26985 -OEChem-03282414253D 10 9 0 0 0 0 0 0 0999 V2000 1.0224 -0.0790 0.0843 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 0.0783 0.0851 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5149 0.6771 -1.2723 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5152 -0.6650 -1.2783 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 0.6835 1.2307 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3065 -1.4943 -0.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4741 -0.6952 1.2244 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3068 1.4946 -0.0297 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2755 1.6316 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1754 -0.2764 -2.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 M END > 26985 > 0.4 > 1 2 > 10 1 1.48 10 0.5 2 1.48 3 -0.68 4 -0.68 5 -0.65 6 -0.65 7 -0.65 8 -0.65 9 0.5 > 1 > 8 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 4 1 3 5 6 anion 4 2 4 7 8 anion > 8 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000696900000001 > 3.1472 > 40.718 > 21040471 1 18117560630492971913 24536 1 18113053826666731889 29004967 10 18196636605062043779 5084963 1 17975135344739650149 5943 1 12492889799493755817 > 137.12 2.26 1.24 1.24 0 0 -0.06 0 -0.05 0 -0.02 0 0 0 > 237.142 > 91.3 > 2 5 10 $$$$