BG7PE2 -OEChem-04022112373D 56 57 0 1 0 0 0 0 0999 V2000 -3.7481 2.2399 0.5265 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 2.4510 -0.6884 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9964 1.8516 -2.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3177 2.6472 1.8515 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6297 3.1500 -0.5966 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6696 2.5318 1.6079 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2685 1.5301 0.0484 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2004 1.9441 1.1754 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0452 -3.2830 -0.0449 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -4.0439 1.9781 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6463 1.8531 0.3221 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2869 0.8186 1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3816 -0.5783 0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 -1.4831 0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 -2.7714 0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5132 -0.9616 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4593 2.0513 -0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 -3.7388 0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2098 1.9569 0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1126 1.4684 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 -3.1549 -0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6007 -2.2499 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1828 0.6475 -0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8541 -0.2660 0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8521 0.3034 -1.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8642 -1.8676 -1.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1948 -1.5234 0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1928 -0.9542 -1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2286 -3.2122 -1.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5734 2.6431 -1.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6495 2.8251 0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 1.1471 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 0.7751 2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0704 0.9491 -0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4578 -1.1765 1.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3380 -0.2713 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5585 -4.6924 0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2315 1.8470 -0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1081 0.3739 0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6413 -4.1546 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4824 -2.5488 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 1.6720 2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1147 -0.0219 1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3267 0.9980 -2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6676 -3.9958 0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1609 -3.2059 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -4.3537 2.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7746 -3.2004 2.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7178 -2.2266 0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9305 -1.2104 -2.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2196 -3.1770 -2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5033 -3.5508 -2.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2402 -3.9632 -0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5603 2.9562 -1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1633 3.4282 -2.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6791 1.7053 -2.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 23 1 0 0 0 0 2 17 1 0 0 0 0 2 30 1 0 0 0 0 3 17 2 0 0 0 0 4 19 2 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 7 34 1 0 0 0 0 8 20 1 0 0 0 0 8 42 1 0 0 0 0 9 18 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 18 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 21 2 0 0 0 0 16 22 2 0 0 0 0 16 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 43 1 0 0 0 0 25 28 2 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 M END $$$$