Version2.0 2020-01-07T23:20:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1cc(cc(c1OC)OC)C(=O)N[C@@H](CCSC)C(=O)N2CCC3(CC2)c4c([nH]c[nH+]4)CCN3 C13570712 RHF 6-31G(d) (6D,7F) COc1cc(cc(c1OC)OC)C(=O)N[C@@H](CCSC)C(=O)N2CCC3(CC2)c4c([nH]c[nH+]4)CCN3 C01[X(C25H36N5O5S1)] 210 C1 616 CSCC[C@@H](C(=O)N1CCC2(CC1)NCCc1c2[nH+]c[nH]1)NC(=O)c1cc(OC)c(c(c1)OC)OC CSCC[C@@H](C(=O)N1CCC2(CC1)NCCc1c2[nH+]c[nH]1)NC(=O)c1cc(OC)c(c(c1)OC)OC COc1cc(cc(OC)c1OC)C(=O)N[C@@H](CCSC)C(=O)N2CCC3(CC2)NCCc4[nH]c[nH+]c34 InChIKey=RJNLUZUZPNRDJZ-SFHVURJKSA-O InChI=1S/C25H35N5O5S/c1-33-19-13-16(14-20(34-2)21(19)35-3)23(31)29-18(6-12-36-4)24(32)30-10-7-25(8-11-30)22-17(5-9-28-25)26-15-27-22/h13-15,18,28H,5-12H2,1-4H3,(H,26,27)(H,29,31)/p+1/t18-/m0/s1 InChI=1/C25H35N5O5S/c1-33-19-13-16(14-20(34-2)21(19)35-3)23(31)29-18(6-12-36-4)24(32)30-10-7-25(8-11-30)22-17(5-9-28-25)26-15-27-22/h13-15,18,28H,5-12H2,1-4H3,(H,26,27)(H,29,31)/p+1/t18-/m0/s1/fC25H36N5O5S/h26-27,29H/q+1 COc1cc(cc(c1OC)OC)C(=O)N[C@@H](CCSC)C(=O)N2CCC3(CC2)c4c([nH]c[nH+]4)CCN3 C01[X(C25H36N5O5S1)] 210 C01 616 CSCC[C@@H](C(=O)N1CCC2(CC1)NCCc1c2[nH+]c[nH]1)NC(=O)c1cc(OC)c(c(c1)OC)OC CSCC[C@@H](C(=O)N1CC[C@]2(CC1)NCCC1=C2NCN1)NC(=O)c1cc(OC)c(c(c1)OC)OC COc1cc(cc(OC)c1OC)C(=O)N[C@@H](CCSC)C(=O)N2CCC3(CC2)NCCC4=C3NCN4 InChIKey=KCPBUGWUCRQNLG-SFHVURJKSA-N InChI=1S/C25H37N5O5S/c1-33-19-13-16(14-20(34-2)21(19)35-3)23(31)29-18(6-12-36-4)24(32)30-10-7-25(8-11-30)22-17(5-9-28-25)26-15-27-22/h13-14,18,26-28H,5-12,15H2,1-4H3,(H,29,31)/t18-/m0/s1 InChI=1/C25H37N5O5S/c1-33-19-13-16(14-20(34-2)21(19)35-3)23(31)29-18(6-12-36-4)24(32)30-10-7-25(8-11-30)22-17(5-9-28-25)26-15-27-22/h13-14,18,26-28H,5-12,15H2,1-4H3,(H,29,31)/t18-/m0/s1/f/h29H 4081.5939578435 -2011.526725 1-A 30905.4507 138 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4635.83 4646.69 4649.65 4676.07 4683.43 4696.29 4703.59 4714.15 4716.44 4723.78 4734.77 4748.62 4759.93 4768.37 4775.92 4779.75 4790.23 4799.17 4800.54 4842.09 4844.93 4919.33 4952.35 5018.27 5499.42 5543.35 5554.27 5580.08 0.656409 0.690939 0.691883 0.584475 -2010.870316 -2010.835786 -2010.834842 -2010.942250 3.602482D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2020 DUDE COc1cc(cc(c1OC)OC)C(=O)N[C@@H](CCSC)C(=O)N2CCC3(CC2)c4c([nH]c[nH+]4)CCN3 C13570712 RHF 6-31G(d) (6D,10F) C1 518.243716 |X|Y|Z| 158.349800 62.093562 44.436282 75.881156 24 6 7 19 5 |36.858105| |13.592355|73.516695| |8.023872|25.240349|36.858105| |6.749049|14.030952|13.724182|36.858105| |4.529812|9.270971|7.949890|13.759289|36.858105| |3.792833|8.213627|6.842405|7.895408|13.719507|36.858105| |3.982709|9.407260|7.900432|6.847500|7.944762|13.717427|36.858105| |5.265463|14.628252|13.674555|7.907633|6.878875|7.903038|13.676841|36.858105| |4.701286|12.764597|8.014484|5.232575|4.626555|5.233801|8.024597|14.119608|73.516695| |4.195439|10.489619|5.980573|4.300443|3.860343|4.283906|5.945486|8.142778|24.025094|36.858105| |3.216936|7.316630|5.290349|4.621016|5.209615|7.886939|14.181075|8.226954|12.788959|5.848525|73.516695| |2.663699|5.719728|3.981375|3.790556|4.518655|6.732791|8.016125|5.267047|8.380344|4.155971|24.201301|36.858105| |3.733137|6.954666|5.089209|7.756