637147 -OEChem-03282414353D 14 13 0 1 0 0 0 0 0999 V2000 -2.1053 0.7409 0.0442 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3803 -0.0945 -0.3714 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7589 0.7108 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4143 -1.5224 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1411 0.1652 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 -0.0891 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6476 0.7512 1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 1.7487 -0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2824 -2.0660 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -2.0818 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4737 -1.5494 1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 0.8461 0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2707 0.0673 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3136 -0.8110 0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END > 637147 > 0.4 > 1 2 3 > 2 1 -0.23 2 0.23 > 1 > 3 1 1 hydrophobe 1 5 hydrophobe 3 1 2 4 hydrophobe > 5 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 0009B8DB00000001 > 1.4136 > 16.168 > 139733 1 9725431594818253574 16714656 1 18333734619376423988 20096714 4 18412822477961826169 21040471 1 18410291406373478636 24536 1 18122608716067276500 29004967 10 9511451247511825413 5460574 1 8790885185404397861 5943 1 13610346856936072495 > 108.84 2.75 1.31 0.69 0.05 0.57 0 -0.92 0.01 -0.22 -0.1 -0.05 -0.01 0.02 > 171.447 > 79.7 > 2 5 10 $$$$