BBR1V2 -OEChem-04012113132D 33 34 0 0 0 0 0 0 0999 V2000 5.4641 1.4227 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 1.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0773 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -0.6120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 1.4574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5773 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -1.2319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 7 29 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 14 18 2 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$