EXO0116 -OEChem-04222009542D 47 50 0 1 0 0 0 0 0999 V2000 2.7896 2.4144 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6702 -0.4948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.8948 0.8016 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 -1.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5346 -2.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1819 -1.9754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0025 -0.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8261 3.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9437 -0.5074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 1.2053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1175 2.3946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9437 0.4926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4825 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8948 -0.8164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9354 0.4968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9354 -0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2916 0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2916 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2038 -1.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5577 1.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 1.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 2.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7299 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6081 3.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8398 1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 -0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 -0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0503 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8124 1.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4564 -1.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1744 1.0688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6560 0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7931 0.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9271 1.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9271 -1.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7931 -0.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6560 -0.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3915 1.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7262 -3.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8884 2.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1611 3.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3277 3.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 1.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9716 -1.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5296 -0.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 16 2 0 0 0 0 5 19 1 0 0 0 0 5 41 1 0 0 0 0 6 19 2 0 0 0 0 7 20 2 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 15 10 1 1 0 0 0 10 20 1 0 0 0 0 10 40 1 0 0 0 0 11 22 2 0 0 0 0 12 15 1 0 0 0 0 12 31 1 6 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 6 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 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 27 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$