Version2.1 2020-12-14T08:50:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCn1c2c(c(nc1=O)SCC(=O)Nc3cccc4c3cccc4)CCCC2 C09747179 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCn1c2c(c(nc1=O)SCC(=O)Nc3cccc4c3cccc4)CCCC2 C01[X(C26H33N4O2S1)] 192 C1 565 CC[NH+](CCn1c(=O)nc(c2c1CCCC2)SCC(=O)Nc1cccc2c1cccc2)CC CC[NH+](CCn1c(=O)nc(c2c1CCCC2)SCC(=O)Nc1cccc2c1cccc2)CC CC[NH+](CC)CCN1C(=O)N=C(SCC(=O)Nc2cccc3ccccc23)C4=C1CCCC4 InChIKey=RASPBBBCFOURIQ-UHFFFAOYSA-O InChI=1S/C26H32N4O2S/c1-3-29(4-2)16-17-30-23-15-8-7-13-21(23)25(28-26(30)32)33-18-24(31)27-22-14-9-11-19-10-5-6-12-20(19)22/h5-6,9-12,14H,3-4,7-8,13,15-18H2,1-2H3,(H,27,31)/p+1 InChI=1/C26H32N4O2S/c1-3-29(4-2)16-17-30-23-15-8-7-13-21(23)25(28-26(30)32)33-18-24(31)27-22-14-9-11-19-10-5-6-12-20(19)22/h5-6,9-12,14H,3-4,7-8,13,15-18H2,1-2H3,(H,27,31)/p+1/fC26H33N4O2S/h27,29H/q+1 CC[NH+](CC)CCn1c2c(c(nc1=O)SCC(=O)Nc3cccc4c3cccc4)CCCC2 C01[X(C26H33N4O2S1)] 192 C01 565 CC[NH+](CCn1c(=O)nc(c2c1CCCC2)SCC(=O)Nc1cccc2c1cccc2)CC CC[NH](CCN1[C]([O])[N][C]([C]2=C1CCCC2)SCC(=O)N[C]1=[CH][CH]=[CH][C]2[C]1[CH]=[CH][CH]=[CH]2)CC CC[NH](CC)CCN1[C]([O])[N][C](SCC(=O)NC2=CC=C[C]3C=CC=C[C]23)C4=C1CCCC4 InChIKey=HKDLDFGFESGTLH-UHFFFAOYSA-N InChI=1S/C26H33N4O2S/c1-3-29(4-2)16-17-30-23-15-8-7-13-21(23)25(28-26(30)32)33-18-24(31)27-22-14-9-11-19-10-5-6-12-20(19)22/h5-6,9-12,14,29H,3-4,7-8,13,15-18H2,1-2H3,(H,27,31) InChI=1/C26H33N4O2S/c1-3-29(4-2)16-17-30-23-15-8-7-13-21(23)25(28-26(30)32)33-18-24(31)27-22-14-9-11-19-10-5-6-12-20(19)22/h5-6,9-12,14,29H,3-4,7-8,13,15-18H2,1-2H3,(H,27,31)/f/h27H 3420.2791218603 -1768.6914579 1-A 25960.2881 124 441 565 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.05268 -20.64467 -20.60454 -15.81322 -15.75340 -15.66543 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4885.31 4904.79 4914.95 5561.51 0.604831 0.634327 0.635272 0.539292 -1768.086627 -1768.057130 -1768.056186 -1768.152166 3.219185D-04 MUNgauss RevisionA2.0 retrievium 14-Dec-2020 DUDE CC[NH+](CC)CCn1c2c(c(nc1=O)SCC(=O)Nc3cccc4c3cccc4)CCCC2 C09747179 RHF 6-31G(d) (6D,10F) C1 465.232423 |X|Y|Z| 71.259638 29.139917 141.537702 66.486686 24 6 7 16 20 3 1 |36.858105| |12.516270|36.858105| |7.578154|12.670023|53.358707| |7.457088|9.298672|25.355482|0.500000| |5.986085|7.639856|17.267516|0.255185|36.858105| |4.437858|5.000369|10.313013|0.205979|12.515355|36.858105| |5.015710|7.667895|17.298179|0.262498|7.650499|5.996103|36.858105| |4.404018|5.902588|10.206837|0.210883|4.989132|4.458806|12.403254|36.858105| |3.709001|4.434290|7.839195|0.182671|4.367411|4.418978|7.539736|13.005432|53.358707| |2.926519|3.410679|5.715948|0.125597|3.508570|3.672501|5.419502|7.584130|18.663287|36.858105| |2.582483|2.876628|4.726290|0.105881|3.051703|3.334557|4.089426|5.104926|10.955931|14.113229|36.858105| |2.706304|2.899661|4.756617|0.111650|3.088879|3.459351|3.810111|4.609652|9.696495|8.033964|13.191465|36.858105| |3.227501|3.396189|5.665841|0.141611|3.565788|3.984204|4.300923|5.211634|11.010159|6.903641|7.889526|14.716910|53.358707| |3.993121|4.403434|7.762958|0