Version2.1 2020-12-17T11:18:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)OCC(=O)N2CCSC23CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5 C16492383 RHF 6-31G(d) (6D,7F) c1ccc(cc1)OCC(=O)N2CCSC23CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5 C01[X(C26H35N3O3S1)] 198 C1 569 O=C(N1CCSC21CCN(CC2)C(=O)NC12CC3CC(C2)CC(C1)C3)COc1ccccc1 O=C(N1CCSC21CCN(CC2)C(=O)NC12CC3CC(C2)CC(C1)C3)COc1ccccc1 O=C(COc1ccccc1)N2CCSC23CCN(CC3)C(=O)NC45CC6CC(CC(C6)C4)C5 InChIKey=MEBQQQVRSZBHFX-UHFFFAOYSA-N InChI=1S/C26H35N3O3S/c30-23(18-32-22-4-2-1-3-5-22)29-10-11-33-26(29)6-8-28(9-7-26)24(31)27-25-15-19-12-20(16-25)14-21(13-19)17-25/h1-5,19-21H,6-18H2,(H,27,31) InChI=1/C26H35N3O3S/c30-23(18-32-22-4-2-1-3-5-22)29-10-11-33-26(29)6-8-28(9-7-26)24(31)27-25-15-19-12-20(16-25)14-21(13-19)17-25/h1-5,19-21H,6-18H2,(H,27,31)/f/h27H c1ccc(cc1)OCC(=O)N2CCSC23CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5 C01[X(C26H35N3O3S1)] 198 C01 569 O=C(N1CCSC21CCN(CC2)C(=O)NC12CC3CC(C2)CC(C1)C3)COc1ccccc1 O=C(N1CCS[C@@]21CCN(CC2)C(=O)N[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)CO[C]1[CH][CH][CH][CH][CH]1 O=C(CO[C]1[CH][CH][CH][CH][CH]1)N2CCSC23CCN(CC3)C(=O)NC45CC6CC(CC(C6)C4)C5 InChIKey=MEBQQQVRSZBHFX-ZHVWDZEKSA-N InChI=1S/C26H35N3O3S/c30-23(18-32-22-4-2-1-3-5-22)29-10-11-33-26(29)6-8-28(9-7-26)24(31)27-25-15-19-12-20(16-25)14-21(13-19)17-25/h1-5,19-21H,6-18H2,(H,27,31)/t19-,20+,21-,25- InChI=1/C26H35N3O3S/c30-23(18-32-22-4-2-1-3-5-22)29-10-11-33-26(29)6-8-28(9-7-26)24(31)27-25-15-19-12-20(16-25)14-21(13-19)17-25/h1-5,19-21H,6-18H2,(H,27,31)/t19-,20+,21-,25-/f/h27H 3609.5326507562 -1790.4412712 1-A 26576.0874 126 443 569 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.94279 -20.59622 -20.53461 -20.49993 -15.60456 -15.56401 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 12.1700 15.6517 23.3984 29.2798 38.3826 49.8834 57.3368 66.2926 87.4940 98.5313 122.8839 142.7217 160.7244 179.6645 188.7990 220.7879 221.3182 246.2623 263.0986 276.2692 290.1070 293.5538 317.3280 324.1794 336.4290 388.8882 395.5469 421.1675 433.1008 435.5486 442.7491 458.4175 462.5337 475.3864 477.3239 483.7709 490.6445 498.8346 508.9310 519.7681 548.0500 569.7639 571.3067 599.3374 617.2058 659.7971 672.0879 675.7901 682.1133 701.6168 703.3157 705.6702 767.4274 770.0244 779.9687 805.2749 833.9936 850.0668 857.6958 863.5382 868.8339 873.9627 877.7586 928.3940 931.1179 944.4167 950.8223 978.4990 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378.54 397.49 417.40 422.36 456.56 466.42 484.05 559.52 569.10 605.97 623.14 626.66 637.02 659.56 665.48 683.98 686.76 696.04 705.93 717.71 732.24 747.83 788.52 819.76 821.98 862.31 888.02 949.30 966.98 972.31 981.41 1009.47 1011.91 1015.30 1104.16 1107.89 1122.20 1158.61 1199.93 1223.06 1234.03 1242.44 1250.06 1257.44 1262.90 1335.75 1339.67 1358.80 1368.02 1407.84 1410.15 1418.62 1424.93 1446.47 1446.91 1457.70 1471.31 1478.13 1519.50 1528.83 1543.45 1555.07 1560.26 1567.93 1572.24 1572.68 1605.90 1616.43 1620.16 1627.98 