B4YQZ3 -OEChem-04012115052D 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 7.1727 0.5024 0.0000 N 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 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 -2.0530 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 7.1611 -0.4975 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 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 6.2550 -1.0114 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 6.3125 1.0124 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 11.5192 -2.0322 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 11.5192 -4.0322 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 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 7.7132 0.8062 0.0000 H 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 5.7193 -0.6993 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 6.8645 2.3161 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 11.5192 -1.4122 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 11.5192 -4.6522 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 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 2.3162 3.0957 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 1.6838 2.0290 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 17 2 0 0 0 0 3 9 1 0 0 0 0 3 17 1 0 0 0 0 3 29 1 0 0 0 0 4 10 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 13 2 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 33 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 0 0 0 0 19 24 2 0 0 0 0 19 35 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 $$$$