70309 -OEChem-03282419143D 16 17 0 0 0 0 0 0 0999 V2000 -1.3611 -2.3677 0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 2.3679 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0595 0.0000 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4116 -0.7026 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4116 0.7026 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9649 -1.2293 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9648 1.2294 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5873 -1.4262 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5874 1.4261 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7847 -0.7049 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7848 0.7049 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5925 -2.5101 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 2.5100 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7323 -1.2375 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7325 1.2374 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 M END > 70309 > 0.4 > 1 > 16 1 -0.57 10 -0.15 11 -0.15 12 -0.15 13 0.15 14 0.15 15 0.15 16 0.15 2 -0.57 3 -0.57 4 0.09 5 0.09 6 0.48 7 0.48 8 0.57 9 -0.15 > 0 > 5 1 1 acceptor 1 2 acceptor 1 3 acceptor 5 4 5 6 7 8 rings 6 4 5 9 10 11 12 rings > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000112A500000001 > 34.871 > 25.461 > 10967382 1 18410574015232046470 11206711 2 18337391517762101477 12423570 1 10685609621556209418 12524768 44 18412549824737223782 12897270 3 18339080492392493044 13380535 76 18412258445724320454 16945 1 18410573985357166470 193761 8 18410856559924632678 19973954 147 18410577258201542716 20588541 1 18341335568991931450 20871998 184 18201442535716305615 21040471 1 18338797789134341348 2334 1 17978511167353351586 23552423 10 18189054372765974822 23559900 14 18127700323584831462 2748010 2 18051412061034698780 5084963 1 18058726897019372747 528886 8 18339637957551455554 > 229.35 3.76 2.13 0.59 0.45 0 0 0 0 -0.55 0 0.05 0 0 > 509.884 > 123.2 > 2 5 10 $$$$