57187785 -OEChem-03282419203D 32 34 0 1 0 0 0 0 0999 V2000 -4.0592 -2.4526 0.5090 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5637 2.5556 0.3106 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9082 -1.1070 -0.8574 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6071 2.1569 -0.4923 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -0.4857 0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3289 0.5209 0.9407 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4720 -0.6617 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7799 -0.0591 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6232 -1.5839 -1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8798 -1.0044 0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0459 0.1400 0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5534 1.8729 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5475 1.1419 -0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8062 -0.9793 0.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7999 1.0741 -0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0792 -1.0732 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5713 -0.0553 -0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1612 -1.4604 0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3076 0.6997 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6169 0.2989 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 -1.0905 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7643 -0.0493 2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0639 0.9450 0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4314 -2.6044 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -1.6316 -2.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8503 -0.6318 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7449 -1.9987 1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -1.7565 -1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 2.9861 -1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 -1.7577 1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1763 1.8601 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5627 -0.1373 -1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 12 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 28 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 17 32 1 0 0 0 0 M END > 57187785 > 0.6 > 1 7 11 4 8 2 3 6 9 5 10 > 19 1 -0.18 10 0.27 11 -0.14 12 0.57 13 0.12 14 -0.15 15 -0.15 16 0.18 17 -0.15 2 -0.57 28 0.36 29 0.37 3 -0.9 30 0.15 31 0.15 32 0.15 4 -0.55 6 0.2 9 0.27 > 2.6 > 7 1 2 acceptor 1 3 cation 1 3 donor 1 4 donor 5 4 6 11 12 13 rings 6 11 13 14 15 16 17 rings 6 3 5 7 8 9 10 rings > 17 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 03689DC900000001 > 35.8263 > 35.611 > 10465860 71 18261399914227763364 11127187 94 18260828164134330855 11543360 7 15140682505293576779 11578080 2 16735197536601964332 12251169 10 12247667275512427747 12363563 72 18409452500582193963 13296908 3 18411697686051044530 14115302 16 17749389230667264991 14386348 63 18343863290432182023 14790565 3 17832424194395416101 15219456 202 18337663239105576329 15375358 24 18200298931885320069 16945 1 18262232197259235481 17834072 14 18412256229505066172 19141452 34 18272936059632233063 200 152 16844995823917620767 20201158 50 18342170029656121407 20645476 183 16732984185298452915 20645477 70 18267856375840775863 20671657 53 18408040718961630504 20871998 22 18411703226780292035 20871999 31 18261398831843426055 21501502 16 18335987557646839745 22182313 1 18116699893720025005 22213442 358 18412263938923818284 22721475 48 18341895181866592089 231179 274 11386363755394219670 23382010 3 16805613606654627098 23402539 116 18264478495546556862 23557571 272 18198901410221324136 23559900 14 18264759966502905810 2748010 2 18261943167719848721 3082319 5 16588028995707891934 474 4 14546440477090409530 5493415 88 18410006654357852824 5895379 119 13915646206359146503 5902787 121 18335696152425808834 7097593 13 13470414301370953550 7364860 26 18197779010169801280 77492 1 14261337068556784770 81228 2 18053388703848239536 84936 182 8357446689729284183 84936 31 17774427417093328984 8809292 202 18261108578148682875 9709674 26 18118117202900006699 > 335.89 6.88 2.33 1.15 0.18 0.6 0.15 -4.63 0.44 0.67 0.06 -0.5 -0.24 1.17 > 718.244 > 187.8 > 2 5 10 $$$$