5161709 -OEChem-05072407053D 36 38 0 0 0 0 0 0 0999 V2000 4.2289 -0.3316 0.9788 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3856 2.0606 -1.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 2.9451 -0.9086 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4835 -1.0543 0.4508 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4443 -0.4901 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5295 0.2864 0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2772 0.6512 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -1.5221 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9421 -0.6527 -0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7735 0.9662 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5887 -1.7447 0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9238 -0.4107 0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3103 -1.0529 -1.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9237 1.9621 -0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 0.3019 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7588 -1.0996 1.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2716 -0.5687 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6581 -1.2108 -2.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 -0.9687 -1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 0.6432 1.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2222 1.2902 2.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -2.5510 0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8675 2.0110 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 -2.7878 1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6109 -0.1266 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5587 -1.2447 -2.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7982 0.8000 0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6435 -1.5939 1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9441 -1.5218 -3.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6869 -1.0929 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2843 1.4400 1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4436 0.1522 2.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6043 2.9630 -1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0325 2.0377 3.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9116 0.5376 2.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7297 1.7743 1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 14 1 0 0 0 0 2 33 1 0 0 0 0 3 14 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 14 1 0 0 0 0 8 22 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 15 2 0 0 0 0 10 23 1 0 0 0 0 11 16 2 0 0 0 0 11 24 1 0 0 0 0 12 17 1 0 0 0 0 12 25 1 0 0 0 0 13 18 2 0 0 0 0 13 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 19 2 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 20 21 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END > 5161709 > 0.6 > 1 14 22 9 11 5 19 18 13 27 10 23 4 20 16 28 21 7 3 24 15 26 12 25 2 8 17 6 > 30 1 -0.36 10 -0.11 11 -0.18 12 -0.15 13 -0.15 14 0.81 15 -0.15 16 -0.15 17 0.08 18 -0.15 19 -0.15 2 -0.65 20 0.28 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.57 30 0.15 33 0.5 4 0.33 5 -0.05 6 -0.2 7 -0.09 8 -0.3 9 0.05 > 4 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 3 2 3 14 anion 5 4 5 6 7 8 rings 6 4 6 10 11 15 16 rings 6 9 12 13 17 18 19 rings > 21 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 004EC2ED00000001 > 58.2527 > 40.754 > 10319926 262 18263629681418409282 10369192 42 17773873289530475312 11132069 177 18410862036192642383 12236239 1 16950857937511993310 12553582 1 18114758091692525179 12596602 18 17168136850251882536 12633257 1 18337658828411456216 12892183 10 18042666365797162946 13083527 12 17837200842278326743 13140716 1 18261691354077363281 13583140 156 18196632039823232882 13675066 3 18130516279414541979 14081887 123 18335135345829938153 14178342 30 17605261883839752538 14251764 38 16126988295678025457 14341114 328 18041553754471843144 15342168 16 17131826616609992632 15475509 35 16444205273277678289 16752209 62 17968669198518723973 16945 1 18189068512135865117 17349148 13 16732986401174523634 173720 79 16806727257937805717 18222031 100 18336837471750839543 18681886 176 17970090966117696862 19784866 240 15285631063206595794 200 152 15285359517830289127 20028762 73 18195548080573632419 204376 136 16917065594209289230 20600515 1 18261674873754968633 21033648 29 18131075918043039851 21069387 34 14634869721549769410 21304303 282 17028207378093552389 21486144 27 17489587853096891126 23366157 5 17243875750663472501 23402539 116 18335427841740482799 23532345 42 18408328799851158831 23557571 272 18337682909849797580 23559900 14 18264781960524182670 2748010 2 17467366525947566173 3004659 81 17022911146119487739 3009799 131 18261937623365371967 31174 14 17560529382903583534 3411729 13 18045513163930445044 394222 165 16662639776473774212 474 4 16487249993721480570 5104073 3 18043831964318915889 573450 72 17530686498347425171 5902787 121 18041856128405916343 6049 1 18128827356497415428 621550 34 18131633361458023062 633830 44 15338855152273154975 77492 1 16878239575216194526 81228 2 18118708538039034117 8272917 22 15841285743749944079 90316 7 18041276578182531981 > 409.58 9.81 2.09 1.88 0.78 0.4 -0.38 2.76 5.89 1.96 -0.49 0.27 0.65 3.05 > 902.237 > 220.8 > 2 5 10 $$$$