BABG96 -OEChem-04042105373D 40 42 0 0 0 0 0 0 0999 V2000 -3.1198 -4.6003 -0.6796 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0055 1.4177 0.8840 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4056 1.7133 0.6438 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4435 1.6185 2.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 0.7793 -2.0512 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0501 2.2340 -0.2943 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 0.3143 0.2442 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5118 -0.6297 -0.6296 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 1.8563 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7559 -0.2783 0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9909 1.1195 -0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7996 1.9671 0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 1.3770 -1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5368 1.5987 0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 1.0087 -1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7029 -0.9981 1.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6123 -0.8954 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 0.7357 -0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5061 -2.3345 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4156 -2.2318 -0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 -2.9514 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3759 -0.1366 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8712 -0.5208 1.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2289 -0.2090 -0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 -0.9593 1.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9581 -0.9949 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5327 2.4855 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1185 2.3716 1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9075 1.2835 -2.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1942 1.7462 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4393 0.6323 -2.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0274 -0.5426 1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4339 -0.3519 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 -2.8832 1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0896 -2.6992 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5106 0.2734 1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2436 -0.4829 2.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9533 0.0627 -1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5936 -1.2636 2.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9898 -1.3291 0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 5 18 2 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 7 18 1 0 0 0 0 7 22 1 0 0 0 0 7 36 1 0 0 0 0 8 24 1 0 0 0 0 8 26 2 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$