BHC3S5 -OEChem-04022109402D 48 51 0 0 0 0 0 0 0999 V2000 4.5981 -0.3776 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.1824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.6224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 0.6224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.3776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 2.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 -1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.2950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.9853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.8526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.8526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.4324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5065 2.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1097 2.9670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 2.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 -1.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1097 -1.7222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5065 -0.9403 0.0000 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 4 1 0 0 0 0 1 16 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 21 1 0 0 0 0 5 23 1 0 0 0 0 5 42 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 27 1 0 0 0 0 7 22 1 0 0 0 0 7 23 2 0 0 0 0 8 25 2 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$