B4KT7N -OEChem-04022108333D 42 43 0 1 0 0 0 0 0999 V2000 5.1780 0.8149 -0.5619 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3037 -1.7769 -0.0832 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0952 2.5349 0.8071 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2236 -2.6892 -0.4235 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5361 -1.7872 -0.8549 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8558 0.5150 0.1213 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4824 0.4097 -0.0387 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6858 -1.9606 1.5708 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5316 0.3720 -1.1837 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3671 -0.4190 1.1455 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5709 -1.0834 -1.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3516 -1.8855 0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0957 -2.0574 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9342 0.9923 -1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6415 -0.2593 2.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 1.4765 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7715 1.2977 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2943 0.0216 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5549 2.4145 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6633 -0.1455 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 2.2475 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 0.9675 -0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 0.9637 -1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4108 -0.1452 1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1861 -1.1552 -2.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5593 -1.3935 -1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3188 -2.2389 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8187 -2.5221 1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1682 -1.8941 -0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9832 -3.0868 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6138 0.4545 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3849 0.9908 -2.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8855 2.0342 -0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6568 0.7843 2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5989 -0.5910 2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1378 -0.8570 3.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 -0.4289 -0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.8476 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1381 3.4172 -0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5444 3.1254 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0996 -2.5933 2.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6791 -1.9754 1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 16 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 16 1 0 0 0 0 7 37 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$