BBO4A3 -OEChem-04022108393D 44 46 0 1 0 0 0 0 0999 V2000 -0.4632 -0.1008 0.0754 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 -2.6338 -0.1957 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3487 2.4228 1.4064 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3211 2.9697 -0.7997 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0308 -2.5817 -0.3242 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -2.0303 -0.3881 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2197 -0.5472 0.1571 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0273 0.2573 -0.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2933 -2.0326 -0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 -1.7287 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3512 1.6362 -0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8526 -4.0028 -0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 1.8389 0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 2.6817 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 -4.7242 0.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1929 -0.9634 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8206 3.1152 0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7746 3.9579 -0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9474 4.1747 0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5545 -0.2277 -1.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7218 -0.6528 0.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 -5.4600 1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4548 0.8302 -1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 0.4053 1.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9885 1.1468 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9275 2.2493 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5702 -0.4036 1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9761 -0.2523 -1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 0.3215 -1.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7364 -4.3879 -1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 -4.1469 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2062 1.0202 0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 2.5329 -1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5101 -4.6594 1.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7335 3.2841 1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0966 4.7836 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1811 5.1686 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -0.4688 -2.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4437 -1.2272 1.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 1.3954 -2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 0.6166 2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4272 -5.9685 1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 -5.5668 0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 3.1687 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 26 1 0 0 0 0 3 44 1 0 0 0 0 4 26 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 10 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 33 1 0 0 0 0 15 22 2 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 24 2 0 0 0 0 21 39 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$