8655 -OEChem-03282415303D 23 23 0 0 0 0 0 0 0999 V2000 -0.6507 2.5116 0.0745 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 -0.9471 -0.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9951 1.7426 -0.2001 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2536 -1.8459 0.1124 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 1.1924 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3334 -0.5525 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0098 0.8014 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0068 -1.1240 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3303 0.2297 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -1.5152 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -2.1278 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0347 2.8266 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -1.1917 0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 0.4843 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5855 -2.5686 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 -3.1816 -0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5842 2.6212 -0.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1119 3.9175 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6109 2.5135 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4473 2.4318 1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9032 -2.0042 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4162 -0.2854 1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 -1.4885 0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 17 1 0 0 0 0 4 11 2 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 M END > 8655 > 0.6 > 2 3 1 > 17 1 -0.36 10 -0.15 11 0.42 12 0.28 13 0.28 14 0.15 15 0.15 16 0.06 17 0.45 2 -0.36 3 -0.53 4 -0.57 5 0.08 6 0.08 7 0.08 8 0.09 9 -0.15 > 3 > 5 1 1 acceptor 1 2 acceptor 1 3 donor 1 4 acceptor 6 5 6 7 8 9 10 rings > 13 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 000021CF00000002 > 51.6849 > 25.373 > 1 1 17185596815158008429 10130415 120 18335136552800495139 12423570 1 17244689401730474118 13140716 1 18410857676626718523 13380535 76 17981316794494000503 16945 1 18339367335804056054 19021347 4 17907297650432397545 193761 8 18410858767401088588 20711985 365 18409445886411302591 20871998 184 18201152174594645342 21040471 1 17978797800670200398 21501502 16 18409172112458880532 2334 1 18267024036457653447 23402539 116 18197197184267195749 23530152 11 17762905359856933469 23552423 10 18188494691303790838 23559900 14 17911524186985934662 241688 4 18410859892624127891 2748010 2 18340204197360044469 3071541 236 18119237381340516931 54173680 148 18337954493612004579 81228 2 18338240366624586043 > 244.06 4.07 3.07 0.67 2.05 0.82 0.04 -1.11 0.7 -2.71 0.11 0.2 -0.04 -0.23 > 508.325 > 140.3 > 2 5 10 $$$$