py3Dmol/rdkit.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "from rdkit import Chem\n",
    "from rdkit.Chem import AllChem\n",
    "import py3Dmol"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
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       "$3Dmolpromise.done(function() {\n",
       "var viewer = $3Dmol.createViewer($(\"#3dmolviewer_146289908931\"),{backgroundColor:\"white\"});\n",
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0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8682    0.6201    0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7074   -0.4733    1.1165 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4723   -0.7917    1.5829 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3579   -0.1603    1.1152 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4721    0.8600    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7444    1.3320   -0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2781    1.5359   -0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1987    0.8015   -0.7447 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9536    1.3401   -0.6415 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7800    2.6266   -0.3141 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8472    3.4215   -0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1159    2.8697    0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8094    0.5992   -1.0609 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3527   -0.6017   -0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2183   -1.1960   -1.0214 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6399   -2.3222   -0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3925   -3.0063    0.5326 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.5114   -2.3888    1.1101 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8685   -1.0996    0.7187 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.4495   -0.1633    1.7335 C   0  0  0  0 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0  0  0  0  0  0  0  0  0  0  0\\n   -9.1229    2.0898   -0.6827 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7828    1.3524   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7185    0.3797   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8714    0.6230    0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7113   -0.4625    1.1264 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4652   -0.7991    1.5697 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3594   -0.1679    1.1128 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4781    0.8668    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7469    1.3185   -0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2714    1.5257   -0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2045    0.8109   -0.7106 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9349    1.3194   -0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7943    2.6589   -0.3182 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8372    3.4189   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1211    2.8808    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8139    0.6192   -1.0679 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3493   -0.6133   -0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2240   -1.1943   -1.0149 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6410   -2.3284   -0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3892   -3.0080    0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.5035   -2.3906    1.1228 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8707   -1.1001    0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.4624   -0.1801    1.7360 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7870   -2.4703   -0.4016 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6288   -1.3568   -0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2125   -0.5106   -1.5964 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9020   -1.0721   -0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4831    0.1892   -0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8609    0.3416   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6420   -0.7697    0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0427   -1.9350    0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6589   -2.0900    0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9664   -0.9294   -0.5488 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9590    0.0444   -0.1611 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0841    0.1922    1.2856 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2049    1.1892    1.5962 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9855    1.5550    0.3948 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1249    2.0888   -0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7858    1.3473   -0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7211    0.3886   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8719    0.6233    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7107   -0.4621    1.1275 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4665   -0.8001    1.5692 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3589   -0.1675    1.1114 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4774    0.8655    0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7474    1.3180   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2737    1.5298   -0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2002    0.8050   -0.7106 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9420    1.3325   -0.6772 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7898    2.6520   -0.3218 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8410    3.4220   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1199    2.8797    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8095    0.6143   -1.0693 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3518   -0.6099   -0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2231   -1.1955   -1.0145 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6424   -2.3277   -0.4170 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3884   -3.0085    0.5448 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.5032   -2.3901    1.1238 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8701   -1.1020    0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.4638   -0.1811    1.7361 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7876   -2.4705   -0.4016 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6270   -1.3546   -0.7473 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2139   -0.5113   -1.5963 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9023   -1.0726   -0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4833    0.1892   -0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8607    0.3413   -0.1878 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6422   -0.7699    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0425   -1.9355    0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6587   -2.0904    0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9658   -0.9299   -0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9595    0.0444   -0.1608 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0841    0.1924    1.2855 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2057    1.1893    1.5961 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9859    1.5554    0.3954 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1248    2.0890   -0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7861    1.3466   -0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7215    0.3893   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8737    0.6247    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7091   -0.4596    1.1322 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4705   -0.8040    1.5665 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3575   -0.1671    1.1056 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4758    0.8620    0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7495    1.3147   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2789    1.5406   -0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1881    0.7893   -0.7056 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9602    1.3695   -0.6735 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7779    2.6355   -0.3339 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8512    3.4314   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1173    2.8778    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7969    0.6017   -1.0737 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3598   -0.6007   -0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2206   -1.1991   -1.0128 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6470   -2.3260   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3853   -3.0098    0.5498 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.5008   -2.3889    1.1289 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8691   -1.1076    0.7222 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.4707   -0.1866    1.7362 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7889   -2.4702   -0.4026 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6203   -1.3465   -0.7478 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2198   -0.5130   -1.5978 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9024   -1.0736   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4839    0.1885   -0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8604    0.3397   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6429   -0.7710    0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0413   -1.9381    0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6577   -2.0927    0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9633   -0.9321   -0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9618    0.0438   -0.1596 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0844    0.1933    1.2854 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2096    1.1898    1.5959 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9876    1.5579    0.3979 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1244    2.0895   -0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7873    1.3437   -0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7237    0.3930   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8739    0.6248    0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7097   -0.4590    1.1328 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4698   -0.8043    1.5658 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3579   -0.1681    1.1054 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4764    0.8629    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7495    1.3138   -0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2767    1.5376   -0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1906    0.7934   -0.7023 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9547    1.3616   -0.6780 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7813    2.6418   -0.3330 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8487    3.4300   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1185    2.8793    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7996    0.6058   -1.0734 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3586   -0.6033   -0.4827 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2215   -1.1986   -1.0126 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6466   -2.3267   -0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3851   -3.0095    0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4999   -2.3892    1.1298 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8698   -1.1068    0.7223 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.4720   -0.1879    1.7361 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7882   -2.4695   -0.4032 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6206   -1.3465   -0.7464 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2202   -0.5125   -1.5990 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9019   -1.0732   -0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4841    0.1881   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8605    0.3394   -0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6426   -0.7712    0.1225 C   0  0  0  0  0  0  0  0  0 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0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8742    0.6250    0.2661 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7102   -0.4584    1.1334 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4694   -0.8046    1.5652 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3582   -0.1690    1.1050 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4767    0.8634    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7495    1.3130   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2756    1.5361   -0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1917    0.7956   -0.6998 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9519    1.3577   -0.6809 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7831    2.6456   -0.3330 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8474    3.4295   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1191    2.8802    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8009    0.6080   -1.0734 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3582   -0.6047   -0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2221   -1.1984   -1.0124 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6464   -2.3272   -0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3848   -3.0093    0.5514 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4992   -2.3894    1.1307 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8703   -1.1066    0.7224 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.4734   -0.1890    1.7360 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7876   -2.4690   -0.4037 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6205   -1.3461   -0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2206   -0.5121   -1.6000 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9014   -1.0729   -0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4842    0.1879   -0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8606    0.3390   -0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6424   -0.7714    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0409   -1.9391    0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6575   -2.0938    0.5039 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9634   -0.9325   -0.5449 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9622    0.0428   -0.1594 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0848    0.1940    1.2856 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2106    1.1898    1.5963 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9883    1.5591    0.3979 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1245    2.0895   -0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7877    1.3429   -0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7247    0.3944   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8749    0.6254    0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7114   -0.4565    1.1355 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4685   -0.8058    1.5634 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3590   -0.1713    1.1033 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4775    0.8643    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7498    1.3106   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2733    1.5335   -0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1926    0.7993   -0.6927 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9469    1.3521   -0.6877 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7863    2.6535   -0.3346 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8453    3.4292   -0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1204    2.8822    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8028    0.6125   -1.0738 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3577   -0.6074   -0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2235   -1.1981   -1.0116 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6462   -2.3282   -0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3835   -3.0089    0.5541 C   0  0  0  0 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0  0  0  0  0  0  0  0  0  0  0\\n   -8.0854    0.1950    1.2859 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2123    1.1897    1.5968 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9892    1.5610    0.3982 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1246    2.0897   -0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7885    1.3414   -0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7262    0.3968   -0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8773    0.6265    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7128   -0.4518    1.1418 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4698   -0.8099    1.5586 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3597   -0.1760    1.0967 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4778    0.8626    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7512    1.3047   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2743    1.5388   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1833    0.7927   -0.6792 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9547    1.3728   -0.6930 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7816    2.6531   -0.3476 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8502    3.4364   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1197    2.8832    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7959    0.6092   -1.0767 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3628   -0.6049   -0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2248   -1.2002   -1.0092 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6485   -2.3283   -0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3785   -3.0084    0.5622 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4920   -2.3883    1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8728   -1.1113    0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.4918   -0.2023    1.7349 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7844   -2.4651   -0.4073 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6152   -1.3367   -0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2281   -0.5113   -1.6087 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8985   -1.0717   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4857    0.1851   -0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8616    0.3342   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6411   -0.7739    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0382   -1.9455    0.5901 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6548   -2.0992    0.4932 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9634   -0.9364   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9657    0.0379   -0.1573 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0871    0.1975    1.2869 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2175    1.1898    1.5980 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9918    1.5660    0.3996 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1246    2.0902   -0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7908    1.3368   -0.7905 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7311    0.4038   -0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8774    0.6266    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7131   -0.4514    1.1423 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4698   -0.8102    1.5583 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3599   -0.1767    1.0963 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4781    0.8628    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7512    1.3042   -0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2728    1.5370   -0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1849    0.7953   -0.6770 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9513    1.3684   -0.6955 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7837    2.6570   -0.3475 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8488    3.4358   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1204    2.8841    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7975    0.6116   -1.0764 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3623   -0.6064   -0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2253   -1.2000   -1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6484   -2.3286   -0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3782   -3.0081    0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4914   -2.3885    1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8733   -1.1110    0.7248 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.4931   -0.2033    1.7347 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7841   -2.4646   -0.4076 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6151   -1.3365   -0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2283   -0.5111   -1.6094 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8982   -1.0714   -0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4858    0.1849   -0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8617    0.3339   -0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6411   -0.7742    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0380   -1.9459    0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6546   -2.0996    0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9635   -0.9367   -0.5385 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9660    0.0376   -0.1571 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0872    0.1978    1.2871 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2179    1.1898    1.5981 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9920    1.5664    0.3998 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1246    2.0902   -0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7910    1.3364   -0.7905 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7316    0.4044   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8776    0.6267    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7134   -0.4510    1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4698   -0.8105    1.5579 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3600   -0.1774    1.0958 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4783    0.8629    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7513    1.3036   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2718    1.5359   -0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1855    0.7968   -0.6752 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9493    1.3661   -0.6972 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7849    2.6596   -0.3479 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8480    3.4356   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1207    2.8847    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7983    0.6131   -1.0762 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3622   -0.6072   -0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2258   -1.2000   -1.0090 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6483   -2.3288   -0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3778   -3.0079    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4908   -2.3885    1.1437 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8737   -1.1109    0.7249 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.4946   -0.2042    1.7345 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7839   -2.4642   -0.4079 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6150   -1.3362   -0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2286   -0.5110   -1.6101 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8979   -1.0712   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4859    0.1847   -0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8618    0.3335   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6411   -0.7744    0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0377   -1.9464    0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6544   -2.0999    0.4918 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9637   -0.9370   -0.5381 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9663    0.0373   -0.1569 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0874    0.1980    1.2872 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2184    1.1899    1.5982 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9922    1.5669    0.3999 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1246    2.0903   -0.6758 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7912    1.3360   -0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7322    0.4052   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8790    0.6274    0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7157   -0.4472    1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4704   -0.8132    1.5546 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3615   -0.1831    1.0908 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4795    0.8623    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7518    1.2990   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2668    1.5315   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1864    0.8042   -0.6609 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9405    1.3585   -0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7903    2.6748   -0.3548 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8450    3.4373   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1224    2.8883    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8011    0.6207   -1.0754 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3630   -0.6117   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2289   -1.2002   -1.0076 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6486   -2.3296   -0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3735   -3.0057    0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4856   -2.3882    1.1508 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8767   -1.1118    0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5085   -0.2127    1.7327 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7820   -2.4609   -0.4098 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6129   -1.3326   -0.7359 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2313   -0.5101   -1.6159 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8955   -1.0696   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4870    0.1830   -0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8626    0.3302   -0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6408   -0.7770    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0355   -1.9506    0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6523   -2.1030    0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9652   -0.9401   -0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9692    0.0345   -0.1549 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0891    0.2002    1.2887 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2226    1.1900    1.5995 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9940    1.5710    0.4011 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1244    2.0908   -0.6746 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7935    1.3319   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7373    0.4119   -0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8791    0.6275    0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7158   -0.4469    1.1474 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4708   -0.8135    1.5544 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3616   -0.1835    1.0902 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4792    0.8617    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7519    1.2988   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2677    1.5332   -0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1843    0.8019   -0.6608 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9435    1.3637   -0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7885    2.6725   -0.3568 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8465    3.4387   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1219    2.8878    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7993    0.6188   -1.0756 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3639   -0.6105   -0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2288   -1.2006   -1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6488   -2.3293   -0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3730   -3.0056    0.5714 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4854   -2.3879    1.1515 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8767   -1.1126    0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5099   -0.2134    1.7325 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7820   -2.4608   -0.4098 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6125   -1.3319   -0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2315   -0.5103   -1.6162 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8955   -1.0697   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4871    0.1829   -0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8628    0.3298   -0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6408   -0.7772    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0353   -1.9510    0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6521   -2.1032    0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9654   -0.9404   -0.5335 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9695    0.0343   -0.1546 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0892    0.2004    1.2889 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2230    1.1901    1.5996 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9941    1.5714    0.4012 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1244    2.0908   -0.6745 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7937    1.3315   -0.7908 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7378    0.4125   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8793    0.6275    0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7159   -0.4466    1.1478 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4711   -0.8137    1.5542 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3617   -0.1839    1.0897 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4791    0.8612    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7519    1.2985   -0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2681    1.5342   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1831    0.8008   -0.6603 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9450    1.3667   -0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7876    2.6716   -0.3582 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8474    3.4396   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1216    2.8876    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7984    0.6179   -1.0756 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3646   -0.6100   -0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2289   -1.2009   -1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6490   -2.3291   -0.4113 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3725   -3.0054    0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4850   -2.3876    1.1521 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8768   -1.1131    0.7266 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5113   -0.2141    1.7323 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7820   -2.4607   -0.4099 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6122   -1.3313   -0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2318   -0.5103   -1.6165 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8954   -1.0697   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4872    0.1828   -0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8629    0.3295   -0.2083 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6408   -0.7775    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0351   -1.9514    0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6518   -2.1034    0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9656   -0.9407   -0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9698    0.0340   -0.1544 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0894    0.2005    1.2890 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2233    1.1901    1.5998 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9943    1.5717    0.4014 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1244    2.0909   -0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7939    1.3311   -0.7908 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7384    0.4131   -0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8805    0.6282    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7174   -0.4438    1.1510 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4736   -0.8163    1.5519 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3627   -0.1886    1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4787    0.8578    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7521    1.2955   -0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2691    1.5392   -0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1753    0.7954   -0.6530 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9523    1.3846   -0.7039 C   0  0  0  0 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0  0  0  0  0  0  0  0  0  0  0\\n   -2.8942   -1.0693   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4881    0.1818   -0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8641    0.3262   -0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6408   -0.7802    0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0330   -1.9553    0.5764 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6495   -2.1054    0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9679   -0.9441   -0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9728    0.0317   -0.1522 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0910    0.2024    1.2908 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2269    1.1904    1.6010 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9956    1.5754    0.4025 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1241    2.0915   -0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7961    1.3273   -0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7435    0.4195   -0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8805    0.6283    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7177   -0.4436    1.1512 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4736   -0.8164    1.5517 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3629   -0.1892    1.0846 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4790    0.8580    0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7521    1.2952   -0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2678    1.5373   -0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1769    0.7980   -0.6513 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9491    1.3800   -0.7058 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7852    2.6735   -0.3702 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8508    3.4460   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1206    2.8880    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7942    0.6164   -1.0747 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3687   -0.6088   -0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2307   -1.2025   -1.0060 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6501   -2.3281   -0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3674   -3.0031    0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4809   -2.3860    1.1589 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8787   -1.1166    0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5265   -0.2218    1.7300 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7813   -2.4583   -0.4108 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6094   -1.3269   -0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2336   -0.5105   -1.6208 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8939   -1.0691   -0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4882    0.1816   -0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8642    0.3259   -0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6408   -0.7805    0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0328   -1.9557    0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6493   -2.1056    0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9682   -0.9444   -0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9731    0.0315   -0.1520 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0911    0.2025    1.2909 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2272    1.1904    1.6012 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9958    1.5757    0.4026 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1241    2.0915   -0.6732 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7963    1.3269   -0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7440    0.4201   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8806    0.6283    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7180   -0.4433    1.1515 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4737   -0.8166    1.5515 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3631   -0.1898    1.0843 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4791    0.8580    0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7520    1.2949   -0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2670    1.5364   -0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1775    0.7994   -0.6501 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9474    1.3777   -0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7863    2.6757   -0.3705 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8501    3.4459   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1208    2.8885    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7950    0.6177   -1.0743 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3685   -0.6096   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2311   -1.2024   -1.0059 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6500   -2.3282   -0.4093 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3671   -3.0027    0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4805   -2.3860    1.1594 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8791   -1.1164    0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5279   -0.2225    1.7298 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7812   -2.4580   -0.4110 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6094   -1.3268   -0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2336   -0.5104   -1.6214 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8937   -1.0689   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4884    0.1815   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8643    0.3256   -0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6409   -0.7808    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0326   -1.9560    0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6491   -2.1058    0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9685   -0.9448   -0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9734    0.0312   -0.1517 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0913    0.2027    1.2911 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2275    1.1905    1.6013 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9959    1.5761    0.4027 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1240    2.0916   -0.6731 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7965    1.3265   -0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7445    0.4208   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8813    0.6291    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7204   -0.4409    1.1535 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4748   -0.8186    1.5495 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3648   -0.1952    1.0810 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4797    0.8569    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7517    1.2921   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2621    1.5313   -0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1795    0.8075   -0.6399 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9382    1.3674   -0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7922    2.6903   -0.3760 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8470    3.4471   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1222    2.8914    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7985    0.6255   -1.0717 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3688   -0.6141   -0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2342   -1.2022   -1.0050 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6495   -2.3283   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3634   -2.9997    0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4765   -2.3854    1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8821   -1.1166    0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5414   -0.2294    1.7273 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7799   -2.4552   -0.4123 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6086   -1.3253   -0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2338   -0.5095   -1.6261 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8920   -1.0674   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4896    0.1804   -0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8656    0.3228   -0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6411   -0.7838    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0306   -1.9596    0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6472   -2.1078    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9713   -0.9482   -0.5245 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9762    0.0290   -0.1494 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0928    0.2044    1.2929 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2307    1.1908    1.6026 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9970    1.5794    0.4038 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1237    2.0921   -0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7985    1.3230   -0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7495    0.4269   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8813    0.6291    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7204   -0.4408    1.1537 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4753   -0.8189    1.5494 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3649   -0.1955    1.0805 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4794    0.8562    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7517    1.2921   -0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2632    1.5332   -0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1774    0.8051   -0.6400 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9414    1.3728   -0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7903    2.6877   -0.3780 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8486    3.4485   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1216    2.8908    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7967    0.6235   -1.0717 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3698   -0.6128   -0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2341   -1.2026   -1.0049 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6497   -2.3280   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3629   -2.9996    0.5865 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4764   -2.3851    1.1655 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8821   -1.1173    0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5427   -0.2300    1.7271 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7800   -2.4552   -0.4123 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6082   -1.3247   -0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2340   -0.5097   -1.6262 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8920   -1.0675   -0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4896    0.1804   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8658    0.3224   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6411   -0.7841    0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0304   -1.9600    0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6469   -2.1079    0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9716   -0.9486   -0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9765    0.0288   -0.1492 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0930    0.2045    1.2931 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2310    1.1908    1.6028 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9971    1.5798    0.4039 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1237    2.0921   -0.6719 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7987    1.3226   -0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7500    0.4275   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8814    0.6292    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7205   -0.4406    1.1539 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4756   -0.8191    1.5492 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3650   -0.1959    1.0801 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4792    0.8557    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7517    1.2919   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2636    1.5342   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1762    0.8039   -0.6398 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9430    1.3759   -0.7110 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7894    2.6865   -0.3794 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8495    3.4495   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1213    2.8906    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7957    0.6225   -1.0716 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3704   -0.6121   -0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2341   -1.2029   -1.0048 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6499   -2.3277   -0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3624   -2.9994    0.5871 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4761   -2.3848    1.1660 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8821   -1.1178    0.7299 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5441   -0.2305    1.7269 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7801   -2.4551   -0.4123 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6079   -1.3242   -0.7372 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2340   -0.5098   -1.6264 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8920   -1.0676   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4897    0.1803   -0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8660    0.3222   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6412   -0.7844    0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0303   -1.9603    0.5693 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6467   -2.1080    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9719   -0.9489   -0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9768    0.0286   -0.1490 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0931    0.2047    1.2933 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2313    1.1909    1.6029 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9972    1.5801    0.4040 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1236    2.0922   -0.6719 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.7989    1.3223   -0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7505    0.4281   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8821    0.6300    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7218   -0.4388    1.1555 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4787   -0.8214    1.5477 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3659   -0.2000    1.0766 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4785    0.8520    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7513    1.2903   -0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2649    1.5393   -0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1691    0.7979   -0.6353 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9508    1.3938   -0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7849    2.6829   -0.3907 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8547    3.4563   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1195    2.8896    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7899    0.6180   -1.0700 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3748   -0.6090   -0.4806 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2351   -1.2045   -1.0037 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6510   -2.3260   -0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3582   -2.9971    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4736   -2.3829    1.1711 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8834   -1.1212    0.7314 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5576   -0.2365    1.7246 C   0  0  0  0 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0  0  0  0  0  0  0  0  0  0  0\\n   -9.1232    2.0927   -0.6709 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8008    1.3188   -0.7917 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7553    0.4341   -0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8821    0.6301    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7222   -0.4386    1.1556 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4786   -0.8215    1.5475 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3661   -0.2006    1.0765 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4788    0.8522    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7512    1.2901   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2636    1.5373   -0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1708    0.8007   -0.6338 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9474    1.3887   -0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7870    2.6868   -0.3903 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8532    3.4556   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1201    2.8904    0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7916    0.6205   -1.0694 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3742   -0.6105   -0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2356   -1.2042   -1.0036 C   0  0 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  0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9754   -0.9529   -0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9798    0.0265   -0.1464 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0947    0.2063    1.2954 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2344    1.1913    1.6043 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9982    1.5836    0.4051 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1232    2.0927   -0.6708 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8010    1.3184   -0.7917 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7557    0.4346   -0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8822    0.6305    0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7233   -0.4379    1.1559 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4789   -0.8222    1.5468 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3669   -0.2027    1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4791    0.8523    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7509    1.2893   -0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2606    1.5333   -0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1736    0.8065   -0.6296 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9406    1.3787   -0.7127 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7914    2.6955   -0.3908 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8505    3.4547   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1212    2.8922    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7948    0.6259   -1.0679 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3734   -0.6136   -0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2370   -1.2036   -1.0033 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6501   -2.3264   -0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3568   -2.9953    0.5955 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4717   -2.3830    1.1735 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8854   -1.1200    0.7318 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5638   -0.2396    1.7232 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7794   -2.4522   -0.4136 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6060   -1.3211   -0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2339   -0.5094   -1.6316 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8907   -1.0665   -0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4916    0.1793   -0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8683    0.3181   -0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6418   -0.7890    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0277   -1.9653    0.5622 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6439   -2.1101    0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9767   -0.9543   -0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9809    0.0257   -0.1455 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0952    0.2069    1.2961 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2354    1.1915    1.6048 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9985    1.5847    0.4055 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1230    2.0929   -0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8017    1.3172   -0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7575    0.4369   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8822    0.6306    0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7234   -0.4378    1.1560 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4792   -0.8224    1.5467 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3670   -0.2031    1.0756 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4790    0.8519    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7508    1.2892   -0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2610    1.5341   -0.2634 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1725    0.8054   -0.6294 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9420    1.3813   -0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7906    2.6946   -0.3921 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8513    3.4556   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1209    2.8919    0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7939    0.6250   -1.0678 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3739   -0.6130   -0.4792 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2371   -1.2038   -1.0031 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6502   -2.3262   -0.4037 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3564   -2.9950    0.5961 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4715   -2.3828    1.1739 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8855   -1.1204    0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5651   -0.2402    1.7230 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7794   -2.4520   -0.4136 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6059   -1.3208   -0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2339   -0.5094   -1.6318 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8907   -1.0665   -0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4917    0.1792   -0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8685    0.3178   -0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6418   -0.7893    0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0275   -1.9656    0.5618 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6437   -2.1102    0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9771   -0.9547   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9811    0.0255   -0.1452 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0953    0.2070    1.2963 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2356    1.1915    1.6050 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9986    1.5850    0.4056 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1230    2.0930   -0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8018    1.3168   -0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7580    0.4374   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8826    0.6315    0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7250   -0.4364    1.1568 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4818   -0.8246    1.5453 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3683   -0.2070    1.0729 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4780    0.8486    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7502    1.2881   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2624    1.5384   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1660    0.8004   -0.6255 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9490    1.3964   -0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7869    2.6919   -0.4022 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8560    3.4616   