222285 -OEChem-03302401473D 18 17 0 1 0 0 0 0 0999 V2000 0.9400 -0.9642 -1.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -1.4335 0.4619 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 0.4937 0.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7196 0.9795 -0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 -0.4595 0.2498 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7316 -0.1953 0.5195 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5975 0.8091 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3557 0.7703 -0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 -1.2331 0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 0.1899 1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 1.5822 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 1.2206 1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 1.7461 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3497 0.3529 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 -1.7578 -1.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 -1.2397 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9804 0.1220 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7347 1.3774 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 17 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END > 222285 > 0.6 > 2 13 17 6 3 18 5 10 1 8 15 4 14 19 16 11 7 9 12 > 12 1 -0.68 15 0.4 16 0.4 17 0.4 18 0.4 2 -0.68 3 -0.68 4 -0.68 5 0.28 6 0.28 7 0.28 8 0.28 > 3 > 8 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor > 8 > 2 > 0 > 0 > 0 > 0 > 1 > 1 > 0003644D00000002 > 14.5103 > 40.621 > 14390081 3 18341607118310134465 20096714 4 18262231127769998873 21040471 1 18114185172840019169 23235685 24 18412537691475880433 23552449 1 18263643029501674289 24536 1 17917156008925608626 29004967 10 17775014500214369530 5084963 1 18197221553763927032 > 141.16 3.36 1.22 0.81 0.52 0.19 0.11 -1.18 -0.01 -0.39 0.01 0.06 0.12 0.36 > 256.459 > 90.2 > 2 5 10 $$$$