7839 -OEChem-03292403003D 8 7 0 0 0 0 0 0 0999 V2000 2.3064 -0.1219 0.0140 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.3065 0.1218 0.0140 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4894 0.5743 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4893 -0.5742 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 1.1943 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3867 1.2098 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3865 -1.2098 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4036 -1.1941 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > 7839 > 0.4 > 1 3 2 > 4 1 -0.23 2 -0.23 3 0.23 4 0.23 > 1 > 2 1 1 hydrophobe 1 2 hydrophobe > 4 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001E9F00000001 > 0.6827 > 10.149 > 139733 1 9439406830544142820 16714656 1 18260266339056107149 20096714 4 18337390542946865129 29004967 10 16588026805390427168 5460574 1 9223234043850522627 > 94.2 3.78 0.83 0.68 0 0 0 0 -0.04 0 0 0 0 0 > 131.782 > 74.2 > 2 5 10 $$$$