659|12.712666|7.532333|5.024559|4.464837|6.032036|2.976195|6.852087|3.651367|36.858105| |3.806005|6.655370|4.557945|6.803070|8.045970|5.299527|4.012719|3.821306|5.366725|2.719456|5.673429|3.003160|15.816696|73.516695| |2.994786|5.629259|3.967279|5.232656|7.833411|6.605773|4.473917|3.771751|5.319421|2.639650|6.544985|3.740771|13.999202|15.114987|53.358707| |2.567871|4.670918|3.118741|3.926344|5.039972|4.406435|3.342791|2.946554|4.348617|2.205709|5.144327|2.982294|7.817005|12.352229|17.988914|36.858105| |2.687246|4.753124|3.117752|3.997299|4.834592|3.985576|3.111646|2.847979|4.219077|2.148196|4.737748|2.672665|7.707925|14.741267|12.738364|17.670494|0.500000| |2.245329|4.096366|2.688531|3.249858|4.044481|3.761323|2.957243|2.596561|3.915219|2.040779|4.712524|2.797767|5.557659|9.328003|10.452333|12.355171|0.245102|36.858105| |2.328563|4.218772|2.753268|3.339689|4.058660|3.693378|2.942562|2.625510|3.955049|2.105245|4.653539|2.705761|5.476584|9.958749|8.499727|7.438050|0.190997|12.477751|36.858105| |1.936292|3.506714|2.228137|2.573666|2.987183|2.855897|2.404668|2.168073|3.371432|1.832248|3.954262|2.334783|3.619616|6.544135|5.455868|4.587005|0.119843|6.976628|10.476170|388.023441| |1.970158|3.543593|2.219730|2.531941|2.837485|2.689475|2.324919|2.142290|3.357539|1.864319|3.817382|2.203642|3.296483|6.154654|4.578056|3.562233|0.097635|4.569355|6.832115|74.854372|36.858105| |2.301083|4.203073|2.756202|3.308746|4.069373|3.792230|3.015792|2.663979|4.029279|2.026077|4.793574|2.833629|5.345192|8.418391|10.779699|12.444091|0.243638|7.652059|4.913196|26.038258|2.873607|36.858105| |2.271087|4.237365|2.802628|3.278639|4.085708|4.048530|3.236890|2.790319|4.235388|2.105101|5.238939|3.175049|4.922301|7.344457|9.831435|8.046786|0.166675|5.889218|4.131480|22.990457|2.601324|15.848701|73.516695| |2.068483|3.709401|2.363960|2.779506|3.234139|3.001099|2.494643|2.267335|3.506572|1.783371|4.026066|2.360117|4.077902|6.938738|7.098710|7.634264|0.194907|6.032716|4.196141|23.986747|2.659600|13.952699|15.116383|53.358707| |1.865361|3.358550|2.111735|2.408362|2.740599|2.620971|2.249432|2.055304|3.240046|1.647618|3.710462|2.191845|3.239094|5.463216|5.390293|4.968753|0.128158|4.287834|3.229926|19.713265|2.246817|7.850728|12.526886|17.839031|36.858105| |1.641930|2.947121|1.831184|2.059358|2.312339|2.234116|1.949928|1.791079|2.860177|1.476639|3.263484|1.937876|2.691432|4.628999|4.354972|3.964095|0.103922|3.814869|2.970929|19.289760|2.183092|5.339604|8.637887|10.583879|12.465055|36.858105| |1.603418|2.837481|1.744878|1.970296|2.175121|2.060603|1.806065|1.683369|2.692827|1.401313|3.000761|1.756696|2.557204|4.552527|4.001575|3.693759|0.102502|3.632150|2.947041|19.453686|2.222977|4.496798|6.874880|8.875310|7.463186|12.311536|36.858105| |1.750224|3.079121|1.905256|2.193073|2.438697|2.262478|1.949745|1.816435|2.871511|1.497170|3.193985|1.857533|2.973977|5.422567|4.667594|4.598559|0.132645|4.614271|3.686416|23.718209|2.641975|5.242313|7.353297|10.590888|6.556675|7.573743|12.353902|36.858105| |2.023631|3.552405|2.224810|2.623829|2.952953|2.667863|2.250742|2.093803|3.257622|1.676185|3.614847|2.082516|3.753338|6.865750|6.004837|6.