1634.45 1641.94 1644.12 1652.85 1653.67 1681.89 1709.01 1744.74 1754.13 1761.03 1764.57 1769.44 1783.89 1789.97 1802.58 1812.03 1849.79 1856.32 1864.78 1888.70 1902.96 1905.30 1920.33 1933.90 1953.97 1967.63 1990.30 2029.12 2047.20 2051.20 2052.26 2059.72 2070.69 2085.08 2089.52 2091.24 2102.98 2116.58 2126.64 2135.49 2139.07 2141.08 2143.33 2171.20 2186.26 2187.51 2204.56 2208.67 2211.33 2212.91 2222.15 2228.95 2250.51 2256.12 2315.10 2326.61 2338.62 2349.99 2350.83 2353.82 2354.12 2362.31 2370.63 2373.75 2375.91 2378.15 2399.48 2405.87 2411.97 2415.27 2455.61 2573.79 2604.68 2736.85 2819.92 4566.79 4584.23 4585.51 4587.68 4590.83 4607.61 4608.08 4620.53 4621.41 4624.28 4628.86 4635.21 4636.17 4639.75 4643.96 4647.16 4648.74 4677.30 4686.23 4712.57 4713.71 4726.68 4735.31 4747.00 4749.52 4751.59 4771.99 4821.38 4832.44 4846.96 4859.72 4871.67 4889.94 4892.79 5575.09 0.633575 0.660180 0.661124 0.572954 -1789.807696 -1789.781091 -1789.780147 -1789.868317 2.957236D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE c1ccc(cc1)OCC(=O)N2CCSC23CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5 C16492383 RHF 6-31G(d) (6D,10F) C1 469.239914 |X|Y|Z| 52.506804 29.679679 151.453690 61.799489 31 6 7 8 16 26 3 1 1 |36.858105| |13.688345|36.858105| |7.918218|13.831981|36.858105| |6.846163|7.941520|13.673892|36.858105| |7.898952|6.873090|7.921529|13.755930|36.858105| |13.818738|7.979423|6.894507|7.945674|13.685593|36.858105| |4.610725|5.303184|8.214704|14.085796|7.852035|5.191560|73.516695| |3.793797|4.000848|5.285087|8.050786|6.732206|4.515031|24.468427|36.858105| |2.971912|3.200418|4.088872|5.221678|4.394586|3.333463|14.346635|12.445006|36.858105| |2.846575|3.176544|4.113059|4.848727|3.882583|3.062297|13.111847|8.037869|15.930240|73.516695| |2.551024|2.662216|3.221436|3.981256|3.649179|2.882022|9.420978|7.780556|14.025704|15.009229|53.358707| |2.541300|2.555418|2.992829|3.759676|3.728907|2.960782|8.175164|6.852782|7.748134|9.467834|17.674418|36.858105| |2.122784|2.125987|2.422082|2.898971|2.898565|2.420664|6.028020|4.466449|5.154009|7.270951|10.750862|12.543950|36.858105| |1.927124|1.972019|2.256539|2.614899|2.518725|2.135647|5.515652|3.849136|4.864700|7.454214|9.942630|7.296427|10.594992|388.023441| |2.147534|2.253759|2.663508|3.105592|2.851782|2.360077|6.967059|4.924576|7.602680|11.881778|17.355917|7.579220|7.292547|73.426779|36.858105| |2.049640|2.188207|2.587033|2.912993|2.614217|2.201425|6.485483|4.208310|6.166898|11.403464|10.062908|5.104940|4.823612|50.056134|12.272839|36.858105| |1.998452|2.176470|2.582015|2.807328|2.458533|2.098780|6.220173|3.758529|5.315354|11.551349|7.336122|3.882974|3.634325|32.983441|7.216331|12.385005|36.858105| |1.860688|2.011027|2.351479|2.543242|2.262264|1.952383|5.505770|3.337698|4.534755|9.476145|6.436898|3.559144|3.489280|30.712493|6.429492|7.687349|13.075623|53.358707| |1.985518|2.130703|2.505259|2.768717|2.476007|2.110032|6.063321|3.797287|5.285257|10.650769|7.638264|4.118254|4.009428|32.699169|7.