B2VAI5 -OEChem-04022103142D 55 58 0 0 0 0 0 0 0999 V2000 8.8600 -1.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2646 2.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9794 3.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3075 0.0440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.0517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9682 1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9738 1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1744 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6386 2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 2.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6164 2.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0872 0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2868 2.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8718 2.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1134 2.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2416 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 0.9697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0128 2.8033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1663 3.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 2.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3831 1.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1416 1.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8341 -0.4317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6532 -0.1189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3404 0.7002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -2.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6802 3.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 25 1 0 0 0 0 2 52 1 0 0 0 0 3 26 1 0 0 0 0 3 31 1 0 0 0 0 4 25 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 34 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 14 1 0 0 0 0 10 19 1 0 0 0 0 11 17 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 14 2 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 21 1 0 0 0 0 14 35 1 0 0 0 0 15 20 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 25 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 20 45 1 0 0 0 0 21 23 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 47 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 30 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$