Version2.0 2020-04-15T09:19:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCN4CC[NH+](CC4)C5C6CC7CC(C6)CC5C7 C22458384 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCN4CC[NH+](CC4)C5C6CC7CC(C6)CC5C7 C01[X(C29H35F3N3S1)] 207 C1 614 FC(c1ccc2c(c1)N(CCN1CC[NH+](CC1)C1C3CC4CC1CC(C3)C4)c1c(S2)cccc1)(F)F FC(c1ccc2c(c1)N(CCN1CC[NH+](CC1)C1C3CC4CC1CC(C3)C4)c1c(S2)cccc1)(F)F FC(F)(F)c1ccc2Sc3ccccc3N(CCN4CC[NH+](CC4)C5C6CC7CC(C6)CC5C7)c2c1 InChIKey=RCHYMUQIMHLONI-UHFFFAOYSA-O InChI=1S/C29H34F3N3S/c30-29(31,32)23-5-6-27-25(18-23)35(24-3-1-2-4-26(24)36-27)12-9-33-7-10-34(11-8-33)28-21-14-19-13-20(16-21)17-22(28)15-19/h1-6,18-22,28H,7-17H2/p+1 InChI=1/C29H34F3N3S/c30-29(31,32)23-5-6-27-25(18-23)35(24-3-1-2-4-26(24)36-27)12-9-33-7-10-34(11-8-33)28-21-14-19-13-20(16-21)17-22(28)15-19/h1-6,18-22,28H,7-17H2/p+1/fC29H35F3N3S/h34H/q+1 c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCN4CC[NH+](CC4)C5C6CC7CC(C6)CC5C7 C01[X(C29H35F3N3S1)] 207 C01 614 FC(c1ccc2c(c1)N(CCN1CC[NH+](CC1)C1C3CC4CC1CC(C3)C4)c1c(S2)cccc1)(F)F FC(c1ccc2c(c1)N(CCN1CC[NH](CC1)[C@@H]1[C@@H]3C[C@@H]4C[C@H]1C[C@H](C3)C4)c1c(S2)cccc1)(F)F FC(F)(F)c1ccc2Sc3ccccc3N(CCN4CC[NH](CC4)C5C6CC7CC(C6)CC5C7)c2c1 InChIKey=YYYYDHGYCASCDE-JSEFIMRGSA-N InChI=1S/C29H35F3N3S/c30-29(31,32)23-5-6-27-25(18-23)35(24-3-1-2-4-26(24)36-27)12-9-33-7-10-34(11-8-33)28-21-14-19-13-20(16-21)17-22(28)15-19/h1-6,18-22,28,34H,7-17H2/t19-,20+,21-,22+,28- InChI=1/C29H35F3N3S/c30-29(31,32)23-5-6-27-25(18-23)35(24-3-1-2-4-26(24)36-27)12-9-33-7-10-34(11-8-33)28-21-14-19-13-20(16-21)17-22(28)15-19/h1-6,18-22,28,34H,7-17H2/t19-,20+,21-,22+,28- 4305.8783217219 -1977.567036 1-A 23046.6285 136 478 614 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0.681676 0.682620 0.593415 -1976.912793 -1976.885360 -1976.884416 -1976.973621 2.991950D-04 MUNgauss RevisionA2.0 retrievium 15-Apr-2020 DUDE c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCN4CC[NH+](CC4)C5C6CC7CC(C6)CC5C7 C22458384 RHF 6-31G(d) (6D,10F) C1 514.250380 |X|Y|Z| 135.691258 60.732128 30.757925 63.286217 32 6 7 16 28 3 1 |36.858105| |13.793582|36.858105| |7.988858|13.757007|36.858105| |6.899921|7.921863|13.763717|36.858105| |7.886917|6.801197|7.888512|13.660346|36.858105| |13.743138|7.929854|6.906616|7.972926|13.700721|36.858105| |5.124618|4.520663|5.144607|7.833529|13.480922|7.776468|53.358707| |3.965049|3.766992|4.471657|6.542837|7.801725|5.215982|18.441121|36.858105| |3.229809|3.029011|3.417898|4.474207|5.230646|4.087846|10.659389|13.778231|36.858105| |2.695165|2.609857|2.961066|3.696875|3.964318|3.222793|6.996979|7.894575|13.712597|36.858105| |2.602415|2.613024|3.054283|3.776554|3.752970|3.013809|6.151411|6.781109|7.917261|13.834408|36.858105| |2.952504|3.054989|3.756590|4.826515|4.454940|3.400711|7.004452|7.883864|6.921721|8.016155|13.719803|36.858105| |3.686784|3.781778|4.834144|7.081464|6.508470|4.447714|10.636806|13.598523|7.984768|6.909556|7.901427|13.789214|36.858105| |4.204689|4.730114|6.973313|10.739504|6.929176|4.727739|8.627954|6.945051|4.743845|4.213972|4.725671|6.974498|10.779836|388.023441| |2.303191|2.208492|2.427674|2.898239|3.132290|2.699708|5.293