Version2.1 2021-01-08T03:46:13Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)OC[C@@H](O2)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCCCCCC(=O)[O-] C39660147 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)OC[C@@H](O2)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCCCCCC(=O)[O-] C01[X(C24H33N3O6)] 192 C1 561 [O-]C(=O)CCCCCNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@H]1COc2c(O1)cccc2 [O-]C(=O)CCCCCNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@H]1COc2c(O1)cccc2 [O-]C(=O)CCCCCNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@H]3COc4ccccc4O3 InChIKey=QCQKSQQXPQFNNG-FXAWDEMLSA-N InChI=1S/C24H33N3O6/c28-21(29)8-2-1-5-11-26-22(30)17-14-27(16-24(17)9-12-25-13-10-24)23(31)20-15-32-18-6-3-4-7-19(18)33-20/h3-4,6-7,17,20,25H,1-2,5,8-16H2,(H,26,30)(H,28,29)/t17-,20+/m0/s1 InChI=1/C24H33N3O6/c28-21(29)8-2-1-5-11-26-22(30)17-14-27(16-24(17)9-12-25-13-10-24)23(31)20-15-32-18-6-3-4-7-19(18)33-20/h3-4,6-7,17,20,25H,1-2,5,8-16H2,(H,26,30)(H,28,29)/t17-,20+/m0/s1/f/h25-26H c1ccc2c(c1)OC[C@@H](O2)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCCCCCC(=O)[O-] C01[X(C24H33N3O6)] 192 C01 561 [O-]C(=O)CCCCCNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@H]1COc2c(O1)cccc2 OC(=O)CCCCCNC(=O)[C@@H]1C[N]([C](=O)[C@H]2CO[C]3[C]([CH][CH][CH][CH]3)O2)CC21CCNCC2 OC(=O)CCCCCNC(=O)[C@@H]1CN(CC12CCNCC2)C(=O)[C@H]3CO[C]4[CH][CH][CH][CH][C]4O3 InChIKey=QCQKSQQXPQFNNG-FXAWDEMLSA-N InChI=1S/C24H33N3O6/c28-21(29)8-2-1-5-11-26-22(30)17-14-27(16-24(17)9-12-25-13-10-24)23(31)20-15-32-18-6-3-4-7-19(18)33-20/h3-4,6-7,17,20,25H,1-2,5,8-16H2,(H,26,30)(H,28,29)/t17-,20+/m0/s1 InChI=1/C24H33N3O6/c28-21(29)8-2-1-5-11-26-22(30)17-14-27(16-24(17)9-12-25-13-10-24)23(31)20-15-32-18-6-3-4-7-19(18)33-20/h3-4,6-7,17,20,25H,1-2,5,8-16H2,(H,26,30)(H,28,29)/t17-,20+/m0/s1/f/h26,28H 3588.0491095090 -1540.6321048 1-A 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5590.80 0.607778 0.636207 0.637152 0.546428 -1540.024327 -1539.995897 -1539.994953 -1540.085677 3.042898D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE c1ccc2c(c1)OC[C@@H](O2)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCCCCCC(=O)[O-] C39660147 RHF 6-31G(d) (6D,10F) C1 459.236936 |X|Y|Z| 121.623541 56.655060 38.333674 64.162153 21 6 7 8 17 2 2 |36.858105| |13.727109|36.858105| |7.942971|13.778823|36.858105| |6.889758|7.955327|13.766284|36.858105| |7.944503|6.870290|7.927084|13.734453|36.858105| |13.780554|7.936864|6.875103|7.947964|13.752716|36.858105| |5.251732|4.614503|5.220290|7.969260|14.052464|8.064917|73.516695| |4.038905|3.880486|4.671596|7.046866|8.165275|5.295128|24.061718|36.858105| |3.882598|4.038455|5.295549|8.154058|7.055912|4.673821|14.214014|12.544031|36.858105| |3.787724|3.886360|4.913345|7.039199|6.483500|4.537826|13.001436|8.928519|17.499512|0.500000| |4.614362|5.248622|8.061276|13.970003|7.955374|5.217354|12.120327|7.977803|13.554896|0.259164|73.516695| |3.010285|3.177833|4.014281|5.239813|4.577578|3.434791|9.054976|7.571513|12.490283|0.246693|14.211331|36.858105| |2.695645|2.772144|3.348980|4.237697|3.981550|3.098357|8.267926|7.034032|8.055105|0.175869|10.080575|15.799239|