.206820|4.433413|4.707022|6.004413|7.895909|18.728647|7.891421|6.883079|8.332911|19.290096|36.858105| |5.208361|5.489474|9.695093|0.308004|5.181957|5.221078|6.264148|7.277372|11.567433|5.427321|4.778795|5.587773|11.537656|15.587487|73.516695| |2.234196|2.322689|3.666178|0.084024|2.485929|2.797958|2.837422|3.241373|5.866156|4.810698|6.981491|10.903802|9.847600|4.889459|6.942636|388.023441| |2.331201|2.330156|3.616990|0.084682|2.471077|2.784845|2.652714|2.957284|5.088889|3.736960|4.628785|6.943653|9.274682|4.633622|7.177962|74.744964|36.858105| |1.986637|1.970993|2.994689|0.068439|2.087449|2.332629|2.192289|2.395249|3.936824|2.944359|3.552321|4.640293|6.009920|3.380480|5.448502|50.041235|12.496497|36.858105| |1.806729|1.814133|2.751978|0.061931|1.929593|2.150634|2.047497|2.232193|3.648030|2.816526|3.446222|4.256275|5.203387|3.010762|4.800213|48.257753|8.003605|15.939029|73.516695| |1.950121|1.895629|2.834006|0.064738|1.988399|2.202805|2.031593|2.190461|3.494850|2.541241|2.932722|3.702455|5.108149|3.018009|5.076093|34.231080|7.926841|14.072253|14.955313|53.358707| |1.719528|1.667712|2.461255|0.055370|1.745150|1.916827|1.765422|1.882498|2.934865|2.148659|2.438403|2.929030|3.992258|2.462731|4.194286|26.161155|5.040140|7.707571|11.759020|18.216311|36.858105| |1.573648|1.538001|2.253758|0.050242|1.590757|1.728140|1.636411|1.756463|2.723288|2.024400|2.299594|2.690470|3.579202|2.234834|3.773716|24.181694|4.244668|6.234701|11.159052|10.722074|14.023135|36.858105| |1.422254|1.387445|2.016444|0.044537|1.433781|1.548569|1.461918|1.554568|2.371966|1.762106|1.970759|2.246625|2.998798|1.919802|3.274532|19.443536|3.239064|4.303048|7.887035|6.976617|7.918701|13.477143|36.858105| |1.391639|1.348336|1.954305|0.043071|1.402357|1.517037|1.404100|1.476090|2.231980|1.642368|1.815774|2.062742|2.793774|1.810478|3.127459|17.381072|2.911604|3.708051|6.568022|6.157938|6.833218|7.925179|14.047202|36.858105| |1.491914|1.434833|2.087371|0.046230|1.507087|1.642902|1.483847|1.548555|2.343489|1.705173|1.879374|2.162303|2.977091|1.925843|3.357619|18.036685|3.130959|3.948337|6.654075|6.952107|7.818682|6.822269|7.904940|13.422646|36.858105| |1.668247|1.602370|2.353401|0.052688|1.692872|1.863248|1.666958|1.746823|2.679108|1.938856|2.157665|2.548234|3.539970|2.242802|3.899093|21.621749|4.005676|5.275687|8.298167|10.583413|13.339331|7.861997|6.791373|7.788846|13.503774|36.858105| |1.794078|1.706111|2.516053|0.056581|1.830482|2.035491|1.754514|1.813812|2.769831|1.972648|2.171129|2.579295|3.675915|2.349438|4.155285|21.117650|3.966375|4.751145|7.210087|8.978961|7.596847|5.095467|4.508370|5.100913|7.827433|13.401123|36.858105| |1.691425|1.599257|2.338302|0.052068|1.721966|1.905216|1.620292|1.653449|2.482623|1.762065|1.909493|2.217001|3.166453|2.078941|3.723568|17.608460|3.126916|3.559142|5.647767|6.106893|5.091449|3.934014|3.784270|4.521874|6.818556|7.873573|14.017325|36.858105| |1.508449|1.432443|2.076232|0.045798|1.526874|1.670404|1.450161|1.482007|2.207771|1.580440|1.707499|1.947518|2.743177|1.818458|3.242842|15.491