368|5.069633|7.718204|12.712327|7.583327|5.052414|4.477572|22.511269|36.858105| |2.309092|2.186181|2.354066|2.759301|3.030414|2.696697|4.984505|4.504395|6.512099|8.108879|5.590635|4.180084|3.891741|20.408222|14.280566|97.533100| |2.036020|1.986550|2.188130|2.552179|2.666424|2.324262|4.307342|3.998923|5.280196|8.097778|6.937904|4.609123|3.842958|20.273505|14.503190|20.106032|97.533100| |2.196798|2.081255|2.258422|2.683919|2.954082|2.586600|5.064663|4.550169|6.621069|8.101295|5.494067|4.134301|3.892622|20.553416|14.222593|20.224894|20.091075|97.533100| |4.445215|3.739619|3.928540|5.150842|7.706160|6.515990|17.867802|7.684721|6.507181|4.442841|3.733998|3.925766|5.134963|31.291155|3.682105|7.919460|6.693999|8.499881|36.858105| |4.074588|3.327036|3.321156|4.031496|5.654935|5.688208|10.105688|5.619942|5.632672|4.041755|3.304385|3.305710|4.009945|24.325970|3.615487|8.335893|6.517859|8.404037|12.273308|36.858105| |3.136042|2.696460|2.742325|3.271981|4.180758|4.022869|7.451993|4.988369|5.855844|4.375431|3.395042|3.200158|3.653680|21.265938|4.233037|10.003798|7.389477|10.426263|7.552626|13.037926|53.358707| |2.844642|2.459411|2.459624|2.833566|3.486882|3.487690|5.697106|3.981055|4.688012|3.831940|3.036717|2.819731|3.103600|18.363984|3.939969|10.157260|7.053109|9.393889|5.021970|7.797904|17.975840|36.858105| |2.360150|2.109177|2.143169|2.449888|2.879613|2.798915|4.675866|3.497512|4.329485|3.862007|3.027184|2.698620|2.837415|16.586209|4.388542|11.865069|7.891978|10.957541|3.908575|5.069199|10.663136|12.521636|36.858105| |2.131408|1.919658|1.955011|2.225586|2.582582|2.501495|4.192150|3.110576|3.758981|3.428469|2.749704|2.462637|2.574280|15.334453|3.919254|9.661097|7.304551|10.643113|3.606429|4.399124|8.956635|7.584217|12.653244|53.358707| |2.072893|1.855295|1.865816|2.097095|2.433461|2.409012|3.859657|2.790020|3.243354|2.942385|2.427011|2.217986|2.336212|14.258663|3.259554|7.985666|6.240395|8.529304|3.349184|4.149510|7.922454|6.955181|9.324250|25.747995|0.500000| |2.271666|2.043794|2.102370|2.436219|2.858469|2.713829|4.810943|3.530672|4.256722|3.743137|2.972034|2.687721|2.860088|16.952830|4.094802|9.270486|7.488572|11.749968|4.363374|5.070413|10.682346|6.681190|7.714878|17.228227|0.259113|36.858105| |2.697034|2.359114|2.397724|2.808163|3.443984|3.329083|5.916345|4.015062|4.583624|3.710297|2.976460|2.801377|3.123997|18.802338|3.723473|8.430626|6.760478|9.828485|6.027499|7.780019|17.978271|8.094753|6.685985|10.347446|0.194016|12.529674|36.858105| |1.849405|1.699113|1.743915|1.966244|2.215443|2.124719|3.532356|2.702931|3.265850|3.184455|2.610590|2.294405|2.322825|13.878002|3.847955|9.436266|7.552602|10.655475|2.903008|3.313255|6.044511|4.904144|7.538640|16.871794|0.254910|7.543905|4.910135|36.858105| |1.684478|1.556289|1.595336|1.784853|1.989759|1.914175|3.135332|2.370007|2.767913|2.709299|2.294610|2.050624|2.075894|12.688574|3.161413|7.327148|6.443212|8.751942|2.591460|2.859283|4.944394|3.761503|4.888047|10.155330|0.193751|6.340649|4.289336|12.340535|36.858105| |1.615542|1.483861|1.501461|1.658925|1.852362|1.818349|2.861411|2.110640|2.393711|2.301198|1.985209|1.813241|1.857