BVA4P5 -OEChem-04022101362D 49 53 0 0 0 0 0 0 0999 V2000 10.2619 4.8301 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.2320 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.0254 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.0981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.6349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -4.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -4.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 -2.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5719 -0.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1419 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3819 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9519 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -2.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -5.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -3.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -5.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6419 3.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 1.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4519 4.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8819 3.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 6 9 1 0 0 0 0 6 33 1 0 0 0 0 7 12 2 0 0 0 0 7 21 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 10 12 1 0 0 0 0 10 18 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 22 1 0 0 0 0 17 38 1 0 0 0 0 18 23 1 0 0 0 0 18 39 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 26 2 0 0 0 0 21 27 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 30 1 0 0 0 0 24 42 1 0 0 0 0 25 31 2 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 32 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 M END $$$$