370248|6.570521|7.900352|17.814805|36.858105| |2.000086|2.101449|2.454454|2.798630|2.577832|2.173799|6.113637|4.112966|5.809649|10.030585|10.273293|5.505206|5.773146|48.765219|12.299496|7.436268|6.484370|10.572506|12.452908|36.858105| |1.640463|1.756149|2.010316|2.149813|1.950595|1.714311|4.503684|2.713538|3.462352|6.852319|5.035113|2.999585|3.081878|27.456908|4.915728|5.686061|7.611679|18.831818|7.885583|5.959666|36.858105| |1.555645|1.649689|1.869113|2.003719|1.844577|1.631145|4.138000|2.513433|3.124614|5.980372|4.624701|2.858121|3.028622|26.241227|4.418924|4.584063|5.362767|11.479166|7.089990|5.795874|15.776096|73.516695| |1.547165|1.660289|1.886155|1.989165|1.805461|1.603186|4.111900|2.431389|3.016527|5.972548|4.305801|2.629701|2.681951|23.950965|4.023988|5.004059|6.659877|11.180221|5.223893|4.351187|13.928742|14.961139|53.358707| |1.382815|1.473899|1.648957|1.725185|1.585953|1.427368|3.490812|2.052509|2.456049|4.747608|3.510268|2.231480|2.312125|20.167541|3.160024|3.703006|4.415934|6.991467|3.874355|3.412231|7.604066|11.850005|17.689080|36.858105| |1.334788|1.426413|1.587415|1.643709|1.509549|1.368301|3.296273|1.911651|2.248124|4.350081|3.162589|2.031619|2.075197|17.916570|2.760152|3.310548|3.888071|5.532980|3.148565|2.833680|5.103917|7.830717|10.771158|12.371792|36.858105| |1.205204|1.279961|1.407961|1.451706|1.346708|1.232745|2.868979|1.660498|1.910470|3.640453|2.690800|1.769896|1.822736|15.397694|2.298373|2.646087|2.971372|4.251428|2.575142|2.371484|3.805312|6.325961|6.854235|7.532135|12.403661|36.858105| |1.166786|1.240250|1.359447|1.394226|1.293522|1.189009|2.741639|1.577495|1.802131|3.446334|2.515722|1.657873|1.701912|14.047451|2.121535|2.376767|2.700774|3.997023|2.482814|2.244392|3.574265|6.173138|6.045932|6.429557|7.595875|12.402105|36.858105| |1.197389|1.269895|1.396107|1.441468|1.339369|1.226060|2.847506|1.652167|1.901930|3.629811|2.677671|1.759631|1.824005|15.045203|2.285466|2.507547|2.856881|4.449565|2.792093|2.498482|4.178555|7.654590|6.750509|7.552430|6.495029|7.599174|12.404494|36.858105| |1.324289|1.412707|1.570678|1.628930|1.499179|1.359177|3.263785|1.898668|2.233693|4.331362|3.139902|2.015182|2.075661|17.353932|2.735937|3.048972|3.640205|5.985990|3.568748|3.054885|6.114703|10.876005|10.354919|12.362071|7.618253|6.474833|7.586950|12.392485|36.858105| |1.154555|1.214428|1.330747|1.385180|1.299630|1.189851|2.729204|1.602866|1.839010|3.446462|2.637676|1.760037|1.861127|15.456837|2.268521|2.447344|2.674283|4.137064|2.660332|2.478231|3.885497|7.455586|6.002044|6.457785|5.390363|6.481900|7.594384|12.397747|7.596239|36.858105| |1.191399|1.251277|1.375712|1.440986|1.353133|1.233298|2.853584|1.689395|1.953527|3.638645|2.839918|1.894810|2.021335|17.301725|2.486930|2.742577|2.934027|4.416803|2.772345|2.650264|4.181940|7.716669|6.781115|7.561157|6.507854|7.605673|6.477506|7.588536|6.469616|12.396646|36.858105| |1.161013|1.222645|1.340300|1.393455|1.305603|1.195355|2.746323|1.609331|1.845220|3.452736|2.647841|1.768836|1.858128