377880|0.195382|5.488200|4.179955|24.338955|2.738000|7.571941|9.417291|17.861185|7.825257|6.541260|7.450765|12.450786|36.858105| |1.436121|2.545224|1.554259|1.732771|1.899484|1.821266|1.616735|1.509775|2.438566|1.282030|2.717176|1.597351|2.191615|3.908657|3.377055|3.015128|0.083021|3.120892|2.635756|18.376101|2.117180|3.470087|5.520602|6.080743|4.917931|7.584825|12.619971|7.618458|4.920253|36.858105| |1.326683|2.342794|1.416964|1.564049|1.691442|1.624707|1.461211|1.376458|2.242549|1.182917|2.466969|1.443274|1.919432|3.437580|2.898511|2.510670|0.069843|2.565672|2.237152|15.719615|1.867444|2.833550|4.614683|4.762375|3.887669|5.386168|7.503058|5.250076|3.832375|14.213400|36.858105| |1.236531|2.189627|1.321692|1.449778|1.566528|1.516223|1.371155|1.290421|2.111992|1.121792|2.330691|1.368518|1.762869|3.153305|2.649720|2.264349|0.062510|2.374527|2.110743|15.303537|1.828151|2.494767|4.113329|4.024897|3.189164|4.218146|5.209444|4.194026|3.176611|8.717471|13.753050|53.358707| |1.164881|2.060454|1.237471|1.349367|1.448567|1.404774|1.279524|1.209272|1.989282|1.059676|2.181843|1.278340|1.615458|2.893134|2.405084|2.025403|0.056073|2.114283|1.907810|13.886730|1.687171|2.209347|3.678323|3.497468|2.762365|3.503889|4.156068|3.470879|2.744708|6.045499|8.931440|25.954995|0.500000| |1.266077|2.252249|1.367458|1.504343|1.640468|1.594800|1.434070|1.339853|2.185439|1.163379|2.441362|1.442864|1.856037|3.307110|2.818183|2.428990|0.066220|2.627257|2.323949|17.257053|2.018845|2.655307|4.361573|4.239009|3.274687|4.362892|5.192438|4.441716|3.305108|8.643295|8.648079|19.731555|0.257854|36.858105| |1.384124|2.466059|1.509246|1.676846|1.848500|1.789801|1.589694|1.475845|2.387171|1.263863|2.689600|1.593362|2.124910|3.774781|3.284706|2.912960|0.078832|3.174793|2.713082|19.809731|2.245689|3.248296|5.225352|5.370717|4.121318|5.870518|7.328018|6.123991|4.201429|13.743510|8.723154|12.183838|0.171391|14.503191|53.358707| |1.430953|2.561061|1.577476|1.759343|1.959692|1.904903|1.679550|1.547322|2.491916|1.320859|2.842345|1.694217|2.268455|4.008339|3.552564|3.187060|0.084775|3.614888|3.045669|22.701738|2.492054|3.516462|5.623023|5.694356|4.191576|5.737396|6.505655|6.183023|4.350631|8.917870|6.046250|8.402454|0.132024|9.300665|25.960635|0.500000| |1.312438|2.305321|1.384517|1.522089|1.627381|1.555971|1.409448|1.339376|2.190901|1.152263|2.375203|1.378742|1.831201|3.290744|2.727708|2.325078|0.065527|2.300754|2.025944|13.947782|1.692659|2.630157|4.322012|4.396495|3.661860|4.690609|6.182432|4.459997|3.546906|7.575262|12.750038|9.999337|0.180848|5.210150|7.130344|0.115957|36.858105| |1.429083|2.510951|1.514016|1.673089|1.793818|1.707444|1.538758|1.460783|2.378246|1.239477|2.578865|1.494142|2.028101|3.624589|3.043120|2.608793|0.073635|2.494490|2.151099|14.361504|1.733614|3.056818|5.014354|5.295010|4.688573|5.910456|7.622661|5.028791|4.214870|6.954271|7.869149|6.895126|0.123118|4.195112|6.335375|0.109323|12.415309|36.858105| |1.577402|2.763918|1.679588|1.885547|2.038973|1.915117|1.699775|1.607903|2.588432|1.344763|2.817289|1.628995|2.363212|4.258518|3.583464|3.189666|0.091415|3.014469|2.545688|16.646984|1.975558|3.782527|5.918916|7.057