431|2.652019|3.051568|5.030739|5.086823|4.497983|3.779237|3.945934|5.127054|7.877981|6.784200|7.911044|13.472177|36.858105| |1.431972|1.369649|1.982472|0.043666|1.445433|1.572935|1.399288|1.443659|2.158691|1.560680|1.697874|1.930350|2.681450|1.765939|3.115076|15.642747|2.655750|3.163103|5.332624|5.302722|5.098999|4.522691|5.134589|7.699820|13.416917|7.804888|6.851939|7.941550|14.031556|36.858105| |2.150489|2.372295|3.779028|0.082071|2.534075|2.763232|3.226451|3.786022|6.848763|7.557755|12.550219|7.389889|6.854755|4.448956|6.158421|44.609120|3.992343|3.332298|6.094289|3.708114|2.329743|2.250569|1.947568|1.780962|1.815899|2.054333|2.031664|1.795784|1.628830|1.637028|36.858105| |2.054759|2.313434|3.661968|0.076914|2.480985|2.655743|3.231063|3.686917|6.131764|6.661036|7.551296|4.930434|5.273644|3.744575|5.417119|29.854043|3.049401|2.639695|4.821451|3.053133|1.968793|1.911983|1.691311|1.564530|1.592493|1.773113|1.764434|1.588260|1.453580|1.455926|12.489946|36.858105| |2.183163|2.509520|3.908863|0.080903|2.563591|2.634841|3.588499|4.303334|6.786718|7.489784|6.669758|4.441571|5.072910|3.846406|5.615792|25.446495|2.762626|2.375869|4.249056|2.811453|1.817848|1.766554|1.570874|1.458230|1.484384|1.646044|1.643086|1.487713|1.364489|1.363874|7.647644|12.524133|36.858105| |2.640050|3.143140|5.049331|0.104054|3.168711|3.194540|5.009086|6.537687|10.395879|12.576687|7.594577|5.014739|6.069821|5.036309|7.153092|25.899821|2.914956|2.428151|4.221666|2.903643|1.854024|1.773356|1.570344|1.468333|1.511598|1.689722|1.710054|1.549037|1.407758|1.394434|6.388080|7.563821|12.442657|36.858105| |17.593761|8.725995|9.152331|0.182311|6.422431|4.781294|4.451126|3.782903|4.524312|2.689460|2.419778|2.553246|4.112887|3.619595|8.205737|15.264420|2.260875|1.944965|3.144822|2.616549|1.704100|1.550916|1.407450|1.387173|1.496597|1.671711|1.817081|1.728769|1.537064|1.447353|2.039551|1.950386|2.038535|2.428600|0.500000| |17.581142|8.816487|9.378626|0.221418|5.264416|4.294674|4.797661|4.566402|5.462949|3.105111|2.770545|2.983299|4.999941|4.576001|11.346924|17.395788|2.605658|2.189457|3.494958|2.936767|1.880934|1.710884|1.534292|1.497046|1.609698|1.815425|1.955304|1.826539|1.617556|1.536049|2.271386|2.126898|2.248312|2.717576|0.300396|0.500000| |17.585401|8.941035|7.551769|0.148632|4.620453|3.573930|4.171974|3.809632|4.367100|2.609086|2.316251|2.404782|3.819268|3.374962|7.442344|14.385885|2.107406|1.823825|2.965716|2.450941|1.604768|1.479871|1.346425|1.318679|1.406889|1.559833|1.666967|1.580587|1.422222|1.354415|1.963185|1.889229|2.021122|2.407562|0.303018|0.301619|0.500000| |8.750324|17.602842|12.383885|0.181884|7.367597|4.669039|6.649304|4.903761|5.121339|3.043500|2.587482|2.564077|3.965972|3.631831|7.582767|14.909861|2.085096|1.792512|2.961665|2.349383|1.535198|1.422724|1.293010|1.260497|1.338268|1.483054|1.577086|1.490269|1.343379|1.284276|2.188915|2.176364|2.361102|2.909642|0.208487|0.172264|0.211092|0.500000| |8.892927|17.646530|12.380443|0.213560|5.636822|4.146213|7.601248|6.822869|6.449573|3.614774|2.982828|2.959