20578084 -OEChem-12282220493D 19 19 0 0 0 0 0 0 0999 V2000 0.3062 1.2049 -0.2011 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3063 -1.2049 -0.2013 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 0.0001 -0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 0.0000 -0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7574 0.0001 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1489 -0.0001 0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0295 1.1679 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0294 -1.1678 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2261 -0.0002 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6674 -0.8789 -1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6674 0.8791 -1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9069 0.8853 1.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2267 0.0000 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -0.8856 1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5068 2.1406 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5067 -2.1405 0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7421 -0.0015 -0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -0.8804 0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5457 0.8814 0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END > 20578084 > 0.4 > 1 2 > 10 1 -0.62 15 0.15 16 0.15 2 -0.62 3 0.14 4 0.48 5 -0.14 7 0.16 8 0.16 9 0.14 > 1 > 4 1 1 acceptor 1 6 hydrophobe 3 1 2 4 cation 6 1 2 4 5 7 8 rings > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0139FF2400000001 > 15.2201 > 20.297 > 10857977 72 18411416232549027481 11062470 55 16917351437341455849 14325111 11 18411984641395390788 15310529 11 16660363705346276708 16945 1 18410579491452492533 20645464 45 17917988386941837106 21040471 1 18339088085625647070 23235685 24 18412545405247310269 23402655 69 18195793082814029589 23552423 10 17826800540025836396 2748010 2 18050012099391279701 29004967 10 18334587832004627465 369184 2 18412535514153879450 5084963 1 18270691869819451748 > 175.25 4.37 1.18 0.73 0.68 0 0.06 0 0.95 -0.25 -0.06 0.29 0 0 > 352.82 > 103.4 > 2 5 10 $$$$