|15.822871|2.278696|2.572599|2.764225|3.971406|2.468041|2.351578|3.574482|6.203004|6.063210|6.428156|7.604552|12.404568|7.596854|6.474675|5.362931|7.595457|12.407421|36.858105| |1.316155|1.387122|1.541699|1.628183|1.518558|1.369049|3.272835|1.955834|2.318644|4.346110|3.411391|2.226426|2.382384|21.122399|3.103980|3.504081|3.803773|5.905249|3.527004|3.345956|6.122155|11.049904|10.459394|12.378067|7.634997|6.476453|5.363027|6.462575|7.570771|7.589734|12.392724|7.583028|36.858105| |17.726178|8.875076|5.637491|4.938736|5.625398|8.920761|6.505296|3.134538|2.546518|4.362477|3.043009|2.243101|1.913564|12.412676|1.917575|1.838408|1.797481|2.293826|1.788378|1.800016|1.502508|2.544795|1.938682|1.283956|1.243682|1.130458|1.097002|1.123385|1.234382|1.084617|1.116624|1.090503|1.225387|0.500000| |8.892935|17.713994|8.974022|5.652061|4.951811|5.662951|7.625694|3.343817|2.810089|5.069123|3.226988|2.259347|1.916944|12.836117|2.055469|2.023612|2.041774|2.579556|1.986084|1.935192|1.668869|2.786839|2.164517|1.420567|1.383102|1.246061|1.211624|1.235436|1.368865|1.176745|1.207899|1.185396|1.331584|0.213937|0.500000| |5.622156|8.880898|17.739500|8.962657|5.658696|4.965189|13.564461|4.909592|4.125014|7.843304|4.358594|2.873013|2.353013|15.995273|2.708627|2.695238|2.768155|3.407930|2.632306|2.511612|2.124600|3.476742|2.726149|1.740900|1.681829|1.483072|1.433891|1.468452|1.660912|1.387716|1.431700|1.399304|1.608122|0.123649|0.214411|0.500000| |5.647139|4.955306|5.624287|8.864230|17.755526|8.936256|12.434241|7.423198|4.664137|6.935490|5.487390|4.372320|3.308163|19.628357|3.063858|2.727427|2.498434|3.140523|2.553422|2.738416|1.993063|3.370725|2.493673|1.608919|1.522206|1.358489|1.301026|1.352681|1.513880|1.322077|1.381996|1.326723|1.555366|0.124253|0.107559|0.124134|0.500000| |8.937716|5.658180|4.962749|5.659201|8.938814|17.711511|7.445749|3.911292|2.977077|4.816352|3.627932|2.817104|2.346418|14.545761|2.206018|2.043587|1.931738|2.464571|1.957522|2.039996|1.606922|2.738127|2.047390|1.348997|1.292769|1.171567|1.130259|1.166269|1.285620|1.138044|1.179883|1.142403|1.303938|0.214828|0.124231|0.107726|0.217337|0.500000| |3.767015|3.827996|4.811634|7.130527|6.813233|4.615199|16.593538|17.531164|8.876279|11.217844|9.349551|6.786660|4.550532|26.123727|4.533533|3.705695|3.350343|4.252210|3.680706|4.049869|2.584721|4.355082|3.115727|1.955185|1.804611|1.582306|1.515905|1.600286|1.830986|1.560131|1.632033|1.542397|1.878997|0.087183|0.088884|0.121179|0.225839|0.113824|0.500000| |3.752712|3.812475|4.790872|7.100350|6.790639|4.598917|16.603050|17.557691|8.817591|10.859185|9.660439|7.324653|4.635225|27.929978|4.624939|4.027987|3.454062|4.114353|3.329858|3.708479|2.517583|4.154031|3.122771|1.957713|1.841782|1.608861|1.516881|1.578146|1.795837|1.542663|1.639025|1.570219|1.887272|0.086891|0.088558|0.120720|0.226026|0.113524|0.301305|0.500000| |2.741443|2.711225|3.158390|4.066952|4.188404|3.271640|8.598605|7.407592|7.044103|8.777610|12.284488|17.595401|8.872491|37.969448|5.738065|4.