386|4.675160|4.507053|9.656118|16.706590|2.327960|1.966123|3.227632|2.560778|1.654277|1.537324|1.384827|1.337538|1.413522|1.575641|1.659951|1.547991|1.393388|1.342139|2.450359|2.396652|2.664766|3.382019|0.172872|0.212279|0.216811|0.302574|0.500000| |6.957105|7.568479|12.405597|0.209368|17.665912|8.886781|5.645528|4.131276|4.991175|2.997509|2.670569|2.754064|4.344953|3.847955|8.219169|16.213037|2.323846|1.988548|3.253560|2.619749|1.701584|1.547137|1.401785|1.379939|1.489052|1.666963|1.815124|1.723708|1.528566|1.438497|2.251528|2.189431|2.255881|2.720488|0.240053|0.159864|0.146287|0.209673|0.148481|0.500000| |4.967502|6.639258|12.390848|0.181179|17.602974|8.758058|7.366969|4.652263|5.392375|3.319086|2.861150|2.805119|4.251044|3.799730|7.467874|16.256873|2.227969|1.909695|3.178813|2.467634|1.607344|1.478665|1.341024|1.310848|1.399872|1.558995|1.672444|1.580682|1.414903|1.345230|2.433876|2.449257|2.555088|3.141877|0.144446|0.119226|0.114325|0.205191|0.144366|0.302864|0.500000| |3.840149|4.160849|7.551757|0.147689|8.937926|17.587413|4.625166|3.586365|4.838797|3.096083|2.880511|2.976920|4.530963|3.743964|7.230568|17.869340|2.517723|2.163793|3.574672|2.807279|1.820792|1.642989|1.485538|1.466238|1.591805|1.791735|1.968184|1.867322|1.642932|1.538430|2.473875|2.403253|2.359267|2.773063|0.118811|0.101615|0.088897|0.113257|0.096945|0.216574|0.211223|0.500000| |3.804133|4.442204|9.146914|0.183068|8.722390|17.585245|6.432753|4.824444|6.795348|4.270295|3.844766|3.862665|5.851887|5.049297|9.126467|21.691813|2.913062|2.421584|4.013365|3.049325|1.941956|1.760939|1.572022|1.529173|1.645494|1.867316|2.017340|1.872241|1.647685|1.564068|3.165015|3.071932|3.007668|3.692278|0.108700|0.104035|0.087621|0.115700|0.108091|0.172791|0.208588|0.302975|0.500000| |4.584577|4.775527|9.367799|0.219084|8.805968|17.580818|5.273682|4.318952|6.127478|3.675342|3.436985|3.757283|6.169698|5.253494|10.871966|21.654252|3.147880|2.592343|4.169792|3.355735|2.116351|1.881771|1.673222|1.641818|1.794664|2.060658|2.280201|2.119107|1.831719|1.714042|2.801596|2.607679|2.561848|3.076812|0.137930|0.130347|0.101154|0.118015|0.111657|0.211743|0.172239|0.301659|0.300839|0.500000| |4.141345|5.651538|12.329849|0.210340|7.590236|6.920424|17.659889|8.838355|9.853982|5.728254|4.381160|3.985491|5.916961|5.753818|9.924991|21.090138|2.712657|2.244586|3.756164|2.802596|1.789303|1.656180|1.479016|1.421088|1.503315|1.690653|1.781952|1.644837|1.470137|1.417524|3.486199|3.548323|3.818557|5.303637|0.107935|0.111277|0.096989|0.145474|0.148879|0.148786|0.212740|0.146191|0.238001|0.158299|0.500000| |4.720362|7.500454|12.421170|0.184654|6.552030|4.910771|17.607713|8.814696|7.616028|4.482625|3.469567|3.188231|4.747302|4.547332|8.418841|17.584841|2.313802|1.955065|3.275646|2.483391|1.606587|1.500944|1.352407|1.301510|1.369203|1.523637|1.597123|1.486672|1.341801|1.297121|2.870765|2.963079|3.360815|4.543276|0.116262|0.119541|0.114611|0.207141|0.216444|0.143392|0.200370|0.112977|0.142470|0.118481|0.302708|0.500000| |3.707670|4.874545|7.657238|0.149930|