B1WOD6 -OEChem-04012113592D 44 47 0 0 0 0 0 0 0999 V2000 9.7260 -3.2320 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2320 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 1.0368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.5727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 0.2321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 1.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 0.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1060 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3460 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5360 -2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3460 0.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 6 23 1 0 0 0 0 6 44 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 8 39 1 0 0 0 0 9 19 1 0 0 0 0 9 21 2 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 40 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 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$