B5QTA0 -OEChem-04042103413D 36 38 0 0 0 0 0 0 0999 V2000 1.8769 1.5183 -0.9836 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4217 -1.5910 2.3237 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0134 1.7226 0.4636 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5072 0.5842 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 -0.5385 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 1.5846 -0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2185 0.4642 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 2.7905 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1188 2.7738 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -1.7105 0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6227 -0.4492 -0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 0.4155 -0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7385 4.0498 1.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9751 -2.7933 0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 -1.5317 -0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 -0.0374 0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3979 -0.2420 -1.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 -2.7038 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4138 -1.1480 1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 -1.3526 -1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1732 -1.8057 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 -0.4707 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 3.6579 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 -1.7990 1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8909 0.4549 -1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7247 4.8500 0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7744 3.9107 1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1498 4.3608 1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7237 -3.7055 1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4387 -1.4625 -1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0768 0.4785 1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3949 0.1064 -2.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8631 -3.5467 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7563 -1.8646 -2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7728 -2.6715 0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -1.0226 2.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 19 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 25 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$