235|11.604356|2.588648|6.073706|5.306687|6.824839|2.382349|2.672570|4.481359|3.499160|4.280745|8.360271|0.193547|5.131236|3.904861|7.501938|12.374403|36.858105| |1.527695|1.407062|1.417350|1.551433|1.720832|1.701698|2.618388|1.939283|2.191773|2.130443|1.855310|1.693777|1.723112|10.804701|2.409568|5.809903|5.010217|6.137321|2.135532|2.415656|3.971297|3.247918|4.020008|6.958992|0.160375|4.000835|3.243949|6.399406|7.566674|12.395683|36.858105| |1.396952|1.301547|1.319697|1.440404|1.575680|1.544366|2.387275|1.794877|2.029277|2.021395|1.783643|1.617411|1.620800|10.167631|2.316192|5.536421|4.952211|5.868565|1.909390|2.106292|3.399781|2.721125|3.342234|5.476162|0.116207|3.332835|2.719457|5.342626|6.457303|7.594968|12.392847|36.858105| |1.439655|1.348582|1.381018|1.519261|1.656158|1.600380|2.536950|1.944411|2.240110|2.279066|1.996182|1.777631|1.758472|10.864327|2.696639|6.429228|5.831836|6.954976|2.009889|2.191635|3.584488|2.835595|3.603328|5.889314|0.116081|3.599728|2.835982|6.466210|7.559541|6.470423|7.578339|12.400363|36.858105| |1.513547|1.416695|1.459445|1.620924|1.773805|1.697585|2.758449|2.119191|2.459782|2.494606|2.162681|1.918768|1.903243|11.685993|2.958995|6.803190|6.322000|8.018845|2.213428|2.380577|3.951308|3.002909|3.795475|6.683132|0.127209|4.363159|3.249956|7.638470|12.361422|7.586376|6.471028|7.593436|12.430772|36.858105| |1.540423|1.439636|1.475034|1.627592|1.781471|1.719715|2.736896|2.117052|2.481264|2.538976|2.191767|1.928515|1.901278|11.586513|3.080928|7.701250|6.597692|7.793142|2.148910|2.382563|3.954533|3.250100|4.368940|6.681723|0.126876|3.798113|3.005767|7.639652|6.489047|5.380688|6.471525|7.594109|12.431334|7.664324|36.858105| |1.722170|1.587187|1.615976|1.793850|2.000697|1.946408|3.103418|2.366954|2.798919|2.767007|2.329798|2.062646|2.073297|12.560073|3.313120|8.503121|6.739086|8.457609|2.488480|2.862712|4.950651|4.292274|6.369864|10.149286|0.192553|4.888197|3.765212|12.342252|7.582344|6.470570|7.566775|6.457307|7.558992|6.488141|12.361548|36.858105| |1.648701|1.510570|1.518651|1.666199|1.861252|1.845943|2.837306|2.108597|2.413767|2.336267|2.007883|1.821585|1.855459|11.506504|2.669896|6.693340|5.468120|6.683116|2.301933|2.675574|4.486433|3.913407|5.171357|8.358307|0.192396|4.267665|3.498267|7.503260|6.471054|7.600425|12.395261|7.593855|6.469462|5.380125|7.585605|12.374964|36.858105| |17.724244|8.922422|5.663677|4.966635|5.634037|8.947936|5.665919|3.325011|2.830216|2.397967|2.299826|2.548598|3.075555|24.170250|2.100708|4.791526|4.203954|4.547901|3.873242|3.760364|3.999638|2.730563|2.262196|2.790356|0.056066|2.160005|2.561566|1.778481|1.626632|1.578628|1.500779|1.367576|1.397360|1.460573|1.492119|1.671035|1.619095|0.500000| |8.904220|17.736859|8.916273|5.641470|4.916129|5.637637|4.903424|3.121610|2.597600|2.293530|2.314061|2.670114|3.177121|27.842854|1.976582|4.420050|4.054276|4.200889|3.101227|2.833762|3.209326|2.188801|1.902510|2.371256|0.047037|1.838617|2.095151|1.556784|1.434593|1.375989|1.312048|1.218236|1.257456|1.314237|1.338447|1.466595|1.404139|0.214098|0.500000| |5.665493|8.911565|17.726490|8.957767|5.633603|4.970251|5.690270|3.886065