124062|3.384860|4.358288|3.794201|4.823532|2.722122|4.681649|3.244902|2.048080|1.865959|1.641481|1.555599|1.654977|1.885011|1.650442|1.753177|1.635802|2.034403|0.066877|0.065841|0.082482|0.142249|0.087065|0.240726|0.210483|0.500000| |2.616992|2.608794|3.034048|3.824932|3.865338|3.073210|8.105912|6.579527|6.680910|8.530935|12.303839|17.561383|8.911336|45.286507|6.073601|4.723741|3.587456|4.329427|3.496401|4.387228|2.721822|4.560736|3.345360|2.105745|1.954361|1.709581|1.590464|1.667434|1.891407|1.667651|1.805676|1.708455|2.101329|0.064161|0.063853|0.080121|0.127153|0.081624|0.167997|0.228810|0.301034|0.500000| |2.047121|2.048155|2.319165|2.749137|2.753411|2.323419|5.656046|4.094763|4.680678|6.826798|9.050362|8.788823|17.607143|56.247501|6.440993|4.285152|3.430412|4.719964|4.164008|6.125244|3.101509|5.586018|3.598660|2.297297|2.031979|1.796192|1.697394|1.841676|2.096878|1.885018|2.021869|1.834728|2.375953|0.051484|0.051501|0.062684|0.086709|0.062767|0.121394|0.112802|0.221628|0.174957|0.500000| |2.040732|2.015521|2.256983|2.681928|2.748713|2.336730|5.397049|3.883634|4.182870|6.065688|7.783222|8.809307|17.621440|56.510673|5.305365|3.979122|3.085895|4.011024|3.274950|4.381013|2.673212|4.692565|3.248484|2.102209|1.913826|1.703594|1.588081|1.689650|1.892935|1.735894|1.889070|1.749567|2.187916|0.051529|0.050583|0.060385|0.087780|0.063915|0.110062|0.116422|0.199386|0.224742|0.301052|0.500000| |1.847938|1.953730|2.262943|2.516321|2.306381|1.978764|5.402265|3.459629|4.639993|8.354540|7.656895|4.422489|4.560313|52.540412|8.942592|17.541675|8.992453|9.224005|5.542566|6.421898|5.876768|8.524764|7.394418|4.084841|3.633676|2.887295|2.530699|2.667128|3.219182|2.658002|3.078404|2.871848|4.036193|0.046532|0.050567|0.065087|0.067027|0.051611|0.087000|0.094328|0.100316|0.115996|0.113061|0.108012|0.500000| |2.175141|2.328294|2.770948|3.136074|2.796093|2.339737|7.026339|4.528791|6.434649|11.579838|9.800330|5.170685|4.580633|44.126798|8.794867|17.583541|8.797826|7.623868|4.992605|5.495857|4.400465|6.502105|5.624446|3.210339|3.007737|2.444767|2.188601|2.260745|2.682660|2.200973|2.460667|2.367199|3.037274|0.053945|0.059556|0.080078|0.080784|0.060038|0.106083|0.125016|0.114884|0.142982|0.109090|0.108693|0.303951|0.500000| |1.860707|2.026309|2.369430|2.526815|2.229777|1.935190|5.438997|3.208084|4.228068|8.856007|5.818684|3.302835|3.152367|28.738579|5.428333|8.962025|17.653670|12.365782|5.685490|4.900353|7.151734|8.826304|10.524878|4.992195|4.638387|3.380974|2.976627|3.060769|3.899679|2.829670|3.167937|3.073002|4.128853|0.046865|0.053357|0.070788|0.062545|0.049683|0.079691|0.084031|0.080620|0.087436|0.082294|0.076668|0.229112|0.209898|0.500000| |2.194676|2.434907|2.953062|3.186222|2.703705|2.287281|7.260584|4.216666|6.063291|15.218861|7.401277|3.848146|3.418933|28.767156|6.256116|8.783074|17.723460|12.565731|7.142296|5.636607|5.781323|7.850724|7.061319|3.716795|3.387229|2.663354|2.471104|2.587372|3.234725|2.392788|2.564472|2.450077|3.189856|0.054354|0.063375|0.089