10903 -OEChem-03282411133D 12 11 0 0 0 0 0 0 0999 V2000 -0.5233 0.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4954 -0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8469 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8191 -0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3995 -1.1496 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3994 -1.1496 -0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6561 -0.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9543 0.8051 -0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9544 0.8052 0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 -0.7217 -0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5592 0.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 -0.7217 0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 3 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 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 M END > 10903 > 0.4 > 1 2 3 > 3 1 -0.56 2 0.28 4 0.28 > 1 > 1 1 1 acceptor > 4 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00002A9700000001 > 3.8929 > 5.074 > 139733 1 18410856572719896262 20096714 4 9943514224197353963 21015797 1 17978229683691780326 5460574 1 18410856551065692230 > 76.45 2.52 0.72 0.59 0.11 0.04 0 -0.1 0 -0.03 0 -0.01 0.01 0 > 121.822 > 55.2 > 2 5 10 $$$$