Version2.0 2020-02-03T12:19:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1nnc(n1NC(=S)NC(=O)c2cc(c(c(c2)OCC)OCC)OCC)SCc3ccccc3 C59331398 RHF 6-31G(d) (6D,7F) CCc1nnc(n1NC(=S)NC(=O)c2cc(c(c(c2)OCC)OCC)OCC)SCc3ccccc3 C01[X(C25H31N5O4S2)] 195 C1 610 CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nn1c(CC)nnc1SCc1ccccc1 CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nn1c(CC)nnc1SCc1ccccc1 CCOc1cc(cc(OCC)c1OCC)C(=O)NC(=S)Nn2c(CC)nnc2SCc3ccccc3 InChIKey=RUBSLWNTMKZJKI-UHFFFAOYSA-N InChI=1S/C25H31N5O4S2/c1-5-21-27-28-25(36-16-17-12-10-9-11-13-17)30(21)29-24(35)26-23(31)18-14-19(32-6-2)22(34-8-4)20(15-18)33-7-3/h9-15H,5-8,16H2,1-4H3,(H2,26,29,31,35) InChI=1/C25H31N5O4S2/c1-5-21-27-28-25(36-16-17-12-10-9-11-13-17)30(21)29-24(35)26-23(31)18-14-19(32-6-2)22(34-8-4)20(15-18)33-7-3/h9-15H,5-8,16H2,1-4H3,(H2,26,29,31,35)/f/h26,29H CCc1nnc(n1NC(=S)NC(=O)c2cc(c(c(c2)OCC)OCC)OCC)SCc3ccccc3 C01[X(C25H31N5O4S2)] 195 C01 610 CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nn1c(CC)nnc1SCc1ccccc1 CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)NN1[C@H](NN=C1CC)SCc1ccccc1 CCOc1cc(cc(OCC)c1OCC)C(=O)NC(=S)NN2[C@H](NN=C2CC)SCc3ccccc3 InChIKey=JGORLLQATGAWPS-VWLOTQADSA-N InChI=1S/C25H33N5O4S2/c1-5-21-27-28-25(36-16-17-12-10-9-11-13-17)30(21)29-24(35)26-23(31)18-14-19(32-6-2)22(34-8-4)20(15-18)33-7-3/h9-15,25,28H,5-8,16H2,1-4H3,(H2,26,29,31,35)/t25-/m0/s1 InChI=1/C25H33N5O4S2/c1-5-21-27-28-25(36-16-17-12-10-9-11-13-17)30(21)29-24(35)26-23(31)18-14-19(32-6-2)22(34-8-4)20(15-18)33-7-3/h9-15,25,28H,5-8,16H2,1-4H3,(H2,26,29,31,35)/t25-/m0/s1/f/h26,29H 4116.4268567705 -2331.402057 1-A 28940.0110 140 470 610 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.96711 -91.90329 -20.60043 -20.59751 -20.57368 -20.56295 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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| 7.7106 8.0462 18.0863 19.4828 25.0975 31.7759 36.5574 42.6720 49.0683 52.7464 61.7712 64.9497 68.5480 75.3422 79.6006 82.0105 101.2846 102.9066 106.9775 108.5447 121.9080 136.8346 141.8540 178.2867 187.7524 200.0863 213.5062 223.2508 237.8460 249.7365 269.5310 274.0473 279.3627 292.7462 296.6013 300.5620 310.4416 329.5027 339.9438 351.8887 357.1753 364.8301 374.0586 411.1607 414.9778 451.7440 455.5764 489.4435 491.1916 521.5648 531.1613 543.3180 573.6526 617.2395 622.2398 638.8134 642.7470 662.9632 676.4093 680.7057 690.1356 735.3717 747.0513 765.4938 769.8912 790.6738 798.5141 803.5662 812.2909 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4634.93 4670.04 4675.49 4679.38 4685.47 4695.35 4718.33 4725.90 4727.67 4729.39 4729.94 4743.76 4746.09 4747.27 4755.24 4813.80 4825.64 4832.79 4846.15 4860.93 4876.67 4911.65 4947.54 5534.76 5547.87 0.581463 0.617394 0.618338 0.504358 -2330.820594 -2330.784663 -2330.783719 -2330.897699 3.822908D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE CCc1nnc(n1NC(=S)NC(=O)c2cc(c(c(c2)OCC)OCC)OCC)SCc3ccccc3 