866|0.075099|0.057676|0.101881|0.104432|0.095435|0.099458|0.089840|0.081112|0.175752|0.216974|0.303725|0.500000| |1.848115|1.972325|2.280809|2.486777|2.254990|1.953376|5.279459|3.248676|4.197625|8.207283|6.021392|3.518514|3.536714|27.875821|5.444723|4.885050|5.713574|12.512618|17.679054|8.893125|7.559791|14.414677|6.733965|3.877477|3.071223|2.565084|2.537260|2.935048|3.770956|2.796430|2.831025|2.468467|3.556373|0.046633|0.051445|0.066330|0.064455|0.050699|0.089945|0.079906|0.092776|0.083753|0.105433|0.082183|0.123295|0.108829|0.127424|0.146579|0.500000| |2.195554|2.389689|2.867048|3.172127|2.762124|2.325204|7.141895|4.374729|6.244270|13.850262|7.996161|4.180081|3.804411|29.135438|6.582312|5.940305|7.305190|12.587254|17.643463|8.764851|5.857990|9.255200|5.970734|3.352522|2.847357|2.353583|2.284475|2.518629|3.153061|2.368397|2.443826|2.227537|3.009142|0.054413|0.061607|0.084696|0.078157|0.059139|0.116984|0.102074|0.109970|0.098972|0.108503|0.086978|0.132526|0.135578|0.146659|0.219930|0.301695|0.500000| |2.071008|2.152806|2.503243|2.893514|2.710237|2.276135|6.251475|4.303644|5.740602|9.339215|10.055569|5.922670|6.230313|43.071254|8.798817|5.479460|4.881758|7.643507|8.810387|17.553971|4.601611|8.356647|4.810566|2.905588|2.456670|2.107845|2.022850|2.250025|2.687793|2.241279|2.356673|2.098623|2.875448|0.051717|0.054708|0.070133|0.081042|0.059636|0.124517|0.106221|0.154265|0.124806|0.204883|0.129015|0.134015|0.124641|0.107902|0.127047|0.212231|0.210936|0.500000| |1.801953|1.879997|2.157783|2.424791|2.268570|1.948932|5.139564|3.381060|4.442826|7.706279|7.677704|4.642997|5.366059|49.562560|8.855911|6.465948|5.654131|9.610866|9.006917|17.606479|6.439961|12.178430|6.294819|3.715206|2.995889|2.522750|2.376167|2.688273|3.280177|2.734789|2.962220|2.557985|3.820598|0.045504|0.048473|0.061196|0.066905|0.051318|0.092940|0.087472|0.113356|0.107028|0.160971|0.117853|0.179099|0.134164|0.127986|0.130576|0.221124|0.174672|0.302964|0.500000| |1.600059|1.732636|1.977700|2.066465|1.854496|1.646863|4.285521|2.490325|3.087521|6.272739|4.275716|2.584047|2.566798|22.549474|3.873578|5.022234|7.285949|10.612521|4.912286|4.014466|9.511524|11.003112|26.080847|9.158931|7.792916|4.827743|4.244488|4.426757|6.373725|3.805717|4.205429|4.045423|5.757982|0.040848|0.046266|0.058952|0.051835|0.042679|0.064301|0.065132|0.065201|0.067827|0.069525|0.063649|0.144668|0.119506|0.266069|0.163265|0.125226|0.121426|0.091820|0.112874|0.500000| |1.362900|1.453908|1.620630|1.685843|1.550270|1.401547|3.389040|1.975640|2.329661|4.474918|3.303977|2.125579|2.173417|19.143110|2.902512|3.587256|4.086344|5.480640|3.108902|2.879017|4.839696|7.277570|9.915155|8.820229|17.517638|8.786452|5.505748|4.853014|5.522889|4.460503|5.749709|6.924432|6.973928|0.035226|0.039048|0.047574|0.043538|0.036798|0.051399|0.053366|0.053661|0.057330|0.058333|0.055880|0.112546|0.091685|0.140412|0.097299|0.082135|0.078242|0.068849|0.084459|0.205473|0.500000| |1.368654|1.473726|1.643200|1.685588|1.535111|1.393568|3.380104