BOUP85 -OEChem-04022110162D 21 22 0 0 0 0 0 0 0999 V2000 5.5443 1.1708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.4387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 0.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 M END $$$$