Version2.0 2019-11-28T03:55:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)C[C@H]1C(=O)N(C2([NH2+]1)CCN(CC2)S(=O)(=O)c3ccc(cc3)F)Cc4cccc(c4)C(F)(F)F C36032824 RHF 6-31G(d) (6D,7F) CC(C)C[C@H]1C(=O)N(C2([NH2+]1)CCN(CC2)S(=O)(=O)c3ccc(cc3)F)Cc4cccc(c4)C(F)(F)F C01[X(C25H30F4N3O3S1)] 192 C1 604 CC(C[C@@H]1[NH2+]C2(N(C1=O)Cc1cccc(c1)C(F)(F)F)CCN(CC2)S(=O)(=O)c1ccc(cc1)F)C CC(C[C@@H]1[NH2+]C2(N(C1=O)Cc1cccc(c1)C(F)(F)F)CCN(CC2)S(=O)(=O)c1ccc(cc1)F)C CC(C)C[C@@H]1[NH2+]C2(CCN(CC2)[S](=O)(=O)c3ccc(F)cc3)N(Cc4cccc(c4)C(F)(F)F)C1=O InChIKey=CJXSYZCXKMMWNW-QFIPXVFZSA-O InChI=1S/C25H29F4N3O3S/c1-17(2)14-22-23(33)32(16-18-4-3-5-19(15-18)25(27,28)29)24(30-22)10-12-31(13-11-24)36(34,35)21-8-6-20(26)7-9-21/h3-9,15,17,22,30H,10-14,16H2,1-2H3/p+1/t22-/m0/s1 InChI=1/C25H29F4N3O3S/c1-17(2)14-22-23(33)32(16-18-4-3-5-19(15-18)25(27,28)29)24(30-22)10-12-31(13-11-24)36(34,35)21-8-6-20(26)7-9-21/h3-9,15,17,22,30H,10-14,16H2,1-2H3/p+1/t22-/m0/s1/fC25H30F4N3O3S/h30H/q+1 CC(C)C[C@H]1C(=O)N(C2([NH2+]1)CCN(CC2)S(=O)(=O)c3ccc(cc3)F)Cc4cccc(c4)C(F)(F)F C01[X(C25H30F4N3O3S1)] 192 C01 604 CC(C[C@@H]1[NH2+]C2(N(C1=O)Cc1cccc(c1)C(F)(F)F)CCN(CC2)S(=O)(=O)c1ccc(cc1)F)C CC(C[C@@H]1[NH2][C@]2(N(C1=O)Cc1cccc(c1)C(F)(F)F)CCN(CC2)[S@](=O)(c1ccc(cc1)F)O)C CC(C)C[C@@H]1[NH2]C2(CCN(CC2)[S](O)(=O)c3ccc(F)cc3)N(Cc4cccc(c4)C(F)(F)F)C1=O InChIKey=UVUHVRMMLJBKDV-UHFFFAOYSA-N InChI=1S/C28H29NO5S2/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)35-28)27(32)19-6-11-23(12-7-19)36(33,34)17-16-29-14-2-1-3-15-29/h4-13,18,30-31,33-34H,1-3,14-17H2 InChI=1/C28H29NO5S2/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)35-28)27(32)19-6-11-23(12-7-19)36(33,34)17-16-29-14-2-1-3-15-29/h4-13,18,30-31,33-34H,1-3,14-17H2 4384.4974738800 -2147.1238707 1-A 22061.7435 138 466 604 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0.577430 0.608689 0.609633 0.507771 -2146.546441 -2146.515182 -2146.514238 -2146.616100 3.416468D-04 MUNgauss RevisionA1.9 retrievium 28-Nov-2019 DUDE CC(C)C[C@H]1C(=O)N(C2([NH2+]1)CCN(CC2)S(=O)(=O)c3ccc(cc3)F)Cc4cccc(c4)C(F)(F)F C36032824 RHF 6-31G(d) (6D,10F) C1 528.194360 |X|Y|Z| 107.974191 96.248526 33.756252 70.527110 24 6 7 16 20 3 1 |36.858105| |12.431355|36.858105| |7.554726|12.432305|36.858105| |7.614377|12.369005|7.447066|36.858105| |4.870619|7.325787|6.089519|12.452440|36.858105| |4.475411|6.705870|6.816509|8.811496|17.656442|0.500000| |3.771303|4.821090|4.211952|7.461381|12.547776|0.249306|36.858105| |3.477181|4.199057|3.844862|6.163232|7.974382|0.195829|16.029296|73.516695| |3.253343|4.015668|3.481190|5.520284|8.106801|0.173311|14.021989|14.842835|53.358707| |3.434701|4.323667|3.613614|5.518691|7.683790|0.161871|8.054160|9.657113|17.822288|36.858105| |4.203071|5.979721|4.951892|7.472039|12.647