BB3C2K -OEChem-04042107433D 39 40 0 1 0 0 0 0 0999 V2000 -0.9500 -2.0518 -0.4905 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9672 -2.8242 -1.7179 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5613 -2.5812 0.7135 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2346 0.4694 1.4868 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1984 -0.8936 -0.3259 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5794 -0.5029 -0.7885 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1668 0.2815 0.3240 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0383 1.7778 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 2.2187 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 -1.6911 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6197 -0.1240 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 -1.4486 1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6746 -1.6578 -1.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 2.6443 0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 2.1899 -1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3735 -1.1257 0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4133 -1.1636 1.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -1.3727 -0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 3.0516 0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2953 2.5973 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0279 3.0281 -0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7952 -0.8214 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6594 0.0311 1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5034 2.3648 0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6059 2.0383 -0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 -0.2696 -1.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3514 -1.4662 2.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4041 -1.8390 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3407 2.6627 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5907 1.8606 -2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6881 -0.9688 2.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7424 -1.3419 -1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 3.3851 1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7567 2.5786 -2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 3.3436 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9702 0.2578 0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 -1.1684 1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -1.3231 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1766 0.2052 1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 4 11 1 0 0 0 0 4 39 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 18 2 0 0 0 0 13 28 1 0 0 0 0 14 19 1 0 0 0 0 14 29 1 0 0 0 0 15 20 2 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$