83887 -OEChem-09032121183D 16 15 0 1 0 0 0 0 0999 V2000 1.5137 -1.5919 -0.6067 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6025 0.1004 0.9014 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5048 -0.5767 1.4219 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7345 -0.8795 -0.9598 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6733 1.7493 -0.3626 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 0.6595 -0.5273 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6584 1.0848 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 -0.5349 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 -0.0111 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6276 0.4133 -1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0381 1.9597 -0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5626 1.3537 1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3321 2.5816 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 1.5018 -0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8728 -2.3640 -0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2895 -0.5980 0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END > 83887 > 0.6 > 1 8 12 6 2 11 10 4 5 3 7 9 > 13 1 -0.65 13 0.36 14 0.36 15 0.5 16 0.5 2 -0.65 3 -0.57 4 -0.57 5 -0.99 6 0.33 7 0.06 8 0.66 9 0.66 > 3 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 5 donor 3 1 3 8 anion 3 2 4 9 anion > 9 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 000147AF00000001 > 7.3555 > 40.713 > 137420 1 12954472541618673468 18185500 45 18270955851373299415 21040471 1 17977387466607265516 21922407 69 18130784620106792481 23552333 60 18410015454930660113 23552449 11 18114453509322016857 24536 1 18341323440183655167 29004967 10 17603304886006858753 5084963 1 17988085470048142179 > 156.76 2.9 1.45 1 1.35 0.23 -0.19 -0.34 -0.37 -0.79 0.27 -0.02 -0.23 -0.26 > 299.177 > 95.7 > 2 5 10 $$$$