BMB91L -OEChem-04012119002D 40 42 0 0 0 0 0 0 0999 V2000 6.3301 -1.9050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -2.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -1.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9050 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -1.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 2.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 -0.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 1.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 11 1 0 0 0 0 1 21 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 3 38 1 0 0 0 0 6 40 1 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 23 1 0 0 0 0 20 32 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 24 35 1 0 0 0 0 25 27 1 0 0 0 0 25 36 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 27 37 1 0 0 0 0 28 39 1 0 0 0 0 M CHG 2 9 -1 12 1 M END $$$$