BCTM76 -OEChem-04042104373D 44 46 0 0 0 0 0 0 0999 V2000 -8.4785 0.4461 0.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 -0.4932 1.5434 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4701 -0.0230 0.0858 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8022 -1.1514 0.4353 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8773 -0.0862 -1.3302 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2904 1.4798 0.2908 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 0.6092 -0.9920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3378 -1.5813 -0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2498 -0.5657 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -2.1373 -0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5921 -0.0385 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 -2.0626 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1046 -0.5921 -1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8072 -1.5546 0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3985 -0.0843 -1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2633 0.4268 -1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2151 0.0038 1.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 -1.1292 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1799 0.9770 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5571 0.9346 -1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5089 0.5116 1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5631 1.5201 0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6728 0.3009 0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6226 2.6951 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7324 1.5944 0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -2.8843 0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8086 -2.6874 -1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1842 -2.8377 1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 -0.2179 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -1.9816 1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 0.7013 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8312 0.3848 -2.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7211 -0.3186 2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0716 1.2861 -1.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9826 0.5460 2.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6340 2.1953 1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8566 2.0841 -0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7136 2.7514 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5732 2.7122 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1104 3.5674 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9367 2.2905 1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1815 0.6254 0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1712 1.9741 -0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3641 0.8381 0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 44 1 0 0 0 0 2 23 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 23 1 0 0 0 0 4 18 2 0 0 0 0 5 7 2 0 0 0 0 5 18 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 18 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 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 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$