Version2.1 2021-01-18T11:18:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1nc2c3c4c(c([nH+]c3sc2c(n1)NCC[NH+]5CCOCC5)N6CCCCC6)CCCC4 C09043039 RHF 6-31G(d) (6D,7F) c1nc2c3c4c(c([nH+]c3sc2c(n1)NCC[NH+]5CCOCC5)N6CCCCC6)CCCC4 C01[X(C24H34N6O1S1)] 192 C1 552 C1CCN(CC1)c1[nH+]c2sc3c(c2c2c1CCCC2)ncnc3NCC[NH+]1CCOCC1 C1CCN(CC1)c1[nH+]c2sc3c(c2c2c1CCCC2)ncnc3NCC[NH+]1CCOCC1 C1CCN(CC1)c2[nH+]c3sc4c(NCC[NH+]5CCOCC5)ncnc4c3c6CCCCc26 InChIKey=OAYWVCDTVSMRIF-UHFFFAOYSA-P InChI=1S/C24H32N6OS/c1-4-9-30(10-5-1)23-18-7-3-2-6-17(18)19-20-21(32-24(19)28-23)22(27-16-26-20)25-8-11-29-12-14-31-15-13-29/h16H,1-15H2,(H,25,26,27)/p+2 InChI=1/C24H32N6OS/c1-4-9-30(10-5-1)23-18-7-3-2-6-17(18)19-20-21(32-24(19)28-23)22(27-16-26-20)25-8-11-29-12-14-31-15-13-29/h16H,1-15H2,(H,25,26,27)/p+2/fC24H34N6OS/h25,28-29H/q+2 c1nc2c3c4c(c([nH+]c3sc2c(n1)NCC[NH+]5CCOCC5)N6CCCCC6)CCCC4 C01[X(C24H34N6O1S1)] 192 C01 552 C1CCN(CC1)c1[nH+]c2sc3c(c2c2c1CCCC2)ncnc3NCC[NH+]1CCOCC1 C1CC[N]([C]2[C]3[C]([C]4[C](N2)S[C]2[C]4[N][CH][N][C]2NCC[NH]2CCOCC2)CCCC3)CC1 [CH]1[N][C](NCC[NH]2CCOCC2)[C]3S[C]4N[C]([C]5CCCC[C]5[C]4[C]3[N]1)N6CCCCC6 InChIKey=LKFHONDWRHMNLO-UHFFFAOYSA-N InChI=1S/C24H34N6OS/c1-4-9-30(10-5-1)23-18-7-3-2-6-17(18)19-20-21(32-24(19)28-23)22(27-16-26-20)25-8-11-29-12-14-31-15-13-29/h16,28-29H,1-15H2,(H,25,26,27) InChI=1/C24H34N6OS/c1-4-9-30(10-5-1)23-18-7-3-2-6-17(18)19-20-21(32-24(19)28-23)22(27-16-26-20)25-8-11-29-12-14-31-15-13-29/h16,28-29H,1-15H2,(H,25,26,27)/f/h25H 3360.1216272255 -1727.2711692 1-A 26552.5408 121 431 552 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.19824 -20.77010 -15.92300 -15.87469 -15.80584 -15.77992 -15.75968 -15.75222 -11.56975 -11.55252 -11.54883 -11.51003 -11.50532 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4833.42 4836.47 4911.15 5284.96 5507.31 5577.28 0.621019 0.647631 0.648575 0.561196 -1726.650150 -1726.623538 -1726.622594 -1726.709973 2.930706D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE c1nc2c3c4c(c([nH+]c3sc2c(n1)NCC[NH+]5CCOCC5)N6CCCCC6)CCCC4 C09043039 RHF 6-31G(d) (6D,10F) C1 454.251482 |X|Y|Z| 152.748228 51.754249 23.278203 56.879689 32 6 7 8 16 24 6 1 1 |36.858105| |14.580213|53.358707| |8.547764|19.499576|36.858105| |5.255057|10.430701|13.016542|36.858105| |4.258369|8.148078|7.230137|13.334539|36.858105| |3.270559|5.700896|4.955381|7.839266|13.727265|36.858105| |2.975840|4.963505|4.512643|6.856846|7.878014|13.467957|36.858105| |3.271579|5.398676|5.296534|8.075790|6.936274|8.001001|14.109619|53.358707| |2.913772|4.616639|4.383383|5.851015|5.086617|5.809211|9.429207|25.948234|0.500000| |4.212082|7.220867|8.224426|13.961283|7.924918|6.891183|8.047717|19.252083|0.260389|36.858105| |4.352915|6.633684|7.239264|7.222387|4.788589|4.233064|4.782685|9.541201|0.185956|10.966652|388.023441| |7.238945|10.905664|13.769132|8.072234|5.073799|4.007291|4.005952|6.866326|0.124360|7.789309|77.085044|36.858105| |8.393059|9.448422|8.001615|5.202420|3.820895|3.128909|3.094826|5.020720|0.094839|4.956161|47.376652|