BD7OC1 -OEChem-04022107113D 42 44 0 0 0 0 0 0 0999 V2000 -4.1666 -2.5415 0.0431 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1661 -2.5414 -0.0421 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3681 0.1133 0.0322 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 0.1135 -0.0318 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3947 1.4668 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3949 1.4674 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8859 1.4677 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8862 1.4680 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 1.4669 1.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 1.4671 1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 1.4672 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 1.4675 -1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7138 -0.2307 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7137 -0.2306 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 -1.5730 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0928 -1.5730 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6864 0.7688 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6865 0.7687 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4450 -1.9157 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4447 -1.9159 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0383 0.4259 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0385 0.4257 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4177 -0.9162 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4176 -0.9166 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2423 2.0122 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 2.0115 -0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2423 2.0121 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 2.0121 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2085 1.4646 2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2492 1.4647 2.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 1.4649 -2.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2085 1.4655 -2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 -0.6503 0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 -0.6500 -0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 1.8254 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 1.8254 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7402 -2.9608 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7396 -2.9611 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7961 1.2037 -0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7964 1.2033 0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4704 -1.1832 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4702 -1.1837 0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 33 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 34 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 19 2 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 19 23 1 0 0 0 0 19 37 1 0 0 0 0 20 24 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$