BW61IC -OEChem-04022109122D 48 50 0 0 0 0 0 0 0999 V2000 2.0000 -2.4254 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8544 2.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 2.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7826 1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4525 0.5879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9166 -0.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 0.6154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 -0.3846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -0.9087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 -0.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1846 0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3185 1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8544 1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 -0.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0945 -0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0945 1.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0506 1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 0.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8544 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 -0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9166 0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -0.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -0.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7860 0.1405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5831 0.1405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7171 1.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9200 1.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1016 -1.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1016 1.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4491 1.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6521 1.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 -0.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6527 0.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8544 -1.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3267 -1.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3175 2.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -2.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7219 0.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -3.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 -0.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3196 0.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 14 1 0 0 0 0 2 43 1 0 0 0 0 3 21 2 0 0 0 0 4 24 1 0 0 0 0 4 48 1 0 0 0 0 5 23 2 0 0 0 0 6 24 2 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 8 15 2 0 0 0 0 8 22 1 0 0 0 0 9 16 1 0 0 0 0 9 23 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 17 1 0 0 0 0 11 22 2 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 24 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 40 1 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 M END $$$$