73.516695| |2.747143|2.994264|3.796977|4.556912|3.803399|2.996829|7.003994|5.077136|7.741297|0.188769|11.963299|14.192966|15.164663|53.358707| |2.858611|3.225291|4.167483|4.699679|3.736989|3.013198|6.464501|4.264932|6.416643|0.176460|11.822281|7.559766|9.383548|17.761352|36.858105| |2.341251|2.606756|3.183360|3.420314|2.876440|2.430292|5.044863|3.250361|4.334851|0.121759|7.726924|5.242031|7.526739|11.119375|12.458682|36.858105| |2.212426|2.412992|2.882187|3.137053|2.728397|2.320919|4.889650|3.135247|4.096784|0.120272|6.902083|4.909769|7.285718|9.553390|8.913693|17.512317|0.500000| |2.143579|2.359243|2.843825|3.077439|2.639331|2.238305|4.713931|3.117411|3.960345|0.104905|6.939667|5.218394|8.089088|10.915113|7.832733|12.216064|0.247103|36.858105| |2.282734|2.463358|2.991142|3.413017|2.975987|2.454318|5.519066|3.867377|4.997659|0.127194|8.027031|7.887347|12.493372|17.799916|7.855639|8.020547|0.198749|12.349322|36.858105| |1.834851|1.988043|2.319902|2.479903|2.199949|1.910866|3.971042|2.573278|3.096962|0.084139|5.321765|3.892910|6.483881|7.002630|5.008438|7.405767|0.199580|12.399837|7.471049|36.858105| |1.692183|1.818419|2.094785|2.235397|2.012868|1.763768|3.657480|2.375060|2.745509|0.072989|4.719550|3.441919|6.060038|5.734865|3.852261|4.842407|0.128753|7.496872|6.071155|12.472616|36.858105| |1.696098|1.841755|2.121019|2.222293|1.979851|1.746704|3.538469|2.276140|2.611204|0.068315|4.651825|3.190914|5.555900|5.243587|3.623508|4.364243|0.109036|6.502148|5.123351|7.807113|13.066010|53.358707| |1.595260|1.719759|1.958784|2.050339|1.849148|1.643743|3.318798|2.126569|2.384148|0.062203|4.231075|2.877399|5.130196|4.541777|3.095513|3.571174|0.091297|4.941532|4.293174|5.744297|9.398025|25.863797|0.500000| |1.573905|1.720366|1.953841|1.993067|1.774909|1.594286|3.121905|1.952095|2.231951|0.059628|4.060544|2.590223|4.407320|4.205184|3.142967|3.875264|0.097731|4.906535|3.723985|5.943011|6.853282|13.635763|0.228533|0.500000| |1.909979|2.099646|2.464171|2.584366|2.254119|1.964598|3.988165|2.596067|3.021935|0.076918|5.525496|3.746782|6.396482|6.267784|4.255191|4.820936|0.112975|7.446656|6.003629|6.574889|7.834118|17.724130|0.261247|0.188233|36.858105| |2.141466|2.397331|2.890438|3.023619|2.553589|2.194093|4.448895|2.894742|3.558815|0.091244|6.676049|4.422202|6.996081|8.210733|6.106993|7.362234|0.151980|12.333179|7.481257|7.618921|6.560005|10.523703|0.158844|0.161169|12.457417|36.858105| |2.248624|2.548132|3.053938|3.097955|2.598300|2.265549|4.424239|2.729612|3.481783|0.098657|6.575487|3.842562|5.723060|7.023265|7.551456|12.492475|0.247289|7.230270|5.006932|5.713380|4.056884|5.340457|0.090381|0.109605|4.233990|6.229094|36.858105| |2.391539|2.782623|3.363054|3.272912|2.680389|2.358100|4.440321|2.695116|3.406234|0.094657|6.812559|3.613101|5.371053|6.324721|6.710548|7.983352|0.164898|5.763990|4.317420|4.517525|3.521945|4.917554|0.084859|0.102963|4.075809|5.938873|15.840982|73.516695| |1.986680|2.210952|2.563724|2.594574|2.249676|2.000469|3.875208|2.358231|2.900730|0.083743|5.315470|3.164536|4.895357|5.456261|5.200344|7.822129|0.210698|5.550453|4.073146|5.328483|3.815248|4.880048|0.084025|0.106644|