24413 -OEChem-03292404373D 12 11 0 0 0 0 0 0 0999 V2000 2.0105 -0.0005 0.1202 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0104 0.0005 -0.1203 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 -0.0491 -0.5176 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5078 0.0491 0.5176 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9621 0.0497 -1.2023 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 -0.0488 1.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 1.2584 0.8232 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -1.2600 0.7957 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1668 -1.2589 -0.8232 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 1.2596 -0.7956 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6955 0.7045 -1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7438 0.6089 1.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 M END > 24413 > 0.6 > 1 > 12 1 1.67 10 -0.65 11 0.5 12 0.5 2 1.67 3 -0.18 4 -0.18 5 -0.68 6 -0.68 7 -0.65 8 -0.65 9 -0.65 > 3 > 8 1 10 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 4 1 5 7 8 anion 4 2 6 9 10 anion > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00005F5D00000001 > 0.7359 > 40.717 > 12932741 1 18059851783403649756 12932764 1 18410855464423129094 14390081 3 18335693953365779181 15310529 11 18040722450075735447 23235687 12 18131629001934238145 3248919 1 17168134641868142864 369184 2 18411692193151655339 8030462 33 18113893862161464455 > 166.54 5.06 1.11 1.09 0 0 0 0 0 0 0 0 0 0 > 292.633 > 109.1 > 2 5 10 $$$$