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1194    2.8911    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7888    0.6214   -1.0657 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3776   -0.6103   -0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2381   -1.2049   -1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6508   -2.3245   -0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3527   -2.9925    0.6016 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4693   -2.3810    1.1786 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8870   -1.1232    0.7335 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5781   -0.2458    1.7206 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7793   -2.4507   -0.4142 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6043   -1.3180   -0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2336   -0.5095   -1.6345 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8903   -1.0664   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4930    0.1788   -0.3172 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8702    0.3152   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6424   -0.7923    0.1198 C   0  0  0  0  0  0  0  0  0 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0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8826    0.6317    0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7255   -0.4361    1.1569 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4820   -0.8249    1.5449 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3685   -0.2081    1.0727 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4785    0.8490    0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7499    1.2878   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2598    1.5351   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1690    0.8050   -0.6229 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9431    1.3880   -0.7112 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7906    2.6982   -0.4016 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8536    3.4605   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1205    2.8924    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7916    0.6256   -1.0647 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3767   -0.6127   -0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2389   -1.2044   -1.0017 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6505   -2.3247   -0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3522   -2.9918    0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4686   -2.3811    1.1795 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8879   -1.1224    0.7336 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.5806   -0.2470    1.7200 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7791   -2.4501   -0.4145 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6044   -1.3183   -0.7417 C   0  0  0  0  0  0 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0  0  0  0  0  0  0  0  0\\n  -10.7634    0.4442   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8830    0.6338    0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7297   -0.4335    1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4859   -0.8291    1.5418 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3717   -0.2170    1.0690 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4777    0.8455    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7483    1.2856   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2560    1.5320   -0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1663    0.8106   -0.6106 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9389    1.3855   -0.7137 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7950    2.7124   -0.4145 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8544    3.4658   -0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1210    2.8949    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7916    0.6322   -1.0587 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3794   -0.6156   -0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2429   -1.2043   -0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6499   -2.3229   -0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3456   -2.9857    0.6135 C   0  0  0  0 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0  0  0  0  0  0  0  0  0  0  0\\n   -8.0996    0.2114    1.3025 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2435    1.1932    1.6092 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0008    1.5947    0.4089 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1213    2.0944   -0.6674 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8074    1.3062   -0.7924 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7724    0.4558   -0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8830    0.6339    0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7297   -0.4334    1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4864   -0.8293    1.5417 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3717   -0.2172    1.0688 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4776    0.8450    0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7481    1.2856   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2563    1.5330   -0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1655    0.8091   -0.6105 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9402    1.3890   -0.7127 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7941    2.7108   -0.4158 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8553    3.4668   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1207    2.8945    0.0379 C   0  0 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  0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6440   -0.7998    0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0226   -1.9760    0.5472 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6383   -2.1140    0.4460 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9888   -0.9673   -0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9900    0.0193   -0.1374 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0997    0.2115    1.3027 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2437    1.1932    1.6093 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0009    1.5949    0.4090 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1212    2.0944   -0.6674 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8075    1.3059   -0.7924 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7728    0.4563   -0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8831    0.6341    0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7298   -0.4333    1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4871   -0.8297    1.5414 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3717   -0.2176    1.0685 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4776    0.8444    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7480    1.2856   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2564    1.5339   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1647    0.8079   -0.6101 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9412    1.3922   -0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7935    2.7096   -0.4173 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8563    3.4678   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1205    2.8943    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7898    0.6301   -1.0581 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3807   -0.6141   -0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2429   -1.2047   -0.9988 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6503   -2.3221   -0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3446   -2.9851    0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4633   -2.3781    1.1897 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8930   -1.1251    0.7366 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.6101   -0.2602    1.7141 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7783   -2.4462   -0.4167 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6024   -1.3148   -0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2315   -0.5080   -1.6426 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8891   -1.0646   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4968    0.1772   -0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8749    0.3089   -0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6442   -0.8002    0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0224   -1.9765    0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6380   -2.1141    0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9894   -0.9679   -0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9904    0.0190   -0.1370 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0999    0.2117    1.3030 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2440    1.1933    1.6095 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0009    1.5954    0.4091 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1211    2.0945   -0.6672 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8078    1.3054   -0.7924 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7734    0.4572   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8832    0.6352    0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7311   -0.4326    1.1574 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4899   -0.8318    1.5401 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3726   -0.2210    1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4773    0.8423    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7469    1.2852   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2554    1.5349   -0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1626    0.8067   -0.6060 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9421    1.3985   -0.7105 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7937    2.7108   -0.4242 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8587    3.4715   -0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1204    2.8944    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7878    0.6300   -1.0554 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3829   -0.6131   -0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2439   -1.2050   -0.9972 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6507   -2.3204   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3416   -2.9825    0.6196 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4617   -2.3766    1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8949   -1.1266    0.7379 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.6221   -0.2654    1.7117 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7784   -2.4451   -0.4174 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6012   -1.3128   -0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2308   -0.5078   -1.6448 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8893   -1.0646   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4984    0.1768   -0.3298 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8770    0.3065   -0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6450   -0.8033    0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0213   -1.9793    0.5427 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6367   -2.1149    0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9930   -0.9716   -0.5024 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9929    0.0173   -0.1348 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1010    0.2129    1.3048 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2460    1.1939    1.6108 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0014    1.5981    0.4101 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1205    2.0949   -0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8092    1.3023   -0.7925 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7773    0.4624   -0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8832    0.6355    0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7318   -0.4324    1.1573 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4900   -0.8323    1.5396 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3732   -0.2221    1.0669 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4771    0.8423    0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7467    1.2851   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2548    1.5335   -0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1628    0.8088   -0.6044 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9406    1.3950   -0.7115 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7950    2.7142   -0.4249 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8581    3.4714   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1208    2.8950    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7886    0.6320   -1.0545 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3827   -0.6141   -0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2445   -1.2046   -0.9969 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6503   -2.3204   -0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3410   -2.9817    0.6209 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4612   -2.3765    1.1947 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8957   -1.1264    0.7382 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.6251   -0.2668    1.7110 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7781   -2.4445   -0.4178 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6014   -1.3131   -0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2303   -0.5073   -1.6458 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8891   -1.0642   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.4989    0.1765   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8775    0.3059   -0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6453   -0.8041    0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0210   -1.9800    0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6365   -2.1152    0.4398 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -6.9939   -0.9725   -0.5015 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9936    0.0168   -0.1342 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1013    0.2132    1.3053 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2465    1.1940    1.6111 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0015    1.5988    0.4103 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1203    2.0950   -0.6662 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8096    1.3015   -0.7925 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7783    0.4637   -0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8831    0.6384    0.2677 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7361   -0.4307    1.1560 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4958   -0.8376    1.5359 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3765   -0.2307    1.0642 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4755    0.8376    0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7441    1.2847   -0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2535    1.5356   -0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1566    0.8062   -0.5941 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9436    1.4087   -0.7084 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7955    2.7182   -0.4414 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8642    3.4801   -0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1207    2.8954    0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7841    0.6325   -1.0472 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3873   -0.6122   -0.4697 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2476   -1.2044   -0.9925 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6501   -2.3165   -0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3339   -2.9747    0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4572   -2.3731    1.2045 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9009   -1.1298    0.7417 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.6555   -0.2803    1.7049 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7776   -2.4413   -0.4201 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5997   -1.3093   -0.7545 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2278   -0.5059   -1.6521 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8894   -1.0637   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5035    0.1751   -0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8831    0.2999   -0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6477   -0.8119    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0185   -1.9870    0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6335   -2.1174    0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0034   -0.9821   -0.4930 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0000    0.0124   -0.1284 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1042    0.2162    1.3100 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2514    1.1955    1.6143 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0024    1.6057    0.4128 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1185    2.0959   -0.6641 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8132    1.2936   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7880    0.4770   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8831    0.6387    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7365   -0.4307    1.1558 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4964   -0.8381    1.5355 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3766   -0.2316    1.0642 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4760    0.8381    0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7437    1.2846   -0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2515    1.5324   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1588    0.8107   -0.5920 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9392    1.4002   -0.7108 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7987    2.7243   -0.4409 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8623    3.4789   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1216    2.8967    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7863    0.6365   -1.0464 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3867   -0.6143   -0.4685 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2481   -1.2039   -0.9922 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6501   -2.3165   -0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3334   -2.9739    0.6342 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4567   -2.3731    1.2053 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9017   -1.1291    0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.6580   -0.2816    1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7776   -2.4407   -0.4205 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5997   -1.3096   -0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2274   -0.5055   -1.6529 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8895   -1.0634   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5040    0.1749   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8836    0.2994   -0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6480   -0.8126    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0183   -1.9876    0.5311 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6334   -2.1178    0.4277 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0042   -0.9830   -0.4923 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0005    0.0120   -0.1279 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1045    0.2165    1.3104 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2518    1.1957    1.6146 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0024    1.6063    0.4130 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1183    2.0959   -0.6639 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8135    1.2929   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7888    0.4781   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8830    0.6398    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7381   -0.4303    1.1548 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4984   -0.8401    1.5340 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3780   -0.2345    1.0636 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4751    0.8366    0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7428    1.2849   -0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2520    1.5339   -0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1555    0.8089   -0.5889 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9423    1.4064   -0.7089 C   0  0  0  0 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C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8830    0.6399    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7382   -0.4303    1.1547 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.4986   -0.8403    1.5339 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3780   -0.2348    1.0636 C   0  0 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  0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9039   -1.1303    0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.6698   -0.2870    1.7019 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7775   -2.4394   -0.4215 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5992   -1.3084   -0.7570 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2262   -0.5047   -1.6552 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8899   -1.0632   -0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5062    0.1742   -0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8861    0.2970   -0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6493   -0.8157    0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0175   -1.9904    0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6325   -2.1187    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0081   -0.9869   -0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0031    0.0102   -0.1256 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1055    0.2177    1.3123 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2536    1.1964    1.6159 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0026    1.6090    0.4140 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1175    2.0963   -0.6630 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8149    1.2897   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7924    0.4833   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8830    0.6411    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7396   -0.4301    1.1537 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5008   -0.8422    1.5323 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3788   -0.2378    1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4757    0.8363    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7415    1.2850   -0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2478    1.5294   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1592    0.8147   -0.5830 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9343    1.3975   -0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8041    2.7340   -0.4495 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8638    3.4824   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1235    2.8987    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7871    0.6422   -1.0402 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3884   -0.6154   -0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2503   -1.2023   -0.9883 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6496   -2.3134   -0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3286   -2.9684    0.6431 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4543   -2.3709    1.2123 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9063   -1.1303    0.7443 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.6802   -0.2920    1.6998 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7774   -2.4381   -0.4224 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5989   -1.3075   -0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2251   -0.5038   -1.6573 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8904   -1.0631   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5082    0.1735   -0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8884    0.2948   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6504   -0.8186    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0169   -1.9928    0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6318   -2.1195    0.4193 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0116   -0.9904   -0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0054    0.0086   -0.1235 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1065    0.2187    1.3141 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2551    1.1970    1.6171 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0027    1.6115    0.4149 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1166    2.0965   -0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8161    1.2869   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7955    0.4880   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8830    0.6412    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7398   -0.4301    1.1536 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5010   -0.8425    1.5322 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3791   -0.2380    1.0631 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4754    0.8360    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7415    1.2851   -0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2488    1.5307   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1575    0.8131   -0.5832 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9368    1.4009   -0.7108 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8027    2.7322   -0.4507 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8651    3.4833   -0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1231    2.8983    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7858    0.6408   -1.0401 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3889   -0.6145   -0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2503   -1.2024   -0.9881 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6497   -2.3132   -0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3283   -2.9682    0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4543   -2.3707    1.2126 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9064   -1.1307    0.7445 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.6813   -0.2925    1.6996 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7774   -2.4380   -0.4225 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5988   -1.3074   -0.7594 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2250   -0.5037   -1.6575 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8905   -1.0631   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5084    0.1734   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8886    0.2946   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6505   -0.8188    0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0168   -1.9930    0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6317   -2.1196    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0120   -0.9908   -0.4855 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0056    0.0084   -0.1233 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1066    0.2188    1.3142 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2552    1.1971    1.6172 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0027    1.6117    0.4150 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1166    2.0966   -0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8162    1.2866   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7959    0.4884   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6418    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7406   -0.4300    1.1530 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5018   -0.8435    1.5315 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3799   -0.2392    1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4743    0.8348    0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7412    1.2855   -0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2512    1.5340   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1529    0.8089   -0.5830 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9433    1.4105   -0.7077 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7996    2.7281   -0.4548 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8687    3.4862   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1222    2.8973    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7823    0.6376   -1.0391 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3907   -0.6122   -0.4642 