69722041 -OEChem-03292410593D 32 32 0 1 0 0 0 0 0999 V2000 2.5608 -1.3128 0.4449 P 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 0.1496 -1.4784 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1512 1.0471 0.2900 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8441 2.7174 -0.8266 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9334 -1.6608 -0.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4825 -2.2906 -0.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 -1.4397 1.9376 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8564 0.7103 0.3329 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 3.5934 0.7339 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0796 2.1502 0.5381 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1769 1.6158 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3981 0.1275 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3063 1.9213 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 0.2766 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -0.7621 -1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3279 -0.3566 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8775 -2.1360 -0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5325 -1.7304 0.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8074 -2.6201 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1415 1.6715 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9491 1.8549 -1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1322 2.1159 -0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 0.1136 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 3.9177 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 3.7912 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9505 -0.3991 -1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 0.3262 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3142 -2.8287 -1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -2.1076 1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 -3.6898 0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3914 -2.5051 -0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4987 -3.2479 -0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 3 14 1 0 0 0 0 4 13 2 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > 69722041 > 0.8 > 1 4 25 31 29 44 54 18 50 48 34 40 12 3 45 2 55 39 28 35 5 32 42 16 43 36 23 58 15 9 27 37 53 24 21 41 14 46 22 38 6 49 56 10 52 13 8 57 11 51 7 30 17 26 47 33 19 20 > 29 1 1.24 10 0.33 11 0.14 12 -0.14 13 0.57 14 0.98 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.34 23 0.37 24 0.36 25 0.36 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.34 30 0.15 31 0.5 32 0.5 4 -0.57 5 -0.77 6 -0.77 7 -0.7 8 -0.73 9 -0.99 > 6 > 9 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 donor 1 9 cation 1 9 donor 4 1 5 6 7 anion 6 12 15 16 17 18 19 rings > 19 > 1 > 0 > 0 > 0 > 0 > 1 > 2 > 0427DFB900000001 > 1.2477 > 45.707 > 104564 63 18269839718037594887 10618630 7 18410013255796452623 11321824 6 18271512148586104615 11578080 2 17750211682851283684 12382932 28 18272088322617099471 12506688 2 18338517542359937497 12553582 1 18339924913012041303 12596599 1 17842866531059334539 13140716 1 18411409605404180715 14081887 123 18271789247007010600 1420 336 18336826390334159283 14251705 54 18336548308292065003 14251711 518 18411411838903433335 14251740 79 15752356951333435918 14787075 74 18046908457587497844 15375462 189 18263084469073303931 16752209 62 18196083353102539925 20291156 8 18408887351520880642 20442098 301 18341890805226534010 20645477 70 18047181140850627775 21452121 199 18265880522716012817 21634736 98 18334303054535799734 21731516 1 18339077198131562399 22445834 79 17765724903118765547 2255824 54 17759807335369150245 23184049 29 18410848846079155040 23728640 28 18122895435309832323 2748010 2 18340756092041298124 34934 24 18340201994279484105 7097593 13 18124888004135730563 7364860 26 17695632140364938577 81228 2 18195791990889665249 > 346.87 5.94 3.63 1.12 1.41 1.9 0.12 -4 0.81 -0.74 0.27 0.24 -0.26 -0.45 > 701.205 > 203.9 > 2 5 10 $$$$