68295 -OEChem-03282417553D 12 11 0 0 0 0 0 0 0999 V2000 -3.0418 -0.2337 -0.3687 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0405 -0.2286 -0.3703 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 -1.2215 0.4518 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 0.0536 -0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2605 0.8154 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2552 0.8148 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -0.1170 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2685 1.8190 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2892 0.9220 1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2849 0.9194 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2622 1.8194 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -1.0728 1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M END > 68295 > 0.4 > 1 6 7 4 2 3 5 > 7 1 -0.19 12 0.4 2 -0.19 3 -0.68 4 0.28 5 0.19 6 0.19 > 2 > 4 1 1 hydrophobe 1 2 hydrophobe 1 3 acceptor 1 3 donor > 6 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00010AC700000001 > 7.2382 > 20.297 > 11062470 55 8574712399111444541 14325111 11 18410011039519559316 14390081 3 13045943512140464911 16714656 1 18113903757961319212 20651381 32 17749106660589951278 21293036 1 18114184154832601980 29004967 10 11527950079521162117 5460574 1 8286199444282051964 > 141.48 5.42 1.08 0.8 0.01 0.04 -0.07 0.82 -1.01 0 0.09 0 0.07 0 > 211.263 > 108.5 > 2 5 10 $$$$