C59331398 RHF 6-31G(d) (6D,10F) C1 529.181748 |X|Y|Z| 140.091310 90.582638 33.304529 75.044664 23 6 7 16 17 5 1 |36.858105| |12.422599|36.858105| |7.543713|12.742758|36.858105| |5.561498|7.696611|14.936132|53.358707| |4.268400|5.268417|8.831650|18.822642|53.358707| |4.342382|5.253084|8.759635|12.101964|20.341021|36.858105| |5.796853|7.488676|13.844721|12.021553|11.995209|13.941126|53.358707| |5.332431|6.169841|7.730322|7.464703|7.491249|7.868047|19.169010|53.358707| |4.329504|5.156801|5.741798|5.974890|5.951815|5.705286|10.812966|18.932242|36.858105| |3.785360|4.884242|5.328922|5.898236|5.750487|5.041073|8.501606|9.751828|11.664862|388.023441| |3.681467|3.991235|4.203421|4.633869|4.682542|4.323818|7.352195|11.596852|13.833117|50.339968|53.358707| |3.142016|3.353387|3.354598|3.817692|3.795432|3.317070|5.384126|7.288217|7.633796|41.357644|18.519555|36.858105| |3.126450|3.391344|3.256990|3.708358|3.593379|3.046420|4.967328|6.340699|6.531573|42.087383|11.407138|16.073878|73.516695| |2.624917|2.710568|2.743565|3.231109|3.274037|2.826450|4.362129|5.600194|5.085520|29.240835|10.673149|12.720448|14.328352|36.858105| |2.379635|2.413319|2.379237|2.832991|2.830618|2.377974|3.643955|4.479976|3.884886|23.798791|7.154526|7.753453|11.970244|13.760457|36.858105| |2.067986|2.075627|2.064694|2.506080|2.527209|2.101833|3.140695|3.749569|3.116385|19.471519|5.427582|5.090066|8.060007|7.955752|13.724643|36.858105| |1.962313|1.973156|2.005693|2.462255|2.525999|2.112487|3.091280|3.664283|2.988491|18.545423|5.158120|4.469301|6.794064|6.887667|7.906981|13.663796|36.858105| |2.094189|2.127570|2.211661|2.712567|2.828468|2.410392|3.497550|4.209157|3.446911|20.831738|6.111210|5.029421|7.159182|7.945246|6.838575|7.889953|13.676744|36.858105| |2.422254|2.498017|2.614590|3.144287|3.277181|2.858279|4.242096|5.341763|4.594616|26.423084|9.008633|7.549369|9.492240|13.721493|7.887166|6.837971|7.905681|13.707291|36.858105| |1.917674|1.946169|2.052092|2.562195|2.711048|2.297322|3.241118|3.791471|3.004448|18.484458|5.027052|3.858671|5.698122|5.210844|4.617659|5.285628|8.222668|14.190430|7.886903|73.516695| |1.944995|1.995473|2.154441|2.718694|2.938898|2.515813|3.457836|3.997303|3.122863|19.240608|5.060789|3.647322|5.376108|4.504956|3.779955|3.970727|5.252034|7.976453|6.698676|24.051924|36.858105| |1.712086|1.746793|1.883384|2.418933|2.621263|2.196089|2.963622|3.314438|2.530568|16.041111|3.924929|2.827754|4.338581|3.341238|2.976627|3.198502|4.099802|5.237066|4.402656|14.367821|12.577428|36.858105| |1.735585|1.736240|1.765207|2.196575|2.257623|1.863089|2.686148|3.104332|2.475676|15.708034|4.082887|3.395252|5.372579|4.629880|5.233806|8.017810|14.116611|8.024958|5.233469|12.781149|4.705310|4.079836|73.516695| |1.693086|1.666942|1.690045|2.109693|2.164787|1.777271|2.557345|2.932831|2.277205|14.302794|3.702327|2.976244|4.733710|3.860192|4.285740|5.947910|8.114495|5.939654|4.284546|10.364127|4.134210|3.787930|23.931