BLAO89 -OEChem-04042102363D 41 44 0 0 0 0 0 0 0999 V2000 -0.7271 4.0552 -0.4993 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5941 -2.3131 0.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -3.5667 0.5076 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 1.8978 -0.1243 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1881 0.9961 -0.0702 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8633 2.7038 -0.2194 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9819 3.7544 -0.3646 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3963 1.4458 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7586 2.8920 0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1534 1.6042 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5089 0.4503 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7737 3.2503 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6818 0.2695 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 0.6517 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4306 -0.6698 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9349 -0.2350 1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -0.5128 -1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6522 -0.2788 0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4698 -1.6003 -0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5807 -1.4048 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 -1.5245 1.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -1.8024 -0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 -2.3083 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4565 -3.4412 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4381 -4.3133 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7975 3.1017 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6317 3.0640 1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 1.5069 1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5776 -0.8364 -1.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7398 0.3635 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7447 -0.1314 -2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5129 -0.1239 1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3506 -2.4511 -1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6407 -1.9133 2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6241 -2.3566 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3520 -4.0579 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4242 -3.1408 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5983 -4.0607 -0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8322 -5.2889 -0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -3.8397 -1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 -4.5006 -1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 20 1 0 0 0 0 2 24 1 0 0 0 0 3 23 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 21 1 0 0 0 0 16 30 1 0 0 0 0 17 22 2 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$