B5SAQ2 -OEChem-04022106342D 44 46 0 0 0 0 0 0 0999 V2000 7.1962 0.3660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 1.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8241 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 0.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -1.4387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 -0.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1340 0.0000 C 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 8.9282 -1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3660 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 2.0000 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8241 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3241 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9331 0.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6341 -0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7871 -2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6341 -2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8610 -2.0560 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 6 1 0 0 0 0 1 10 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 25 2 0 0 0 0 6 14 1 0 0 0 0 6 30 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 33 1 0 0 0 0 8 13 1 0 0 0 0 8 18 2 0 0 0 0 9 18 1 0 0 0 0 9 25 1 0 0 0 0 9 38 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 27 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 32 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$