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2503   -1.2024   -0.9871 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6497   -2.3122   -0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3272   -2.9671    0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4540   -2.3700    1.2142 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9070   -1.1320    0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.6864   -0.2948    1.6986 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7774   -2.4375   -0.4229 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5987   -1.3068   -0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2245   -0.5033   -1.6585 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8908   -1.0631   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5095    0.1731   -0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8898    0.2935   -0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6511   -0.8202    0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0165   -1.9942    0.5222 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6314   -2.1200    0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0137   -0.9925   -0.4840 C   0  0  0  0  0  0  0  0  0 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34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8830    0.6424    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7412   -0.4300    1.1525 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5030   -0.8444    1.5307 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3801   -0.2407    1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4754    0.8353    0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7405    1.2855   -0.2159 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2469    1.5291   -0.2149 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1583    0.8151   -0.5791 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9339    1.3993   -0.7114 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8056    2.7367   -0.4544 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8657    3.4848   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1242    2.8993    0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7864    0.6436   -1.0372 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3896   -0.6151   -0.4625 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2512   -1.2015   -0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6494   -2.3117   -0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3262   -2.9656    0.6476 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4532   -2.3698    1.2157 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9086   -1.1312    0.7456 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.6913   -0.2973    1.6976 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7773   -2.4368   -0.4234 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5986   -1.3064   -0.7615 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2239   -0.5029   -1.6595 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8910   -1.0631   -0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5105    0.1727   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8910    0.2924   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6517   -0.8216    0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0163   -1.9954    0.5206 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6312   -2.1205    0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0155   -0.9943   -0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0079    0.0069   -0.1212 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1075    0.2198    1.3159 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2567    1.1978    1.6184 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0028    1.6141    0.4159 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1157    2.0969   -0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8173    1.2837   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7988    0.4930   -0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6425    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7414   -0.4300    1.1524 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5032   -0.8446    1.5306 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3803   -0.2409    1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4750    0.8350    0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7405    1.2856   -0.2159 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2479    1.5304   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1565    0.8135   -0.5793 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9365    1.4027   -0.7103 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8042    2.7350   -0.4555 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8669    3.4856   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1238    2.8989    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7852    0.6423   -1.0371 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3901   -0.6142   -0.4625 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2511   -1.2016   -0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6494   -2.3114   -0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3260   -2.9654    0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4532   -2.3696    1.2160 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9086   -1.1316    0.7458 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.6924   -0.2978    1.6974 C   0  0  0  0 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0  0  0  0  0  0  0  0  0  0  0\\n   -9.1156    2.0969   -0.6613 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8174    1.2835   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.7991    0.4934   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6430    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7422   -0.4299    1.1518 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5040   -0.8456    1.5299 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3811   -0.2420    1.0625 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4740    0.8339    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7402    1.2860   -0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2505    1.5337   -0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1517    0.8094   -0.5792 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9433    1.4118   -0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8010    2.7309   -0.4594 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8706    3.4884   -0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1228    2.8980    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7817    0.6391   -1.0362 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3918   -0.6118   -0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2511   -1.2015   -0.9848 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6494   -2.3104   -0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3248   -2.9643    0.6500 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4530   -2.3689    1.2176 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9092   -1.1328    0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.6974   -0.3000    1.6965 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7774   -2.4362   -0.4238 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5984   -1.3058   -0.7629 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2233   -0.5024   -1.6606 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8915   -1.0631   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5118    0.1723   -0.3554 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8924    0.2911   -0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6525   -0.8232    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0160   -1.9968    0.5188 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6309   -2.1210    0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0175   -0.9963   -0.4806 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0092    0.0059   -0.1200 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1080    0.2203    1.3169 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2575    1.1982    1.6191 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0028    1.6156    0.4164 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1152    2.0970   -0.6610 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8180    1.2821   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8006    0.4956   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6436    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7427   -0.4300    1.1512 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5052   -0.8466    1.5290 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3812   -0.2434    1.0625 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4751    0.8344    0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7395    1.2860   -0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2461    1.5289   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1574    0.8154   -0.5753 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9337    1.4011   -0.7108 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8071    2.7393   -0.4590 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8676    3.4870   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1249    2.8999    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7859    0.6450   -1.0342 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3907   -0.6147   -0.4605 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2520   -1.2006   -0.9839 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6492   -2.3099   -0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3239   -2.9629    0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4523   -2.3688    1.2191 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9108   -1.1320    0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7021   -0.3026    1.6955 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7773   -2.4355   -0.4243 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5983   -1.3054   -0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2228   -0.5019   -1.6616 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8918   -1.0631   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5128    0.1719   -0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8936    0.2900   -0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6531   -0.8246    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0158   -1.9980    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6306   -2.1214    0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0193   -0.9981   -0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0103    0.0051   -0.1190 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1085    0.2208    1.3177 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2581    1.1985    1.6196 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0028    1.6167    0.4169 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1147    2.0972   -0.6606 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8185    1.2807   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8020    0.4979   -0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6437    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7429   -0.4300    1.1511 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5053   -0.8468    1.5289 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3815   -0.2436    1.0624 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4747    0.8341    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7395    1.2861   -0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2472    1.5301   -0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1556    0.8139   -0.5756 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9364    1.4043   -0.7097 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8057    2.7376   -0.4601 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8688    3.4879   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1245    2.8995    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7846    0.6437   -1.0341 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3913   -0.6138   -0.4605 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2519   -1.2006   -0.9836 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6492   -2.3096   -0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3237   -2.9627    0.6524 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4523   -2.3686    1.2194 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9109   -1.1324    0.7472 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7031   -0.3030    1.6953 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7773   -2.4354   -0.4244 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5983   -1.3053   -0.7642 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2227   -0.5018   -1.6617 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8919   -1.0631   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5131    0.1718   -0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8938    0.2898   -0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6532   -0.8249    0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0158   -1.9982    0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6306   -2.1215    0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0196   -0.9984   -0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0105    0.0050   -0.1188 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1086    0.2209    1.3179 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2583    1.1986    1.6198 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0028    1.6170    0.4170 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1146    2.0972   -0.6605 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8186    1.2804   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8023    0.4983   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8828    0.6442    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7437   -0.4300    1.1505 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5061   -0.8478    1.5282 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3823   -0.2447    1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4736    0.8331    0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7393    1.2866   -0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2499    1.5334   -0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1506    0.8099   -0.5755 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9435    1.4131   -0.7066 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8024    2.7337   -0.4639 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8724    3.4906   -0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1236    2.8986    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7811    0.6405   -1.0332 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3930   -0.6115   -0.4601 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2519   -1.2006   -0.9826 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6492   -2.3086   -0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3226   -2.9617    0.6543 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4520   -2.3678    1.2208 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9114   -1.1337    0.7479 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7080   -0.3052    1.6944 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7773   -2.4349   -0.4247 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5981   -1.3048   -0.7653 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2222   -0.5014   -1.6626 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8922   -1.0632   -0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5141    0.1714   -0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8950    0.2887   -0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6539   -0.8262    0.0989 C   0  0  0  0  0  0  0  0  0 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0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6448    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7442   -0.4300    1.1499 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5073   -0.8487    1.5274 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3824   -0.2461    1.0622 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4748    0.8336    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7386    1.2867   -0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2454    1.5286   -0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1566    0.8157   -0.5716 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9335    1.4027   -0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8086    2.7417   -0.4635 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8694    3.4892   -0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1257    2.9006    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7854    0.6464   -1.0313 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3918   -0.6143   -0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2527   -1.1995   -0.9815 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6489   -2.3080   -0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3217   -2.9603    0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4514   -2.3678    1.2223 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9130   -1.1329    0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7126   -0.3077    1.6935 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7773   -2.4342   -0.4252 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5981   -1.3044   -0.7663 C   0  0  0  0  0  0 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0  0  0  0  0  0  0  0  0\\n  -10.8051    0.5027   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6449    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7444   -0.4300    1.1498 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5074   -0.8489    1.5272 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3826   -0.2463    1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4744    0.8333    0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7386    1.2868   -0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2465    1.5299   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1547    0.8142   -0.5719 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9363    1.4058   -0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8072    2.7401   -0.4645 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8707    3.4900   -0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1253    2.9002    0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7841    0.6451   -1.0312 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3924   -0.6134   -0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2527   -1.1996   -0.9813 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6489   -2.3078   -0.3751 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3215   -2.9601    0.6566 C   0  0  0  0 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0  0  0  0  0  0  0  0  0  0  0\\n   -8.1095    0.2220    1.3197 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2596    1.1994    1.6210 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0028    1.6195    0.4180 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1136    2.0975   -0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8198    1.2773   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8053    0.5031   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8828    0.6454    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7452   -0.4300    1.1491 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5082   -0.8499    1.5265 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3835   -0.2473    1.0619 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4734    0.8323    0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7384    1.2873   -0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2494    1.5332   -0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1496    0.8103   -0.5719 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9436    1.4144   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8039    2.7362   -0.4683 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8743    3.4927   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1243    2.8993    0.0441 C   0  0 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  0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6553   -0.8292    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0152   -2.0018    0.5122 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6299   -2.1229    0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0251   -1.0038   -0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0140    0.0025   -0.1156 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1099    0.2224    1.3205 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2602    1.1997    1.6216 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0028    1.6207    0.4184 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1132    2.0976   -0.6593 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8203    1.2760   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8067    0.5052   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6460    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7457   -0.4301    1.1485 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5094   -0.8508    1.5257 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3836   -0.2486    1.0619 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4746    0.8330    0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7377    1.2873   -0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2447    1.5285   -0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1559    0.8161   -0.5681 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9334    1.4042   -0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8101    2.7441   -0.4677 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8713    3.4913   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1265    2.9012    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7850    0.6477   -1.0284 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3929   -0.6139   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2534   -1.1984   -0.9792 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6486   -2.3061   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3196   -2.9577    0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4506   -2.3668    1.2254 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9152   -1.1337    0.7497 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7228   -0.3128    1.6916 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7773   -2.4330   -0.4260 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5979   -1.3034   -0.7687 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2205   -0.4999   -1.6655 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8935   -1.0633   -0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5177    0.1701   -0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8989    0.2852   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6559   -0.8305    0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0151   -2.0029    0.5107 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6298   -2.1233    0.4022 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0268   -1.0055   -0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0151    0.0017   -0.1146 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1103    0.2229    1.3213 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2608    1.2001    1.6221 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0027    1.6218    0.4188 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1127    2.0977   -0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8208    1.2746   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8080    0.5074   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8828    0.6461    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7459   -0.4301    1.1484 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5095   -0.8510    1.5255 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3838   -0.2488    1.0618 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4742    0.8327    0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7377    1.2875   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2459    1.5297   -0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1540    0.8146   -0.5684 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9363    1.4073   -0.7084 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8087    2.7425   -0.4688 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8725    3.4921   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1261    2.9008    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7837    0.6464   -1.0283 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3934   -0.6130   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2533   -1.1985   -0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6486   -2.3059   -0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3194   -2.9575    0.6607 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4506   -2.3666    1.2256 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9152   -1.1341    0.7498 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7238   -0.3132    1.6914 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7773   -2.4328   -0.4260 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5979   -1.3033   -0.7689 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2204   -0.4998   -1.6656 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8936   -1.0633   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5179    0.1700   -0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.8991    0.2850   -0.2661 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6561   -0.8307    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0150   -2.0032    0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6298   -2.1234    0.4019 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0271   -1.0058   -0.4724 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0153    0.0016   -0.1144 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1104    0.2230    1.3214 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2609    1.2001    1.6223 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0027    1.6221    0.4189 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1126    2.0978   -0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8209    1.2743   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8083    0.5078   -0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8828    0.6466    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7467   -0.4302    1.1477 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5102   -0.8520    1.5248 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3847   -0.2498    1.0616 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4731    0.8317    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7376    1.2880   -0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2489    1.5330   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1488    0.8108   -0.5684 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9438    1.4156   -0.7054 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8053    2.7387   -0.4724 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8762    3.4947   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1251    2.9000    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7801    0.6433   -1.0274 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3951   -0.6106   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2532   -1.1983   -0.9778 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6486   -2.3048   -0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3183   -2.9564    0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4504   -2.3659    1.2270 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9157   -1.1354    0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7284   -0.3154    1.6906 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7773   -2.4323   -0.4264 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5978   -1.3029   -0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2200   -0.4994   -1.6664 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8940   -1.0634   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5190    0.1696   -0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9003    0.2839   -0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6567   -0.8321    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0149   -2.0043    0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6296   -2.1238    0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0288   -1.0075   -0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0164    0.0008   -0.1134 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1108    0.2234    1.3222 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2615    1.2005    1.6228 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0027    1.6232    0.4194 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1122    