259|0.251642|8.142540|9.710461|11.374460|12.410075|53.358707| |4.686245|6.768975|5.226298|7.315388|9.005252|0.195811|5.981826|7.870061|8.269263|9.007489|25.703831|0.500000| |3.659474|5.081429|4.685787|5.760099|9.196929|0.242137|6.689187|8.631857|9.456487|9.139604|25.712979|0.328302|0.500000| |2.791587|3.408249|3.032945|3.934918|5.142142|0.125247|5.274191|7.210126|10.251253|12.345588|10.528797|0.181529|0.220245|36.858105| |2.420298|2.805572|2.491251|3.171641|3.782883|0.093205|4.011767|5.883139|7.458223|7.328510|6.772249|0.128739|0.135391|12.404186|36.858105| |2.531604|2.855856|2.458365|3.185727|3.562702|0.085912|3.667925|5.441101|6.458525|6.449211|6.244091|0.127453|0.117598|7.633551|13.062671|53.358707| |2.859673|3.188733|2.645574|3.717428|4.025676|0.092976|4.267197|6.270908|7.583723|7.374642|6.743106|0.136762|0.118126|6.508052|7.887955|17.777656|36.858105| |3.625272|4.261380|3.354519|5.273427|5.818168|0.124047|5.839422|7.895475|10.309199|12.305638|10.414642|0.211158|0.160541|7.380759|6.494529|10.475220|12.416705|36.858105| |2.519345|2.806231|2.425787|2.947401|3.175118|0.078412|3.058360|4.607635|4.965602|4.883543|5.581246|0.122980|0.107702|5.648654|7.135275|15.573026|7.180463|5.773936|388.023441| |2.595576|2.783010|2.357236|2.891352|2.956122|0.072449|2.837643|4.351512|4.452003|4.175730|4.934330|0.111005|0.092368|4.282143|5.013228|10.526811|6.814266|5.440960|94.834745|73.516695| |2.732641|3.148434|2.748512|3.207188|3.527104|0.088341|3.223202|4.777005|5.112011|5.235665|6.576309|0.151686|0.131530|6.292078|6.451839|10.252681|5.606144|5.565115|93.994642|13.713075|73.516695| |2.050509|2.250123|2.017764|2.341370|2.530187|0.064541|2.490376|3.870474|3.979174|3.599132|4.236901|0.090168|0.085256|4.351774|5.758637|9.627130|4.772219|3.886917|77.163254|12.890171|13.039055|36.858105| |1.866747|2.009788|1.805362|2.108223|2.245830|0.057327|2.259105|3.578077|3.586365|3.101829|3.623628|0.076084|0.072156|3.580537|4.752180|7.980538|4.353909|3.412393|49.819595|10.912648|8.744979|13.681603|36.858105| |1.650632|1.767120|1.614367|1.840085|1.958151|0.050748|1.974196|3.173739|3.083378|2.587831|3.097578|0.064550|0.062567|2.979569|3.773472|5.743629|3.345819|2.755773|33.854904|7.660561|6.788920|7.963090|13.832928|36.858105| |1.589119|1.712310|1.586045|1.763698|1.890324|0.049619|1.885735|3.033699|2.917984|2.447482|2.999215|0.062521|0.061681|2.871495|3.503855|5.021865|2.933448|2.526077|30.241546|6.586462|6.612654|6.992023|8.023061|13.755320|36.858105| |1.693531|1.848172|1.719495|1.887500|2.043253|0.053892|2.006910|3.195862|3.105132|2.657179|3.305154|0.069344|0.068955|3.204938|3.822749|5.322863|3.035315|2.688334|33.788942|6.909940|7.911277|7.961711|6.830264|7.853544|13.816441|36.858105| |1.930727|2.132981|1.957266