B2XAU8 -OEChem-04022103433D 32 33 0 0 0 0 0 0 0999 V2000 -7.1951 -2.0189 -0.0656 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4237 -2.5337 -0.1282 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4509 3.3907 0.1728 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6933 2.1346 0.0676 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5677 -1.4601 -0.0614 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3382 -0.0973 -0.0248 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 -1.8794 -0.0899 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9119 0.6689 0.0338 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1356 2.1674 0.0915 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 1.1040 0.0456 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0227 0.4210 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 0.8142 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 -1.0469 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1752 0.0264 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1475 -1.4567 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 1.4264 0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3297 -1.2300 0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2638 0.6504 -0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5727 -1.8623 0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5068 0.0180 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6612 -1.2383 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5172 2.0018 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2892 0.2582 -0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 -2.8803 -0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 2.4833 0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4895 -1.7265 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1779 1.5968 -1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 0.0268 0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6785 -2.8411 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3434 0.5097 -1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2726 3.0961 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 2.1448 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 15 2 0 0 0 0 3 22 2 0 0 0 0 4 12 1 0 0 0 0 4 32 1 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 23 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 24 1 0 0 0 0 8 14 1 0 0 0 0 8 22 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 31 1 0 0 0 0 10 16 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 M END $$$$