BNLC90 -OEChem-04022106443D 40 42 0 0 0 0 0 0 0999 V2000 3.8813 -2.0324 0.7100 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 -2.0785 -0.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 2.3350 -0.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -0.0741 -0.6643 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3046 2.3004 0.7012 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 -0.0760 -1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7474 -0.1539 -1.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 0.0701 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5615 -1.0734 -1.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9907 0.9945 -0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 -1.0004 -1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2803 1.0675 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5481 0.1461 0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7387 -0.9042 -1.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 -0.4302 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5538 0.8044 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8321 -0.4389 1.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9466 0.3003 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8149 -0.4771 1.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8435 0.8778 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1219 -0.3655 2.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1275 0.2929 1.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -1.7648 1.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1609 1.6803 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1041 0.8573 -2.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -0.6729 -2.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2935 -1.9135 -2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 1.7767 -0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5639 -1.7866 -1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 1.9087 0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 0.8874 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3495 1.2659 -1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0599 -0.9559 2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7352 -0.1415 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6267 1.3905 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3431 -0.8209 2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1317 0.3500 1.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8129 -2.5613 2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9920 1.8382 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4913 3.2741 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 23 1 0 0 0 0 2 14 2 0 0 0 0 3 24 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 31 1 0 0 0 0 5 24 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 14 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 2 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 21 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$