BB4I1G -OEChem-04012115042D 45 48 0 0 0 0 0 0 0999 V2000 2.8602 -2.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4407 -0.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9211 2.5322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1727 -0.5024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9211 0.5322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3241 -2.0123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 1.0114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0551 1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0551 2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7871 2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1611 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6531 2.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7871 1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1611 2.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4639 -2.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5192 2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6531 3.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -1.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 -2.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4754 -3.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3852 2.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5192 4.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6152 -4.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7435 -3.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3852 3.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3240 0.7222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1683 3.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7132 -0.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5192 1.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1162 3.8422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7193 2.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8645 -2.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 -1.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0159 -3.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9221 2.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5192 4.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 -4.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2102 -3.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9221 3.8422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6838 -2.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -2.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 -3.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 28 1 0 0 0 0 2 19 2 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 4 31 1 0 0 0 0 5 8 2 0 0 0 0 5 13 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 35 1 0 0 0 0 7 11 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 29 1 0 0 0 0 14 18 2 0 0 0 0 14 30 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 23 1 0 0 0 0 16 32 1 0 0 0 0 17 24 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 25 2 0 0 0 0 21 37 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 23 38 1 0 0 0 0 24 27 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$