8063 -OEChem-09042103303D 16 15 0 0 0 0 0 0 0999 V2000 2.3182 0.9119 -0.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4055 0.1653 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7929 -0.4732 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6931 -0.8920 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8908 0.5787 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0779 -0.2907 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3032 0.7739 0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2889 0.8479 -0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 -1.0943 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9255 -1.1318 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6036 -1.5076 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6185 -1.5503 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8746 0.0998 -0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8061 1.2326 -0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8408 1.1995 0.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9026 -1.0243 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 M END > 8063 > 0.4 > 1 24 21 18 23 3 19 2 14 25 20 7 17 15 12 22 6 8 11 9 16 4 13 10 5 > 4 1 -0.57 16 0.06 4 0.06 6 0.45 > 3 > 2 1 1 acceptor 1 5 hydrophobe > 6 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 00001F7F00000001 > -1.8881 > 10.148 > 14390081 3 18413386540412029985 16714656 1 17489587865933988703 20096714 4 18411418449063388370 21040471 1 18338797926515376490 29004967 10 9511462225474516766 5460574 1 9223229650399717643 > 117.61 4.16 0.96 0.6 1.04 0 0 0.98 0.03 -0.19 0 0.04 -0.02 0 > 202.816 > 78.3 > 2 5 10 $$$$