BB25XZ -OEChem-04022107513D 57 59 0 1 0 0 0 0 0999 V2000 -3.9143 -1.0589 -1.8728 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0791 -1.9832 0.1228 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2221 2.5953 -0.4638 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6801 -0.8437 0.1129 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4873 -1.3823 1.6885 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2014 0.0800 1.2359 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7975 2.9019 -1.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0418 1.4400 -0.2132 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5299 0.7920 1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2285 1.7554 -1.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6213 1.6411 1.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0304 0.5394 -0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7405 1.9510 0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8031 0.2581 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7666 -0.6336 -0.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 -1.6115 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5198 -1.7156 0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3774 -2.2636 -1.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 -2.4717 0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6943 -2.5814 1.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 -3.1236 -0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -3.0196 -1.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6457 -1.1657 0.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 0.6675 0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7769 1.9305 1.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1053 -0.0162 -0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9258 2.5096 0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2541 0.5630 -0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6645 1.8259 -0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8416 2.4197 -0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5444 2.3873 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9210 -0.2136 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7177 0.6887 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7010 0.8304 -1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8685 2.2885 -2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1854 2.5787 2.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0319 1.1167 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7106 1.0139 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5034 -0.4097 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4654 2.6207 1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2784 1.0325 0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9938 2.7799 -1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3157 1.2018 0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0868 -0.2569 0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7075 -0.4036 1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6297 -1.2071 1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 -2.2323 -2.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3541 -3.4323 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2486 -2.7618 2.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6525 -3.7146 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1216 -3.5277 -2.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1771 -0.6517 2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 0.6379 1.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2102 2.4739 1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8518 -0.9953 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2329 3.4948 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8203 0.0187 -1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 23 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 42 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 45 1 0 0 0 0 5 20 1 0 0 0 0 5 23 1 0 0 0 0 5 52 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 6 53 1 0 0 0 0 7 30 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 46 1 0 0 0 0 18 22 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 M END $$$$