7118 -OEChem-03282410373D 24 24 0 0 0 0 0 0 0999 V2000 -1.4729 1.6459 -0.4394 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3697 -0.8167 0.4851 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7574 0.4644 0.6153 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6662 -0.2209 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 0.6231 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7597 0.8192 -0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 -0.6130 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.4569 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 -1.6529 0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 -0.0111 -0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7185 2.5201 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -1.3011 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1054 1.7850 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9126 -2.2743 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4841 -2.6181 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -0.9451 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 0.7200 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7949 3.0233 0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 1.9672 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4408 3.2767 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8139 -2.2817 -0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1595 -0.5949 -1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1983 -1.4047 -0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 0.5888 0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 10 1 0 0 0 0 3 24 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 M END > 7118 > 0.6 > 1 7 5 9 3 4 6 8 2 > 16 1 -0.36 10 0.42 11 0.28 12 0.28 13 0.15 14 0.15 15 0.15 2 -0.36 24 0.4 3 -0.68 4 -0.14 5 0.08 6 -0.15 7 0.08 8 -0.15 9 -0.15 > 3 > 5 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 3 donor 6 4 5 6 7 8 9 rings > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001BCE00000001 > 49.57 > 25.376 > 11206711 2 18334299764063239781 12423570 1 11280019476086964668 13380535 21 18122359990194988478 14325111 11 18408887300534933710 14614273 12 18041835112967225269 14897335 6 18192144902246202381 15310529 11 15051466993586207830 15490181 7 17684087980947432101 16945 1 18335996353597235742 193761 8 18120655725586660587 20510252 161 18413672426489017456 20525323 117 18409449163323688819 21040471 1 18047197353766282844 21501502 16 18264489481883346666 23402539 116 18340194288976299566 23402655 69 18263062372315821247 23552423 10 18042691598123754670 2748010 2 18191313675687326102 353137 74 18260542308190803255 5084963 1 18272098209679261666 6333449 129 18340205198082344420 68250623 7 18194967339878415119 81228 2 18336841830788989649 > 229.35 4.6 2.11 0.8 2.23 0.93 -0.01 -0.21 -0.13 -1.61 0.33 -0.02 0.04 -0.28 > 468.331 > 134.4 > 2 5 10 $$$$