3.593701|4.729201|14.095618|15.094508|53.358707| |1.853111|2.065428|2.338549|2.305572|2.019372|1.836176|3.441546|2.049631|2.449936|0.070609|4.558501|2.589270|4.077180|4.245885|3.881663|4.982089|0.134137|3.992197|3.130183|3.944517|3.103757|4.122145|0.073117|0.095464|3.012341|3.732671|7.694791|12.012907|17.823599|36.858105| |1.645341|1.820058|2.035806|2.007172|1.778900|1.629888|3.051351|1.822853|2.130686|0.060405|3.944592|2.281180|3.679903|3.684605|3.180831|4.023149|0.107938|3.603770|2.822686|3.801989|3.138495|4.267881|0.076430|0.107626|2.997253|3.522635|5.479651|9.005371|10.392124|12.450576|36.858105| |1.656195|1.846010|2.075531|2.033212|1.786932|1.634356|3.051342|1.834718|2.137465|0.059344|4.015723|2.312090|3.745027|3.749439|3.186705|3.977912|0.101069|3.812126|2.917159|3.966024|3.402470|4.932501|0.087697|0.135667|3.484770|4.054366|5.319928|9.449324|8.359984|7.458027|12.463754|36.858105| |1.475065|1.625282|1.803811|1.775891|1.584668|1.459647|2.728044|1.640262|1.872342|0.051692|3.478075|2.033497|3.366229|3.225698|2.624223|3.179260|0.082821|3.225308|2.559509|3.517471|3.239224|4.782546|0.088051|0.142956|3.222929|3.458823|3.841231|6.737873|5.852897|4.862148|7.453979|12.447004|36.858105| |1.457575|1.608037|1.783617|1.751976|1.562225|1.440213|2.686401|1.620940|1.833541|0.049879|3.429309|2.000630|3.341731|3.146250|2.501784|2.943443|0.075195|3.126330|2.515856|3.347051|3.269687|5.164371|0.097383|0.164905|3.500356|3.562162|3.407699|6.168834|4.812354|3.739109|4.856942|7.456921|12.412551|36.858105| |1.543283|1.704326|1.915264|1.901983|1.685653|1.536418|2.912528|1.783144|2.028441|0.054486|3.787739|2.263468|3.793534|3.609490|2.816857|3.351795|0.083720|3.796309|2.973951|4.090521|4.160030|7.196374|0.132769|0.280228|4.755744|4.603674|3.735946|6.688994|5.019256|3.605147|4.326148|6.310032|7.503280|12.602094|36.858105| |1.514896|1.657622|1.868117|1.886907|1.684074|1.524928|2.946860|1.821324|2.076556|0.056013|3.796822|2.362380|3.995506|3.801294|2.911369|3.585580|0.091580|4.231507|3.254643|5.031975|5.311864|9.060992|0.162608|0.544872|5.158253|4.828954|3.836687|6.469711|5.291062|3.638465|4.350327|5.764981|6.718842|8.070174|14.422079|73.516695| |1.617076|1.796643|2.027109|2.002440|1.762678|1.604664|3.028479|1.858148|2.108146|0.055875|3.991361|2.350603|3.938706|3.727310|2.881979|3.310409|0.080905|3.810140|3.041780|3.857445|4.000776|7.318499|0.137269|0.229219|5.344138|4.988901|3.618511|6.724625|4.615653|3.260656|3.676352|5.102102|5.378548|7.953729|15.976334|15.326223|73.516695| |17.723930|8.898224|5.646716|4.961217|5.653689|8.943570|7.543268|3.359156|3.200647|0.087720|6.508779|2.578237|4.181025|3.238334|2.471364|2.078304|0.054945|1.915347|2.022343|1.665088|1.545623|2.111652|0.040749|0.040337|1.730517|1.918308|2.017945|3.807874|2.462442|1.708163|1.528599|1.536192|1.378140|1.362643|1.432756|2.495644|2.663029|0.500000| |8.893932|17.726767|8.941140|5.657923|4.951336|5.643634|6.509150|3.199357|3.358722|0.090591|7.540300|2.771141|4.344880|3.647199|2.924181|2.435060|0.062497|2.209118|2.257783|1.882338|1.727300|2.401020|0.045855|0.046493|2.001361|2.274928|2.442771|4.811042|2.911397|2.034839|1.802883|1.834855