|2.182061|2.378806|0.062023|2.310318|3.612363|3.624017|3.227022|3.972748|0.084382|0.082567|3.997941|4.859393|6.967066|3.733267|3.290979|49.745374|9.033226|11.683242|13.736775|7.867009|6.829862|8.022160|13.767429|36.858105| |1.432824|1.533750|1.435004|1.574665|1.680247|0.044483|1.681335|2.736887|2.568898|2.108670|2.618339|0.054312|0.054047|2.432772|2.876862|4.033044|2.456406|2.156379|23.373781|5.276326|5.290929|4.714455|5.338243|8.205629|14.473055|8.212291|5.332661|97.533100| |2.669953|3.107745|2.772476|4.015704|5.081941|0.120963|7.788606|12.000331|17.635495|7.345956|6.973606|0.116502|0.129610|5.940209|5.229023|6.071837|5.175029|5.710296|23.517052|5.320363|5.741633|2.790441|2.605949|2.267877|2.123066|2.210680|2.522340|4.240671|36.858105| |2.286832|2.655139|2.474352|3.245277|4.113515|0.106052|5.596089|9.238517|10.327100|5.496851|5.788584|0.098240|0.117181|5.477802|4.936167|5.313255|4.059242|4.223218|21.278633|4.696662|5.271585|2.667004|2.495416|2.226560|2.121928|2.215807|2.482068|4.283028|12.561468|36.858105| |2.237135|2.623418|2.536403|3.164170|4.085799|0.112167|5.404909|9.469278|8.442857|4.623950|5.486555|0.092618|0.116113|4.617039|3.937795|4.338920|3.260603|3.525767|18.484934|4.104168|4.734350|2.345834|2.178435|1.976947|1.920265|2.024836|2.244315|3.923189|7.517788|13.643980|36.858105| |1.948977|2.251266|2.219602|2.610586|3.238599|0.091203|3.924974|6.950565|5.912432|3.606748|4.433779|0.077597|0.095993|3.822723|3.420995|3.785618|2.752376|2.882574|16.596422|3.678912|4.254168|2.181979|2.041496|1.891037|1.860845|1.958936|2.128659|3.851269|5.010292|7.907157|13.816265|36.858105| |1.768735|2.011595|1.962858|2.295606|2.764830|0.076395|3.261811|5.678321|5.071805|3.260658|3.904804|0.070034|0.083797|3.604848|3.459634|3.801307|2.696235|2.702860|16.582892|3.657102|4.167720|2.246750|2.132350|1.999713|1.968851|2.051066|2.195825|4.098622|4.422863|6.825468|7.925603|13.692560|36.858105| |1.791733|2.024310|1.932768|2.324564|2.771777|0.074357|3.301991|5.630756|5.401112|3.520654|4.004245|0.072268|0.084095|3.961992|4.064532|4.392618|3.090283|2.975386|18.461261|4.048128|4.509242|2.516959|2.420189|2.253460|2.182680|2.244755|2.410581|4.504373|5.014127|7.907358|6.892090|7.969178|13.821759|36.858105| |2.010122|2.284693|2.133161|2.693941|3.254520|0.084582|4.057276|6.757633|7.149001|4.457978|4.736532|0.084045|0.096768|4.878370|5.037205|5.343146|3.879796|3.708769|21.201000|4.643060|5.098834|2.780582|2.660336|2.404278|2.280816|2.345907|2.583609|4.620859|7.579096|13.794619|7.968259|6.897571|7.929846|13.688328|36.858105| |1.605266|1.784925|1.702026|2.009007|2.324559|0.062265|2.673679|4.561960|4.288810|2.941280|3.387871|0.062841|0.070783|3.344633|3.657968|4.092022|2.812759|2.611088|17.552191|3.871188|4.201995|2.496