BH8QO1 -OEChem-04042104223D 53 55 0 0 0 0 0 0 0999 V2000 -7.6316 -0.9348 -0.4847 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7544 0.7331 -0.2523 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4356 -1.1666 -0.9313 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4431 1.5914 0.2125 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3440 0.2343 -0.9761 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6405 -2.1686 -1.2541 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8083 2.4799 -0.9971 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.0884 2.1654 1.1574 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3201 -0.2189 -0.0232 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4584 -0.6422 0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0507 -0.5548 1.0052 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5402 1.8757 0.0679 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6710 -0.6010 1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4938 -0.1318 -1.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 -0.1566 1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 -0.9993 -1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6908 0.0210 -0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0691 -0.7666 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3317 -0.3822 1.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 0.9063 -1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5502 -0.6233 0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5767 1.1473 -1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.3824 0.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4361 0.5029 -0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 0.4609 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 0.1293 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9591 -0.4952 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5811 0.8255 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2396 1.1377 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 -1.1915 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9956 -1.5038 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2682 -1.2912 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 -0.1345 2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 -1.6895 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0492 -0.4780 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2037 0.9129 -1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7337 -0.4948 2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 0.9383 1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5215 -2.0548 -0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6293 -0.9174 -1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5412 0.6561 1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -1.0619 2.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5616 1.4360 -1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1859 -1.3308 1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4606 -1.4508 1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9768 1.8388 -1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5930 -0.8864 1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9497 2.1685 0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9327 -2.0011 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2631 -2.5405 -0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3156 -1.5822 1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6967 -2.1147 1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1926 -0.3986 1.7585 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 27 1 0 0 0 0 1 32 1 0 0 0 0 2 24 1 0 0 0 0 3 18 2 0 0 0 0 4 25 2 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 25 1 0 0 0 0 11 45 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 25 26 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 30 31 2 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M CHG 2 7 -1 12 1 M END $$$$