B8AQP3 -OEChem-04012113323D 34 36 0 1 0 0 0 0 0999 V2000 -1.8699 3.7830 -0.5763 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6619 -0.4717 1.0073 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2797 -2.8081 -1.3489 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 -3.3261 0.2465 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5389 -0.1427 0.1836 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9198 1.2038 0.6391 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4226 -1.6237 0.4588 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5669 -0.4934 0.2314 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7697 1.8281 -0.2151 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4956 2.2069 0.1757 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0229 3.1268 -0.2445 N 0 5 0 0 0 0 0 0 0 0 0 0 0.5372 -1.1124 0.3750 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0652 -1.7155 -0.9177 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4694 -2.1175 -0.5115 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8803 -0.9750 0.4120 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5619 0.1688 -0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8835 -0.4138 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.1952 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 0.7711 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5979 1.7847 -0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 0.6968 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7697 -1.5652 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -1.8758 1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 -0.9701 -1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1366 -2.2838 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5181 -1.3251 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8902 0.5971 -1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 -0.1982 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6364 1.6162 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2977 -3.4853 -0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3261 -3.5312 0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2837 -2.5037 0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3507 2.7318 -0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7754 1.7263 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 13 1 0 0 0 0 3 30 1 0 0 0 0 4 14 1 0 0 0 0 4 31 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 10 2 0 0 0 0 6 16 1 0 0 0 0 7 17 2 0 0 0 0 7 22 1 0 0 0 0 8 21 1 0 0 0 0 8 22 2 0 0 0 0 9 21 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 22 32 1 0 0 0 0 M CHG 2 10 1 11 -1 M END $$$$