149096 -OEChem-05231323003D 46 49 0 1 0 0 0 0 0999 V2000 -1.6954 -2.8989 -0.2014 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 1.7595 0.2511 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -2.4088 -0.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6199 -1.2542 -0.6385 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 0.6276 0.6121 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 -0.3486 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8461 1.3746 0.1655 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5669 -0.1342 -0.1096 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5512 -0.9730 1.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3853 -0.1080 -1.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 2.7168 0.1438 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3384 -0.5623 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.2982 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4488 0.5071 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8858 -0.2358 1.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7244 0.6021 -1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0942 2.6867 0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4128 -1.0234 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 -1.8632 -0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2037 1.1260 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 -2.0994 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1371 3.2138 -1.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8787 -1.2731 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8641 0.5237 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -0.0847 0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2315 -0.1688 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7356 -2.0249 0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0354 -0.9472 2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 0.5161 -1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5398 -1.0645 -1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9097 3.4113 0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5117 -0.7883 1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7114 0.7619 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5444 1.6263 -0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2296 0.6763 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0215 2.4267 1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 3.6756 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 2.0351 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8817 -3.1218 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 4.2158 -1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 3.2678 -1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5148 2.5534 -1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7696 1.5447 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5060 -0.0455 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3880 0.5669 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5963 -1.3448 -0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 23 2 0 0 0 0 4 26 1 0 0 0 0 4 46 1 0 0 0 0 5 26 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 24 1 0 0 0 0 9 15 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 17 1 0 0 0 0 11 22 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 20 25 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 M END > 149096 > 0.8 > 1 5 2 3 4 6 > 28 1 -0.19 10 0.37 11 0.37 12 0.1 13 0.1 14 0.08 15 0.27 16 0.27 17 0.28 18 0.09 19 0.19 2 -0.36 20 -0.05 21 -0.15 23 0.47 24 0.27 25 0.03 26 0.71 3 -0.57 38 0.15 39 0.15 4 -0.65 46 0.5 5 -0.57 6 -0.84 7 -0.57 8 -0.81 9 0.37 > 3.8 > 13 1 2 acceptor 1 25 anion 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 7 cation 1 8 cation 3 4 5 26 anion 6 12 13 14 18 19 21 rings 6 2 7 11 13 14 17 rings 6 6 8 9 10 15 16 rings 6 7 13 18 20 23 25 rings > 26 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 0002466800000001 > 89.0332 > 66.455 > 10411042 1 18123188996325169506 10673678 19 17387153033727586884 10688039 33 18041279872364484468 10906281 52 18271542956338935284 10967382 1 18411981364725799026 1100329 8 18339080513877983098 11421498 54 13695854901207637965 11646440 116 18272093811580094561 12011746 2 18411420600520191830 12035758 1 18335413599370186960 12166972 35 18131348648545547937 12236239 1 17489586766712602135 12516196 113 18272367572605611089 12553582 1 18411973659596746050 12788726 201 18269550555232994224 12838862 33 18339905083390752296 13004483 165 18336817590362907722 13140716 1 18196092372459839834 13402501 40 18333446517856025949 13583140 156 17821447984763400043 13862211 1 18412540998890744714 14170010 4 18411417323993122337 14464042 87 18060423482654093121 14790565 3 18340214007055416104 14840074 17 17988923370901840236 14955137 171 18340217369966900939 15081414 286 18341056246099817228 15099037 51 18410572911557411247 15196674 1 18339642372767325210 15849732 13 18060419123098510479 1601671 61 18409165510798494088 16087824 20 18338519621552240501 16945 1 18412262878288539632 17349148 13 17775291590314352931 17357779 13 18339069415598393180 18785283 64 18042976569161607565 19141452 34 18202281441829681494 200 152 18059851753396965809 20642791 178 18044943617439584772 20739085 24 18195550124153930609 21029758 11 18343578538627429176 21033648 29 18188192265698526709 21033650 10 15911955814290393539 21236236 1 18270683052484312505 21267235 1 18412270506224329822 21279426 13 18192991517862707325 21285901 2 18339928100109689286 21641784 216 18115887225688974956 21709351 56 18409722998307967351 21792934 111 18268134388841321946 21792961 116 17968374542430150766 221357 26 18409440363621722749 22182313 1 18263622040265991948 23402539 116 18202278108639485270 23559900 14 18199181962044167816 23569943 247 17557722277741349750 2748010 2 18267299833572046828 3004659 81 18186803574180732052 3178227 256 18335149691569281427 335352 9 18411701006308593462 34934 24 18411974784941734386 350125 39 18410294705178082385 4340502 62 16805322180370918170 5104073 3 18266735973249180842 59755656 215 18339084796398668966 7495541 125 17676776464972490961 > 489.37 12.21 2.85 0.94 6.31 1.11 0.07 -1.31 -0.24 -1.62 0.29 0.68 0.26 0.37 > 1072.629 > 265.7 > 2 5 10 $$$$