|1.617673|1.603411|1.684431|2.885864|3.161155|0.214067|0.500000| |5.631999|8.863460|17.729513|8.988662|5.659260|4.954404|7.514834|4.062720|4.847543|0.124896|13.207647|3.956601|5.803680|5.393045|4.566585|3.493971|0.085487|3.090691|3.143971|2.484942|2.226283|3.108944|0.058126|0.059045|2.686489|3.224566|3.450081|7.032484|3.851009|2.585987|2.238409|2.308004|1.979728|1.961395|2.109904|3.619117|3.997137|0.123738|0.213618|0.500000| |8.862686|5.629592|4.954629|5.669318|8.994791|17.732541|13.206628|4.847644|4.064402|0.111392|7.511140|3.097921|5.121953|3.660648|2.660221|2.196031|0.059018|2.043176|2.250299|1.772430|1.648725|2.211187|0.042725|0.041192|1.807404|1.990278|2.042917|3.737522|2.491151|1.686514|1.508225|1.507033|1.357273|1.338941|1.424619|2.524177|2.634982|0.213641|0.123695|0.107579|0.500000| |3.868032|3.763981|4.501937|6.411573|6.991363|4.889487|16.498748|17.586817|8.885507|0.174461|12.826847|6.902504|12.406538|6.503926|3.939778|3.071566|0.080808|3.058966|3.795907|2.525067|2.384947|3.163906|0.060840|0.054793|2.692122|2.936530|2.602640|4.623248|3.051493|1.960242|1.766809|1.803357|1.624224|1.624672|1.800394|3.254638|3.370160|0.090268|0.087254|0.110589|0.124568|0.500000| |3.408525|3.231622|3.732644|5.119950|5.929329|4.363811|16.866773|17.692644|8.823276|0.213366|10.173534|6.856884|12.882934|6.357821|3.848116|3.064624|0.084440|2.973037|3.743316|2.520839|2.342515|3.002466|0.057581|0.052337|2.464058|2.700159|2.555142|4.400740|3.065256|1.956144|1.749920|1.748653|1.575688|1.551832|1.704055|3.124872|3.131633|0.081560|0.076108|0.092630|0.117654|0.300715|0.500000| |3.047413|3.403590|4.368014|5.006385|4.035018|3.239816|6.966163|4.435040|6.817446|0.216167|12.015715|6.833895|8.622096|12.269557|17.593299|8.750972|0.222690|5.660522|5.879585|4.156544|3.268662|4.140864|0.073803|0.075585|3.433877|4.557201|6.454476|10.292493|6.655203|3.767627|3.015396|2.918495|2.415072|2.271028|2.490032|4.562789|4.478536|0.072848|0.084794|0.128686|0.079287|0.108401|0.111794|0.500000| |3.083035|3.619260|4.867250|5.203997|3.896997|3.162888|6.417891|4.115818|5.968304|0.155179|13.072007|6.369866|8.254595|12.273300|17.684613|8.810802|0.175159|6.594297|6.213330|4.372004|3.536884|4.790167|0.084119|0.086759|4.300819|6.290393|7.216361|13.706745|6.573143|3.810871|3.152360|3.256320|2.660241|2.577561|2.903428|5.170019|5.406418|0.073416|0.091723|0.158481|0.076092|0.108991|0.099731|0.302509|0.500000| |2.224256|2.387428|2.873922|3.272973|2.887976|2.394587|5.384553|3.816204|4.634989|0.113059|7.564234|7.201316|13.081199|12.420391|5.886102|5.727840|0.142157|8.620788|17.657438|6.200785|6.048747|7.390829|0.130975|0.102672|6.779998|7.161359|4.101119|6.636300|4.649717|2.744269|2.544006|2.687066|2.416204|2.438281|2.923236|5.648091|5.434663|0.054923|0.060875|0.083450|0.061283|0.108891|0.102564|0.128811|0.145058|0.500000| |2.129547|2.256549|2.680413|3.069591|2.770961|2.309349|5.262952|3.663382|4.550148|0.121335|6.954171|6.857161|11.978723|12.378047|6.226385|6.704939|0.196231|8.716904|17.529999|7.247757|5.943018|6.249480|0.110146|0.095189|4.846310|5.513614|4.402406|6.606128|5.222217|2.970142|2.692840|2.711610|2.416374|2.343520|2.721081|