972|2.466796|2.355806|2.282194|2.298300|2.401918|4.778445|3.813507|5.056055|4.463108|5.031498|7.568120|12.657998|7.664569|36.858105| |1.474319|1.632487|1.578178|1.813427|2.081433|0.056648|2.350717|4.062030|3.646191|2.514518|3.000221|0.056069|0.063301|2.831901|3.007323|3.441729|2.369978|2.240942|15.327718|3.408975|3.725556|2.203993|2.175183|2.117308|2.088177|2.107608|2.165209|4.454803|3.118236|4.006709|3.851930|4.624337|6.980713|8.120438|5.272615|14.468253|97.533100| |1.556081|1.707279|1.614750|1.927990|2.186226|0.057978|2.531565|4.378176|4.026840|2.740490|3.141812|0.058786|0.064379|2.998396|3.337529|3.915976|2.764798|2.519730|16.728590|3.775702|3.923453|2.373715|2.405085|2.299556|2.182788|2.152919|2.239705|4.593238|3.663419|4.542562|3.886809|4.133577|5.510887|8.150962|6.629621|14.411550|20.087594|97.533100| |1.614177|1.796768|1.703440|2.000250|2.308484|0.061473|2.591576|4.318478|4.217860|3.035576|3.464486|0.065017|0.072671|3.616206|4.194415|4.595343|3.013113|2.722413|19.702676|4.253537|4.662575|2.901180|2.874352|2.766913|2.692315|2.703436|2.804391|5.595597|3.609678|4.513881|3.904369|4.192872|5.635877|8.163905|6.482061|14.350732|20.096225|20.173586|97.533100| |17.581184|8.795443|6.923693|5.514072|4.017024|0.106476|3.175418|5.231506|3.833786|3.013536|4.978836|0.114719|0.091590|2.545746|2.232379|3.180932|2.576447|3.163550|16.956956|4.380060|4.640387|1.967706|1.789277|1.593289|1.544228|1.650576|1.872678|3.144783|2.354008|2.060871|2.026909|1.793941|1.640140|1.656772|1.836761|1.497845|3.115631|3.261245|3.404386|0.500000| |17.555823|8.740924|5.480327|6.963311|4.568027|0.111453|3.705101|6.021883|4.488593|3.532944|5.601075|0.128997|0.097381|2.840035|2.513482|3.674428|3.125497|3.961698|19.121423|5.059431|5.075836|2.157048|1.975432|1.732123|1.650428|1.747409|1.999596|3.334401|2.734374|2.303572|2.207804|1.917642|1.757828|1.803509|2.040952|1.625045|3.337745|3.569717|3.690763|0.302014|0.500000| |17.547924|8.777065|6.838491|6.881245|4.507338|0.118046|3.663468|6.281486|4.199414|3.119482|5.050912|0.109436|0.091190|2.550379|2.228103|3.137022|2.607356|3.234675|16.031359|4.112938|4.282120|1.869655|1.721495|1.534499|1.476855|1.563493|1.763798|3.016249|2.585645|2.223187|2.196481|1.916570|1.730887|1.743005|1.947694|1.559035|3.234250|3.414860|3.495012|0.301827|0.301306|0.500000| |8.963950|17.442287|8.900393|8.817886|6.689641|0.166678|4.472829|6.689091|5.433912|4.638251|9.024361|0.240350|0.156058|3.726658|3.047496|4.278951|3.448625|4.660457|22.697477|5.606110|6.586198|2.500512|2.193951|1.912377|1.858103|2.026800|2.373620|3.714034|3.072825|2.644307|2.578463|2.227945|2.014609|2.043515|2.306371|1.814055|3.723102|3.886097|4.162264|0.215472|0.213752|0.174041|0.500000| |6.772023|8.772086|17.545780|6.808320|5.528