131|36.858105| |1.492600|1.472829|1.493913|1.885895|1.936881|1.571730|2.236257|2.515115|1.940837|12.462267|3.064768|2.433866|3.963919|3.004185|3.287797|4.265030|5.254741|4.260132|3.285795|7.950249|3.455563|3.415859|14.319228|12.583419|36.858105| |1.880761|1.872326|1.840912|2.253343|2.255698|1.846266|2.744579|3.200275|2.610127|16.743140|4.332157|3.911768|6.606685|5.217882|7.894768|14.204624|8.223982|5.288266|4.618964|7.312075|3.211302|2.743390|12.770731|5.859014|4.488191|73.516695| |1.886735|1.876946|1.812324|2.212595|2.185825|1.771467|2.656502|3.071716|2.514683|16.464542|4.075058|3.719790|6.689041|4.514886|6.714088|7.986778|5.252549|3.972649|3.782203|5.709225|2.657240|2.304514|8.357738|4.147586|3.464971|24.026273|36.858105| |1.661492|1.644803|1.588730|1.963165|1.940146|1.554680|2.303742|2.610403|2.096240|13.926567|3.294980|2.870833|5.171542|3.346238|4.408988|5.240783|4.099158|3.199029|2.977418|4.876109|2.304132|2.067680|7.244633|3.801603|3.427419|14.365858|12.577718|36.858105| |3.245573|3.632880|4.925771|6.705429|9.492489|10.864364|9.479203|8.327191|5.017805|30.747371|5.783121|3.280384|5.163978|2.939357|2.430439|2.190003|2.270029|2.669867|3.147884|4.659028|3.003132|2.618073|3.570450|1.910037|1.688685|3.381963|1.787133|1.569985|388.023441| |2.714159|3.018607|3.950314|6.001405|8.800902|6.977429|6.388271|5.416833|3.482679|23.501479|4.134904|2.517816|4.101746|2.309857|1.980737|1.822698|1.891636|2.173492|2.458836|3.869757|2.483312|2.271801|3.049011|1.642430|1.483411|2.875329|1.530240|1.368308|73.935186|36.858105| |2.275440|2.468502|3.050020|4.455075|5.827149|4.654206|4.854430|4.439782|2.977046|20.080572|3.712867|2.321505|3.760874|2.199075|1.897326|1.777726|1.876915|2.168868|2.398580|3.963400|2.602965|2.447712|3.062521|1.651703|1.504612|2.809840|1.481427|1.333017|49.651414|12.624093|36.858105| |2.130508|2.243227|2.703715|3.909002|4.904698|3.866928|4.233371|3.952846|2.624423|17.310167|3.365828|2.128629|3.440732|2.055884|1.794755|1.703926|1.812241|2.083076|2.257180|3.861788|2.533768|2.444096|2.990448|1.635241|1.497739|2.709912|1.423058|1.289129|38.298401|7.565452|13.710191|36.858105| |1.858589|1.942121|2.275483|3.242887|3.903355|3.058917|3.510135|3.367156|2.296462|15.287548|3.013618|1.950645|3.161357|1.921052|1.694906|1.632484|1.753661|2.008439|2.129109|3.794646|2.507993|2.505117|2.933267|1.607846|1.489392|2.611009|1.364946|1.245383|28.722869|5.020101|7.903377|13.752989|36.858105| |1.734984|1.833198|2.128561|3.015481|3.584973|2.811438|3.272250|3.172764|2.224745|15.126636|2.931384|1.924305|3.131268|1.904443|1.682400|1.626194|1.753517|2.010269|2.119856|3.823488|2.549433|2.577772|2.943803|1.596866|1.488170|2.601844|1.358610|1.241303|26.080338|4.434379|6.835402|7.937091|13.751514|36.858105| |1.809621|1.948998|2.284241|3.243614|3.898886|3.072521|3.533010|3.407221|2.426896|16.866084|3.151687|2.063065|3.366228|2.016682|1.766069|1.690187|1.812373|2.087782|2.236218|3.924236|2.622164