BK76HT -OEChem-04022107023D 49 51 0 0 0 0 0 0 0999 V2000 -5.6323 3.0738 1.0865 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.2505 2.1056 0.0045 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.6215 3.0515 -1.0933 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5522 -1.9021 0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 0.3923 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9348 -2.4259 -0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4021 -0.4771 0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -0.1068 -0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0448 0.8148 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8901 0.9998 1.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8872 0.9948 -1.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 2.3390 1.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6212 2.3332 -1.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4601 2.5171 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2859 -1.6446 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0008 -0.5780 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1598 -2.0352 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5023 -2.0978 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5033 -2.0982 -1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8863 -2.2303 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8853 -2.2306 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -2.2967 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 -1.2664 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1464 1.0253 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0661 -1.3786 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8039 -0.2000 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7607 1.0176 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9069 2.3033 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2763 1.5980 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6369 0.2058 1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2479 0.9410 2.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2429 0.9339 -2.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6336 0.2007 -1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2672 2.4109 2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 3.1544 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8913 3.1488 -1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2648 2.4007 -2.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 3.5132 -0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2807 1.7891 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0682 -2.2339 0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 -2.2578 -0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3479 -1.3974 -0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0428 -2.0468 2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0446 -2.0475 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4206 -2.2823 2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4188 -2.2829 -2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5607 -2.3432 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8887 -0.2562 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1926 1.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 16 2 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 23 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 22 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 M END $$$$