8685635 -OEChem-04262420033D 42 44 0 0 0 0 0 0 0999 V2000 -2.9361 1.3581 -0.1652 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 3.4862 -0.8847 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 2.5561 1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9521 -0.5546 0.0554 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5765 -1.1948 -0.0908 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5577 0.1288 -0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7733 -0.7175 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -0.0427 -0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -0.7743 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5435 -0.6098 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 1.2896 -1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 0.3632 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9431 -0.9784 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4433 -1.3213 -0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4646 -0.0609 1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8365 -1.2671 -0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8575 -0.0068 1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6847 0.7427 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9375 -1.9736 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 -1.1776 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6952 0.1379 1.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6487 -0.2619 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2822 -1.6030 0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3041 2.4818 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0807 -1.6261 0.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5794 1.5909 -1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 1.0150 -1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9034 -1.8364 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9416 0.4111 2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3233 -1.7511 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 0.5158 1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9783 1.7877 0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6623 -3.0243 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7573 -1.0524 -0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4025 -0.7281 -1.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 -2.2569 -1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7752 0.0956 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5260 -0.3180 2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4271 1.1997 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6983 0.0103 0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0457 -2.3705 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0651 4.2713 -0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 24 1 0 0 0 0 2 42 1 0 0 0 0 3 24 2 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 8 2 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 9 25 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 24 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 19 2 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 23 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > 8685635 > 0.8 > 1 4 11 3 7 9 10 2 12 8 6 5 > 34 1 -0.08 10 0.1 11 0.2 12 0.04 13 0.23 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.65 20 0.37 21 0.37 22 -0.15 23 -0.15 24 0.66 25 0.15 28 0.15 29 0.15 3 -0.57 30 0.15 31 0.15 32 0.15 33 0.15 4 -0.84 40 0.15 41 0.15 42 0.5 5 -0.57 6 -0.09 7 0.03 8 0.33 9 -0.18 > 5 > 8 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 acceptor 3 2 3 24 anion 5 1 5 8 12 13 rings 6 12 13 18 19 22 23 rings 6 7 10 14 15 16 17 rings > 24 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 0084884300000001 > 76.6744 > 40.725 > 10 15 18201427109074538874 11315181 36 18342178873806056947 11524674 6 16917065564361206095 11646440 116 18412553115040700243 12166972 35 17531249452817301988 12236239 1 17167861937573658594 12516196 113 18411138034616506727 12623949 98 17489040248945860558 12730499 353 17917711284606363486 13288520 33 18409449189921752119 13402501 40 18343584036006440766 13673619 4 17846222116652118646 13685833 64 18341897402491551067 13782708 43 17987239937349427062 13899415 154 18201444709339093848 14341114 176 17846498153308767339 14347332 77 18044371626796510410 14955137 171 18272652380482386953 15183329 4 8070036583758954494 15849732 13 18059855069438694999 15927050 60 17693378154587031788 17492 89 18048600619131713363 1813 80 18260551108251927364 18222031 100 18335419066863378978 18335252 98 18342459245129393402 18681886 176 18411414055512597291 200 152 15574712469694965294 21033648 144 13973379371689714723 21033648 29 17560503029084118483 21033650 10 17242750675052461287 21267235 1 18334862749320897971 21304253 13 18343300370538595008 22224240 67 17846771932036931934 2297311 6 18412831256858992638 23035841 295 18333449828716836738 23402539 116 18409443674867375950 23557571 272 18341055112492143492 23559900 14 18410568531392324473 23622692 118 18057593468942650751 249057 3 18408602570548006253 3004659 81 18113903771009680156 335352 9 18408038499655756109 3411729 13 18118119406002471224 350125 39 18335140908477549589 4073 2 18341051903756876242 4325135 7 18333453153791267532 5104073 3 18058162826644243498 5486654 2 18186805773019871506 59755656 215 18340491080065383206 67856867 119 18267584787931501925 7495541 125 17894917373121468443 8863177 126 17533233083769337211 9962374 69 18267019643492742831 > 476.06 16.88 2.29 1.02 1.8 1.99 0.04 -7.93 1.49 -0.8 -0.39 1.23 0.1 0.77 > 1019.068 > 265.6 > 2 5 10 $$$$