BXB9G7 -OEChem-04022107462D 45 48 0 1 0 0 0 0 0999 V2000 3.3646 0.3095 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0617 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3713 -1.4263 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9817 -2.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 0.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8641 -0.5176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0641 0.5033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8641 0.4824 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7301 0.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7301 -1.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9701 1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5961 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5961 0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9701 -1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0641 -0.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5061 0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6121 2.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5142 2.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -1.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 -2.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 -2.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 -2.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8688 1.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3316 -1.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1286 -1.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3747 1.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 1.4961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8082 -1.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2067 -0.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5283 0.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1736 2.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0394 0.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6097 3.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0523 2.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2024 -1.6617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 0.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0099 -2.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 -3.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -2.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 14 2 0 0 0 0 5 21 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 9 13 1 0 0 0 0 9 16 2 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 15 20 2 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$