13.583913|36.858105| |14.347014|10.982963|7.091660|4.598908|3.619210|2.919406|2.780199|4.295263|0.080306|4.061407|33.566406|8.111938|14.450694|53.358707| |5.434695|6.317630|5.213979|3.978234|3.084049|2.657694|2.708438|4.400232|0.086652|4.081588|41.505415|7.843500|13.994536|11.307618|53.358707| |4.680431|5.203831|3.948210|3.131591|2.564523|2.242662|2.259681|3.546203|0.070306|3.137639|28.864388|5.080314|7.766838|9.440259|17.916572|36.858105| |4.288936|4.740946|3.477274|2.806279|2.359388|2.071561|2.067150|3.187259|0.063039|2.771032|24.344705|4.206422|5.918648|8.100407|10.634375|12.436253|36.858105| |3.448298|3.882985|2.787328|2.325141|2.015401|1.794807|1.785220|2.701862|0.053723|2.287799|19.328629|3.205224|4.158931|5.960756|6.839730|7.513547|12.666632|53.358707| |3.083528|3.558659|2.601167|2.206371|1.914842|1.723210|1.730587|2.626893|0.052717|2.204158|18.794836|3.017008|3.825800|5.256600|6.503471|7.205384|9.279979|25.668965|0.500000| |3.557782|3.917597|2.712460|2.252589|1.980159|1.752994|1.719649|2.566898|0.050605|2.168815|17.741261|3.004976|3.856254|5.950496|5.836433|6.056364|7.555436|17.174876|0.257944|36.858105| |2.799063|3.205658|2.231216|1.909671|1.712207|1.538511|1.512158|2.232794|0.044289|1.849593|14.857153|2.424540|2.950684|4.421918|4.403117|4.210472|4.950234|10.443273|0.197400|12.507423|36.858105| |2.559438|2.975895|2.078098|1.797952|1.623904|1.466681|1.441880|2.120779|0.042129|1.744919|13.922312|2.243264|2.678674|3.971271|3.967766|3.624463|4.511657|9.154272|0.167210|7.959244|13.702588|73.516695| |2.487729|2.927028|2.084893|1.813208|1.626612|1.476633|1.465111|2.170811|0.043393|1.783472|14.447879|2.289572|2.729552|3.916408|4.164464|3.801121|4.977905|10.430804|0.197561|6.706422|8.216868|24.346710|36.858105| |2.946156|3.412728|2.446690|2.089544|1.843183|1.657499|1.647082|2.468083|0.049196|2.057830|17.013786|2.744511|3.373124|4.809691|5.282767|4.944908|7.668864|17.165938|0.258766|7.699695|6.718382|14.166757|12.514967|36.858105| |2.455131|3.938494|3.420221|4.606350|5.165342|7.783247|14.002487|11.201090|0.214823|5.327305|26.963006|3.167183|2.568979|3.171470|3.161106|1.981176|1.827314|2.180710|0.043436|1.542111|1.373452|2.338541|1.339456|1.491396|53.358707| |2.223114|3.515680|2.953027|3.782637|4.286821|6.003168|7.788062|7.584486|0.150531|4.143363|22.449307|2.736562|2.284814|2.866543|2.835445|1.812473|1.664812|2.014800|0.040314|1.439586|1.292551|2.192658|1.248361|1.375478|17.474481|36.858105| |1.912989|2.968906|2.430667|2.980590|3.357813|4.418129|5.163834|5.495317|0.112143|3.195632|18.327880|2.275759|1.951424|2.476783|2.455297|1.594312|1.484642|1.815933|0.036378|1.297696|1.176549|2.008739|1.144752|1.252692|10.505651|12.513658|36.858105| |1.788934|2.735834|2.254477|2.710682|2.921881|3.673504|4.475027|5.170896|0.111566|2.999799|17.886803|2.167529|1.872225|2.353570|2.394486|1.555660|1.454831|1.780561|0.035808|1.260969|1.146626|1.965867|1.127969|1.234663|8.950280|7.592386|12.454885|36.858105| |1.916810|2.943240|2.465190|3.001008|3.185