|2.584856|3.013439|1.612657|1.495415|2.690180|1.409161|1.280390|28.934521|5.020845|7.904209|6.886203|7.949217|13.746777|36.858105| |2.057588|2.253663|2.718174|3.909904|4.895244|3.893923|4.273149|4.017611|2.823895|19.705690|3.561019|2.276868|3.709216|2.174124|1.879710|1.769699|1.877101|2.171782|2.385716|3.998283|2.651380|2.517797|3.075328|1.640244|1.503818|2.798526|1.473264|1.327985|38.795091|7.565528|13.704731|7.958343|6.884864|7.936027|13.757522|36.858105| |17.573288|8.778358|6.859160|7.803322|5.965637|4.252778|7.138895|6.224566|3.679285|23.244307|4.330506|2.728254|4.771537|2.344861|2.134911|1.888801|1.814286|1.938718|2.209980|3.202725|1.840813|1.640517|2.884344|1.594012|1.416045|3.071514|1.723560|1.534515|22.634970|2.750040|2.294984|2.172084|1.885313|1.742451|1.802972|2.048763|0.500000| |17.539114|8.719077|6.737566|6.703152|5.580356|4.441962|8.311139|8.478444|4.823922|27.634597|5.765468|3.524392|6.068766|2.943014|2.641150|2.279963|2.163444|2.321003|2.708968|3.750853|2.131030|1.856772|3.371740|1.857409|1.619430|3.650336|2.043213|1.782608|24.460562|2.771428|2.346197|2.213158|1.931962|1.796583|1.864674|2.113571|0.301240|0.500000| |17.567480|8.812610|5.514272|5.974395|4.741603|3.516364|6.084237|5.881811|3.780223|24.324656|4.536161|2.972310|5.394558|2.501721|2.321685|2.020437|1.893961|1.988822|2.276170|3.223195|1.816627|1.606540|2.991026|1.644304|1.454748|3.308313|1.893236|1.675176|19.625914|2.358265|2.018984|1.901052|1.682294|1.582338|1.647568|1.851310|0.301110|0.302377|0.500000| |8.836923|17.607747|9.171281|10.049834|6.640007|4.510794|7.722191|6.356175|4.142866|30.051168|4.512029|2.888935|5.277277|2.384501|2.157547|1.878341|1.787593|1.911913|2.210230|3.134198|1.807891|1.601960|2.825992|1.527321|1.362866|3.046900|1.728457|1.531243|22.836376|2.812909|2.313120|2.102909|1.831360|1.736326|1.847996|2.128032|0.211363|0.172435|0.212712|0.500000| |8.794914|17.581107|8.988634|8.032968|6.151648|4.758874|9.326611|8.837718|6.064806|42.372360|6.216316|3.891899|7.229876|3.019954|2.681060|2.258850|2.116404|2.273624|2.707765|3.639793|2.079854|1.800971|3.276266|1.751919|1.539501|3.604465|2.048567|1.775145|24.772419|2.842808|2.369875|2.142560|1.875775|1.791917|1.917639|2.205358|0.172613|0.208905|0.212005|0.303163|0.500000| |5.508787|5.577411|6.392532|6.474689|6.453873|6.362194|12.968441|26.025307|9.267411|38.231691|10.873925|5.194255|7.849962|4.187463|3.384748|2.853582|2.793339|3.197326|4.013812|5.109977|2.993205|2.481688|4.203347|2.268262|1.928151|4.328159|2.322833|1.972643|38.431539|3.641494|3.069272|2.826821|2.426190|2.258631|2.375842|2.747886|0.132202|0.196874|0.123841|0.118231|0.157639|0.500000| |3.529736|3.673047|3.960165|4.459182|4.619987|4.326874|7.076072|11.004448|9.404814|38.603961|26.026669|9.332409|10.923719|7.604288|5.088135|4.054077|4.022837|4.972628|7.432351|7.352465|4.220549|3.199857|5.645795|2.925099|2.389382|5.694447|2.930535|2.389752|32.058477|3.147727|2.865389|2.640