2.0979   -0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8214    1.2730   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8095    0.5099   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6471    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7472   -0.4303    1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5114   -0.8529    1.5240 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3847   -0.2510    1.0616 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4744    0.8324    0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7369    1.2881   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2442    1.5283   -0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1553    0.8164   -0.5646 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9333    1.4057   -0.7089 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8116    2.7463   -0.4719 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8732    3.4933   -0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1274    2.9019    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7846    0.6489   -1.0255 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3939   -0.6134   -0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2540   -1.1973   -0.9768 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6483   -2.3042   -0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3175   -2.9551    0.6643 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4498   -2.3659    1.2284 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9173   -1.1345    0.7510 C   0  0  0  0  0  0  0  0  0 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0  0  0  0  0  0\\n  -10.0026    1.6243    0.4198 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1117    2.0980   -0.6581 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8219    1.2716   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8108    0.5120   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6472    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7473   -0.4303    1.1469 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5115   -0.8531    1.5238 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3849   -0.2512    1.0616 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4740    0.8321    0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7369    1.2882   -0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2454    1.5296   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1533    0.8150   -0.5649 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9363    1.4087   -0.7078 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8102    2.7447   -0.4729 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8744    3.4941   -0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1270    2.9015    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7833    0.6477   -1.0254 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3944   -0.6125   -0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2539   -1.1973   -0.9765 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6483   -2.3040   -0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3173   -2.9549    0.6647 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4498   -2.3657    1.2286 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9174   -1.1350    0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7337   -0.3183    1.6896 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7773   -2.4316   -0.4268 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5978   -1.3024   -0.7712 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2194   -0.4988   -1.6675 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8946   -1.0635   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5203    0.1690   -0.3709 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9018    0.2826   -0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6575   -0.8336    0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0148   -2.0056    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6295   -2.1243    0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0308   -1.0095   -0.4692 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0177   -0.0001   -0.1123 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1113    0.2240    1.3232 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2622    1.2009    1.6235 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0026    1.6245    0.4199 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1116    2.0980   -0.6581 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8220    1.2713   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8111    0.5124   -0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8828    0.6477    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7481   -0.4304    1.1463 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5122   -0.8540    1.5231 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3858   -0.2522    1.0614 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4729    0.8312    0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7369    1.2888   -0.2093 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2485    1.5329   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1480    0.8112   -0.5650 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9440    1.4168   -0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8067    2.7410   -0.4764 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8781    3.4966   -0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1260    2.9007    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7797    0.6446   -1.0246 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3961   -0.6102   -0.4538 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2538   -1.1971   -0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6482   -2.3029   -0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3163   -2.9539    0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4497   -2.3651    1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9179   -1.1362    0.7519 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7381   -0.3204    1.6889 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7774   -2.4310   -0.4271 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5977   -1.3020   -0.7723 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2189   -0.4983   -1.6683 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8950   -1.0636   -0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5215    0.1686   -0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9030    0.2816   -0.2708 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6582   -0.8349    0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0147   -2.0067    0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6294   -2.1248    0.3959 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0325   -1.0111   -0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0187   -0.0008   -0.1113 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1117    0.2244    1.3240 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2627    1.2013    1.6240 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0025    1.6257    0.4203 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1111    2.0982   -0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8225    1.2700   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8123    0.5145   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6482    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7486   -0.4306    1.1456 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5133   -0.8549    1.5223 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3858   -0.2533    1.0614 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4743    0.8319    0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7362    1.2889   -0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2437    1.5282   -0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1547    0.8168   -0.5612 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9333    1.4071   -0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8131    2.7485   -0.4758 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8750    3.4953   -0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1283    2.9026    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7843    0.6502   -1.0226 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3949   -0.6129   -0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2546   -1.1960   -0.9743 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6479   -2.3023   -0.3678 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3155   -2.9526    0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4492   -2.3651    1.2313 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9194   -1.1354    0.7523 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7424   -0.3228    1.6881 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7773   -2.4304   -0.4275 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5977   -1.3016   -0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2184   -0.4978   -1.6691 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8955   -1.0637   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5226    0.1681   -0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9042    0.2805   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6589   -0.8362    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0146   -2.0078    0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6293   -2.1252    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0342   -1.0128   -0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0198   -0.0016   -0.1104 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1121    0.2248    1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2632    1.2017    1.6246 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0025    1.6268    0.4208 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1106    2.0983   -0.6573 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8230    1.2687   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8135    0.5166   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6483    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7487   -0.4306    1.1455 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5134   -0.8551    1.5221 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3861   -0.2535    1.0614 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4739    0.8316    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7362    1.2890   -0.2083 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2450    1.5295   -0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1527    0.8153   -0.5616 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9364    1.4100   -0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8117    2.7469   -0.4768 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8763    3.4961   -0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1279    2.9022    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7830    0.6489   -1.0225 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3954   -0.6121   -0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2545   -1.1961   -0.9741 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6479   -2.3020   -0.3676 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3153   -2.9524    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4492   -2.3649    1.2315 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9195   -1.1358    0.7525 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7432   -0.3232    1.6879 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7773   -2.4303   -0.4276 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5977   -1.3015   -0.7735 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2183   -0.4978   -1.6692 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8956   -1.0637   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5229    0.1680   -0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9045    0.2803   -0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6590   -0.8365    0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0146   -2.0080    0.5043 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6293   -2.1253    0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0345   -1.0131   -0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0200   -0.0017   -0.1102 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1122    0.2249    1.3249 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2634    1.2018    1.6247 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0024    1.6270    0.4209 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1105    2.0983   -0.6572 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8231    1.2684   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8138    0.5170   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6488    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7495   -0.4306    1.1448 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5141   -0.8561    1.5214 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3869   -0.2544    1.0612 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4728    0.8307    0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7362    1.2896   -0.2076 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2482    1.5328   -0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1473    0.8116   -0.5617 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9443    1.4180   -0.7040 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8082    2.7433   -0.4803 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8800    3.4986   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1269    2.9014    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7794    0.6458   -1.0217 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3971   -0.6097   -0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2543   -1.1958   -0.9730 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6479   -2.3009   -0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3143   -2.9514    0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4491   -2.3643    1.2328 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9199   -1.1370    0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7476   -0.3253    1.6872 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7774   -2.4297   -0.4279 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5977   -1.3011   -0.7746 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2178   -0.4973   -1.6700 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8961   -1.0639   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5240    0.1676   -0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9057    0.2792   -0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6597   -0.8378    0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0145   -2.0090    0.5030 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6292   -2.1257    0.3918 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0362   -1.0147   -0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0211   -0.0025   -0.1092 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1125    0.2254    1.3257 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2639    1.2021    1.6253 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0024    1.6281    0.4213 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1100    2.0984   -0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8236    1.2671   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8150    0.5190   -0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8830    0.6493    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7499   -0.4308    1.1442 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5152   -0.8570    1.5206 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3869   -0.2556    1.0612 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4742    0.8314    0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7355    1.2898   -0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2433    1.5281   -0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1542    0.8171   -0.5580 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9334    1.4084   -0.7074 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8147    2.7506   -0.4796 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8769    3.4972   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1293    2.9033    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7841    0.6514   -1.0198 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3958   -0.6124   -0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2551   -1.1947   -0.9718 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6475   -2.3003   -0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3136   -2.9501    0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4485   -2.3643    1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9215   -1.1362    0.7536 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7517   -0.3278    1.6864 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7774   -2.4291   -0.4282 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5977   -1.3008   -0.7756 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2174   -0.4968   -1.6708 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8966   -1.0640   -0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5252    0.1671   -0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9069    0.2781   -0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6604   -0.8390    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0144   -2.0101    0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6291   -2.1262    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0378   -1.0163   -0.4632 C   0  0  0  0  0  0  0  0  0 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34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8830    0.6494    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7501   -0.4308    1.1440 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5153   -0.8572    1.5204 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3872   -0.2557    1.0611 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4738    0.8312    0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7356    1.2899   -0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2446    1.5294   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1521    0.8157   -0.5583 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9365    1.4113   -0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8132    2.7490   -0.4806 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8782    3.4980   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1288    2.9029    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7827    0.6501   -1.0197 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3964   -0.6115   -0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2549   -1.1947   -0.9716 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6476   -2.3001   -0.3651 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3133   -2.9500    0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4485   -2.3641    1.2344 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9215   -1.1366    0.7538 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7526   -0.3282    1.6863 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7774   -2.4290   -0.4282 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5977   -1.3007   -0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2173   -0.4967   -1.6709 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8967   -1.0640   -0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5254    0.1670   -0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9072    0.2779   -0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6606   -0.8393    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0144   -2.0103    0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6291   -2.1263    0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0381   -1.0166   -0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0223   -0.0034   -0.1081 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1130    0.2259    1.3266 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2645    1.2026    1.6259 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0023    1.6294    0.4218 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1095    2.0986   -0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8241    1.2655   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8164    0.5214   -0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8829    0.6499    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7508   -0.4309    1.1433 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5159   -0.8581    1.5197 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3880   -0.2566    1.0610 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4727    0.8304    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7356    1.2905   -0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2479    1.5327   -0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1466    0.8120   -0.5585 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9446    1.4191   -0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8097    2.7454   -0.4840 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8819    3.5004   -0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1278    2.9021    0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7792    0.6471   -1.0189 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3981   -0.6092   -0.4496 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2547   -1.1945   -0.9705 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6475   -2.2990   -0.3641 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3124   -2.9490    0.6741 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4485   -2.3635    1.2356 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9220   -1.1378    0.7545 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7568   -0.3302    1.6856 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7775   -2.4284   -0.4285 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5977   -1.3003   -0.7769 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2168   -0.4962   -1.6717 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8972   -1.0642   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5266    0.1665   -0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9084    0.2768   -0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6613   -0.8406    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0144   -2.0114    0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6291   -2.1267    0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0398   -1.0183   -0.4615 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0233   -0.0041   -0.1071 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1134    0.2263    1.3274 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2649    1.2030    1.6265 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0022    1.6305    0.4223 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1090    2.0987   -0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8246    1.2641   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8176    0.5234   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8830    0.6502    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7511   -0.4311    1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5165   -0.8585    1.5193 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3880   -0.2572    1.0610 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4734    0.8307    0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7352    1.2906   -0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2454    1.5304   -0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1502    0.8147   -0.5566 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9391    1.4144   -0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8129    2.7490   -0.4837 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8804    3.4997   -0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1291    2.9031    0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7815    0.6498   -1.0179 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3974   -0.6105   -0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2551   -1.1939   -0.9699 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6473   -2.2987   -0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3120   -2.9484    0.6749 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4482   -2.3635    1.2362 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9228   -1.1374    0.7547 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7588   -0.3314    1.6852 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7775   -2.4281   -0.4287 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5977   -1.3001   -0.7774 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2166   -0.4960   -1.6721 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8975   -1.0642   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5272    0.1663   -0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9090    0.2763   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6616   -0.8412    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0144   -2.0119    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6290   -2.1269    0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0406   -1.0191   -0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0238   -0.0045   -0.1067 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1135    0.2265    1.3277 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2652    1.2032    1.6267 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0021    1.6311    0.4225 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1087    2.0987   -0.6559 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8248    1.2635   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8181    0.5244   -0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8831    0.6511    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7524   -0.4314    1.1416 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5180   -0.8604    1.5177 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3892   -0.2590    1.0607 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4728    0.8301    0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7349    1.2915   -0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2471    1.5321   -0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1468    0.8132   -0.5547 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9438    1.4191   -0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8120    2.7485   -0.4878 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8836    3.5022   -0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1292    2.9031    0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7795    0.6490   -1.0157 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3989   -0.6089   -0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2553   -1.1929   -0.9676 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6470   -2.2967   -0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3103   -2.9462    0.6782 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4478   -2.3627    1.2387 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9244   -1.1386    0.7559 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7669   -0.3358    1.6839 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7776   -2.4270   -0.4292 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5977   -1.2993   -0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2157   -0.4950   -1.6735 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8986   -1.0645   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5295    0.1653   -0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9115    0.2742   -0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6630   -0.8437    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0143   -2.0140    0.4968 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6290   -2.1278    0.3833 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0439   -1.0223   -0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0259   -0.0059   -0.1048 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1143    0.2274    1.3293 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2661    1.2039    1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0019    1.6332    0.4233 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1077    2.0990   -0.6552 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8258    1.2608   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8204    0.5284   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8831    0.6512    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7525   -0.4314    1.1415 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5182   -0.8605    1.5175 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3893   -0.2592    1.0607 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4730    0.8302    0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7348    1.2915   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2464    