513|6.024313|7.516486|13.008617|7.802859|6.143000|8.127282|7.102635|6.419897|0.110456|4.253305|7.024164|0.125000|7.792093|13.080427|53.358707| |17.654534|17.014009|5.894243|4.917351|3.628794|3.186429|3.412744|4.427554|7.634257|3.993376|5.121562|2.408007|3.081683|5.584568|3.487758|2.243332|0.064970|1.992383|2.063166|12.462671|1.792206|2.042272|3.596546|2.532210|1.698991|1.509844|1.478271|1.600512|1.827121|1.333738|1.240541|1.578854|0.030476|1.184100|1.750959|0.036817|1.231638|1.335562|1.989905|0.500000| |17.566521|16.424905|7.023717|6.749806|4.587625|3.736152|3.783185|4.751483|7.358116|3.885131|5.438353|2.576767|3.909567|7.382614|4.178144|2.651042|0.077948|2.344667|2.489665|14.663679|2.134831|2.321464|4.012606|2.844775|1.862581|1.649745|1.624738|1.793472|2.069991|1.458912|1.344789|1.710075|0.032851|1.290516|1.921510|0.040652|1.324358|1.434639|2.166535|0.299879|0.500000| |17.567242|16.437949|7.060512|6.757047|4.602183|3.748893|3.798445|4.783314|7.444415|3.606007|5.451642|2.589128|3.917114|7.158618|4.277782|2.714222|0.079859|2.319368|2.363039|13.834812|1.947212|2.456820|4.293800|3.017468|1.998777|1.740925|1.700893|1.855499|2.171879|1.509642|1.393990|1.756260|0.033712|1.315616|1.963705|0.041286|1.386677|1.522068|2.294561|0.299967|0.298847|0.500000| |7.459234|12.481030|8.851598|17.805411|8.995571|5.652631|4.946159|5.620400|7.486884|3.632887|6.522684|3.138350|7.314530|13.672064|6.633532|3.894281|0.115819|3.204674|3.334652|18.217359|2.542619|3.248786|5.545997|3.806361|2.403091|2.060616|2.004740|2.254221|2.716021|1.757421|1.589989|1.999077|0.037984|1.517693|2.301434|0.049064|1.554363|1.709077|2.636434|0.145886|0.225463|0.223179|0.500000| |3.136731|6.521373|4.942351|5.631263|8.893291|17.788454|8.919705|5.635886|7.516266|3.632295|12.606690|7.522071|6.911963|8.667102|9.931577|4.805711|0.114245|4.227848|4.024974|22.158464|2.843254|4.170343|8.159380|4.372724|2.799568|2.390601|2.172178|2.380865|2.787224|1.923281|1.701818|2.167634|0.040835|1.688741|2.594206|0.056850|1.614073|1.768263|2.702932|0.075142|0.086740|0.086819|0.124496|0.500000| |4.847609|12.134164|6.299016|4.497567|3.847496|4.021598|5.165658|7.201693|16.433636|17.585145|8.394555|3.553405|3.001584|4.998111|3.543074|2.191884|0.060095|2.031204|2.126955|13.141412|1.908359|1.987889|3.617873|2.395823|1.615237|1.451347|1.389901|1.494656|1.674359|1.272124|1.174945|1.516655|0.029253|1.154684|1.706065|0.036358|1.145401|1.229485|1.820496|0.129544|0.127177|0.109877|0.108277|0.094236|0.500000| |3.685398|8.676563|4.684368|3.540805|3.215428|3.533042|4.670488|5.914064|16.900002|17.641439|8.634625|3.666005|2.571679|4.219874|3.164196|1.979739|0.053642|1.839930|1.884404|11.827070|1.688697|1.846551|3.420533|2.236529|1.534863|1.383011|1.312608|1.391553|1.546882|1.206081|1.118660|1.446500|0.027970|1.098933|1.617404|0.034381|1.093227|1.173984|1.722110|0.101525|0.093762|0.089612|0.085816|0.085909|0.299692|0.500000| |3.591826|8.466435|5.198455|4.040871|3.846077|4.469336|6.235910|7.198270|16.435801|17.579394|11.919766|4.751996|2.991081|4.807364|3.667360|2.244240|0.060027|2.109592|2.189296|13.652658|1.959345|2.051540|3.802213|2.444814|1.656090|1.491145|1.410879|