67326 -OEChem-03282419083D 17 17 0 0 0 0 0 0 0999 V2000 -3.1262 0.0001 0.2647 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1759 0.0000 0.7919 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 -0.0002 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4453 0.0002 -0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2755 -1.2081 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 1.2079 -0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1072 -1.2079 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 1.2079 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7985 0.0001 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7509 -0.8733 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7506 0.8741 -1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8024 -2.1562 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8026 2.1560 -0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6459 -2.1481 0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6456 2.1483 0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -0.8172 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9138 0.8168 1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 M END > 67326 > 0.4 > 1 > 15 1 -0.19 12 0.15 13 0.15 14 0.15 15 0.15 16 0.36 17 0.36 2 -0.99 3 -0.14 4 0.41 5 -0.15 6 -0.15 7 -0.15 8 -0.15 9 0.19 > 1 > 3 1 2 cation 1 2 donor 6 3 5 6 7 8 9 rings > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000106FE00000001 > 16.1076 > 15.223 > 10857977 72 18411696608045771856 14325111 11 18411703149354881500 15310529 11 16660364804910665028 16714656 1 18410860962002367134 16945 1 18410579482772887191 20645464 45 17917705812511520938 21040471 1 18338806597790414796 23235685 24 18411981351534818661 23402655 69 18195512707338410197 23552423 10 17827082015060588836 2748010 2 18050013194576298157 29004967 10 18334587831909662417 369184 2 18341041973907616386 5084963 1 18270411490080500620 > 172.96 3.77 1.29 0.7 1 0 -0.01 0 -0.68 -0.31 0.06 0.26 0 0 > 356.017 > 100.6 > 2 5 10 $$$$