5.393225|4.841778|0.052844|0.057510|0.076825|0.059692|0.097817|0.102870|0.145766|0.135642|0.303679|0.500000| |1.796929|1.924234|2.229003|2.410382|2.172887|1.887723|3.977853|2.577229|3.086023|0.085774|5.138909|3.869863|6.531300|6.760958|4.751756|6.783545|0.216168|8.789773|6.961948|17.520009|8.866394|7.676906|0.127700|0.127698|4.899951|5.513912|5.109144|7.092295|6.877965|3.751614|3.544307|3.496940|3.131815|2.915023|3.395984|7.281907|5.661627|0.045388|0.050388|0.065349|0.048981|0.069181|0.071416|0.115228|0.110923|0.155268|0.222045|0.500000| |1.762014|1.920798|2.222837|2.326346|2.059008|1.812108|3.665478|2.324460|2.777459|0.076315|4.889508|3.329810|5.482304|5.831487|4.512327|6.814896|0.181486|8.834259|5.477080|17.545904|8.937759|9.672461|0.147611|0.194573|5.809216|6.862100|6.283777|8.682098|8.696167|4.707436|4.738266|4.991885|4.347360|3.974682|4.841877|11.070470|7.671529|0.044658|0.051065|0.066763|0.046654|0.063254|0.062864|0.106809|0.113612|0.131059|0.145475|0.301993|0.500000| |1.717001|1.827825|2.105909|2.285111|2.079536|1.810083|3.838185|2.534590|2.893026|0.076070|4.854245|3.735083|6.857056|6.034803|3.788275|4.462422|0.120809|6.737844|6.701661|8.817343|17.452786|12.228891|0.220098|0.140435|6.976648|5.741970|3.598019|5.634549|4.535567|2.734081|2.705741|2.879625|2.736842|2.772686|3.421010|7.318684|6.024480|0.043488|0.047857|0.061401|0.047210|0.071144|0.070259|0.089901|0.095508|0.201255|0.192219|0.214426|0.174121|0.500000| |1.550449|1.656053|1.882082|1.994737|1.817927|1.611627|3.306995|2.117301|2.406626|0.064843|4.128771|2.928147|5.196914|4.717574|3.249247|4.038478|0.111660|5.481931|4.636646|8.856696|17.569910|12.497900|0.225688|0.185294|5.678259|4.906371|3.560694|5.518914|4.800440|2.960293|3.084537|3.298113|3.266831|3.266402|4.051784|9.627833|6.655037|0.039626|0.043928|0.055279|0.042124|0.058812|0.058490|0.079195|0.083309|0.127016|0.132437|0.213674|0.217437|0.302274|0.500000| |1.954278|2.126272|2.498047|2.674012|2.355399|2.035484|4.228571|2.809014|3.218169|0.080203|5.768550|4.116900|7.317128|6.617632|4.148510|4.395709|0.105810|6.593094|6.488249|5.667966|6.949143|12.268932|0.222974|0.139924|17.474001|8.791542|3.698496|6.325647|4.293083|2.655655|2.600649|2.925749|2.725064|2.921185|3.759246|7.195546|7.408469|0.049052|0.055751|0.074444|0.052200|0.082347|0.074369|0.093754|0.114968|0.236999|0.144514|0.126511|0.132246|0.204353|0.142630|0.500000| |1.863999|2.060902|2.395507|2.459487|2.144560|1.894015|3.745653|2.395960|2.739649|0.069711|5.133879|3.256246|5.554708|5.239189|3.688479|4.039431|0.095360|5.478551|4.587374|4.952218|5.691916|12.521894|0.225320|0.184114|17.610490|8.904003|3.797059|6.822780|4.440138|2.847339|2.886102|3.459518|3.264868|3.723140|5.204946|9.246301|11.502439|0.047162|0.055160|0.073121|0.048372|0.069620|0.062719|0.084751|0.107667|0.141497|0.106302|0.108339|0.131255|0.142534|0.127957|0.301844|0.500000| |2.054416|2.318426|2.759716|2.801946|2.368823|2.071744|4.069374|2.576882|3.131080|0.082196|5.982153|3.677277|5.813290|6.548562|5.360383|6.822795|0.142644|8.793725|5.487182|6.781849|5.689919|9.420536|0.145100|0.184353|8.938016|17.604170|7.089774|12.645397|7.351356|4.352452