1.509240|1.681118|1.295719|1.192276|1.544718|0.029755|1.182678|1.749610|0.037480|1.154719|1.237892|1.828907|0.093657|0.095834|0.087692|0.094441|0.108083|0.298388|0.299674|0.500000| |2.408559|5.124342|3.413173|3.185738|3.622311|4.909228|5.890909|4.430635|7.659001|3.954482|17.021529|17.654189|3.026160|4.566205|4.215883|2.568016|0.064646|2.445716|2.373409|14.970345|2.002800|2.480266|4.918094|2.876570|1.994727|1.787213|1.622808|1.698942|1.878985|1.489650|1.355671|1.758468|0.033667|1.359559|2.027752|0.043853|1.297639|1.399455|2.057007|0.061629|0.064499|0.064802|0.075169|0.146741|0.092637|0.100944|0.126769|0.500000| |2.595550|5.474506|3.811775|3.755458|4.596583|6.751454|7.085036|4.807846|7.498450|3.592348|16.443480|17.559302|3.819393|5.486214|5.559459|3.237313|0.079277|2.970476|2.772086|16.814718|2.176543|3.172641|6.552422|3.541902|2.435643|2.121828|1.893169|1.987760|2.245952|1.706599|1.535304|1.969988|0.037434|1.524408|2.304596|0.049990|1.467605|1.603559|2.382630|0.064947|0.069311|0.071640|0.087127|0.223059|0.087278|0.089546|0.108483|0.300009|0.500000| |2.567967|5.410133|3.761539|3.718466|4.560257|6.707129|6.974686|4.722381|7.331018|3.827867|16.427358|17.555053|3.806464|5.564924|5.371946|3.145487|0.077492|3.045873|2.998183|18.490100|2.458360|2.912896|5.715295|3.284943|2.210861|1.972641|1.796045|1.917724|2.138502|1.640649|1.475127|1.912474|0.036389|1.492375|2.247929|0.049150|1.397708|1.505679|2.245014|0.064277|0.070517|0.068983|0.086474|0.228390|0.094153|0.092839|0.124176|0.300159|0.298625|0.500000| |2.877057|5.545493|3.938027|4.923253|7.376074|7.318518|4.881959|3.927622|5.556831|2.710368|7.277044|4.300396|9.324306|10.897667|26.048595|9.179634|0.185848|6.276797|5.008451|25.227505|2.988580|7.777289|15.410437|6.818932|4.031013|3.211514|2.852024|3.200738|4.015424|2.416492|2.082891|2.594908|0.048164|2.024001|3.198814|0.070427|1.965652|2.203581|3.478324|0.068997|0.080081|0.083751|0.122051|0.246830|0.072737|0.066578|0.077179|0.097030|0.137129|0.123765|0.500000| |2.134752|3.964180|2.614523|3.081806|3.885606|3.845334|3.033973|2.598544|3.942468|2.057064|4.952165|3.038560|4.952772|7.838470|9.546815|8.858054|0.174016|17.552460|8.852621|45.922857|4.256883|7.055844|11.042938|7.363431|4.155527|3.746849|3.406361|4.057213|4.584246|2.993974|2.473110|3.153765|0.057467|2.585443|4.224832|0.099243|2.206664|2.382347|3.825083|0.052919|0.061321|0.060801|0.082193|0.125912|0.056207|0.051625|0.059696|0.073680|0.090472|0.093326|0.179668|0.500000| |2.041833|3.680426|2.365060|2.805994|3.346034|3.119776|2.543856|2.278102|3.497717|1.832366|4.112761|2.435781|4.393424|7.730190|7.629297|8.828319|0.210074|17.533078|8.890598|48.006199|4.299812|7.122712|9.457771|9.108908|4.676602|4.387418|4.333728|5.902367|6.576883|3.710044|2.955121|3.705186|0.066327|3.061520|5.199253|0.123871|2.587082|2.782919|4.683140|0.050869|0.059094|0.058857|0.078092|0.095367|0.050759|0.046362|0.052338|0.060243|0.071834|0.072704|0.134954|0.303228|0.500000| |2.433276|4.309090|2.774323|3.415524|3.990596|3.463491|2.800789|2.573048|3.880040|2.066611|4.371022|2.480286|5.512504|11.267240|7.767030|6.892029|0.208759|8.812176|17.594802|56.288529|6.439567|4.574110