4.149635|3.732842|9.006290|17.745533|12.478170|7.341149|4.846810|4.107240|5.887629|5.788097|9.265065|21.325958|2.672008|2.212627|3.725273|2.746694|1.754971|1.657228|1.475772|1.397395|1.454043|1.625778|1.672450|1.530079|1.384028|1.355932|3.799012|3.898792|4.899496|7.896323|0.089747|0.104289|0.092961|0.120568|0.159581|0.097548|0.113593|0.086845|0.113391|0.098643|0.202694|0.230283|0.500000| |5.038991|6.572328|9.755770|0.212819|4.623122|4.017228|8.772475|17.647577|12.533391|5.876231|4.386305|4.221327|6.761136|7.413744|13.867377|21.829358|2.910508|2.365081|3.877848|2.988477|1.887914|1.760822|1.559153|1.481652|1.555134|1.753478|1.820838|1.660997|1.489352|1.450544|3.334576|3.175574|3.661215|5.079601|0.114027|0.150626|0.122266|0.142562|0.235812|0.112338|0.116973|0.091298|0.114325|0.111916|0.174599|0.199101|0.305596|0.500000| |2.465149|2.436372|3.717943|0.087974|2.480858|2.723234|2.705580|3.084300|5.261187|3.740559|4.449485|6.558535|9.672355|4.913959|7.752744|56.360276|17.624275|8.814992|10.905868|9.707457|4.702827|4.045459|3.118435|2.801656|2.991770|3.770272|3.723016|2.977005|2.545660|2.552179|3.725252|2.896665|2.719081|2.913149|0.065566|0.077854|0.062146|0.059911|0.068358|0.065260|0.061842|0.067810|0.077984|0.085684|0.075103|0.065606|0.076968|0.086591|0.500000| |2.498499|2.478568|3.913420|0.092750|2.719991|3.153814|2.805646|3.041343|5.202713|3.690018|4.417116|6.534650|9.703786|4.911574|7.835590|56.354576|17.622300|8.837062|11.053904|9.554758|4.675719|3.794027|2.998011|2.791966|3.095505|3.997430|4.235527|3.354253|2.763747|2.690239|3.720571|2.930459|2.660255|2.867930|0.068187|0.077718|0.061926|0.061443|0.067599|0.071147|0.067169|0.079080|0.090948|0.101810|0.080393|0.067270|0.075014|0.082666|0.303057|0.500000| |2.110961|2.023180|3.013736|0.069579|2.105496|2.325082|2.126375|2.289298|3.632658|2.575462|2.915023|3.721615|5.400796|3.212946|5.529447|32.006767|7.716030|9.440359|10.860201|26.056959|9.200759|5.999394|4.341177|4.030995|4.697246|7.018427|6.867177|4.679318|3.759460|3.768768|2.633526|2.185734|2.042634|2.146474|0.057851|0.065627|0.053978|0.050807|0.055597|0.057008|0.052815|0.060186|0.064857|0.073289|0.059366|0.052826|0.057962|0.064430|0.214996|0.206705|0.500000| |1.584217|1.560407|2.288850|0.051015|1.601185|1.732119|1.679410|1.824217|2.849530|2.143759|2.462670|2.875967|3.750162|2.321889|3.866214|26.549547|4.501964|6.653838|12.793213|9.834772|9.035414|17.767847|8.833667|5.657527|4.929570|5.609547|4.130649|3.283802|3.128014|3.605077|2.434947|2.044984|1.885830|1.876324|0.043065|0.047876|0.041407|0.040030|0.043621|0.043005|0.041441|0.045461|0.049364|0.052151|0.047169|0.042776|0.048039|0.050749|0.120274|0.106663|0.153750|0.500000| |1.340314|1.313457|1.901459|0.041781|1.349001|1.448104|1.387433|1.479274|2.247200|1.681325|1.876010|2.105658|2.784780|1.797192|3.055144|18.108890|2.901023|3.728526|7.047316|5.677003|5.658338|8.856147|17.729200|9.005684|5.619258|4.910651|3.594462|3.130604|3.291637|4.153596|1.876161|1.640269|1.526701|1.513224|0.036736|0.040013|0.035391|0.034105|0.036562|0.036585