BA8TK3 -OEChem-04022109213D 38 39 0 0 0 0 0 0 0999 V2000 -3.7452 -1.4340 -1.3762 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1162 -0.0970 0.6386 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6362 -1.6294 2.2793 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1786 0.3465 -0.0484 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9867 1.5987 -0.8289 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 -2.7805 0.2966 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2116 1.3097 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 0.9353 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8251 -0.0852 -0.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8838 1.6057 0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 -0.4355 -0.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5383 0.5020 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8294 0.2349 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2005 1.2555 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3637 -0.4714 0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7378 -0.3088 0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2373 0.8066 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 -1.6446 1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 1.7227 -0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9724 -2.0681 -2.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7474 0.6369 1.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3237 1.3866 -1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4313 2.3065 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2397 -0.5698 -1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8272 -0.5840 0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4049 2.4014 1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6721 1.8187 1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4288 -1.0434 0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3046 0.9541 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6666 2.6095 -1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6075 -2.8352 -2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1013 -2.5846 -1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 -1.3673 -3.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7633 0.2416 1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8439 1.6985 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2461 0.4804 2.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7501 -2.8084 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2244 -3.6235 0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 20 1 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 3 18 2 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 25 1 0 0 0 0 5 12 1 0 0 0 0 5 19 2 0 0 0 0 6 18 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 10 14 2 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$