|6.692633|5.554192|3.123532|2.865955|2.933876|3.754612|4.336861|2.605922|2.230742|2.844845|0.052621|2.272400|3.589361|0.080775|2.042011|2.169538|3.524436|0.059720|0.073224|0.069000|0.098256|0.100492|0.058700|0.051435|0.058981|0.060795|0.070329|0.074954|0.124728|0.173392|0.208437|0.500000| |2.521258|4.648504|3.096307|3.781675|4.755364|4.373904|3.398978|2.976700|4.412970|2.357553|5.310923|3.078012|6.272631|10.782321|9.250460|6.662555|0.166450|8.837613|17.618274|56.369022|6.541130|4.488706|7.096449|5.037848|2.940590|2.667698|2.595419|3.122001|3.564223|2.331605|2.010434|2.590172|0.048192|2.076710|3.249402|0.073569|1.843043|1.962764|3.108967|0.061554|0.075238|0.070107|0.102211|0.133730|0.066162|0.057883|0.068842|0.073839|0.086176|0.096872|0.151480|0.215289|0.174122|0.302507|0.500000| |2.042039|3.614056|2.242765|2.580398|2.832813|2.612309|2.264887|2.124199|3.325985|1.844702|3.673490|2.085616|3.329381|6.480027|4.483904|3.519882|0.100459|4.313368|6.407902|55.987579|17.604600|2.815638|4.470149|3.594498|2.218145|2.146138|2.222076|2.672969|2.791453|2.104020|1.865306|2.470445|0.046607|1.984443|2.998283|0.067093|1.704029|1.746518|2.722501|0.051558|0.062104|0.056197|0.073484|0.075110|0.052944|0.046420|0.053308|0.052645|0.057320|0.063739|0.080132|0.106955|0.114599|0.193543|0.165545|0.500000| |2.084606|3.794017|2.395395|2.718289|3.064115|2.941344|2.545700|2.330066|3.636942|2.037313|4.180528|2.408468|3.469832|6.354943|4.728310|3.496903|0.094440|4.335197|6.393599|56.041958|17.607306|2.806525|4.604917|3.455916|2.158649|2.068386|2.071702|2.422203|2.556388|1.959444|1.736924|2.306763|0.043598|1.858026|2.804429|0.063118|1.588077|1.638124|2.524459|0.052516|0.062974|0.056598|0.074770|0.086427|0.058008|0.050881|0.060094|0.060543|0.065128|0.075768|0.086277|0.115685|0.108290|0.161788|0.196429|0.299144|0.500000| |1.780170|3.201802|1.982867|2.220257|2.455418|2.363408|2.083947|1.929742|3.068606|1.715157|3.475433|2.016579|2.783524|5.145252|3.888509|3.026894|0.082725|3.804090|5.087743|57.168641|17.610243|2.542461|4.143386|3.260678|2.067844|2.044311|2.089689|2.443243|2.468540|2.029704|1.806461|2.439663|0.046203|1.988356|2.968238|0.067173|1.631224|1.651137|2.532849|0.045439|0.053266|0.048808|0.061810|0.069396|0.048657|0.043526|0.050122|0.051570|0.055243|0.062239|0.072128|0.101405|0.102931|0.133844|0.135020|0.300537|0.300718|0.500000| |1.869113|3.412622|2.161558|2.440180|2.810828|2.760365|2.373151|2.138444|3.375738|1.706523|3.956911|2.372332|3.240494|5.295857|5.493446|4.771658|0.117458|4.122128|3.108659|19.019338|2.177599|7.716541|15.152239|12.548011|17.706621|8.851800|5.470130|4.919186|5.693664|4.097057|3.360060|3.896108|0.069939|2.965928|4.940014|0.104199|3.169780|3.911895|6.258124|0.047300|0.051466|0.055428|0.066446|0.083103|0.046065|0.044207|0.047798|0.059966|0.074495|0.066038|0.119812|0.116659|0.119283|0.081735|0.080540|0.059056|0.058865|0.055767|0.500000| |1.880754|3.356149|2.088125|2.370817|2.638036|2.492985|2.168842|2.014144|3.192031|1.616677|3.562930|2.073768|3.072374|5.256808|4.904494|4.332458|0.117617|3.641589|2.879089|17.560015|2.060988|6.238012|10.200788|12.420643|17.500736|8.795162|6.670359|5.731792|7.016