7840 -OEChem-03292402033D 11 10 0 0 0 0 0 0 0999 V2000 2.2106 0.1830 -0.0105 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 0.4983 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.6017 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0227 -0.0797 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5031 1.1272 0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4836 1.1537 -0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 -1.2326 -0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -1.2259 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 0.7256 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1815 -0.6825 -0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2035 -0.7128 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 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 M END > 7840 > 0.4 > 1 3 2 > 2 1 -0.23 3 0.23 > 1 > 2 1 1 hydrophobe 1 4 hydrophobe > 4 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001EA000000001 > -2.1337 > 10.149 > 139733 1 9007057967644567817 16714656 1 18273215317550620670 20096714 4 18410856581483995128 21015797 1 9222354434696014411 5460574 1 9295291638067811616 > 88.26 3.18 0.8 0.65 0.36 0.01 0 -0.18 0.02 0.06 0 0.07 -0.01 0 > 131.25 > 66.2 > 2 5 10 $$$$