B5U4AC -OEChem-04022107452D 42 45 0 1 0 0 0 0 0999 V2000 2.0000 -0.5584 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1137 -2.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 0.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 -0.5176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 0.5033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 0.4824 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8622 0.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1022 1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1022 -1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -0.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8461 2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6382 0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7441 2.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6462 2.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -1.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -2.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 -2.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -2.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0009 1.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4636 -1.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 -1.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5068 1.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7086 1.4961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9402 -1.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3388 -0.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6604 0.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3056 2.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1715 0.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 3.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1843 2.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3344 -1.6617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 0.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 -2.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7421 -3.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 -2.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 12 2 0 0 0 0 3 19 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 26 1 0 0 0 0 7 11 1 0 0 0 0 7 14 2 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 13 18 2 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$