926|4.467734|3.742956|4.111197|0.073806|2.994910|4.943929|0.099368|3.753694|5.107977|8.861398|0.047739|0.051856|0.056543|0.066367|0.072441|0.044123|0.041999|0.044763|0.052651|0.063803|0.057460|0.101401|0.096474|0.108058|0.079155|0.073737|0.057155|0.055202|0.052810|0.303726|0.500000| |1.610581|2.912585|1.819451|2.041662|2.319448|2.272751|1.976522|1.795874|2.866394|1.487281|3.333234|2.005102|2.696207|4.589933|4.434859|4.041248|0.102381|4.132765|3.159990|21.034273|2.321375|5.327268|8.795979|9.529449|8.933664|17.518651|8.785962|6.770905|5.726207|7.086420|4.952763|5.712094|0.096444|4.655080|8.861195|0.193697|4.067604|4.639561|7.530410|0.041119|0.045099|0.047038|0.056262|0.068596|0.040513|0.038634|0.042022|0.051389|0.060939|0.057267|0.091349|0.116888|0.134225|0.082523|0.078412|0.062461|0.060943|0.060619|0.218335|0.173984|0.500000| |1.541129|2.770036|1.708562|1.895351|2.104585|2.053584|1.820891|1.680692|2.711039|1.400530|3.076916|1.828319|2.390535|4.099685|3.794297|3.299365|0.087003|3.164721|2.552307|16.819629|1.948207|4.297371|7.382051|7.662615|8.850215|17.562707|8.758822|5.501548|4.897028|6.808288|5.463867|5.801812|0.100101|4.217500|7.172145|0.136599|5.006294|6.521705|9.439543|0.039622|0.042771|0.045371|0.052531|0.060751|0.038130|0.036660|0.039217|0.047277|0.055651|0.051304|0.078851|0.087749|0.097955|0.068537|0.064849|0.053176|0.051624|0.051122|0.211890|0.213952|0.303126|0.500000| |1.720332|3.049906|1.897983|2.182211|2.457622|2.306106|1.977442|1.824053|2.879866|1.510275|3.256435|1.912250|3.004275|5.427639|4.795052|4.782841|0.132207|5.321368|4.159649|27.833439|2.952955|5.232888|7.392633|9.553712|5.739445|6.776897|8.801588|17.523603|8.964005|7.108096|4.835614|5.672629|0.095422|4.752708|9.360476|0.218845|3.903030|4.148613|7.690616|0.043667|0.049185|0.050178|0.061753|0.068327|0.041833|0.038906|0.042599|0.048548|0.056648|0.055457|0.091096|0.130634|0.206868|0.114213|0.095265|0.081690|0.074160|0.076005|0.128847|0.132359|0.197867|0.138763|0.500000| |1.701056|2.961695|1.812906|2.079542|2.270435|2.089250|1.818974|1.715430|2.725613|1.429668|2.976574|1.715201|2.744908|5.129406|4.152811|3.946458|0.118376|3.982152|3.406176|22.402638|2.577199|4.206593|6.076934|7.665914|4.916279|5.517891|8.845714|17.586448|8.835440|6.882340|5.251030|5.759419|0.098641|4.347748|7.621257|0.150333|4.579766|4.896452|10.058125|0.043404|0.048663|0.050069|0.060053|0.060329|0.039878|0.036988|0.039919|0.043766|0.050506|0.049160|0.078402|0.096603|0.137173|0.099476|0.080425|0.073751|0.065068|0.066687|0.108247|0.128749|0.138899|0.123473|0.301208|0.500000| |2.052699|3.560806|2.203735|2.587599|2.837044|2.536457|2.171085|2.052978|3.210919|1.645528|3.475720|1.977254|3.527013|6.550779|5.381016|5.228714|0.166771|4.335268|3.531319|20.777190|2.441993|6.092147|8.240923|12.423706|7.005979|5.707048|6.648097|8.797067|17.513359|4.464229|3.687429|4.092788|0.073298|3.017128|5.017542|0.102135|3.620773|4.483007|9.054799|0.051644|0.058002|0.061943|0.075405|0.072188|0.045774|0.042348|0.045450|0.049770|0.059168|0.055753|0.101127|0.103480|0.134853|0.103875|0.086466|0.069929|0.063945|0.061553|0.143825|0.207844|0.131920|0.127865|0.174403|0.214592|0.500000