721|0.175213|4.119212|7.066939|4.504156|3.276558|5.784241|0.118888|0.111899|2.752258|2.294597|3.068420|2.444492|3.043670|15.567837|3.800012|4.312546|1.847750|1.674551|1.506938|1.476993|1.587676|1.788457|3.025565|2.698495|2.415926|2.506937|2.196768|1.929309|1.886467|2.073995|1.657665|3.472413|3.555578|3.694435|0.167802|0.138807|0.200380|0.173362|0.500000| |5.465066|8.669066|17.532012|6.624504|6.623493|0.233202|4.452173|7.071145|5.038307|3.859947|7.546274|0.156855|0.155596|3.311205|2.645575|3.464847|2.683206|3.397126|17.787847|4.215948|5.133645|2.092227|1.854484|1.661367|1.644516|1.798139|2.051970|3.343978|2.906549|2.646051|2.760602|2.419513|2.117656|2.063707|2.265236|1.802450|3.766944|3.804155|4.062747|0.141655|0.121976|0.138800|0.212177|0.301382|0.500000| |7.005048|8.812387|17.581980|5.454257|4.609953|0.139045|3.420411|5.611151|4.019450|3.119275|5.574860|0.123693|0.110028|2.711659|2.278415|3.090289|2.409311|2.968861|16.317310|3.997855|4.638646|1.930803|1.729076|1.555521|1.535973|1.667836|1.888435|3.138992|2.418894|2.190200|2.236857|1.993992|1.787360|1.762353|1.924856|1.572009|3.299721|3.360824|3.558827|0.211457|0.142170|0.172516|0.212778|0.302060|0.303692|0.500000| |6.884399|8.811006|6.827627|17.564986|9.087453|0.215205|7.015911|12.055663|6.696598|4.513789|7.560007|0.145373|0.129005|3.376113|2.797122|3.787596|3.228250|4.288661|18.170463|4.478828|4.848728|2.089463|1.910836|1.687690|1.618545|1.717923|1.956389|3.281615|3.812364|3.119586|3.105755|2.570769|2.240980|2.245531|2.579933|1.937669|3.961890|4.210846|4.282432|0.140529|0.170020|0.204186|0.173164|0.204172|0.164857|0.140519|0.500000| |7.147409|8.808002|5.462723|17.552283|8.857071|0.173515|6.879423|10.087838|7.672479|5.809135|9.280866|0.193599|0.141885|4.001224|3.340931|4.752663|4.301216|6.356906|22.679574|5.718403|5.979830|2.478519|2.248890|1.939967|1.834395|1.946457|2.260898|3.665800|4.193618|3.259204|3.054884|2.516930|2.254469|2.330981|2.743245|2.032756|4.090768|4.440301|4.576217|0.144213|0.216357|0.175585|0.210325|0.140416|0.136612|0.123010|0.304687|0.500000| |2.855762|3.524281|3.165972|3.847041|4.885962|0.122810|4.537361|6.338488|7.762644|8.927300|10.570198|0.202523|0.241284|17.612975|9.008281|9.215047|5.537213|6.389063|43.431188|7.927801|14.444720|4.618614|3.612768|3.014622|2.976362|3.442935|4.436068|5.635387|4.507858|4.246879|3.831063|3.314879|3.133680|3.341203|3.876506|2.915338|5.723051|5.891658|7.152671|0.073562|0.080040|0.071310|0.111070|0.077996|0.097204|0.079800|0.090312|0.106745|0.500000| |2.579915|3.149083|2.914553|3.644505|4.907577|0.126317|5.286444|7.432403|10.042292|8.844106|9.035753|0.149284|0.208660|17.585436|8.811064|7.597612|4.960620|5.481344|31.061760|6.157009|8.546380|3.698135|3.143594|2.716730|2.663474|2.958