|0.035229|0.038599|0.040948|0.043151|0.038957|0.035823|0.039276|0.041196|0.078205|0.074028|0.100225|0.214519|0.500000| |1.294889|1.255016|1.809848|0.039656|1.302607|1.402302|1.301292|1.362610|2.043097|1.504692|1.650854|1.849947|2.503771|1.642670|2.847195|15.337850|2.502052|3.074936|5.507152|4.905374|4.931243|5.627896|9.000876|17.716334|8.838312|5.582024|4.153468|3.944887|4.713065|7.083312|1.627863|1.446126|1.352711|1.358273|0.035902|0.038498|0.034233|0.032740|0.034587|0.035688|0.033973|0.037815|0.039216|0.041908|0.036564|0.033685|0.035985|0.037997|0.067262|0.067062|0.091508|0.124152|0.216046|0.500000| |1.983398|1.882581|2.806443|0.063816|2.040547|2.296636|1.943703|2.008422|3.098314|2.185229|2.412700|2.930824|4.255747|2.681532|4.755479|23.833374|4.711170|5.385763|7.725352|10.110582|6.923792|4.645905|3.911587|4.136866|5.588591|8.796220|17.739303|9.053628|5.638575|4.943381|2.217684|1.908322|1.774464|1.866066|0.055873|0.060494|0.050685|0.048000|0.050658|0.056072|0.051282|0.061264|0.063093|0.072609|0.054925|0.048684|0.050932|0.055938|0.121092|0.147524|0.234978|0.110269|0.089277|0.095661|0.500000| |1.758358|1.651164|2.414726|0.053727|1.797144|1.996751|1.655584|1.670748|2.491210|1.752270|1.880529|2.175264|3.144298|2.091113|3.791412|16.863593|2.959683|3.222045|5.103008|5.309010|4.126242|3.282382|3.130044|3.602584|4.923798|5.610981|9.016910|17.717114|8.831747|5.660443|1.755270|1.563457|1.469552|1.541608|0.050400|0.052605|0.045527|0.042814|0.044050|0.050333|0.045672|0.054785|0.053982|0.061994|0.046713|0.042190|0.042774|0.046616|0.078521|0.090279|0.115788|0.078806|0.074071|0.089904|0.218532|0.500000| |1.442241|1.366649|1.970958|0.043222|1.458358|1.589013|1.372979|1.393567|2.057392|1.470032|1.574974|1.776821|2.506453|1.683088|3.018467|13.913305|2.331166|2.616007|4.355945|4.219208|3.587573|3.127738|3.293187|4.152541|5.609579|4.906369|5.646778|8.823755|17.724367|9.003685|1.504725|1.356070|1.277816|1.319212|0.041006|0.042709|0.037912|0.035781|0.036837|0.040751|0.037669|0.043716|0.043364|0.048153|0.038647|0.035457|0.036230|0.038909|0.062475|0.067714|0.087233|0.074039|0.079035|0.111792|0.124391|0.213713|0.500000| |1.327229|1.272198|1.832069|0.040118|1.336557|1.445493|1.297512|1.337303|1.986994|1.441586|1.561328|1.753350|2.422804|1.609628|2.838420|14.111083|2.335476|2.744612|4.720452|4.443883|4.153519|3.947227|4.721820|7.097328|8.850036|5.591087|4.940736|5.634946|9.003406|17.712806|1.516345|1.359456|1.276844|1.299546|0.037238|0.039357|0.035042|0.033277|0.034696|0.036978|0.034736|0.039381|0.039960|0.043430|0.036484|0.033588|0.035072|0.037327|0.062692|0.065222|0.087487|0.089991|0.111840|0.215954|0.107357|0.124182|0.216340|0.500000| |2.022806|2.202694|3.419789|0.074410|2.278446|2.442076|2.869370|3.410518|5.956175|6.080145|8.884971|6.439795|6.202947|3.982987|5.645621|43.865741|3.949215|3.384816|6.295821|3.751859|2.372000|2.334202|2.014763|1.819761|1.832867|2.063240|2.007821|1.768252|1.615768|1.639919|17.530945|8.847002|6.704975|5.392120|0.053076|0.059654|0.051839|0.056434|0.063785|0.057079|0.060738