BMOH90 -OEChem-04022101232D 47 49 0 1 0 0 0 0 0999 V2000 3.2029 1.7320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2028 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4349 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5689 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 8.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1887 8.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 9.2314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6588 8.8654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6588 7.8654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7078 9.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7078 7.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6051 9.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6051 7.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 8.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 7.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 9.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 7.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 8.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 6.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 6.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 5.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 5.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 4.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 4.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7028 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5689 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 9.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 7.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 9.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 9.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 7.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 6.9900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 9.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3540 9.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3540 6.9938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 7.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8087 8.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 6.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 9.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 8.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 7.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 5.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 4.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 4.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9718 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 47 1 0 0 0 0 5 27 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 38 1 0 0 0 0 8 17 1 0 0 0 0 8 19 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 1 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 1 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 41 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 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$