711|3.540186|5.184731|6.212135|6.589918|5.771158|4.748553|4.382310|4.699484|5.693114|3.767188|7.169686|7.315150|9.013110|0.065593|0.071690|0.066640|0.093063|0.074668|0.089943|0.072164|0.089653|0.099729|0.301361|0.500000| |2.201053|2.532729|2.300545|2.775990|3.267516|0.083213|3.376041|5.085063|5.886292|5.444521|5.731244|0.111544|0.120024|8.884781|17.629691|12.402529|5.685421|4.875518|48.773094|8.259464|11.484582|6.638693|5.207739|4.236547|4.085364|4.626288|5.998338|7.397888|4.176722|4.222655|3.550421|3.240531|3.363741|3.903954|4.489617|3.663088|6.904336|7.348667|9.913327|0.057261|0.062961|0.056381|0.076718|0.058831|0.068281|0.059258|0.068700|0.079816|0.225254|0.208826|0.500000| |2.261681|2.586137|2.314885|2.977425|3.535274|0.087563|3.975301|5.994892|7.538037|6.368625|5.899789|0.109472|0.117136|8.748531|17.632551|12.631826|7.168207|5.685671|38.280847|7.507653|8.448159|4.757554|4.318889|3.556570|3.252217|3.404879|4.060181|6.159580|6.032911|5.905481|4.358962|3.768588|3.930463|4.932158|6.568645|4.412203|7.764378|9.127196|11.437250|0.057690|0.065261|0.058753|0.076138|0.060257|0.067892|0.058630|0.074717|0.087359|0.175242|0.216176|0.305621|0.500000| |2.834111|3.045083|2.506452|3.446380|3.526101|0.082558|3.632301|5.517471|5.979238|5.448117|5.663306|0.119781|0.100019|4.857189|5.696551|12.443125|17.688914|8.876414|49.069636|14.484702|9.133143|4.647017|4.425365|3.370503|2.894718|2.939963|3.568992|5.469550|4.134376|3.339681|2.771604|2.388998|2.351185|2.662937|3.234563|2.480816|4.783132|5.570467|5.963386|0.071500|0.088000|0.071562|0.091667|0.064454|0.069390|0.064307|0.083890|0.112711|0.123458|0.108362|0.127262|0.146574|0.500000| |2.622255|2.896951|2.452274|3.447394|3.773358|0.088198|4.283269|6.483553|7.816821|6.521834|5.949378|0.115358|0.106435|5.825937|7.250839|12.629832|17.610124|8.730819|38.304291|9.095345|7.798781|4.133481|3.983248|3.171587|2.768014|2.803439|3.321928|5.305528|6.066651|4.604364|3.521246|2.944421|2.918074|3.442569|4.501017|3.123822|5.794545|7.064585|7.427981|0.065442|0.078915|0.067912|0.084484|0.064135|0.069158|0.061805|0.085935|0.109599|0.131351|0.133413|0.146718|0.219754|0.304073|0.500000| |3.958674|4.503864|3.443314|5.978400|6.006737|0.124728|6.325344|8.799505|10.072424|8.801651|8.962174|0.178453|0.138097|5.468469|4.914608|7.622355|8.831437|17.586660|31.739218|8.007624|7.610589|3.241183|2.956009|2.446020|2.239545|2.346731|2.788529|4.376499|5.750198|4.050464|3.418613|2.771887|2.571599|2.806132|3.492166|2.457673|4.777329|5.427609|5.638603|0.093020|0.123440|0.099708|0.129790|0.088678|0.094109|0.083698|0.137258|0.223342|0.133501|0.124912|0.107967|0.129064|0.211495|0.212926|0.500000| |3.977973|4.679144|3.574276|5.313474|5.481118|0.120065|4.890575|6.812034|7.722333|8.802725|10.