592|4.022128|5.166234|6.078032|0.134043|3.413565|20.179351|2.386864|2.036689|2.532676|2.603149|1.670956|1.570417|1.903848|0.038181|1.335960|1.208423|2.079599|1.200209|1.324142|10.582989|6.558775|7.572315|12.459727|36.858105| |2.230626|3.477033|3.016418|3.826492|3.954712|5.125449|7.784364|9.324809|0.218517|4.642731|26.044859|2.933144|2.423077|2.954056|3.065795|1.925519|1.786356|2.134918|0.042766|1.491806|1.334734|2.284551|1.320075|1.470077|17.637958|7.746646|6.499883|7.529750|12.465506|36.858105| |2.740702|4.592968|3.687265|4.958813|7.502918|12.487828|7.514576|6.888725|0.116321|4.449665|22.520825|3.074344|2.543661|3.325013|3.007102|1.919850|1.803635|2.167346|0.042487|1.567407|1.394847|2.378722|1.341753|1.488543|8.868873|5.819310|4.796991|3.765536|3.946357|4.481860|36.858105| |2.808584|4.710396|3.538090|4.413767|6.591102|7.487668|4.959611|5.266867|0.091146|3.715961|19.899260|2.880713|2.453554|3.315419|2.876605|1.867891|1.765758|2.141251|0.041761|1.571374|1.402035|2.387964|1.333818|1.471314|5.898349|4.185361|3.648728|2.953693|3.009582|3.306345|12.483103|36.858105| |3.336398|5.774145|4.124614|4.947109|7.464902|6.576262|4.432766|5.096990|0.087366|3.866423|20.989060|3.208195|2.743064|3.795236|3.143094|2.036067|1.945844|2.342587|0.045194|1.725148|1.526185|2.604756|1.450385|1.611336|5.017066|3.377602|2.950556|2.525205|2.655225|2.964027|7.626182|12.529937|36.858105| |4.432845|8.543650|6.062108|7.502858|12.583925|7.523918|4.983853|6.088142|0.100640|5.036731|26.224575|4.242644|3.483521|4.821743|3.822828|2.419149|2.271959|2.683036|0.051538|1.975474|1.715986|2.899563|1.613678|1.814723|5.208588|3.418213|2.852710|2.481753|2.640566|3.079172|6.411674|7.601656|12.481285|36.858105| |17.740975|12.770453|5.953927|4.227866|3.696869|2.914837|2.626167|3.822444|0.070165|3.454127|24.859216|5.141349|5.912488|12.707265|5.984159|4.115920|3.953311|4.560947|0.082432|3.617018|2.880230|4.684199|2.501383|2.907009|3.010367|2.032691|1.774098|1.655608|1.758991|2.012034|2.532522|2.663008|3.187522|4.068708|0.500000| |4.440583|5.537365|4.789485|3.905997|3.022222|2.668117|2.797033|4.650693|0.093920|4.256328|47.291231|7.279314|9.389314|8.153215|26.068140|9.110265|6.078338|5.855082|0.118987|3.649648|2.887250|4.677810|2.796761|3.461292|3.289865|2.159969|1.865036|1.836379|2.004855|2.380940|2.205092|2.074521|2.227443|2.680943|0.101841|0.500000| |5.073745|5.432991|3.951682|3.098782|2.567713|2.227591|2.213118|3.422994|0.067214|3.022571|26.559556|4.829879|7.268156|10.236950|12.486450|17.642654|8.772902|9.252419|0.178599|6.673348|4.490012|6.531604|3.645986|4.482519|2.636836|1.793280|1.574592|1.521945|1.618557|1.858282|1.916689|1.889905|2.064034|2.464655|0.127062|0.188911|0.500000| |3.752542|4.385664|3.392149|2.815770|2.336970|2.087363|2.135148|3.354682|0.067701|2.897616|26.829567|4.305179|5.807300|6.885808|12.633572|17.578065|8.821585|9.278874|0.212378|5.350664|4.033934|6.172351|3.726546|4.654367|2.584647|1.748741|1.545298|1.519081|1.626575|1.866844|1.797699|1.737347|1.865410