383|2.362584|2.273493|2.412252|2.709946|0.086765|0.115274|0.087919|0.085132|0.111429|0.241407|0.500000| |2.444439|2.476348|2.382667|2.821423|2.772582|2.301570|3.571608|4.345237|3.782074|23.824909|6.655367|7.301172|13.358569|8.989155|17.801121|8.850827|5.619322|4.941179|5.647865|6.518496|3.131354|2.552929|7.488851|3.615910|2.897628|12.482671|7.414817|4.674814|16.287157|1.885205|1.788154|1.687416|1.587833|1.573494|1.654148|1.767480|0.060340|0.074828|0.067321|0.061749|0.077462|0.090631|0.125728|0.500000| |2.512957|2.630416|2.837756|3.425718|3.649639|3.258249|4.749796|6.027346|5.167783|29.015358|9.893696|6.938947|8.777730|8.897752|5.629175|4.939674|5.634402|8.906888|17.779548|12.589540|7.478070|4.699376|7.513365|3.619683|2.901012|6.519331|3.130230|2.552617|26.640135|2.829217|2.767223|2.571593|2.404299|2.395997|2.552664|2.755195|0.064031|0.077930|0.064519|0.064360|0.078512|0.123332|0.240346|0.124467|0.500000| |2.121469|2.163439|2.363330|2.968626|3.237722|2.819098|3.866078|4.523217|3.439171|20.410357|5.602468|3.825245|5.525701|4.578134|3.719546|3.760693|4.728893|7.014477|6.767402|16.509114|17.537733|8.853166|7.333397|3.812308|3.150344|5.405691|2.559025|2.209643|24.499814|2.760238|2.878611|2.821852|2.747726|2.728681|2.782064|2.858860|0.055881|0.065260|0.054470|0.053935|0.062193|0.095632|0.136306|0.086408|0.229270|0.500000| |1.958193|2.045190|2.221433|2.807587|3.047829|2.616310|3.577782|4.124414|3.314947|20.936219|5.310385|3.850544|5.694847|4.636649|3.790911|3.846155|4.849250|7.155013|6.807223|16.530028|17.553688|8.845311|7.541095|3.595551|3.071192|5.516637|2.616800|2.256721|22.345018|2.594537|2.719215|2.579874|2.543175|2.636987|2.788927|2.837031|0.051268|0.059102|0.050745|0.051598|0.059618|0.083573|0.119143|0.087939|0.226498|0.300821|0.500000| |1.680468|1.692234|1.813197|2.328485|2.509492|2.090764|2.834218|3.163037|2.375652|14.918066|3.685303|2.651079|4.086362|3.133216|2.853836|3.114110|3.990235|4.865530|4.020474|12.951113|8.863730|17.577120|7.301638|4.066521|3.699101|4.829114|2.274010|2.061085|17.503246|2.146977|2.300935|2.340373|2.401424|2.423622|2.382168|2.322483|0.044912|0.050818|0.043909|0.043109|0.048224|0.066782|0.084146|0.068358|0.115639|0.212271|0.173374|0.500000| |1.694433|1.738529|1.897432|2.463714|2.704493|2.262064|2.992509|3.292341|2.484343|15.892670|3.754244|2.643233|4.085944|3.005817|2.652467|2.771676|3.393108|4.240548|3.846496|10.251486|8.882674|17.557489|5.910811|3.124680|2.867115|4.272880|2.066952|1.864020|19.645288|2.439598|2.699964|2.716978|2.842967|2.970095|2.952316|2.811728|0.045386|0.050770|0.043937|0.044432|0.049444|0.067926|0.084682|0.064335|0.118509|0.212854|0.212549|0.300434|0.500000| |1.595738|1.633805|1.746732|2.248394|2.418079|2.004056|2.714665|3.017071|2.333490|15.119419|3.598190|2.659162|4.152863|3.151267|2.885076|3.161271|4.060483|4.910544|4.028214|12.959336|8.870344|17.584194|7.503875|3.805386|3.571798|4.906402|2.313720|2.098652|16.666826|2.