19863888 -OEChem-04192415573D 37 39 0 0 0 0 0 0 0999 V2000 -5.3230 -0.4117 0.0978 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7268 -2.1642 -1.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5486 -1.0162 1.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9256 0.9130 0.0783 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7292 -1.4258 -0.8626 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 1.6132 -0.1995 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5073 -2.4863 1.5498 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 0.0881 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 1.1493 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 1.4580 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 0.2585 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5949 -0.2204 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9887 0.9791 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -1.1123 -0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 2.3497 0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4075 2.5016 0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8229 -1.2643 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6467 0.7015 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5463 -0.4350 0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8082 0.9349 -0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6074 -1.3381 0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8692 0.0320 -0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7689 -1.1045 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 -0.5456 -0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5905 1.7930 0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5568 3.1788 0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 3.4404 0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 -2.2045 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 2.5714 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 -0.6198 1.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 1.8164 -1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3306 -2.9000 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7735 0.2137 -1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6028 -1.8005 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4882 -1.1790 1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2751 -3.1431 1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -2.6592 2.0806 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 12 1 0 0 0 0 2 14 1 0 0 0 0 2 32 1 0 0 0 0 3 35 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 6 29 1 0 0 0 0 7 21 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 25 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 M END > 19863888 > 0.6 > 1 6 39 19 14 13 15 29 42 18 33 31 2 8 17 4 41 16 23 5 12 10 38 20 27 35 22 26 30 36 7 25 32 11 21 28 24 3 37 9 40 34 > 35 1 1.49 10 0.1 11 -0.15 12 -0.01 13 -0.15 14 0.08 15 -0.15 16 -0.15 17 -0.15 18 0.1 19 -0.15 2 -0.53 20 -0.15 21 0.1 22 -0.15 23 -0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.4 3 -0.68 30 0.15 31 0.15 32 0.45 33 0.15 34 0.15 35 0.5 36 0.4 37 0.4 4 -0.65 5 -0.65 6 -0.6 7 -0.9 > 3 > 12 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 6 donor 1 7 cation 1 7 donor 4 1 3 4 5 anion 6 18 19 20 21 22 23 rings 6 8 9 10 11 15 16 rings 6 8 9 12 13 14 17 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 012F195000000001 > 84.8745 > 60.978 > 11578080 2 18116687713494396372 11607047 403 14972597079523166567 12107183 9 17687180890388135832 12236239 1 18334017194049469708 12516196 113 18130787888751289960 12553582 1 18341883100656318996 12633257 1 17274822475846710896 12788726 201 18272098171140951760 13167823 11 18408605838543540068 13533116 47 18333448725416403562 13551218 46 18343022155557840174 13862211 1 18272368698345861767 14528608 73 7997970176057829259 15183329 4 18411980252434758157 15537594 2 18410011061522124422 15927050 60 17695344072666052820 17349148 13 17917712422144663725 17492 89 18192710034692304898 17804303 29 18131349717749927952 17857418 61 18410290302783096530 1813 80 18041288681801026468 19141452 34 17632577192520467734 19319366 153 18187079586059977170 19489759 90 15841558470400310595 20028762 73 17632010957334290559 20567600 75 17603299350152671719 21267235 1 18412553110782616748 21703447 108 17196272459020955663 22182313 1 17773325538774952093 22950370 63 18408323297781813920 2297311 6 18060147513941493724 23366157 5 17979628262599226441 23402539 116 17989485234423974061 23522609 53 18124065465874707585 23559900 14 17632295739509573752 3004659 81 18334858312360997572 335352 9 18342738525272334221 3411729 13 17344616266239489112 345986 75 18339349769709621552 350125 39 18413108342443027837 351380 3 18413107264606177030 4072396 5 18131632266420632773 46194498 28 16732985366577684900 465052 167 18411987974617060262 5104073 3 17845095250145571987 53794403 172 8069155836328252822 54039377 194 18262518071274812210 559249 180 18337668607550854644 59755656 215 18272939284350442967 6138700 20 18341897376769122719 7226269 152 17346324786806836113 8863177 126 18044667627030739955 > 443.74 14.54 2.3 1.03 0.27 0.26 -0.17 -6.07 -0.87 -0.55 -0.35 -0.19 -0.44 -1.37 > 965.45 > 241.9 > 2 5 10 $$$$