|4.201341|5.163459|4.209001|4.340114|5.753943|10.221078|11.034322|0.051495|0.062066|0.086739|0.052209|0.072011|0.066806|0.116761|0.158598|0.142277|0.122965|0.138937|0.199728|0.131703|0.127423|0.174315|0.222013|0.500000| |2.394634|2.723944|3.370288|3.517235|2.882633|2.445926|4.938214|3.230347|4.034035|0.100132|7.963604|4.937264|7.554983|9.023006|6.725485|6.679221|0.137222|8.747966|7.014649|5.518674|4.921964|7.652073|0.127794|0.124647|8.897861|17.567297|5.721092|10.621329|5.739151|3.429896|3.158386|3.582805|3.050305|3.158222|3.912412|6.943330|7.775945|0.058929|0.071341|0.106439|0.060828|0.092327|0.081500|0.135888|0.216066|0.194602|0.140304|0.123109|0.139706|0.129126|0.108089|0.216844|0.213057|0.304907|0.500000| |1.892726|2.074252|2.389064|2.463595|2.173168|1.928662|3.808168|2.333778|2.850449|0.083054|5.059473|3.162510|4.965140|5.422605|4.902790|7.521543|0.239710|5.572740|4.185007|5.851217|4.040092|4.899320|0.084640|0.104565|3.482755|4.411028|9.416446|10.883088|26.085428|9.029466|6.529482|5.181705|3.962125|3.271572|3.436837|6.713789|5.559941|0.047992|0.055364|0.071859|0.049433|0.061320|0.062843|0.130248|0.120286|0.096173|0.114457|0.165899|0.194544|0.098104|0.105688|0.086189|0.086172|0.132995|0.107422|0.500000| |1.797584|1.982664|2.216628|2.193665|1.948877|1.784787|3.336557|1.968551|2.331888|0.068269|4.280274|2.430589|3.850178|3.900889|3.508874|4.324663|0.123198|3.466247|2.844899|3.471593|2.776262|3.615891|0.065168|0.081804|2.623830|3.164751|5.934013|9.266868|12.549170|17.552491|8.844306|5.474288|4.050104|3.172461|3.033722|5.510000|4.910494|0.046269|0.054242|0.067079|0.045814|0.051876|0.052589|0.098313|0.093958|0.069373|0.076722|0.095431|0.111406|0.069193|0.074604|0.065634|0.068759|0.098470|0.081931|0.222523|0.500000| |1.971066|2.230084|2.527486|2.437310|2.108382|1.926983|3.535135|2.084521|2.495987|0.071620|4.765810|2.584067|4.031193|4.201029|3.921778|4.717653|0.121259|3.761614|3.005374|3.529156|2.852158|3.890496|0.069482|0.089063|2.938275|3.678095|7.493997|14.061686|12.640627|17.645336|8.811390|6.890571|4.491957|3.627277|3.484525|5.990959|5.786437|0.050424|0.061635|0.078958|0.048796|0.055503|0.054630|0.106191|0.111787|0.074009|0.077732|0.091875|0.112872|0.070754|0.074560|0.072233|0.078567|0.120150|0.097243|0.180846|0.302710|0.500000| |1.562012|1.709318|1.908083|1.907965|1.708524|1.561723|2.965753|1.782523|2.072483|0.058887|3.766421|2.247444|3.667350|3.622949|3.047746|3.923222|0.109373|3.614894|2.843006|4.056001|3.339605|4.400821|0.078984|0.111493|2.977219|3.411806|4.949962|7.693462|9.566554|8.877344|17.497779|8.840818|7.010135|4.602139|4.200570|8.048298|6.207894|0.040353|0.046728|0.057581|0.040385|0.047940|0.047993|0.080332|0.081813|0.071029|0.076939|0.107451|0.144078|0.079185|0.093730|0.072098|0.078380|0.109894|0.083393|0.192231|0.211221|0.173680|0.500000| |1.563719|1.724739|1.902627|1.859729|1.661442|1.539421|2.840987|1.678731|1.937576|0.055085|3.594789|2.042160|3.314186|3.228421|2.756111|3.325087|0.090117|2.996687|2.439286|3.126602|2.671462|3.652770|0.066843|0.090920|2.581900|2.960608|4.332794|7.451342|7.622315|8.912299|17.508651|8.821601|6.638741|4.426275|3.751693|6.535