245786|0.250813|0.159736|6.375188|5.595818|9.409117|8.993057|17.559470|45.412151|11.166254|11.752227|4.039740|3.444584|2.770032|2.563082|2.768142|3.445451|4.900568|4.372126|3.486717|3.045367|2.564545|2.412352|2.609657|3.127483|2.332146|4.585776|5.042363|5.518344|0.097770|0.122491|0.094902|0.152163|0.087536|0.099530|0.089371|0.116142|0.176516|0.176517|0.133026|0.125719|0.130256|0.222296|0.174399|0.302543|0.500000| |1.910156|2.036424|1.808766|2.158407|2.272742|0.057410|2.311599|3.673853|3.678165|3.150241|3.620312|0.075889|0.070776|3.493014|4.639388|8.359651|4.842947|3.604908|47.468297|11.858671|8.030386|8.878404|17.748542|8.949407|5.681140|4.932322|5.616371|9.643514|2.704464|2.534575|2.184160|2.025417|2.108380|2.411787|2.696815|2.449326|4.817659|5.483021|6.316728|0.050542|0.056736|0.049050|0.061355|0.046811|0.051173|0.047943|0.054479|0.064873|0.095295|0.084662|0.131561|0.121104|0.143470|0.124526|0.087903|0.099672|0.500000| |1.546442|1.640008|1.501092|1.711975|1.807776|0.046918|1.837503|2.985919|2.848428|2.341642|2.809216|0.058274|0.056489|2.633888|3.277495|4.961035|3.034608|2.504458|27.848867|6.635642|5.680342|5.638273|8.878514|17.755853|8.940576|5.627319|4.933192|16.783761|2.124294|2.087168|1.854943|1.782043|1.893517|2.137452|2.267760|2.264233|4.602849|5.062120|5.929975|0.041463|0.045154|0.040188|0.048872|0.039182|0.042707|0.040209|0.043982|0.050237|0.072970|0.067539|0.099227|0.088564|0.086044|0.081769|0.062935|0.069319|0.213336|0.500000| |1.610128|1.758376|1.657847|1.780851|1.929743|0.051506|1.884861|3.019115|2.879439|2.434163|3.094743|0.064802|0.065362|2.920157|3.335513|4.502518|2.652099|2.418010|27.799219|5.819636|6.910557|5.640057|4.933354|5.624354|8.958601|17.755846|8.858592|16.775002|2.043957|2.072048|1.926007|1.884993|1.971808|2.124587|2.183836|2.176643|4.568222|4.552483|5.717487|0.043840|0.045788|0.041403|0.053432|0.042567|0.048361|0.044902|0.045229|0.050510|0.087921|0.076509|0.111051|0.083394|0.071102|0.068573|0.059224|0.069280|0.107234|0.124438|0.500000| |2.037198|2.281900|2.109118|2.305218|2.535506|0.066645|2.411309|3.740061|3.750645|3.394164|4.315292|0.092621|0.091469|4.274672|4.818819|6.600907|3.624043|3.365122|47.397076|8.482434|13.677422|8.913636|5.619278|4.933437|5.680818|8.915583|17.764325|9.631336|2.545980|2.509508|2.305170|2.182659|2.219644|2.394294|2.559777|2.339545|4.778351|4.849692|6.061552|0.055125|0.058082|0.051371|0.071370|0.053023|0.062024|0.056681|0.056977|0.065548|0.139885|0.105057|0.164313|0.108882|0.094789|0.088530|0.078627|0.099753|0.123831|0.107253|0.212572|0.500000| |2.679227|3.056303|2.737424|4.017219|4.832534|0.116374|7.719647|14.186832|12.675018|5.662335|6.050226|0.103641|0.111653|4.521224|4.067578|5.011022|4.353683|4.844899|20.356869|4.756736|4.