BUP9K7 -OEChem-04022115173D 39 42 0 0 0 0 0 0 0999 V2000 -4.1078 -2.8985 0.1934 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0524 -0.9896 0.0183 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 1.5038 -0.0554 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 -1.5703 -0.5356 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6097 -1.3632 1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2319 -1.9847 -1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -0.1330 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0459 -1.8448 1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6884 -2.4336 -1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0949 1.2595 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -0.6997 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 2.0508 -0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4017 0.1558 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3629 1.8641 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 3.4342 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7525 -0.3529 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4812 3.2499 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3355 4.0355 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7779 0.3810 0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0546 -0.1701 0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1714 -2.0738 -0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2635 -1.4204 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5928 -0.5162 2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9965 -2.1661 1.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5886 -2.8492 -0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -1.5692 -2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4252 -2.2330 2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7069 -1.0273 0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3469 -1.6191 -1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8035 -3.2573 -1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4413 -1.7770 0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2773 1.2760 -0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8071 4.0717 -0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4624 3.7138 -0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4184 5.1177 -0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6211 1.3530 1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8849 0.3726 1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2812 -3.0515 -0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2498 -1.8696 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 4 16 1 0 0 0 0 4 21 2 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$