|3.063019|2.754348|2.924936|3.634651|4.437038|47.632220|2.275865|4.934221|4.704379|4.743954|3.296302|2.827182|3.284181|2.188953|1.947305|2.436039|0.047433|1.915969|2.143739|1.619305|1.490084|1.401185|1.326955|1.245013|1.305177|1.376475|1.390065|1.507550|1.415697|0.124261|0.214697|0.500000| |8.986532|5.665984|4.973158|5.650822|8.882103|17.758831|9.622828|4.796466|4.022705|3.139186|2.847180|3.092482|3.908392|27.695766|2.703748|6.172858|5.186081|5.935403|7.196698|7.191029|6.350371|4.029002|3.093344|3.742035|0.074333|2.977422|3.788108|2.281769|2.046549|1.961268|1.830798|1.640596|1.687999|1.790096|1.815907|2.085789|1.995757|0.218291|0.124515|0.107879|0.500000| |3.161033|2.871735|3.118051|3.947010|4.841045|4.048513|9.762729|8.970611|17.813819|8.944395|5.657214|4.985055|5.670770|27.845840|7.227393|15.363250|10.915819|15.873426|7.232294|7.136275|11.547418|6.261630|5.606475|6.388425|0.109597|5.407161|5.973084|3.849792|3.161672|2.717761|2.464290|2.238169|2.464254|2.721128|2.753561|3.213365|2.750491|0.078540|0.068833|0.077006|0.116670|0.500000| |2.287091|2.313439|2.668976|3.172657|3.111791|2.585791|4.903796|4.907594|5.629165|8.901884|17.762363|8.902913|5.635761|27.827312|6.940500|11.691722|17.562583|11.402570|3.098722|2.816724|3.993520|2.697334|2.759645|3.456859|0.062536|2.697041|2.635973|2.482497|2.201971|1.900932|1.790842|1.746747|1.970043|2.121318|2.160046|2.245839|1.928932|0.056919|0.057893|0.072317|0.068308|0.124228|0.500000| |2.743025|2.920512|3.626893|4.419040|3.868278|3.045650|5.686539|5.629641|4.978752|5.682508|8.919489|17.735123|8.968125|47.529688|4.102799|7.866600|8.962728|7.763767|3.293723|2.816246|3.695727|2.437256|2.347632|2.948687|0.054802|2.341611|2.425923|2.045198|1.852684|1.652127|1.552341|1.493355|1.635258|1.754393|1.761992|1.861723|1.658567|0.066198|0.072231|0.101743|0.076395|0.108093|0.214963|0.500000| |3.600910|3.178229|3.408898|4.394591|5.779682|4.823472|12.638677|7.368819|6.918445|4.796325|3.941395|4.019802|5.052503|29.637081|4.011917|8.270996|7.225526|9.720855|17.599309|8.776780|10.157875|4.801083|3.989063|5.256313|0.097577|5.004616|6.780585|3.129424|2.827340|2.544156|2.234344|2.005784|2.133607|2.400255|2.258642|2.601213|2.376152|0.088761|0.075053|0.082292|0.142085|0.216061|0.090883|0.093027|0.500000| |4.817302|3.956371|4.032786|5.087549|7.443063|6.986809|12.681723|5.784136|4.823780|3.602402|3.178135|3.413290|4.395342|29.725415|3.060636|6.600647|5.766502|7.090732|17.612705|8.830692|7.827504|4.182291|3.321292|4.293020|0.083672|3.772288|5.134612|2.581862|2.366047|2.220657|1.991986|1.782054|1.852695|2.033827|1.954564|2.242493|2.117917|0.117554|0.091093|0.093260|0.217661|0.142532|0.075084|0.082381|0.304828|0.500000| |4.019076|3.210728|3.096498|3.602712|4.887013|5.378057|7.750860|4.364917|4.275423|3.289540|2.788174|2.814160|3.352633|21.498780|3.019250|6.968197|5.625277|7.094708|8.762889|17.452379|12.310215|6.644362|4.462317|5.541491|0.112251|4.629179|7.201593|3.081205|2.735565|2.641443|2.385131|2.057302|2.098563|2.268960|2.248942|2.700280|2.609916|0.107346|0.077125|0.073534|0.201208|0.141741|0.067511|0.068319|0.189278|0.233041|0.500000| |4.538651|3