BHAE52 -OEChem-04022109513D 45 47 0 1 0 0 0 0 0999 V2000 2.0602 0.1441 1.5512 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4687 -0.4694 -0.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 1.2779 2.4557 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4928 -1.1633 2.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8405 3.0011 0.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0156 1.5460 -0.6771 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9027 0.5524 0.1294 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.4649 -0.2512 -0.5572 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 -0.5243 -0.8876 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2790 0.2395 -2.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4838 1.7952 -0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 1.3727 -2.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3559 -1.3417 -0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4213 -0.0259 0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4249 1.0836 0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0144 -1.2811 0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 0.8855 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1378 -0.3485 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 -1.4525 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 1.8262 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9466 1.0389 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6599 -1.1767 -0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2227 -1.3502 -1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9472 -2.0417 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7913 -3.3364 0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 -1.1785 -0.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0567 -0.3856 -3.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.6512 -2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3184 2.5029 -0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 2.2969 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4582 2.1938 -2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2644 1.0030 -2.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -2.0740 -1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2255 -1.8876 0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1261 2.0579 1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6429 -2.1465 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6223 -2.4271 -0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4797 -0.4564 -0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 -1.9042 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5573 -1.6804 0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9646 -0.9451 -1.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5674 -2.0171 -1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6549 -1.4583 0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3532 -3.7845 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1054 -3.9674 -0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$