BS31QN -OEChem-04022108383D 46 49 0 1 0 0 0 0 0999 V2000 0.6430 -2.4801 -1.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.7419 2.4211 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5562 3.4243 0.2526 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7760 3.3934 -1.8036 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8068 -4.1976 -1.5808 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7877 2.9638 -0.6251 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7834 -3.6932 0.4272 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 0.3930 0.0045 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4980 -1.0416 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 0.5813 1.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2544 -0.8422 0.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1928 -1.2586 0.8037 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0693 -1.4389 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 0.2189 1.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2372 0.7679 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5001 -2.5339 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 -0.1330 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -3.0681 -0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1272 0.5316 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6863 1.3480 -1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0113 0.3914 1.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1547 0.3567 -0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4715 0.8767 0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0306 1.6930 -1.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7614 -3.1743 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 1.4200 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0303 1.3853 -1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9232 1.4574 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8964 1.9169 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1901 1.0770 -0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1545 -1.7569 0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7242 -1.1170 -1.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 1.6273 1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 -0.0558 2.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -1.5055 1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8281 0.0590 1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0014 1.5346 -2.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0145 0.0136 2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4877 -0.0432 -1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1683 0.6879 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3827 2.1442 -2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -4.7117 -1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 -4.5129 -2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5473 1.8095 1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0095 1.7473 -2.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9702 1.7247 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 14 2 0 0 0 0 3 6 1 0 0 0 0 4 6 2 0 0 0 0 5 18 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 29 1 0 0 0 0 7 25 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 35 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 19 23 1 0 0 0 0 19 36 1 0 0 0 0 20 24 2 0 0 0 0 20 37 1 0 0 0 0 21 26 1 0 0 0 0 21 38 1 0 0 0 0 22 27 2 0 0 0 0 22 39 1 0 0 0 0 23 28 2 0 0 0 0 23 40 1 0 0 0 0 24 28 1 0 0 0 0 24 41 1 0 0 0 0 26 29 2 0 0 0 0 26 44 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 2 3 -1 6 1 M END $$$$