|1.932869|2.266956|4.460071|3.122500|1.989380|1.996037|16.938136|2.675341|3.226214|3.938785|5.516437|3.124399|2.738246|4.827613|7.229512|9.829998|8.798991|17.481339|8.812642|6.931063|5.740076|6.948732|4.459330|4.858003|5.514040|5.523524|0.035406|0.039875|0.048774|0.042686|0.036409|0.050468|0.051434|0.051048|0.053259|0.054249|0.051027|0.094992|0.082556|0.132177|0.098346|0.084292|0.080365|0.066342|0.078417|0.230897|0.302103|0.500000| |1.175124|1.248880|1.368503|1.403433|1.302428|1.197477|2.757823|1.585614|1.806781|3.439601|2.526029|1.670668|1.707829|14.311115|2.125450|2.455286|2.732434|3.792680|2.323540|2.155030|3.252871|5.356416|5.693149|5.496158|8.853425|17.527351|8.814417|5.514519|4.858383|4.849807|5.517058|8.814673|4.859334|0.030691|0.033887|0.040078|0.036383|0.031620|0.041831|0.042879|0.043105|0.045213|0.046476|0.044622|0.073874|0.064263|0.086884|0.069136|0.063688|0.059924|0.053599|0.062899|0.116719|0.213205|0.214066|0.500000| |1.093968|1.158420|1.261670|1.291653|1.205191|1.113734|2.520604|1.449329|1.637427|3.105267|2.287608|1.525523|1.570531|12.830516|1.908481|2.109353|2.347033|3.437730|2.189049|2.010141|3.000333|5.276921|4.862461|4.816598|5.509427|8.801596|17.513203|8.786252|5.501449|6.912316|5.722008|6.929934|4.441571|0.028678|0.031495|0.036831|0.033683|0.029508|0.038830|0.038872|0.039926|0.040796|0.043566|0.041013|0.062314|0.054458|0.071026|0.060204|0.062272|0.056332|0.050911|0.059119|0.095152|0.123100|0.141502|0.212317|0.500000| |1.186587|1.268035|1.390461|1.415799|1.306308|1.202764|2.781294|1.584744|1.805902|3.488048|2.487346|1.629979|1.652882|13.517843|2.074936|2.335075|2.704591|3.972931|2.462234|2.188916|3.459229|5.845551|5.826971|5.684225|6.905805|8.791852|17.509457|8.794071|6.909763|5.506375|4.842347|5.507511|4.439003|0.030993|0.034545|0.040973|0.036301|0.031660|0.042196|0.042166|0.042640|0.043493|0.045731|0.042760|0.067901|0.060160|0.083088|0.069928|0.069691|0.063890|0.054960|0.063331|0.119239|0.141109|0.207482|0.212995|0.302865|0.500000| |1.162062|1.232147|1.349011|1.386685|1.290270|1.186305|2.723230|1.572057|1.792947|3.420961|2.505581|1.654911|1.708673|13.826958|2.106360|2.270611|2.580934|4.034172|2.607768|2.321653|3.662031|6.842069|5.583272|5.501782|4.864078|5.516312|8.823485|17.527906|8.843174|8.820261|5.511695|4.852241|4.847997|0.030361|0.033394|0.039413|0.036114|0.031372|0.042543|0.041582|0.043623|0.043493|0.048229|0.044050|0.066038|0.057215|0.075470|0.066172|0.077296|0.066184|0.058977|0.068756|0.104424|0.106890|0.128324|0.123415|0.212379|0.212900|0.500000| |1.357386|1.458658|1.624717|1.669778|1.524323|1.384008|3.345428|1.919732|2.252645|4.441086|3.101378|1.974281|1.996955|16.461798|2.654102|2.982248|3.682051|5.974367|3.539871|2.939432|5.672129|9.455184|9.526989|8.821980|6.971819|5.744306|6.934405|8.788319|17.497507|5.506071|4.846513|4.452752|5.505968|0.035129|0.039434|0.048115|0.042452|0.036205|0.051232|0.050137|0.051569|0.051603|0.055872|0.050520|0.085182|0.073777|0.110219|0.093548|0.103154|0.089452|0.072276|0.085