1.5315   -0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1479    0.8139   -0.5540 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9421    1.4178   -0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8130    2.7495   -0.4878 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8832    3.5021   -0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1296    2.9034    0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7802    0.6498   -1.0153 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3987   -0.6093   -0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2554   -1.1927   -0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6470   -2.2966   -0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3101   -2.9460    0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4477   -2.3627    1.2389 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9246   -1.1385    0.7560 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7677   -0.3362    1.6838 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7776   -2.4268   -0.4293 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5978   -1.2993   -0.7796 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2156   -0.4949   -1.6737 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8987   -1.0645   -0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5297    0.1652   -0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9118    0.2740   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6632   -0.8440    0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0143   -2.0142    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6290   -2.1279    0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0442   -1.0226   -0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0261   -0.0061   -0.1046 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1143    0.2274    1.3294 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2662    1.2040    1.6279 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0019    1.6334    0.4234 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1076    2.0990   -0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8259    1.2606   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8206    0.5288   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8832    0.6516    0.2677 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7529   -0.4316    1.1410 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5190   -0.8613    1.5169 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3895   -0.2600    1.0607 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4735    0.8304    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7345    1.2918   -0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2448    1.5301   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1501    0.8156   -0.5522 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9386    1.4153   -0.7041 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8154    2.7521   -0.4884 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8827    3.5021   -0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1306    2.9042    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7817    0.6518   -1.0141 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3985   -0.6100   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2557   -1.1920   -0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6468   -2.2959   -0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3095   -2.9451    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4474   -2.3626    1.2399 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9256   -1.1385    0.7565 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7709   -0.3381    1.6832 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7776   -2.4263   -0.4295 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5978   -1.2990   -0.7805 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2153   -0.4946   -1.6743 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.8991   -1.0647   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5307    0.1648   -0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9128    0.2731   -0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6638   -0.8450    0.0874 C   0  0  0  0  0  0  0  0  0 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0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8832    0.6521    0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7535   -0.4317    1.1403 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5197   -0.8622    1.5161 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3902   -0.2608    1.0605 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4730    0.8300    0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7344    1.2923   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2465    1.5317   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1472    0.8140   -0.5516 N   0  0  0  0  0  0  0  0  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0  0  0  0  0  0  0  0  0\\n  -10.8226    0.5324   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8832    0.6522    0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7537   -0.4318    1.1401 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5199   -0.8624    1.5159 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3902   -0.2611    1.0605 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4731    0.8301    0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7343    1.2924   -0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2459    1.5312   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1480    0.8147   -0.5510 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9416    1.4181   -0.7027 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8148    2.7517   -0.4909 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8847    3.5035   -0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1307    2.9043    0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7804    0.6512   -1.0127 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3995   -0.6090   -0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2557   -1.1913   -0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6466   -2.2947   -0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3084   -2.9438    0.6818 C   0  0  0  0 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0  0  0  0  0  0  0  0  0  0  0\\n   -8.1150    0.2283    1.3309 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2671    1.2048    1.6290 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0016    1.6356    0.4243 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1066    2.0992   -0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8268    1.2579   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8228    0.5328   -0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8834    0.6531    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7548   -0.4322    1.1388 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5216   -0.8641    1.5143 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3910   -0.2629    1.0604 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4739    0.8302    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7337    1.2932   -0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2436    1.5293   -0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1511    0.8172   -0.5473 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9369    1.4151   -0.7036 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8187    2.7560   -0.4930 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8847    3.5042   -0.1288 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1325    2.9056    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7825    0.6543   -1.0099 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.3995   -0.6097   -0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2563   -1.1897   -0.9626 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6461   -2.2930   -0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3069   -2.9417    0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4467   -2.3617    1.2437 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9286   -1.1394    0.7584 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7834   -0.3451    1.6812 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7778   -2.4244   -0.4303 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5980   -1.2978   -0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2139   -0.4930   -1.6765 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9010   -1.0652   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5346    0.1631   -0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9168    0.2696   -0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6661   -0.8490    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0144   -2.0184    0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6291   -2.1297    0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0508   -1.0289   -0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0302   -0.0090   -0.1009 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1157    0.2291    1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2679    1.2056    1.6301 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0014    1.6377    0.4252 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1056    2.0995   -0.6536 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8277    1.2553   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8249    0.5367   -0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8835    0.6536    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7555   -0.4324    1.1380 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5221   -0.8650    1.5135 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3919   -0.2636    1.0602 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4726    0.8295    0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7339    1.2938   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2477    1.5330   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1446    0.8133   -0.5478 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9466    1.4231   -0.7002 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8146    2.7520   -0.4963 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8888    3.5067   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1313    2.9048    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7784    0.6509   -1.0092 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4013   -0.6071   -0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2559   -1.1894   -0.9615 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6460   -2.2919   -0.3554 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3060   -2.9408    0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4467   -2.3611    1.2448 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9290   -1.1408    0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7872   -0.3471    1.6806 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7779   -2.4239   -0.4305 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5980   -1.2975   -0.7847 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2135   -0.4925   -1.6772 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9016   -1.0654   -0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5358    0.1626   -0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9181    0.2685   -0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6669   -0.8502    0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0144   -2.0194    0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6291   -2.1301    0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0524   -1.0305   -0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0312   -0.0097   -0.1000 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1160    0.2295    1.3331 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2683    1.2060    1.6306 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0012    1.6388    0.4256 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1051    2.0996   -0.6533 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8282    1.2540   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8260    0.5386   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8835    0.6538    0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7556   -0.4325    1.1378 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5226   -0.8654    1.5132 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.3918   -0.2640    1.0602 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4734    0.8299    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7336    1.2939   -0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2453    1.5309   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1483    0.8158   -0.5461 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9411    1.4189   -0.7018 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8177    2.7551   -0.4959 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.8873    3.5060   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1325    2.9056    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7808    0.6534   -1.0084 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4006   -0.6084   -0.4413 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2563   -1.1889   -0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6459   -2.2916   -0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.3057   -2.9403    0.6872 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4465   -2.3612    1.2453 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9296   -1.1404    0.7593 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.7887   -0.3481    1.6804 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7779   -2.4236   -0.4306 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.5981   -1.2973   -0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2133   -0.4923   -1.6775 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9018   -1.0655   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5363    0.1623   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9186    0.2681   -0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6672   -0.8508    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0144   -2.0198    0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6291   -2.1303    0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0531   -1.0312   -0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0316   -0.0100   -0.0996 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1162    0.2297    1.3334 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2685    1.2062    1.6309 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.0012    1.6392    0.4258 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.1048    2.0996   -0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8284    1.2535   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8264    0.5394   -0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8860    0.6646    0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7696   -0.4378    1.1212 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5408   -0.8865    1.4938 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4037   -0.2840    1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4742    0.8288    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7302    1.3052   -0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2467    1.5332   -0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1428    0.8196   -0.5144 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9495    1.4314   -0.6911 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8327    2.7739   -0.5320 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.9094    3.5249   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1441    2.9143    0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7794    0.6644   -0.9785 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4104   -0.6015   -0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2589   -1.1717   -0.9321 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6408   -2.2688   -0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2867   -2.9157    0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4418   -2.3549    1.2723 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9507   -1.1497    0.7735 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8783   -0.3998    1.6666 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7796   -2.4092   -0.4358 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6000   -1.2890   -0.8093 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2035   -0.4806   -1.6936 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9167   -1.0702   -0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5660    0.1492   -0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9494    0.2420   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6853   -0.8805    0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0158   -2.0442    0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6306   -2.1413    0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0920   -1.0688   -0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0557   -0.0272   -0.0777 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1241    0.2394    1.3511 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2779    1.2160    1.6437 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9976    1.6646    0.4362 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.0923    2.1024   -0.6444 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8392    1.2222   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8509    0.5855   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8861    0.6646    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7696   -0.4379    1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5410   -0.8866    1.4936 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4037   -0.2841    1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4745    0.8289    0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7302    1.3053   -0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2459    1.5328   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1441    0.8201   -0.5139 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9477    1.4310   -0.6914 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8337    2.7743   -0.5320 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.9091    3.5248   -0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1445    2.9145    0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7801    0.6650   -0.9782 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4102   -0.6017   -0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2590   -1.1715   -0.9318 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6406   -2.2686   -0.3275 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2866   -2.9155    0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4417   -2.3549    1.2724 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9509   -1.1496    0.7737 C   0  0  0  0  0  0  0  0  0 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0  0  0  0  0  0\\n   -9.9976    1.6647    0.4362 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.0922    2.1024   -0.6443 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8394    1.2219   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8510    0.5858   -0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8863    0.6648    0.2707 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7699   -0.4382    1.1205 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5415   -0.8871    1.4929 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4039   -0.2844    1.0572 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4752    0.8291    0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7302    1.3056   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2446    1.5323   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1468    0.8213   -0.5125 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9442    1.4301   -0.6919 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8359    2.7752   -0.5323 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.9089    3.5247   -0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1456    2.9151    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7817    0.6661   -0.9770 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4101   -0.6019   -0.4161 C   0  0  0  0  0  0 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0  0  0  0  0  0  0  0  0\\n   -3.6310   -2.1417    0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0932   -1.0699   -0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0565   -0.0278   -0.0770 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1243    0.2397    1.3515 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2780    1.2164    1.6441 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9973    1.6654    0.4365 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.0917    2.1024   -0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8398    1.2210   -0.7928 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8514    0.5872   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8867    0.6654    0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7709   -0.4388    1.1191 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5423   -0.8885    1.4911 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4052   -0.2852    1.0568 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4747    0.8294    0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7309    1.3068   -0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2486    1.5350   -0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1418    0.8204   -0.5119 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9529    1.4332   -0.6889 C   0  0  0  0 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0  0  0  0  0  0  0  0  0  0  0\\n   -2.9190   -1.0713   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5699    0.1471   -0.4563 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9534    0.2386   -0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6877   -0.8839    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0167   -2.0467    0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6316   -2.1426    0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0959   -1.0724   -0.4125 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0582   -0.0290   -0.0753 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1247    0.2404    1.3527 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2784    1.2173    1.6450 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9967    1.6671    0.4373 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.0906    2.1024   -0.6433 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8409    1.2186   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8526    0.5905   -0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8868    0.6654    0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7709   -0.4389    1.1190 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5425   -0.8886    1.4910 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4051   -0.2853    1.0568 C   0  0 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  0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9529   -1.1507    0.7755 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8850   -0.4066    1.6654 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7800   -2.4072   -0.4356 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6008   -1.2883   -0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2028   -0.4792   -1.6949 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9192   -1.0714   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5702    0.1470   -0.4567 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9536    0.2384   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6879   -0.8841    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0167   -2.0469    0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6317   -2.1427    0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0962   -1.0726   -0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0584   -0.0292   -0.0752 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1247    0.2405    1.3528 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2784    1.2174    1.6451 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9966    1.6673    0.4374 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.0905    2.1024   -0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8409    1.2183   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8528    0.5908   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8869    0.6655    0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7710   -0.4390    1.1189 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5427   -0.8888    1.4908 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4051   -0.2854    1.0567 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4754    0.8297    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7308    1.3069   -0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2468    1.5339   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1450    0.8215   -0.5107 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9485    1.4319   -0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8361    2.7754   -0.5350 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.9120    3.5260   -0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1467    2.9159    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7811    0.6662   -0.9745 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4113   -0.6006   -0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2588   -1.1687   -0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6396   -2.2654   -0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2850   -2.9128    0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4417   -2.3546    1.2749 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9531   -1.1507    0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8854   -0.4070    1.6654 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7800   -2.4071   -0.4356 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6009   -1.2883   -0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2027   -0.4791   -1.6950 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9193   -1.0714   -0.2159 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5704    0.1468   -0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9539    0.2382   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6881   -0.8843    0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0168   -2.0471    0.4575 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6318   -2.1428    0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0965   -1.0729   -0.4120 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0586   -0.0293   -0.0750 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1248    0.2406    1.3529 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2784    1.2175    1.6452 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9966    1.6675    0.4375 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.0903    2.1025   -0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8410    1.2181   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8529    0.5911   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8876    0.6661    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7718   -0.4398    1.1176 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5439   -0.8902    1.4891 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4055   -0.2862    1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4770    0.8304    0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7310    1.3080   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2439    1.5324   -0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1512    0.8236   -0.5073 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9411    1.4300   -0.6908 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8411    2.7781   -0.5358 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.9116    3.5264   -0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1494    2.9174    0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7847    0.6689   -0.9716 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4106   -0.6012   -0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2591   -1.1666   -0.9250 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6389   -2.2635   -0.3220 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2841   -2.9112    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4414   -2.3547    1.2764 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9547   -1.1510    0.7768 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8900   -0.4109    1.6650 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7802   -2.4058   -0.4355 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6015   -1.2877   -0.8139 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2023   -0.4782   -1.6959 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9209   -1.0722   -0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5731    0.1454   -0.4615 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9564    0.2361   -0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6897   -0.8865    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0173   -2.0488    0.4556 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6325   -2.1437    0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0993   -1.0756   -0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0603   -0.0305   -0.0734 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1252    0.2413    1.3542 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2787    1.2183    1.6462 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9961    1.6693    0.4383 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.0893    2.1026   -0.6425 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8418    1.2157   -0.7931 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8541    0.5943   -0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8876    0.6662    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7721   -0.4399    1.1174 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5439   -0.8905    1.4888 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4060   -0.2864    1.0562 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4764    0.8304    0.2159 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7313    1.3083   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2466    1.5340   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1472    0.8224   -0.5079 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9471    1.4320   -0.6892 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8388    2.7770   -0.5369 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.9134    3.5272   -0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1487    2.9172    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7826    0.6676   -0.9716 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4115   -0.6002   -0.4112 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2587   -1.1664   -0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6389   -2.2630   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2838   -2.9110    0.7304 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4415   -2.3546    1.2767 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9547   -1.1515    0.7769 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8909   -0.4116    1.6650 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7803   -2.4056   -0.4354 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6015   -1.2877   -0.8142 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2022   -0.4780   -1.6960 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9213   -1.0723   -0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5736    0.1452   -0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9569    0.2357   -0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6900   -0.8869    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0175   -2.0491    0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6326   -2.1439    0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.0999   -1.0761   -0.4091 C   0  0  0  0  0  0  0  0  0 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34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8882    0.6668    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7730   -0.4407    1.1161 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5448   -0.8918    1.4871 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4070   -0.2872    1.0557 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4767    0.8309    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7319    1.3095   -0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2485    1.5351   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1457    0.8225   -0.5064 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9508    1.4332   -0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8389    2.7775   -0.5390 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.9158    3.5285   -0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1496    2.9179    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7820    0.6677   -0.9695 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4124   -0.5992   -0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2583   -1.1646   -0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6384   -2.2610   -0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2826   -2.9096    0.7324 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4414   -2.3546    1.2782 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9558   -1.1525    0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8956   -0.4152    1.6647 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7807   -2.4043   -0.4353 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6020   -1.2873   -0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2018   -0.4772   -1.6969 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9229   -1.0730   -0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5762    0.1438   -0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9595    0.2335   -0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6916   -0.8890    0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0181   -2.0508    0.4535 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6332   -2.1449    0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.1028   -1.0788   -0.4066 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0623   -0.0320   -0.0715 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1256    0.2421    1.3556 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2790    1.2193    1.6473 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9954    1.6715    0.4393 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.0880    2.1029   -0.6417 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8428    1.2129   -0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8556    0.5980   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.8884    0.6669    0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.7731   -0.4408    1.1159 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.5451   -0.8921    1.4868 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4070   -0.2873    1.0556 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4771    0.8310    0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7319    1.3097   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2477    1.5347   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1474    0.8229   -0.5056 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9487    1.4328   -0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8402    2.7781   -0.5391 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.9157    3.5286   -0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.1502    2.9183    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.7830    0.6683   -0.9689 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4122   -0.5994   -0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2584   -1.1642   -0.9217 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.6382   -2.2607   -0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2824   -2.9093    0.7329 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4413   -2.3546    1.2784 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.9561   -1.1525    0.7782 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.8965   -0.4160    1.6646 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.7807   -2.4041   -0.4352 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6022   -1.2871   -0.8161 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2017   -0.4770   -1.6970 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -2.9232   -1.0732   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.5767    0.1435   -0.4675 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -4.9600    0.2331   -0.3384 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.6920   -0.8895    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0182   -2.0512    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.6334   -2.1450    0.3189 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.1034   -1.0793   -0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.0627   -0.0323   -0.0712 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1256    0.2422    1.3559 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2790    1.2195    1.6475 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9953    1.6719    0.4395 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.0877    2.1029   -0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.8430    1.2124   -0.7933 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.8558    0.5987   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9543    0.7235    0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8610   -0.5162    0.9931 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6430   -1.0321    1.3219 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4905   -0.3634    1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5461    0.8854    0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7887    1.4261    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3076    1.5879   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2178    0.8654   -0.2973 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9989    1.5017   -0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9910    2.8706   -0.7129 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.0852    3.6434   -0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2917    3.0120   -0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8477    0.7376   -0.7400 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4538   -0.5414   -0.2169 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2407   -0.9807   -0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5719   -2.0649   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1728   -2.7681    0.9376 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4236   -2.3622    1.4184 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0819   -1.2319    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.3504   -0.7715    1.6390 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8145   -2.2813   -0.4180 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6583   -1.2409   -0.9792 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.1625   -0.3923   -1.7800 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.0849   -1.1453   -0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8395    0.0044   -0.8997 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2158    0.0206   -0.6485 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8574   -1.1050   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0769   -2.2209    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7017   -2.2400    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3890   -1.3459   -0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2353   -0.1549    0.0853 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1598    0.3130    1.4780 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.3024    1.3075    1.7421 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9407    1.8502    0.5219 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9780    2.1223   -0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9263    0.9764   -0.8081 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9756    0.9109    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9536    0.7194    0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8601   -0.5118    0.9911 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6395   -1.0249    1.3176 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4973   -0.3618    1.0028 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5436    0.8836    0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7922    1.4212    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3319    1.6023   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1720    0.8826   -0.3065 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0670    1.4965   -0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9714    2.8648   -0.7154 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.0952    3.6310   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2815    3.0035   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8252    0.7372   -0.7465 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4713   -0.5385   -0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2326   -0.9819   -0.6718 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5706   -2.0658   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1737   -2.7676    0.9338 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4264   -2.3598    1.4189 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0850   -1.2287    0.8905 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.3309   -0.7777    1.6291 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8186   -2.2747   -0.4172 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6531   -1.2431   -0.9793 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.1682   -0.3936   -1.7775 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.0820   -1.1484   -0.5977 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8395    0.0000   -0.8993 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2195    0.0137   -0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8663   -1.1095   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0780   -2.2190    0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7035   -2.2365    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3749   -1.3297   -0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2301   -0.1539    0.0857 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1597    0.3093    1.4677 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.3033    1.3092    1.7413 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9396    1.8444    0.5180 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9728    2.1139   -0.5739 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9430    0.9778   -0.7992 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9688    0.9166    0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9539    0.7192    0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8597   -0.5117    0.9911 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6404   -1.0243    1.3171 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4964   -0.3611    1.0023 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5456    0.8838    0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7923    1.4204    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3255    1.6003   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1844    0.8838   -0.3034 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0494    1.4987   -0.5762 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9781    2.8636   -0.7137 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.0922    3.6293   -0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2842    3.0037   -0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8319    0.7390   -0.7447 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4690   -0.5388   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2340   -0.9819   -0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5697   -2.0655   -0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1742   -2.7676    0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4266   -2.3594    1.4187 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0852   -1.2287    0.8912 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.3287   -0.7784    1.6281 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8183   -2.2745   -0.4165 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6540   -1.2429   -0.9791 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.1686   -0.3936   -1.7775 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.0817   -1.1487   -0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8397   -0.0009   -0.8992 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2202    0.0127   -0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8656   -1.1094   -0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0787   -2.2189    0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7037   -2.2362    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3737   -1.3282   -0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2300   -0.1536    0.0858 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1597    0.3091    1.4673 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.3032    1.3091    1.7408 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9386    1.8444    0.5179 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9730    2.1132   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9443    0.9776   -0.7989 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9684    0.9168    0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9545    0.7188    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8593   -0.5114    0.9910 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6412   -1.0232    1.3163 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4954   -0.3599    1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5477    0.8841    0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7928    1.4192    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3196    1.5986   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1969    0.8855   -0.2999 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0318    1.5014   -0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9847    2.8616   -0.7118 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.0895    3.6264   -0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2870    3.0035   -0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8391    0.7408   -0.7426 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4667   -0.5387   -0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2356   -0.9820   -0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5687   -2.0649   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1750   -2.7676    0.9331 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4271   -2.3587    1.4184 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0848   -1.2287    0.8918 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.3249   -0.7795    1.6264 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8180   -2.2740   -0.4153 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6553   -1.2429   -0.9788 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.1695   -0.3935   -1.7774 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.0812   -1.1492   -0.5981 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8401   -0.0024   -0.8989 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2212    0.0110   -0.6477 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8646   -1.1093   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0799   -2.2187    0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7039   -2.2359    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3716   -1.3257   -0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2299   -0.1532    0.0859 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1598    0.3088    1.4668 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.3029    1.3089    1.7399 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9370    1.8445    0.5177 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9733    2.1120   -0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9465    0.9772   -0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9677    0.9173    0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9575    0.7170    0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8596   -0.5098    0.9906 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6415   -1.0180    1.3124 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4943   -0.3551    0.9972 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5497    0.8857    0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7971    1.4148    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3213    1.6015   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2049    0.8924   -0.2943 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0228    1.5061   -0.5826 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9866    2.8556   -0.7095 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.0901    3.6147   -0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2911    3.0001   -0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8471    0.7432   -0.7383 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4651   -0.5350   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2390   -0.9811   -0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5673   -2.0623   -0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1779   -2.7676    0.9302 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4293   -2.3565    1.4175 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0786   -1.2291    0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.3076   -0.7841    1.6183 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8194   -2.2707   -0.4098 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6590   -1.2430   -0.9775 C   0  0  0  0  0  0 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0  0  0  0  0  0  0  0  0\\n  -10.9637    0.9198    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9595    0.7166    0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8609   -0.5098    0.9908 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6396   -1.0168    1.3113 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4949   -0.3542    0.9959 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5499    0.8867    0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7988    1.4153    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3284    1.6033   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1941    0.8939   -0.2952 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0423    1.5008   -0.5771 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9798    2.8578   -0.7108 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.0927    3.6134   -0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2917    2.9992   -0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8410    0.7428   -0.7390 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4668   -0.5346   -0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2369   -0.9786   -0.6650 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5691   -2.0620   -0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1787   -2.7677    0.9294 C   0  0  0  0 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0  0  0  0  0  0  0  0  0  0  0\\n   -8.1594    0.3074    1.4651 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2993    1.3065    1.7368 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9320    1.8442    0.5184 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9738    2.1072   -0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9581    0.9742   -0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9622    0.9209    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9602    0.7166    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8608   -0.5100    0.9910 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6398   -1.0166    1.3110 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4945   -0.3536    0.9954 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5511    0.8868    0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.7994    1.4154    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3260    1.6025   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2002    0.8935   -0.2933 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0341    1.5028   -0.5788 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9830    2.8566   -0.7098 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.0916    3.6133   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2932    2.9993   -0.1496 C   0  0 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  0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8613   -1.1088   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0840   -2.2184    0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7071   -2.2368    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3601   -1.3130   -0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2294   -0.1522    0.0879 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1591    0.3074    1.4652 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2991    1.3063    1.7369 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9317    1.8445    0.5187 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9739    2.1073   -0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9586    0.9737   -0.7995 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9620    0.9211    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9636    0.7165    0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8610   -0.5106    0.9919 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6395   -1.0151    1.3091 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4941   -0.3510    0.9924 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5540    0.8881    0.3351 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8034    1.4161    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3264    1.6022   -0.0458 C  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-0.4023 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6623   -1.2433   -0.9748 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.1799   -0.3935   -1.7756 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.0844   -1.1565   -0.5977 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8439   -0.0151   -0.9020 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2233    0.0017   -0.6570 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8598   -1.1080   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0855   -2.2191    0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7085   -2.2392    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3588   -1.3119   -0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2290   -0.1524    0.0888 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1574    0.3073    1.4658 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2976    1.3055    1.7377 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9299    1.8455    0.5199 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9744    2.1075   -0.5699 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9617    0.9714   -0.8023 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9605    0.9220    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9642    0.7164    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8613   -0.5105    0.9919 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6390   -1.0149    1.3088 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.4946   -0.3508    0.9920 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5541    0.8886    0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8042    1.4163    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3292    1.6030   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2036    0.8934   -0.2890 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0337    1.5029   -0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.9850    2.8548   -0.7082 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.0933    3.6119   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.2964    2.9990   -0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8461    0.7435   -0.7350 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4617   -0.5322   -0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2348   -0.9745   -0.6629 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5678   -2.0591   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1793   -2.7694    0.9276 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4269   -2.3588    1.4142 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0693   -1.2281    0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.2940   -0.7854    1.6132 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8208   -2.2653   -0.4016 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6621   -1.2434   -0.9745 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.1807   -0.3937   -1.7753 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.0848   -1.1570   -0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8441   -0.0157   -0.9025 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2231    0.0015   -0.6578 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8601   -1.1080   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0856   -2.2192    0.2719 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7088   -2.2397    0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3585   -1.3118   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2289   -0.1526    0.0889 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1570    0.3074    1.4658 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2972    