18454345 -OEChem-10081923133D 14 13 0 0 0 0 0 0 0999 V2000 -1.5128 0.9281 0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6186 -0.0626 -1.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3457 -1.7373 0.2975 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4049 0.4574 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -0.4514 0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2122 0.6998 -0.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 0.1661 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0449 1.4094 0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 -0.0026 1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 -0.2406 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5977 1.1699 -1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0615 1.3569 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3008 -2.0123 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3814 1.3397 0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 M END > 18454345 > 0.4 > 1 6 12 10 11 8 9 7 5 2 4 3 > 8 1 -0.65 13 0.4 14 0.5 2 -0.57 3 -0.85 4 0.06 5 0.39 7 0.72 > 2 > 6 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 3 donor 1 6 hydrophobe 3 1 2 7 anion > 7 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0119974900000001 > 8.2401 > 30.499 > 137420 1 14888395391760470074 139733 1 18260828219705050952 16714656 1 17972049290288219462 20096714 4 18341899549832585896 21040471 1 18336259128365188152 24536 1 17968934167640853225 29004967 10 17682967587141352866 5084963 1 17967809483304545002 5943 1 14614910566027646179 > 127.34 2.45 1.19 0.98 0.71 0.58 0.1 -0.89 0.45 0.06 -0.12 -0.2 -0.17 -0.22 > 236.579 > 80.2 > 2 5 10 $$$$