B87ACE -OEChem-04042106263D 33 35 0 0 0 0 0 0 0999 V2000 2.1128 2.1593 -1.1513 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 -0.1261 0.2044 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 1.1000 0.7064 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9071 1.2944 0.7129 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9124 -0.6344 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 0.2091 -0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5005 0.1712 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -0.7494 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9172 -0.0059 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1074 -2.0120 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 -0.3250 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 1.6543 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 -2.5462 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -1.7027 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4737 -1.2818 0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7365 1.0972 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8496 -1.4548 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1123 0.9243 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5575 2.5803 0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6688 -0.3517 -0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5904 -1.7363 -0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2892 -2.6993 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1374 0.3185 -0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 -3.6184 0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4738 -2.1187 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8647 -2.1606 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3237 2.1002 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2836 -2.4478 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7505 1.7829 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3532 3.1087 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9911 2.0121 1.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8401 3.2935 1.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7402 -0.4862 -0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 21 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 17 20 2 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$