1.3054    1.7378 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9298    1.8455    0.5201 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9742    2.1075   -0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9624    0.9711   -0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9601    0.9223    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9928    0.7137    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8670   -0.5127    0.9980 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6316   -1.0079    1.2946 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5012   -0.3346    0.9680 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5872    0.9037    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8395    1.4263    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3427    1.6072   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2249    0.8965   -0.2614 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0500    1.4951   -0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0026    2.8511   -0.6951 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1049    3.6033   -0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3224    2.9995   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8507    0.7515   -0.7208 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4401   -0.5242   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2078   -0.9447   -0.6543 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5598   -2.0449   -0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1778   -2.7766    0.9090 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4145   -2.3745    1.3983 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0352   -1.2220    0.8805 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.2443   -0.7864    1.6011 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8354   -2.2421   -0.3641 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6736   -1.2457   -0.9589 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2128   -0.3991   -1.7664 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.0973   -1.1792   -0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8498   -0.0416   -0.9286 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2207   -0.0098   -0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8645   -1.1081   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0958   -2.2244    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7238   -2.2598    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3498   -1.3091   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2241   -0.1574    0.0953 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1387    0.3123    1.4674 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2833    1.3002    1.7454 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9213    1.8484    0.5313 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9688    2.1083   -0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9919    0.9533   -0.8274 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9458    0.9344    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9927    0.7141    0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8667   -0.5133    0.9983 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6324   -1.0081    1.2946 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5017   -0.3344    0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5852    0.9035    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8404    1.4264    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3465    1.6081   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2232    0.8951   -0.2617 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0497    1.4973   -0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0019    2.8495   -0.6950 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1066    3.6043   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3211    2.9995   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8511    0.7503   -0.7201 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4394   -0.5220   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2082   -0.9454   -0.6532 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5582   -2.0441   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1774   -2.7772    0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4150   -2.3737    1.3975 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0354   -1.2238    0.8820 C   0  0  0  0  0  0  0  0  0 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0  0  0  0  0  0\\n   -9.9203    1.8489    0.5312 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9690    2.1085   -0.5655 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9917    0.9527   -0.8274 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9463    0.9340    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9927    0.7144    0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8665   -0.5136    0.9985 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6331   -1.0083    1.2946 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5020   -0.3344    0.9676 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5839    0.9035    0.3198 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8410    1.4266    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3490    1.6085   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2223    0.8943   -0.2620 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0492    1.4985   -0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0016    2.8487   -0.6949 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1078    3.6051   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3203    2.9997   -0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8515    0.7496   -0.7196 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4389   -0.5207   -0.1900 C   0  0  0  0  0  0 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0  0  0  0  0  0  0  0  0\\n   -3.7234   -2.2594    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3515   -1.3099   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2243   -0.1571    0.0949 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1380    0.3128    1.4672 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2835    1.3003    1.7453 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9196    1.8493    0.5312 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9691    2.1086   -0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9916    0.9523   -0.8275 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9468    0.9337    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9927    0.7146    0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8665   -0.5139    0.9987 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6336   -1.0085    1.2946 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5023   -0.3343    0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5832    0.9034    0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8415    1.4267    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3506    1.6087   -0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2217    0.8939   -0.2622 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0488    1.4992   -0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0014    2.8484   -0.6948 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1086    3.6056   -0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3199    2.9998   -0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8518    0.7493   -0.7193 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4385   -0.5198   -0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2084   -0.9460   -0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5564   -2.0433   -0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1766   -2.7779    0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4155   -2.3727    1.3966 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0359   -1.2257    0.8836 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.2459   -0.7854    1.6024 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8337   -2.2435   -0.3633 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6780   -1.2458   -0.9578 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2111   -0.3988   -1.7672 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.0973   -1.1786   -0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8491   -0.0421   -0.9292 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2233   -0.0112   -0.6936 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8621   -1.1079   -0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0975   -2.2246    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7233   -2.2593    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3521   -1.3103   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2243   -0.1570    0.0948 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1377    0.3131    1.4671 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2835    1.3004    1.7453 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9190    1.8496    0.5312 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9692    2.1087   -0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9915    0.9519   -0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9471    0.9334    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9928    0.7151    0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8666   -0.5145    0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6348   -1.0089    1.2946 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5029   -0.3344    0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5821    0.9034    0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8423    1.4271    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3534    1.6089   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2210    0.8934   -0.2627 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0479    1.5001   -0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0013    2.8482   -0.6945 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1101    3.6067   -0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3193    3.0003   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8525    0.7491   -0.7188 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4378   -0.5184   -0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2082   -0.9462   -0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5548   -2.0427   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1757   -2.7785    0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4158   -2.3722    1.3956 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0364   -1.2270    0.8847 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.2471   -0.7848    1.6037 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8338   -2.2444   -0.3630 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6798   -1.2459   -0.9574 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2104   -0.3990   -1.7675 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.0977   -1.1784   -0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8491   -0.0424   -0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2246   -0.0121   -0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8614   -1.1082   -0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0983   -2.2248    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7232   -2.2589    0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3535   -1.3112   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2246   -0.1569    0.0946 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1370    0.3138    1.4667 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2835    1.3005    1.7452 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9180    1.8501    0.5312 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9690    2.1090   -0.5636 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9914    0.9511   -0.8278 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9479    0.9330    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9937    0.7155    0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8682   -0.5153    0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6371   -1.0104    1.2944 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5049   -0.3354    0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5835    0.9035    0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8432    1.4280    0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3548    1.6085   -0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2221    0.8946   -0.2637 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0469    1.5002   -0.5497 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0025    2.8506   -0.6935 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1122    3.6085   -0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3210    3.0017   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8532    0.7505   -0.7184 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4373   -0.5180   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2059   -0.9451   -0.6486 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5519   -2.0426   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1730   -2.7791    0.9075 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4159   -2.3727    1.3935 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0382   -1.2277    0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.2509   -0.7833    1.6084 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8373   -2.2460   -0.3630 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6819   -1.2461   -0.9572 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2094   -0.4003   -1.7672 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.0997   -1.1778   -0.5982 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8507   -0.0432   -0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2270   -0.0146   -0.6948 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8625   -1.1102   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0994   -2.2251    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7240   -2.2577    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3571   -1.3136   -0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2256   -0.1571    0.0942 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1342    0.3165    1.4654 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2829    1.3008    1.7452 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9167    1.8506    0.5318 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9670    2.1099   -0.5613 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9916    0.9491   -0.8289 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9492    0.9327    0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9947    0.7158    0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8703   -0.5150    1.0002 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6380   -1.0113    1.2939 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5071   -0.3364    0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5848    0.9025    0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8446    1.4285    0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3560    1.6113   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2213    0.8932   -0.2642 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0509    1.5061   -0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0024    2.8501   -0.6925 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1140    3.6101   -0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3229    3.0013   -0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8516    0.7490   -0.7175 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4376   -0.5162   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2040   -0.9439   -0.6466 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5486   -2.0426   -0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1727   -2.7792    0.9068 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4148   -2.3745    1.3920 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0403   -1.2271    0.8856 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.2522   -0.7826    1.6113 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8398   -2.2467   -0.3631 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6827   -1.2465   -0.9576 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2096   -0.4016   -1.7667 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.1009   -1.1778   -0.5995 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8537   -0.0435   -0.9334 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2282   -0.0162   -0.6967 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8665   -1.1128   -0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0995   -2.2258    0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7255   -2.2571    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3587   -1.3150   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2265   -0.1582    0.0943 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1317    0.3187    1.4641 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2818    1.3007    1.7456 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9177    1.8500    0.5324 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9642    2.1104   -0.5605 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9928    0.9483   -0.8302 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9489    0.9339    0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9948    0.7159    0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8703   -0.5151    1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6384   -1.0113    1.2939 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5071   -0.3365    0.9652 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5850    0.9028    0.3183 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8447    1.4285    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3559    1.6106   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2220    0.8942   -0.2641 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0497    1.5046   -0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0030    2.8510   -0.6924 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1139    3.6100   -0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3231    3.0016   -0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8523    0.7499   -0.7174 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4374   -0.5165   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2039   -0.9437   -0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5486   -2.0424   -0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1724   -2.7793    0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4149   -2.3745    1.3919 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0403   -1.2273    0.8857 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.2523   -0.7826    1.6116 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8400   -2.2468   -0.3631 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6829   -1.2466   -0.9576 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2096   -0.4016   -1.7667 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.1012   -1.1778   -0.5996 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8538   -0.0436   -0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2287   -0.0165   -0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8663   -1.1128   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.0998   -2.2259    0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7255   -2.2570    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3590   -1.3152   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2266   -0.1581    0.0942 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1314    0.3188    1.4640 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2817    1.3007    1.7456 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9174    1.8502    0.5324 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9642    2.1104   -0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9929    0.9480   -0.8303 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9490    0.9338    0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9950    0.7159    0.3529 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8703   -0.5152    1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6387   -1.0114    1.2938 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5072   -0.3366    0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5851    0.9029    0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8448    1.4285    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3560    1.6102   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2224    0.8947   -0.2641 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0491    1.5038   -0.5476 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0033    2.8516   -0.6923 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1140    3.6100   -0.5089 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3232    3.0019   -0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8527    0.7504   -0.7173 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4373   -0.5166   -0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2037   -0.9436   -0.6462 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5486   -2.0424   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1722   -2.7794    0.9065 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4151   -2.3744    1.3918 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0403   -1.2274    0.8857 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.2524   -0.7825    1.6118 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8403   -2.2468   -0.3631 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6831   -1.2467   -0.9576 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2096   -0.4016   -1.7667 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.1014   -1.1778   -0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8539   -0.0437   -0.9338 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2291   -0.0167   -0.6969 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8662   -1.1129   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.1000   -2.2259    0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7255   -2.2570    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3593   -1.3153   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2267   -0.1581    0.0942 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1312    0.3190    1.4639 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2817    1.3007    1.7456 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9171    1.8503    0.5325 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9641    2.1105   -0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9930    0.9478   -0.8304 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9491    0.9338    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9965    0.7166    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8713   -0.5155    1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6412   -1.0120    1.2932 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5081   -0.3373    0.9640 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5863    0.9033    0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8460    1.4285    0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3572    1.6081   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2245    0.8979   -0.2640 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0459    1.5003   -0.5466 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0053    2.8549   -0.6914 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1156    3.6104   -0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3246    3.0034   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8550    0.7538   -0.7163 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4364   -0.5166   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2023   -0.9422   -0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5477   -2.0416   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1705   -2.7801    0.9053 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4161   -2.3745    1.3906 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0403   -1.2283    0.8862 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.2532   -0.7821    1.6142 C   0  0  0  0 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0  0  0  0  0  0  0  0  0  0  0\\n   -8.9634    2.1111   -0.5582 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9942    0.9458   -0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9497    0.9338    0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\\n     RDKit          3D\\n\\n 37 41  0  0  0  0  0  0  0  0999 V2000\\n    9.9966    0.7165    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    9.8716   -0.5154    1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.6411   -1.0121    1.2931 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5084   -0.3374    0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    7.5864    0.9031    0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    8.8462    1.4286    0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3575    1.6089   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.2240    0.8971   -0.2641 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0472    1.5021   -0.5464 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.0049    2.8542   -0.6913 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    5.1159    3.6107   -0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    6.3248    3.0031   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.8543    0.7531   -0.7161 N   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4365   -0.5161   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.2021   -0.9421   -0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    0.5474   -2.0416   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    1.1707   -2.7801    0.9053 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    2.4160   -2.3747    1.3905 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    3.0404   -1.2283    0.8862 C   0  0  0  0  0  0  0  0  0  0  0  0\\n    4.2531   -0.7821    1.6143 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -0.8423   -2.2476   -0.3629 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.6852   -1.2472   -0.9578 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -1.2097   -0.4023   -1.7668 O   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.1036   -1.1778   -0.6008 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.8558   -0.0447   -0.9359 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.2327   -0.0189   -0.6986 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.8668   -1.1144   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -5.1020   -2.2266    0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -3.7262   -2.2564    0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.3620   -1.3171   -0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.2275   -0.1583    0.0939 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.1285    0.3208    1.4629 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.2809    1.3006    1.7458 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -9.9150    1.8512    0.5332 N   0  0  0  0  0  0  0  0  0  0  0  0\\n   -8.9632    2.1111   -0.5582 C   0  0  0  0  0  0  0  0  0  0  0  0\\n   -7.9944    0.9458   -0.8318 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  -10.9496    0.9340    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0\\n  1  2  2  0\\n  2  3  1  0\\n  3  4  2  0\\n  4  5  1  0\\n  5  6  2  0\\n  5  7  1  0\\n  7  8  2  0\\n  8  9  1  0\\n  9 10  2  0\\n 10 11  1  0\\n 11 12  2  0\\n  9 13  1  0\\n 13 14  1  0\\n 14 15  2  0\\n 15 16  1  0\\n 16 17  2  0\\n 17 18  1  0\\n 18 19  2  0\\n 19 20  1  0\\n 16 21  1  0\\n 21 22  1  0\\n 22 23  2  0\\n 22 24  1  0\\n 24 25  2  0\\n 25 26  1  0\\n 26 27  2  0\\n 27 28  1  0\\n 28 29  2  0\\n 27 30  1  0\\n 30 31  1  0\\n 31 32  1  0\\n 32 33  1  0\\n 33 34  1  0\\n 34 35  1  0\\n 35 36  1  0\\n 34 37  1  0\\n  6  1  1  0\\n 12  7  1  0\\n 19 14  1  0\\n 29 24  1  0\\n 36 31  1  0\\nM  END\\n$$$$\\n\",\"sdf\");\n",
       "\tviewer.setStyle({\"stick\": {}});\n",
       "\tviewer.zoomTo();\n",
       "\tviewer.animate();\n",
       "viewer.render();\n",
       "});\n",
       "</script>"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "execution_count": 13,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "m = Chem.MolFromSmiles('c1cncc(c1)c1nc(ncc1)Nc1cc(ccc1C)NC(=O)c1ccc(cc1)CN1CCN(CC1)C')\n",
    "Chem.SanitizeMol(m)\n",
    "AllChem.EmbedMultipleConfs(m, 1)\n",
    "\n",
    "sdf = Chem.MolToMolBlock(m)+'$$$$\\n'\n",
    "\n",
    "for i in xrange(100):\n",
    "    AllChem.UFFOptimizeMolecule(m,1)\n",
    "    sdf += Chem.MolToMolBlock(m)+'$$$$\\n'\n",
    "    \n",
    "view = py3Dmol.view()\n",
    "view.addModelsAsFrames(sdf,'sdf')\n",
    "view.setStyle({'stick':{}})\n",
    "view.zoomTo()\n",
    "view.animate()\n",
    "view.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": []
  }
 ],
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