427|5.762958|0.040647|0.047828|0.057856|0.039709|0.045208|0.044818|0.073901|0.076525|0.061828|0.065061|0.082353|0.103890|0.065211|0.073601|0.063249|0.070046|0.095859|0.075516|0.138425|0.220422|0.209153|0.303668|0.500000| |1.710774|1.925878|2.157629|2.076138|1.813045|1.669215|3.059145|1.822651|2.118188|0.058629|4.053047|2.251356|3.626375|3.610872|3.102399|3.694627|0.092297|3.479531|2.733957|3.438124|3.002665|4.426883|0.079830|0.115992|3.264481|3.820401|4.993575|9.759891|7.281905|6.697066|8.852120|17.522447|8.822373|6.741332|5.610664|8.445912|8.799147|0.044151|0.053714|0.067401|0.042573|0.049893|0.047871|0.079424|0.090708|0.070585|0.069836|0.084752|0.114051|0.072304|0.079736|0.077034|0.092247|0.134750|0.097767|0.122459|0.140111|0.201340|0.173659|0.215316|0.500000| |1.751636|1.958227|2.235701|2.211626|1.925629|1.739907|3.297662|2.008945|2.370387|0.065246|4.454872|2.616725|4.212667|4.354039|3.715829|4.852473|0.118527|4.799485|3.460005|4.955209|4.115458|6.076220|0.103838|0.169714|4.318378|5.252110|6.576661|11.345375|9.597529|7.059394|8.921574|17.586021|8.882947|6.975415|7.320518|12.358724|10.649218|0.044790|0.053602|0.069391|0.044392|0.054998|0.053029|0.091482|0.105369|0.087843|0.087576|0.115388|0.180740|0.094223|0.107501|0.097222|0.117060|0.200630|0.123141|0.162351|0.141942|0.180288|0.207787|0.174313|0.305043|0.500000| |1.423469|1.555502|1.726122|1.719688|1.545820|1.419802|2.686481|1.623356|1.848906|0.051210|3.383438|2.028259|3.385009|3.217964|2.578526|3.174308|0.084688|3.273885|2.601923|3.762868|3.488681|4.995088|0.092192|0.151899|3.217544|3.386914|3.702862|6.214662|5.798206|4.614964|6.955276|8.857194|17.565676|8.875365|6.758873|12.993545|8.540151|0.036941|0.042737|0.052136|0.036832|0.044551|0.043655|0.066056|0.071120|0.068027|0.069379|0.094205|0.132108|0.080787|0.101061|0.075985|0.088434|0.111193|0.081535|0.114442|0.110173|0.112852|0.215883|0.167567|0.173545|0.209600|0.500000| |1.404119|1.543174|1.694333|1.657517|1.488333|1.382908|2.556087|1.522731|1.723880|0.047818|3.205013|1.846536|3.063709|2.885589|2.346772|2.771144|0.073129|2.754434|2.252430|2.956908|2.741508|3.986777|0.074857|0.111296|2.730375|2.916310|3.328448|5.921662|5.099804|4.435984|6.701714|8.821874|17.524133|8.884227|5.507572|8.785956|7.697111|0.036650|0.042919|0.051463|0.035822|0.041817|0.040682|0.061003|0.066240|0.059235|0.059531|0.075024|0.098184|0.065891|0.077170|0.065651|0.077157|0.095816|0.073307|0.096463|0.107197|0.116314|0.171883|0.193877|0.213165|0.173856|0.303411|0.500000| |1.348642|1.475901|1.623713|1.601038|1.442172|1.335629|2.493025|1.501727|1.679559|0.045716|3.115040|1.830645|3.092724|2.839494|2.219400|2.576659|0.066982|2.757205|2.279413|3.003101|3.025188|4.723993|0.092126|0.146681|3.129937|3.078189|2.893861|5.170394|4.113432|3.177700|4.050436|5.466681|8.826433|17.527084|9.015028|12.485210|11.308683|0.035181|0.040877|0.049138|0.034685|0.041885|0.040163|0.056453|0.062984|0.061929|0.059757|0.074016|0.097048|0.072105|0.086109|0.074165|0.092324|0.099872|0.076411|0.079650|0.077384|0.084933|0.111167|0.106101|0.138508|0.142452|0.217211|0.213270|0.500000| 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