| |2.157463|3.764370|2.368031|2.845396|3.214268|2.834974|2.361524|2.201713|3.393561|1.754102|3.746752|2.141439|4.259756|8.137692|6.686165|7.536534|0.264000|6.531289|5.096955|28.074766|3.139266|7.155094|8.781358|12.373271|5.658485|4.907808|5.488535|8.933967|17.705778|4.120817|3.316053|3.892584|0.069599|3.017452|5.090833|0.110112|3.058489|3.469736|6.411970|0.053719|0.062126|0.064083|0.082851|0.081785|0.049018|0.044669|0.048938|0.053330|0.063462|0.061655|0.117593|0.139108|0.218548|0.154763|0.116245|0.090420|0.080584|0.077049|0.127454|0.143260|0.128482|0.107900|0.220674|0.213798|0.305219|0.500000| |1.209762|2.156885|1.307704|1.431646|1.559570|1.524862|1.377391|1.286188|2.105039|1.126450|2.356871|1.396418|1.751738|3.117260|2.646815|2.251242|0.061099|2.471302|2.225979|16.954016|1.998591|2.417362|4.010661|3.746601|2.847669|3.626350|4.089032|3.705996|2.883914|5.882402|5.883721|12.196492|0.210996|17.820772|12.205712|0.211628|4.097258|3.403020|4.682891|0.031499|0.034305|0.034747|0.040013|0.044922|0.031056|0.029593|0.031903|0.036692|0.040782|0.040265|0.052871|0.068248|0.079114|0.060117|0.055555|0.054225|0.051029|0.055359|0.073252|0.072380|0.109671|0.097724|0.112637|0.101320|0.073144|0.074904|0.500000| |1.301437|2.271244|1.357131|1.492825|1.583779|1.503766|1.364973|1.305372|2.137098|1.127173|2.292529|1.322439|1.783349|3.240804|2.622788|2.229740|0.063774|2.206068|1.975911|13.627616|1.674074|2.464409|4.014447|4.071306|3.255848|3.945709|5.264808|4.214986|3.391833|6.120058|8.958506|8.556886|0.164228|4.623912|6.214709|0.104017|17.566789|8.791796|9.253013|0.033989|0.036593|0.038207|0.042623|0.043067|0.031249|0.029711|0.031316|0.034570|0.038898|0.037266|0.052062|0.058154|0.068765|0.055977|0.049883|0.047207|0.043490|0.044876|0.078404|0.093546|0.096698|0.112132|0.102003|0.127670|0.097840|0.083080|0.104553|0.500000| |1.233886|2.173159|1.300949|1.418676|1.512080|1.456537|1.329550|1.264796|2.081208|1.096399|2.254748|1.310969|1.681018|3.003734|2.494994|2.090832|0.058470|2.071422|1.837616|12.732725|1.558959|2.359358|3.953810|3.840097|3.226278|4.037444|4.788938|3.610716|2.998656|5.770218|8.899811|9.094091|0.183298|4.708876|6.086036|0.101384|17.561539|8.784275|7.673112|0.032295|0.034481|0.036132|0.040086|0.041964|0.030214|0.029001|0.030525|0.034457|0.038741|0.036822|0.050336|0.055840|0.063822|0.051170|0.046891|0.043429|0.040847|0.041938|0.080139|0.091975|0.099938|0.124689|0.090754|0.101227|0.084826|0.073003|0.107165|0.300934|0.500000| |1.422885|2.486030|1.488543|1.638976|1.737682|1.646353|1.493491|1.429852|2.336182|1.216359|2.498285|1.436697|1.949582|3.502832|2.881124|2.430977|0.069436|2.289347|2.003796|13.281447|1.629345|2.807336|4.634254|4.739748|4.089458|4.663139|5.625755|4.235726|3.792793|5.057914|5.678229|5.571742|0.104354|3.443042|5.054428|0.090041|8.856853|17.622796|12.573555|0.037065|0.039570|0.042269|0.046733|0.046947|0.033573|0.032081|0.033592|0.037443|0.042742|0.040018|0.057915|0.060495|0.069805|0.056618|0.051212|0.045860|0.042956|0.043076|0.096866|0.129237|0.104770|0.140500|0.097785|0.118217|0.116855|0.088699|0.080377|0.219946|0.204534|0.500000| 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