.629687|3.570192|4.289298|6.110722|6.446903|9.966929|5.672808|5.581028|4.049793|3.350610|3.377974|4.103727|24.864181|3.586895|8.566410|6.498525|7.948757|8.824430|17.627930|12.588938|7.587185|4.895436|5.415311|0.104451|4.245834|5.717456|3.091068|2.628487|2.467205|2.291510|2.015265|2.098100|2.232918|2.316465|2.769411|2.582529|0.115977|0.085211|0.083440|0.231298|0.187884|0.079266|0.080050|0.178514|0.190891|0.302926|0.500000| |2.749112|2.353087|2.305667|2.596605|3.170535|3.298260|4.956169|3.359406|3.752439|3.150207|2.596148|2.456370|2.704355|16.612064|3.218654|8.119200|5.993477|7.684389|4.412125|6.742343|12.245668|17.402626|8.823672|9.152572|0.199543|5.808534|7.215349|4.466224|3.599622|3.555293|3.335929|2.721511|2.738083|2.859602|3.078366|4.074475|4.009733|0.075058|0.058784|0.057098|0.108016|0.130307|0.064951|0.060061|0.115627|0.108365|0.186900|0.180771|0.500000| |3.053927|2.632609|2.623933|3.012567|3.713046|3.742713|5.910436|4.173461|4.858894|3.966729|3.167052|2.957829|3.262619|19.187205|3.986987|10.698930|7.149855|8.914483|4.838120|7.269647|12.481252|17.602117|9.046466|7.591872|0.142914|4.981748|5.771400|4.118654|3.207322|2.987740|2.864146|2.468013|2.584631|2.678415|3.002524|3.822549|3.464736|0.081179|0.064874|0.064571|0.119279|0.173901|0.077783|0.070884|0.122817|0.111600|0.166740|0.237955|0.302088|0.500000| |2.196844|1.971517|1.984816|2.226638|2.575826|2.547592|4.036130|3.008417|3.600835|3.318357|2.695299|2.420218|2.516946|15.011041|3.774920|10.419037|7.108206|9.064857|3.283728|4.174332|7.718591|8.895060|17.694312|12.335116|0.228523|5.631086|5.026654|6.892017|4.569688|4.224356|4.287944|3.529774|3.719630|3.685830|4.709190|7.241900|6.054947|0.059194|0.049916|0.050413|0.077924|0.122118|0.069486|0.059413|0.091322|0.079751|0.106328|0.116526|0.217550|0.215524|0.500000| |2.351673|2.133722|2.206130|2.550370|2.959844|2.792049|4.889121|3.855455|5.085988|4.705173|3.532763|3.036284|3.123728|17.663967|5.737217|16.807693|9.800226|14.232309|3.917217|4.767452|9.555205|8.846844|17.654360|12.407545|0.182294|6.895894|5.790049|7.145068|4.625204|3.824879|3.601999|3.164367|3.569714|3.794444|4.420881|5.948324|4.476417|0.061763|0.053300|0.055961|0.083671|0.184870|0.089309|0.072422|0.112938|0.090645|0.111996|0.130352|0.173257|0.218947|0.300619|0.500000| |2.078315|1.882645|1.930426|2.209074|2.549560|2.439797|4.183501|3.044916|3.532612|3.195706|2.632514|2.408450|2.544688|15.477936|3.471855|7.710177|6.633720|9.855565|3.752711|4.170392|7.720589|5.013873|5.628463|12.332255|0.228072|17.696047|8.885665|6.910804|7.225041|5.970738|4.248479|3.512943|3.717329|4.717322|3.688535|4.562808|4.194128|0.055283|0.047437|0.049232|0.073896|0.117678|0.067394|0.059234|0.119655|0.094133|0.111143|0.098108|0.131214|0.109731|0.126968|0.141459|0.500000| |2.263615|2.065972|2.163134|2.539492|2.943036|2.709128|5.070100|3.915518|4.982955|4.496652|3.448290|3.026146|3.163601|18.172014|5.105484|10.977311|9.030475|16.289130|4.424074|4.787804|9.627201|5.820925|6.921482|12.415839|0.182315|17.645555|8.856492|7.132641|5.874576|4.426638|3.581332|3.150275|3.558656|4.390338|3.798629|4.632891|3.818184|0.059018|0.051461|0.055035