BH3W7I -OEChem-04042102013D 42 44 0 0 0 0 0 0 0999 V2000 3.1190 -1.0043 -2.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7472 0.8170 -0.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 3.1264 -0.2487 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 0.2296 -0.2115 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1834 2.7874 0.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9863 1.9479 1.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 2.4808 -0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2248 0.4615 1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7728 0.9837 -0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8752 -0.6908 -0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.3623 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4573 -0.7954 -0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6309 -1.4336 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9127 -2.5675 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 -0.8467 0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4474 -2.6389 0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8244 -3.2059 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 0.5386 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0791 -1.6665 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3669 1.1038 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3516 -1.1011 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4955 0.2840 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4956 2.5522 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 2.5778 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9508 3.8528 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0941 2.2723 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 2.1183 2.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4695 3.0283 -0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7582 2.8305 -1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0635 0.1093 1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3468 -0.0881 1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9547 0.7684 -1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 0.6268 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 0.1283 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 -3.0168 0.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2585 -3.1562 1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9692 -4.1405 1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 1.2039 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0155 -2.7507 0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2268 -1.7453 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5595 3.1360 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7169 1.7838 -0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 22 1 0 0 0 0 2 42 1 0 0 0 0 3 23 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$