16213299 -OEChem-03192403373D 12 11 0 0 0 0 0 0 0999 V2000 -2.7421 0.9820 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7423 -0.9819 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2353 -1.2426 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2351 1.2425 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 0.4357 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 -0.4357 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 -0.0721 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8932 0.0721 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 1.5094 -0.0005 H 1 0 0 0 0 0 0 0 0 0 0 0 0.3538 -1.5094 0.0004 H 1 0 0 0 0 0 0 0 0 0 0 0 -3.6810 0.6976 0.0001 H 1 0 0 0 0 0 0 0 0 0 0 0 3.6811 -0.6974 -0.0010 H 1 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 M ISO 4 9 2 10 2 11 2 12 2 M END > 16213299 > 0.4 > 1 4 5 3 2 > 12 1 -0.65 10 0.15 11 0.5 12 0.5 2 -0.65 3 -0.57 4 -0.57 5 -0.14 6 -0.14 7 0.71 8 0.71 9 0.15 > 2 > 6 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 1 3 7 anion 3 2 4 8 anion > 8 > 0 > 0 > 1 > 0 > 4 > 1 > 1 > 00F7653300000001 > 12.6202 > 30.559 > 12932764 1 17530677688920971619 14325111 11 18410574002368250080 14390081 3 18341047501319854585 19973954 147 18410294730694360265 21040471 1 18338516468776368898 23552423 10 18260830410027790478 29004967 10 16773801398084131674 3248919 1 18412254051803614263 5460574 1 9223237342385405952 > 141.16 4.29 1.14 0.56 0 0 0 0 0 0 0 0 0 0 > 272.791 > 85.1 > 2 5 10 $$$$