|0.080720|0.176316|0.086576|0.072302|0.146548|0.103584|0.115947|0.113836|0.133549|0.130204|0.141690|0.202943|0.300106|0.500000| |2.755079|2.427199|2.493702|2.954499|3.617208|3.417811|6.343898|4.225893|4.636698|3.722687|3.039202|2.911597|3.293914|20.049750|3.601556|7.775244|6.616571|9.547858|6.809244|7.233301|12.433862|5.763439|4.971455|7.599090|0.143568|9.046504|17.614650|4.118767|3.816967|3.456829|2.860296|2.465579|2.583303|2.999894|2.678934|3.208027|2.986342|0.071914|0.059621|0.061932|0.106161|0.159538|0.074292|0.070060|0.240529|0.165375|0.188323|0.144511|0.145730|0.127860|0.109754|0.129048|0.216405|0.217670|0.500000| |2.608139|2.259793|2.250803|2.574161|3.133994|3.155159|5.099467|3.378791|3.696062|3.079498|2.556672|2.443042|2.716969|16.935306|3.094801|7.128414|5.807094|7.932848|5.071231|6.725641|12.271813|7.250430|5.847727|9.215696|0.201679|8.818946|17.396837|4.484089|4.085172|4.013679|3.339202|2.724695|2.743193|3.085008|2.866420|3.609823|3.561475|0.070282|0.056296|0.055976|0.101643|0.126744|0.063792|0.059814|0.147761|0.129667|0.203466|0.143712|0.217016|0.146086|0.132407|0.133635|0.216104|0.173175|0.302743|0.500000| |1.878026|1.740237|1.807963|2.056673|2.301134|2.165242|3.716748|2.932569|3.659936|3.693584|2.966917|2.537712|2.525526|14.771021|4.746011|11.532913|9.232753|13.951287|2.993009|3.320180|6.030560|4.685269|7.051993|12.498414|0.182296|7.098245|4.697244|17.593566|8.776531|5.474427|4.822921|4.457278|5.768598|7.020578|7.023044|8.780193|5.475704|0.049683|0.044147|0.046771|0.063790|0.119100|0.078783|0.062372|0.090852|0.072863|0.083504|0.086547|0.112918|0.113123|0.170009|0.220933|0.171876|0.222381|0.113221|0.113403|0.500000| |1.730853|1.600543|1.648838|1.856984|2.072926|1.977602|3.302173|2.492129|2.902072|2.820287|2.385729|2.139566|2.176029|13.298334|3.240129|7.230339|6.558616|9.244717|2.764157|2.980305|5.141950|3.688245|4.543004|9.348359|0.173877|7.228765|4.689498|8.753959|17.602926|8.782053|5.499851|4.863720|5.535768|8.927199|4.875117|5.498351|4.836970|0.046210|0.040852|0.042747|0.058604|0.091926|0.063225|0.053554|0.085765|0.070233|0.079120|0.074554|0.097120|0.086772|0.112638|0.121527|0.261701|0.189854|0.120286|0.121299|0.211184|0.500000| |1.514561|1.398562|1.416010|1.557425|1.724969|1.692386|2.645773|1.948099|2.179482|2.107047|1.844879|1.696539|1.734001|10.953373|2.343226|5.396871|4.875852|6.148453|2.193043|2.406295|3.918760|2.973584|3.480730|6.382910|0.142860|4.309683|3.421450|5.486441|8.852962|17.559152|8.787967|6.936891|5.745798|6.957332|4.467503|4.849269|5.509928|0.041159|0.036162|0.036865|0.050419|0.067645|0.049320|0.043247|0.065290|0.057496|0.066566|0.061616|0.084019|0.071753|0.094733|0.088660|0.143339|0.106443|0.087345|0.098066|0.123184|0.214488|0.500000| |1.721856|1.565957|1.574172|1.740648|1.965829|1.948428|3.039248|2.201457|2.475139|2.324722|1.997117|1.843434|1.915322|12.024270|2.560518|6.015051|5.162578|6.705333|2.583219|2.957939|4.992610|3.902186|4.591133|9.224925|0.243093|5.750055|4.518057|6.723452|8.689806|17.463220|8.771181|5.500747|4.817283|5.476975|4.420083|5.653467|6.855686|0.046915|0.040238|0.040561|0.059063|0.079005|0.052544|0.046494