021|0.184725|0.142219|0.209882|0.128639|0.141432|0.207945|0.212598|0.500000| |1.344006|1.429456|1.590663|1.658921|1.531213|1.384913|3.329491|1.951294|2.302381|4.440633|3.259771|2.093356|2.173797|18.012903|2.854430|3.076197|3.632009|6.307801|3.916973|3.316501|6.631352|13.566405|9.381140|8.826468|5.529818|4.844671|5.506557|8.782782|17.604851|6.902189|5.704252|4.438418|6.889626|0.034763|0.038350|0.046545|0.043107|0.036434|0.052774|0.050961|0.054672|0.053943|0.061866|0.054728|0.089427|0.074122|0.103448|0.089719|0.120373|0.094150|0.081513|0.100376|0.154869|0.123597|0.142078|0.106842|0.123000|0.141384|0.213127|0.302551|0.500000| |1.083651|1.136887|1.238176|1.284264|1.210163|1.114394|2.510628|1.469204|1.665337|3.105181|2.379675|1.605371|1.695341|13.896545|2.015190|2.158719|2.328926|3.527143|2.310261|2.176239|3.180870|6.029838|4.838205|4.827220|4.454356|5.718407|6.913202|8.792345|5.506988|17.508481|8.791982|6.917210|5.504524|0.028384|0.030682|0.035790|0.034162|0.029690|0.039804|0.039439|0.042014|0.042493|0.047657|0.044310|0.064766|0.054698|0.068327|0.058688|0.067179|0.057977|0.055384|0.066102|0.088263|0.106056|0.106059|0.127610|0.207054|0.141252|0.212691|0.123058|0.141116|0.500000| |1.165167|1.222268|1.339589|1.400212|1.317613|1.204646|2.760321|1.630339|1.871906|3.490149|2.701470|1.808298|1.928535|15.898190|2.329405|2.454926|2.661448|4.221318|2.785426|2.605258|3.990549|8.141592|5.766858|5.726385|4.465270|4.848958|5.509245|8.799305|6.932999|17.524183|8.798132|5.509676|6.927012|0.030390|0.032819|0.038684|0.037349|0.032053|0.044404|0.043438|0.047290|0.047202|0.054880|0.049815|0.073680|0.060770|0.076403|0.066168|0.083134|0.068188|0.065917|0.080927|0.099896|0.106335|0.106269|0.106714|0.141218|0.123133|0.212863|0.141287|0.207110|0.302671|0.500000| |1.152827|1.203554|1.318075|1.386061|1.311583|1.197649|2.732565|1.628042|1.868603|3.433998|2.744001|1.859662|2.011713|17.176324|2.393881|2.587529|2.680022|3.993384|2.580935|2.539844|3.666809|6.920409|5.613864|5.508498|4.872981|5.519234|4.852777|5.512286|4.853137|8.821872|17.528593|8.825494|8.852760|0.030069|0.032216|0.037876|0.037376|0.031967|0.043890|0.044132|0.047816|0.049308|0.056019|0.052690|0.081199|0.064832|0.079100|0.065336|0.073221|0.063258|0.063408|0.079703|0.098110|0.128561|0.106997|0.123445|0.127901|0.106686|0.123418|0.106790|0.127709|0.212676|0.212940|0.500000| |1.176197|1.236266|1.355861|1.414354|1.327812|1.214048|2.789560|1.641254|1.882118|3.499240|2.718711|1.823844|1.921904|16.591194|2.346812|2.682413|2.816469|3.929742|2.437490|2.367431|3.459203|5.888594|5.852877|5.681835|6.916456|8.793970|5.507774|4.840139|4.437832|5.506866|8.795123|17.511734|6.906208|0.030669|0.033227|0.039230|0.037567|0.032259|0.043488|0.044811|0.046513|0.049293|0.052194|0.050517|0.084699|0.069174|0.087911|0.068874|0.066602|0.061192|0.058460|0.071537|0.109907|0.207304|0.141339|0.213034|0.141542|0.123094|0.106665|0.106006|0.105673|0.141330|0.123136|0.212995|0.500000| 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