B3RTG9 -OEChem-04022106322D 41 43 0 0 0 0 0 0 0999 V2000 2.8660 -0.6340 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9580 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 0.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -1.4387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -0.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9580 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4580 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 0.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 -0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9211 -2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7680 -2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9950 -2.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 25 2 0 0 0 0 7 15 1 0 0 0 0 7 28 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 8 33 1 0 0 0 0 9 14 1 0 0 0 0 9 19 2 0 0 0 0 10 19 1 0 0 0 0 10 25 1 0 0 0 0 10 35 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$