066493|2.217519|2.197215|2.261892|2.359400|2.387127|2.311257|0.042411|0.047743|0.041886|0.041888|0.046992|0.062252|0.079590|0.069095|0.115275|0.173504|0.212228|0.300949|0.300274|0.500000| |1.744507|1.701679|1.705013|2.116414|2.151223|1.760830|2.561561|2.946576|2.282550|14.275898|3.718594|3.021411|4.860658|3.880330|4.516951|6.321652|7.270082|5.210555|4.057679|8.425980|3.551769|3.204666|16.525943|17.564620|8.842093|12.077498|4.768020|4.385974|13.239294|1.597449|1.589732|1.571959|1.534195|1.514431|1.530612|1.568058|0.045462|0.053342|0.047392|0.043260|0.049801|0.063766|0.081091|0.108292|0.094516|0.094233|0.087791|0.094653|0.075704|0.088110|0.500000| |1.755384|1.721506|1.761530|2.201104|2.275011|1.879058|2.689851|3.092306|2.367136|14.633001|3.857824|3.009348|4.693064|3.875114|4.053534|5.211592|7.260019|6.299155|4.510680|11.959604|4.736814|4.354603|16.526811|17.560121|8.841722|8.457631|3.561458|3.215232|14.546488|1.748747|1.767187|1.762928|1.735078|1.712645|1.717119|1.744062|0.046097|0.053818|0.046990|0.043626|0.049928|0.067038|0.086717|0.094448|0.108266|0.123945|0.108780|0.135980|0.098002|0.116621|0.300578|0.500000| |1.440102|1.425115|1.436134|1.812986|1.852020|1.495437|2.134322|2.392731|1.860402|12.096079|2.921345|2.353909|3.899572|2.879487|3.237084|4.231499|4.885604|3.844506|3.053178|6.879108|3.055738|2.986250|12.927823|8.874128|17.577267|8.468452|3.726072|3.860280|11.316628|1.404232|1.418330|1.404283|1.394020|1.397690|1.411960|1.422569|0.037866|0.043180|0.039208|0.036776|0.041540|0.050648|0.062325|0.080731|0.074612|0.077422|0.077790|0.087250|0.070975|0.087753|0.212307|0.173429|0.500000| |1.450323|1.419765|1.437639|1.820115|1.866776|1.508062|2.141854|2.393589|1.823498|11.681853|2.851371|2.231423|3.648748|2.690900|2.914603|3.631206|4.265507|3.626419|2.913032|6.784869|3.085766|3.103219|10.219518|8.871831|17.547018|6.814281|3.097240|3.118760|11.484114|1.427304|1.447940|1.452311|1.446323|1.436453|1.432672|1.438472|0.038410|0.043715|0.039325|0.036556|0.040988|0.051266|0.061975|0.072667|0.072702|0.080264|0.075945|0.095423|0.073801|0.088377|0.211978|0.211994|0.300276|0.500000| |1.446164|1.436665|1.469366|1.865295|1.929146|1.565747|2.206731|2.468694|1.905291|12.310812|2.987319|2.348195|3.811521|2.877363|3.053303|3.845321|4.882698|4.224366|3.232567|8.438121|3.715815|3.847807|12.929522|8.873017|17.576621|6.890774|3.059357|2.990665|12.099831|1.503576|1.539906|1.535259|1.539353|1.548749|1.554183|1.549915|0.038229|0.043430|0.038979|0.037000|0.041613|0.052239|0.064770|0.074487|0.080837|0.091532|0.091267|0.116337|0.088316|0.115763|0.173427|0.212258|0.300888|0.300268|0.500000| |1.897203|1.916122|1.848488|2.255571|2.224572|1.801049|2.703860|3.121359|2.606384|17.459825|4.193354|3.934134|7.348331|4.645740|6.833897|7.172683|4.853055|3.848360|3.790731|5.519827|2.617567|2.258099|7.543009|3.606875|3.080216|16.529679|17.559303|8.842128|12.869914|1.550862|1.497494|1.426901|1.366510|1.367300|1.429