20241711 -OEChem-03292403083D 35 37 0 0 0 0 0 0 0999 V2000 -4.4464 0.5434 0.2262 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4904 -2.6883 -0.0103 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7315 1.0430 -1.3011 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4826 -0.4154 0.5668 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2043 1.7116 1.0527 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 -0.5338 -0.4484 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5119 -0.4699 -0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 0.3070 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 0.1670 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -0.3300 0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 -1.8609 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6098 1.6980 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9886 -1.7131 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7832 1.5501 -0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8267 -2.4772 0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3787 2.3141 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -0.1697 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 -0.7393 -0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5081 0.7620 0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6432 -0.3773 -0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8178 1.1241 1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 0.5544 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4693 2.3561 -0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9248 -2.2341 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7165 2.0636 -0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 -3.5533 0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8649 -1.4619 -0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3294 3.3886 -0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1581 -1.4657 -1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6997 1.2025 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2105 -3.6083 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4744 -0.8208 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 1.8448 1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5016 1.6491 -1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9050 0.8353 0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 31 1 0 0 0 0 3 34 1 0 0 0 0 6 9 1 0 0 0 0 6 17 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 14 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 35 1 0 0 0 0 M END > 20241711 > 0.6 > 2 9 8 3 7 4 1 5 11 10 6 > 33 1 1.49 10 -0.01 11 0.08 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 0.1 18 -0.15 19 -0.15 2 -0.53 20 -0.15 21 -0.15 22 -0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.4 28 0.15 29 0.15 3 -0.68 30 0.15 31 0.45 32 0.15 33 0.15 34 0.5 35 0.15 4 -0.65 5 -0.65 6 -0.6 9 0.1 > 3 > 10 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 6 donor 4 1 3 4 5 anion 6 17 18 19 20 21 22 rings 6 7 8 10 11 13 15 rings 6 7 8 9 12 14 16 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 13 > 0134DD2F00000002 > 82.3689 > 50.837 > 10 15 18270386301147427688 10319926 262 18340471328211727346 10411042 1 17905328781822458171 1100329 8 18335706108181164769 11045977 3 18201437008531102568 11112241 14 17129839846127204864 11132069 177 18408042913684565916 11578080 2 13540812741153053417 11646440 116 18342187682551950777 12011746 2 18411133619437774813 12035758 1 18336274521849743835 12236239 1 17167863058828894940 12390115 104 18127704737608717257 12403814 3 17095237016952353119 12616971 3 17022619810678061342 12633257 1 18340752824257228896 12838862 33 18336812131733904357 12969540 114 18338217302660607127 13140716 1 18264214784470355409 13402501 40 18343021090864464190 13544592 145 18272662220843254102 13583140 156 15984817198625846854 13862211 1 18407758149106129159 14341114 176 18413110567858293736 14787075 74 17989200443305476761 14790565 3 18336555966303435740 15042514 8 18263368147716838771 15099037 51 18335140903617657671 15196674 1 18337674234269014964 15209294 21 18130232553764315753 15375358 24 18273217503894852158 17804303 29 18411421756135562712 1813 80 17312823788431545148 19141452 34 18271807972742706342 19784866 170 18408325471009119283 200 152 16917348129910702318 20028762 73 18199192974293413719 20510252 161 18342456985269948096 20600515 1 18341065067694339237 21033648 29 18271511044474022376 21267235 1 18335712671244724803 21279426 13 18268432317436823294 21637258 2 15285641057690322273 22182313 1 18044097852278800487 23366157 5 17462569725576975524 23402539 116 18341044189831335542 23559900 14 18341339942144287070 23845131 108 17475522672416165873 335352 9 18408888446943217941 34934 24 18335132068896602119 350125 39 18264496259752910571 3545911 37 18412265030446846182 5104073 3 18263364853318485928 5385378 56 18264213513371227515 59755656 215 18337956684573106470 7226269 152 18407758131588708256 > 428.14 11.94 2.29 0.93 7.52 0.65 -0.04 -1.87 -1.65 -1.51 0 0.23 -0.24 0.8 > 935.3 > 231.8 > 2 5 10 $$$$