970902|2.443418|2.315711|2.039667|1.909540|1.972629|2.220673|3.856918|17.637702|8.896821|6.663390|4.597755|3.992750|4.353731|6.007378|3.404651|6.439118|7.587569|7.078187|0.065104|0.076160|0.073614|0.081696|0.075700|0.078452|0.066117|0.110985|0.116738|0.101966|0.129832|0.094034|0.126694|0.102205|0.140415|0.146434|0.106945|0.067195|0.053667|0.050978|0.062159|0.500000| |2.565048|2.915828|2.557346|3.669023|4.362458|0.103060|5.917179|9.164749|12.410391|6.976871|6.303656|0.110698|0.115633|5.891941|5.907719|7.165874|6.442715|6.286966|26.017449|5.929393|6.053382|3.067797|2.913980|2.495987|2.288639|2.351313|2.693203|4.533361|17.643107|8.883068|5.573578|4.183707|3.979713|4.781681|7.343419|3.870651|6.968904|8.651407|8.491381|0.063207|0.074445|0.068425|0.081455|0.068578|0.073477|0.062937|0.095393|0.110647|0.123725|0.158259|0.126071|0.202443|0.138229|0.238896|0.173436|0.128903|0.085711|0.065108|0.059545|0.074098|0.304425|0.500000| |2.435175|2.897170|2.839526|3.563996|4.740004|0.134220|6.517399|12.087854|8.949041|4.682446|5.929728|0.098334|0.125166|4.363173|3.575971|4.074052|3.130658|3.537634|17.751921|3.992606|4.619340|2.215380|2.045653|1.851913|1.801913|1.908304|2.123663|3.684778|6.964109|8.879366|17.720055|8.960980|5.645746|4.962719|5.658314|3.565389|7.151354|7.213409|7.228195|0.060786|0.065907|0.066986|0.077583|0.078955|0.086477|0.068427|0.099043|0.092994|0.103413|0.146155|0.089205|0.105684|0.074733|0.092027|0.097350|0.085739|0.057078|0.048261|0.050596|0.061128|0.186860|0.140174|0.500000| |1.886599|2.176289|2.192191|2.486883|3.054045|0.088540|3.582358|6.481596|5.110304|3.182077|4.096491|0.072404|0.089683|3.326710|2.948763|3.340955|2.432135|2.578306|15.056955|3.365069|3.905975|1.986839|1.856449|1.732817|1.719092|1.815624|1.960130|3.584766|4.086272|5.632898|8.945976|17.732814|8.912606|5.665061|4.966101|4.095427|9.011638|7.776336|7.893918|0.048506|0.051068|0.051845|0.059440|0.060769|0.066758|0.054893|0.068776|0.065651|0.082900|0.112260|0.078659|0.087689|0.059529|0.071140|0.069371|0.064924|0.050983|0.045444|0.048989|0.056207|0.107996|0.096142|0.216366|0.500000| |1.621409|1.828931|1.802218|2.051610|2.427046|0.067765|2.781665|4.877303|4.211912|2.785458|3.420615|0.062358|0.073741|3.084300|2.997463|3.364297|2.366761|2.361276|15.057023|3.339016|3.793986|2.077836|1.983549|1.889515|1.879165|1.952938|2.057915|3.961730|3.541035|4.930551|5.644817|8.892272|17.759759|8.933627|5.641083|6.971308|17.838701|11.480164|11.832423|0.042093|0.044654|0.044160|0.050929|0.049304|0.053945|0.046006|0.055831|0.055827|0.076732|0.101680|0.082926|0.092586|0.058253|0.070357|0.062534|0.059539|0.054162|0.049945|0.052690|0.057752|0.090890|0.090619|0.124278|0.214842|0.500000| 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