|0.061176|0.075828|0.069321|0.083710|0.071977|0.095980|0.086323|0.104566|0.098329|0.073376|0.071362|0.054375|0.046203|0.060324|0.047622|0.041365|0.042320|0.500000| |2.044917|2.225577|3.556124|0.077425|2.449308|2.738155|2.951832|3.317123|5.861842|5.782755|8.922249|6.921375|6.490602|4.055636|5.759152|49.618327|4.241961|3.617972|6.795656|3.942394|2.478534|2.385755|2.057919|1.881254|1.921963|2.182194|2.155666|1.897489|1.717395|1.727258|17.579373|8.878115|5.561467|4.894878|0.054580|0.059940|0.051761|0.057325|0.062858|0.060809|0.065148|0.069032|0.087232|0.077664|0.089727|0.072982|0.090511|0.082078|0.104830|0.110621|0.076548|0.071469|0.054855|0.047617|0.065419|0.051388|0.043940|0.044325|0.304517|0.500000| |1.840767|2.047331|3.177446|0.066459|2.180263|2.323670|2.738632|3.066233|4.904871|4.878197|5.523502|4.054925|4.440001|3.116298|4.642314|26.692461|2.777003|2.485271|4.630796|2.885739|1.889856|1.859318|1.658077|1.529329|1.543072|1.701948|1.678583|1.516338|1.399796|1.410598|8.870352|17.580090|8.837546|5.501737|0.048768|0.052790|0.047453|0.053946|0.058828|0.054183|0.060079|0.059371|0.073445|0.063509|0.082467|0.071062|0.090175|0.075353|0.073114|0.073475|0.056859|0.055445|0.045015|0.039439|0.049939|0.041294|0.036327|0.036769|0.219800|0.209300|0.500000| |2.088114|2.368368|3.816743|0.079277|2.646794|2.883948|3.386313|3.680289|6.015147|6.193523|6.640256|4.617080|5.109793|3.690681|5.412987|27.795427|2.928513|2.538836|4.611186|2.961368|1.914969|1.842273|1.637497|1.528845|1.567604|1.745426|1.755390|1.589696|1.450792|1.443307|8.845097|17.517936|8.858101|6.931320|0.055571|0.059488|0.053000|0.062419|0.067151|0.064190|0.073272|0.072879|0.094911|0.077372|0.107267|0.086106|0.106669|0.086479|0.076337|0.080299|0.059100|0.054111|0.043917|0.039314|0.052894|0.043746|0.037718|0.037411|0.174045|0.219574|0.303206|0.500000| |2.100113|2.377871|3.616004|0.075618|2.348584|2.390948|3.231306|3.975475|6.228563|6.484645|6.114664|4.294414|4.907191|3.655082|5.375106|25.366474|2.762208|2.393646|4.294330|2.833198|1.835775|1.801389|1.600028|1.475050|1.490948|1.649264|1.631209|1.472544|1.356030|1.363552|7.044056|8.892574|17.541959|8.865887|0.054162|0.060585|0.054504|0.061803|0.070933|0.058272|0.064471|0.059653|0.074181|0.065509|0.092357|0.084535|0.125171|0.098135|0.076703|0.072409|0.057058|0.053892|0.043415|0.038013|0.048711|0.040194|0.035212|0.035519|0.201645|0.141798|0.211849|0.173874|0.500000| |2.054527|2.372734|3.641762|0.073846|2.425580|2.462519|3.340805|3.826896|5.617933|5.528156|4.896561|3.573122|4.242838|3.260690|4.941548|21.280295|2.394781|2.100816|3.768915|2.521370|1.651722|1.610321|1.447303|1.350836|1.372999|1.509830|1.509422|1.378868|1.271698|1.270006|5.526309|8.794593|17.574669|8.902591|0.053511|0.057996|0.053276|0.063125|0.069858|0.059522|0.068428|0.062085|0.077668|0.065580|0.098899|0.089947|0.123588|0.091290|0.065470|0.064647|0.050919|0.047496|0.039205|0.035008|0.045021|0.037932|0.033246|0.033174|0.139398|0.123761|0.213152|0.210063|0.303559|0.500000| 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