56932094 -OEChem-03292408093D 34 36 0 0 0 0 0 0 0999 V2000 -0.3637 -2.1219 -0.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 2.7372 0.0814 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5489 -0.3638 -0.2662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1265 2.6399 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0281 0.2258 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -0.8495 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9019 0.4187 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 1.4595 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -1.0060 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4241 0.0737 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0545 1.6232 0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1493 -1.9864 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 0.5541 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -0.0307 1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0755 0.0317 -1.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 -1.8484 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1083 -0.5795 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 -0.1776 1.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4616 -0.1150 -1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1964 -0.2198 -0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2381 -0.4650 0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7265 -2.9869 -0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7665 1.5325 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6647 -0.0004 2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 0.1110 -2.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 -2.7306 0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1882 -0.4722 0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 -0.2534 1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 -0.1475 -2.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 2.6442 -0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 3.5177 0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3034 -0.5740 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -1.3600 1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1304 0.4483 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 11 2 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 11 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 19 2 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 M END > 56932094 > 0.6 > 1 > 31 1 -0.57 10 0.03 11 0.47 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 0.08 21 0.28 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.36 30 0.4 31 0.4 4 -0.9 5 -0.01 6 0.09 7 0.09 8 0.11 9 0.47 > 2 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 1 4 donor 6 10 14 15 18 19 20 rings 6 5 6 7 8 9 11 rings 6 6 7 12 13 16 17 rings > 21 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0364B6FE00000001 > 77.5462 > 40.617 > 10319926 262 18198042717815952586 10411042 1 18194682794833654427 10493431 412 18054802693619953121 11132069 177 18342181059596166295 11315181 36 18187083953861784264 12011746 2 18412819175654065717 12107183 9 17613146374364131178 12166972 35 17603587456474465668 12236239 1 17749108881246188430 12553582 1 18408602591516596379 13140716 1 18267591376442664545 13288520 33 18409730659738280183 13533116 47 17967526858110296138 13862211 1 18410854408489441487 14115302 16 17676774287218505950 14386348 63 17775289356788947318 15196674 1 18338800129949676373 16752209 62 18335136488301762307 16945 1 18411140217219626301 17349148 13 17603868897075411922 17492 89 17836360828527995207 17804303 29 18341613745903354777 18785283 64 17416673847165434464 18927931 339 18412830183075315223 19141452 34 17704075140041817639 200 152 16660361472105785404 20028762 73 17986114243717611311 20510252 161 18272654498027910249 21033648 29 17131538466879480168 21267235 1 18335990834432424139 2297311 6 18343029878320124676 2334 1 18051132794335946349 23366157 5 17899135202457393989 23402539 116 18412821399824853919 23557571 272 18272938189450325388 23559900 14 18341330076040360016 23845131 108 17407982993832908241 26918003 58 16774081790613357523 2748010 2 17978238158443074693 335352 9 18410573999012377429 34797466 226 18059868302866332900 4214541 1 18410292480447767936 43471831 8 18335419011193023235 474 4 17097226154173872100 5104073 3 18268720574604829081 559249 180 18041272171498451034 59755656 215 18338518543077521750 67856867 119 18188213233908396068 7495541 125 18202281437919680256 77492 1 17676774201619678060 8863177 126 17608385854611015971 > 409.58 11.31 2.05 0.95 8.67 0.88 -0.11 -3.71 1.49 -2.49 0.05 1.14 -0.06 -0.16 > 912.439 > 217.4 > 2 5 10 $$$$