BDO7H1 -OEChem-04012116472D 49 52 0 1 0 0 0 0 0999 V2000 8.1655 3.6292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 1.0414 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6334 2.6084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -0.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -3.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2995 2.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 1.0414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0315 2.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 -1.6322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -2.3367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 3.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4334 2.6292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5395 4.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6334 3.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5395 2.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2995 4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7694 4.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1655 2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 0.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9334 0.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -3.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -4.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -4.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4400 4.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9441 4.6336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1459 4.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0959 3.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1459 1.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9441 1.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6980 4.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 4.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0814 4.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2336 4.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 3.6176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2979 -0.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5685 2.4392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0315 1.5092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 -1.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 -3.4196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 -4.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 -4.5609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -3.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -4.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -4.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 19 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 22 2 0 0 0 0 5 26 1 0 0 0 0 5 28 1 0 0 0 0 6 12 1 0 0 0 0 6 19 2 0 0 0 0 7 17 2 0 0 0 0 7 21 1 0 0 0 0 8 19 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 43 1 0 0 0 0 10 23 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 6 0 0 0 12 15 1 0 0 0 0 12 17 1 6 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 1 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$