|0.076241|0.067230|0.082715|0.074859|0.113961|0.090127|0.123950|0.109018|0.190408|0.128272|0.108520|0.135855|0.138365|0.209058|0.305517|0.500000| |1.473636|1.355161|1.355988|1.473217|1.631818|1.629595|2.454972|1.798351|2.000699|1.931314|1.699642|1.569551|1.605132|10.190838|2.143380|5.147806|4.471009|5.375205|2.003821|2.267957|3.641175|2.971574|3.500161|5.799486|0.137466|3.482278|2.966719|4.811301|5.506646|8.832829|17.561358|8.815278|5.508693|4.850653|4.850835|5.506648|8.832390|0.040485|0.035250|0.035283|0.048819|0.062074|0.045531|0.040159|0.057720|0.052539|0.063202|0.059937|0.087011|0.073448|0.104288|0.086511|0.103208|0.086021|0.073334|0.087033|0.106333|0.123247|0.211984|0.214094|0.500000| |1.327531|1.240486|1.257988|1.369344|1.491433|1.461734|2.251503|1.686946|1.888035|1.880405|1.675272|1.529030|1.532935|9.697786|2.128778|4.995839|4.583509|5.400990|1.802245|1.962694|3.123225|2.444142|2.908578|4.768994|0.101471|3.057863|2.529376|4.427294|5.704498|6.919921|8.803056|17.538549|8.795702|6.901265|5.510275|4.833646|5.510513|0.036133|0.032329|0.033052|0.043019|0.057379|0.045659|0.039403|0.052783|0.047120|0.053603|0.051886|0.068176|0.061661|0.083500|0.076897|0.091790|0.080520|0.064855|0.070786|0.106139|0.128343|0.207972|0.141675|0.212891|0.500000| |1.340114|1.251185|1.264956|1.372177|1.494642|1.471572|2.243269|1.686223|1.894843|1.893576|1.684689|1.532510|1.532246|9.657806|2.159480|5.217449|4.654417|5.351362|1.777260|1.963503|3.124397|2.531786|3.067781|4.768739|0.101353|2.902257|2.443168|4.427608|4.833816|5.510985|8.803096|17.538789|8.796203|5.510113|6.902389|5.705044|6.919059|0.036561|0.032653|0.033222|0.043342|0.057654|0.046006|0.039482|0.051345|0.046197|0.053362|0.052813|0.070728|0.064940|0.092255|0.080984|0.083145|0.076681|0.061616|0.068247|0.106151|0.106873|0.141572|0.123044|0.212876|0.303472|0.500000| |1.345275|1.269191|1.302959|1.427128|1.540586|1.485019|2.343297|1.805597|2.064671|2.129201|1.894665|1.687825|1.654874|10.277790|2.512945|5.928394|5.572344|6.379305|1.834252|1.971821|3.162091|2.471797|3.051035|4.784679|0.093993|3.049760|2.472416|4.860839|5.502804|4.852177|5.507606|8.814961|17.563941|8.843829|8.843552|5.502485|4.851530|0.036257|0.032994|0.034393|0.043200|0.062083|0.052522|0.043470|0.054004|0.047186|0.052436|0.052740|0.066183|0.063658|0.087213|0.085542|0.087249|0.085344|0.063633|0.066295|0.129328|0.124161|0.128440|0.106375|0.123340|0.212530|0.212535|0.500000| 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|1.430263|1.342605|1.381471|1.526974|1.662198|1.594639|2.566001|1.956790|2.231518|2.255269|1.987012|1.783916|1.773034|11.031725|2.610820|5.895285|5.635707|6.991097|2.061001|2.188065|3.552210|2.651786|3.205682|5.539709|0.109052|3.829315|2.957903|5.543565|8.865169|6.953917|5.725927|6.904521|8.785722|17.554103|5.533009|4.852728|4.456424|0.038427|0.034716|0.036303|0.046604|0.067787|0.054261|0.045645|0.062169|0.053268|0.058585|0.056788|0.071146|0.066002|0.086316|0.088228|0.119253|0.105990|0.077561|0.079179|0.143171|0.218097|0.210126|0.141791|0.127979|0.206222|0.141055|0.211993|0.303626|0.500000| 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