B8IGN1 -OEChem-04022103503D 40 41 0 0 0 0 0 0 0999 V2000 -4.5802 -2.5638 -0.4582 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.0743 -1.0159 -1.9304 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9267 1.8292 0.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4423 1.9262 -1.2347 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3005 0.9238 -1.3901 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9383 -1.5366 -0.7945 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0299 1.1819 0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4454 0.9803 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 2.5847 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -0.3999 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 2.8346 0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4704 -0.5765 -0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 -1.9432 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4366 0.7613 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 0.1946 -0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4700 -2.1111 -0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.2543 1.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0396 -0.9517 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 -0.8893 2.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8417 -1.4827 1.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 0.4173 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0294 1.0332 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4407 1.1265 -1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1046 1.7504 0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 2.7214 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1785 3.3415 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 -1.1713 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9912 -0.5599 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2889 3.8098 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0617 2.8017 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 -0.4664 -1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0978 0.2149 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9692 -2.0618 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4161 -2.7384 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5585 -2.0281 -1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8458 -3.0950 -0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 -1.3503 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5275 0.7114 2.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -1.3249 3.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3778 -2.3704 1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 5 15 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 M CHG 2 1 -1 6 1 M END $$$$