059|1.498419|0.047938|0.056621|0.052896|0.049169|0.058620|0.064585|0.081822|0.224216|0.087878|0.069627|0.073231|0.060955|0.056683|0.063315|0.109404|0.087988|0.091590|0.076215|0.077904|0.500000| |2.043822|2.008739|1.915326|2.318568|2.271311|1.841224|2.795212|3.252827|2.645282|17.061279|4.300540|3.920452|7.115313|4.597218|6.785456|7.026367|4.732986|3.766755|3.728993|5.408922|2.560541|2.210660|7.329723|3.822443|3.156637|16.510857|17.548261|8.848560|13.042872|1.561125|1.498549|1.440574|1.372759|1.356834|1.404902|1.477752|0.051528|0.061908|0.057370|0.051125|0.061105|0.069035|0.085748|0.228289|0.086430|0.069987|0.069666|0.060959|0.055506|0.060734|0.124574|0.094497|0.091673|0.080498|0.077500|0.300959|0.500000| |1.635147|1.618280|1.548977|1.915668|1.880259|1.496538|2.222851|2.499619|2.004484|13.480501|3.100474|2.686332|4.954117|3.010513|3.851931|4.243342|3.392898|2.772280|2.653383|4.272426|2.066763|1.864117|5.905580|3.133674|2.875197|10.249241|8.882855|17.556289|10.635056|1.310736|1.271299|1.227335|1.183254|1.178689|1.217467|1.265558|0.041912|0.048400|0.046173|0.042085|0.048605|0.052275|0.061834|0.118000|0.064315|0.055481|0.056658|0.051494|0.047213|0.052420|0.098546|0.075912|0.088554|0.074119|0.071066|0.212436|0.212672|0.500000| |1.633671|1.600333|1.548032|1.916778|1.897007|1.518998|2.245207|2.538754|2.008449|13.187323|3.153617|2.687276|4.755134|3.138177|4.023541|4.865964|3.988326|3.114742|2.855889|4.826692|2.273371|2.060504|7.287569|4.080445|3.710001|12.947339|8.862038|17.575745|10.936383|1.342775|1.311136|1.276613|1.235438|1.226220|1.256773|1.300126|0.042124|0.048882|0.045731|0.041346|0.047606|0.053787|0.064457|0.115173|0.068370|0.060938|0.060913|0.057849|0.051482|0.057815|0.136982|0.095012|0.116533|0.095924|0.087351|0.173331|0.212158|0.300475|0.500000| |1.555773|1.552245|1.512026|1.880633|1.869419|1.496111|2.196908|2.474595|1.991141|13.368134|3.110389|2.691500|4.822664|3.153207|4.033324|4.913355|4.058819|3.159987|2.883012|4.904341|2.312715|2.098507|7.495999|3.820702|3.587210|12.957115|8.867806|17.582839|10.833029|1.336138|1.310335|1.266975|1.230786|1.233836|1.273883|1.314039|0.040092|0.046149|0.043366|0.040289|0.046401|0.051597|0.062733|0.114639|0.069073|0.060692|0.063245|0.057838|0.052411|0.060020|0.117509|0.088391|0.116354|0.088897|0.087920|0.212114|0.173445|0.300327|0.300926|0.500000| |2.800917|3.053680|3.998308|6.304725|9.322588|6.657989|6.191404|5.118016|3.199084|21.331360|3.817915|2.339219|3.837535|2.149753|1.866332|1.722652|1.778841|2.020256|2.265200|3.589748|2.269824|2.094521|2.881977|1.568048|1.419893|2.738354|1.463754|1.315112|56.506454|17.655236|8.832725|7.123338|4.715989|3.966855|4.199321|5.638782|0.080818|0.078877|0.067201|0.079642|0.077948|0.098050|0.081019|0.049640|0.071208|0.070144|0.064843|0.055768|0.062026|0.052998|0.042602|0.046405|0.037341|0.038185|0.039820|0.041020|0.041685|0.035090|0.035994|0.035562|0.500000| |2.671452|3.060778|4.012831|6.294850|9.