BSQ50Y -OEChem-04022110023D 52 55 0 1 0 0 0 0 0999 V2000 -1.4643 0.8819 -1.9315 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 0.8287 0.3343 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0695 0.9051 0.1386 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3668 -1.5253 -0.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3922 0.7712 0.1934 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1048 1.4946 1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8567 -0.6652 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 0.9100 -0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 2.1218 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0819 0.8807 -0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 -0.2945 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 2.0725 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3773 -0.2423 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6504 2.9411 1.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1983 -1.6777 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9426 -0.9748 -0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 3.3582 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 -1.4351 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0807 3.2766 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6256 -3.0000 0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3701 -2.2969 -0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 4.5472 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 4.5060 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7116 -3.3096 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8281 -1.9716 -1.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3218 -2.0483 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6072 -3.1215 -0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1008 -3.1981 1.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7435 -3.7347 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6391 1.2942 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9213 0.9704 2.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1894 1.4762 1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5618 0.7819 1.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 3.4978 0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2325 3.4355 2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 3.0057 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3605 -1.4664 1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4652 -0.1947 -1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6933 3.4256 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 3.2713 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1151 -3.7882 1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2161 -2.5380 -1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5534 5.5007 -0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6175 -1.5516 -0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 -2.3989 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9778 5.4289 0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0450 -4.3390 -0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5056 -2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8274 -1.6426 2.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 -3.5393 -1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -3.6756 2.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -4.6299 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 2 33 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 4 11 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 6 14 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 15 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 9 17 2 0 0 0 0 11 13 1 0 0 0 0 12 19 2 0 0 0 0 13 18 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 20 1 0 0 0 0 15 37 1 0 0 0 0 16 21 2 0 0 0 0 16 38 1 0 0 0 0 17 22 1 0 0 0 0 17 39 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 20 24 2 0 0 0 0 20 41 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$