253167|6.687197|6.229024|5.173618|3.435224|24.499544|3.991860|2.463838|4.081311|2.231917|1.923990|1.762107|1.812910|2.065313|2.341427|3.646302|2.314748|2.115942|2.922104|1.563844|1.417613|2.790918|1.496441|1.339475|56.615040|17.651026|8.830901|5.658527|4.206991|3.966712|4.704814|7.083145|0.074742|0.074318|0.064921|0.080738|0.080469|0.094167|0.082209|0.051267|0.074199|0.070178|0.068020|0.055249|0.062721|0.054185|0.042331|0.045851|0.037510|0.037791|0.039891|0.042411|0.042338|0.035789|0.036345|0.036388|0.302768|0.500000| |2.242625|2.323500|2.805747|4.077052|5.105397|3.977613|4.361109|4.027980|2.606289|16.908841|3.338738|2.099853|3.396402|2.021921|1.772892|1.680977|1.778569|2.030899|2.200958|3.738888|2.416092|2.319953|2.934087|1.619071|1.479484|2.681346|1.411792|1.280078|37.540175|7.020613|8.914099|17.703029|8.924991|5.647278|4.957736|5.652642|0.064351|0.064879|0.055261|0.060358|0.060845|0.081391|0.073209|0.046469|0.069034|0.075408|0.067329|0.062659|0.070555|0.057801|0.043504|0.048608|0.038489|0.040068|0.041884|0.039149|0.039930|0.033900|0.035342|0.034795|0.214585|0.143890|0.500000| |1.763932|1.817128|2.099719|2.979151|3.513920|2.731256|3.202443|3.093302|2.103865|13.914086|2.790715|1.821491|2.957768|1.809152|1.611887|1.564596|1.683590|1.912543|2.001837|3.632518|2.376698|2.414332|2.840136|1.572709|1.465220|2.517976|1.315530|1.206900|24.625558|4.095518|5.633508|8.925141|17.715504|8.910607|5.648360|4.958029|0.049950|0.051033|0.044569|0.047681|0.048651|0.062783|0.061016|0.041979|0.062035|0.072233|0.065846|0.065412|0.075819|0.060574|0.041712|0.047287|0.038005|0.039778|0.042072|0.036409|0.036779|0.031848|0.033405|0.033125|0.112023|0.096998|0.215665|0.500000| |1.586320|1.665360|1.903859|2.680766|3.121215|2.432535|2.895654|2.836102|2.007978|13.700099|2.677000|1.783787|2.914326|1.784690|1.592906|1.554809|1.683397|1.915401|1.988249|3.677951|2.440466|2.533548|2.857268|1.554582|1.463176|2.503446|1.305504|1.200332|21.779691|3.546642|4.932342|5.644147|8.909870|17.715840|8.908393|5.643960|0.044214|0.045617|0.040502|0.043973|0.045396|0.056437|0.057582|0.041374|0.061709|0.071442|0.069722|0.066459|0.081636|0.065088|0.040809|0.046255|0.038178|0.039308|0.042519|0.036444|0.036081|0.031644|0.032989|0.033263|0.090335|0.090334|0.124171|0.214677|0.500000| |1.691152|1.827160|2.111973|2.980100|3.508052|2.748496|3.233466|3.149063|2.290331|16.207353|2.993272|1.992735|3.273928|1.957847|1.725243|1.658201|1.779174|2.039168|2.167596|3.841743|2.557176|2.545586|2.973374|1.580778|1.475500|2.648280|1.388316|1.265273|24.863528|4.096137|5.633958|4.958800|5.648628|8.909213|17.716489|8.927984|0.046554|0.048260|0.043107|0.048362|0.050367|0.060805|0.063024|0.044920|0.068228|0.073690|0.076569|0.064525|0.080792|0.066450|0.041547|0.046459|0.038856|0.039130|0.042779|0.039264|0.038239|0.033433|0.034396|0.035134|0.096776|0.111678|0.107604|0.124107|0.214654|0.500000| 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