|2.184688|0.093394|0.237952|0.301754|0.500000| |3.749234|4.347046|3.286027|2.726153|2.294870|2.040811|2.061702|3.198933|0.063930|2.753422|24.571103|4.015094|5.281068|6.707558|9.675666|8.850950|17.627716|12.396317|0.217888|5.578094|4.172437|7.187437|4.751795|7.438817|2.496434|1.658468|1.485602|1.469336|1.598645|1.817091|1.777740|1.721448|1.886921|2.181788|0.095091|0.169481|0.173207|0.213416|0.500000| |5.076302|5.367410|3.789306|2.981690|2.513518|2.171943|2.131714|3.257600|0.063498|2.859859|24.351068|4.430896|6.308152|9.697733|9.590354|8.812217|17.662697|12.391943|0.181638|7.136244|4.683804|7.793790|4.604891|6.853723|2.543233|1.695668|1.511242|1.471691|1.591197|1.809208|1.893385|1.870431|2.095422|2.462720|0.131773|0.148422|0.210044|0.173264|0.300896|0.500000| |3.965887|4.255511|2.864836|2.350573|2.075698|1.819149|1.763973|2.616819|0.051122|2.222839|17.869576|3.102847|3.982555|6.510120|5.693151|5.474396|7.070081|12.401187|0.181730|17.632559|8.824894|12.648661|5.866176|6.986112|2.141425|1.463892|1.319506|1.276790|1.355184|1.512705|1.630243|1.646911|1.830681|2.101321|0.115735|0.097233|0.167514|0.127576|0.146655|0.221238|0.500000| |3.774665|4.127046|2.861174|2.359187|2.060532|1.818751|1.785737|2.674265|0.052683|2.270598|18.664639|3.189949|4.148713|6.416382|6.291391|6.786054|6.913510|12.255567|0.224160|17.654446|8.801815|10.170402|5.013238|5.602650|2.172736|1.497427|1.341713|1.298667|1.369804|1.536531|1.617055|1.621860|1.772226|2.047078|0.105631|0.108664|0.239016|0.166823|0.141033|0.176549|0.299990|0.500000| |2.734026|3.135753|2.151708|1.848081|1.673709|1.502777|1.466774|2.147933|0.042444|1.773266|14.002910|2.293720|2.751700|4.199643|3.979538|3.668905|4.105786|7.597863|0.144047|8.925845|17.644458|16.898431|5.893208|5.012083|1.815015|1.262080|1.150405|1.116037|1.170437|1.288608|1.370783|1.389071|1.513203|1.695422|0.079832|0.072662|0.112132|0.096666|0.096925|0.112506|0.215182|0.210267|0.500000| |2.562180|2.985017|2.111220|1.826666|1.636767|1.482555|1.468756|2.174339|0.043425|1.789928|14.478878|2.314863|2.787464|4.052203|4.248545|4.079695|4.538609|9.302779|0.206021|8.810732|17.495376|16.535544|7.325503|5.848470|1.825218|1.266509|1.153967|1.128216|1.186261|1.309043|1.343649|1.343729|1.449433|1.625598|0.072083|0.079091|0.119601|0.114577|0.109527|0.113722|0.172942|0.213784|0.301441|0.500000| |2.280066|2.719794|1.937718|1.703883|1.542075|1.407000|1.394820|2.055115|0.041109|1.675835|13.425207|2.105027|2.458367|3.514766|3.685371|3.221164|4.134009|7.591186|0.144169|5.006148|5.893132|16.890104|17.645426|8.924061|1.743668|1.193366|1.100451|1.086851|1.157716|1.266155|1.287011|1.280026|1.391914|1.534772|0.063919|0.069503|0.085481|0.087497|0.113984|0.110104|0.131445|0.109913|0.132146|0.148387|0.500000| |2.308908|2.748394|1.981568|1.738624|1.558799|1.424905|1.423904|2.114779|0.042546|1.727540|14.084486|2.192249|2.592180|3.639431|4.024996|3.691309|4.559937|9.291177|0.206141|5.839032|7.324302|16.531272|17.497282|8.812308|1.780424|1.223305|1.122786|1.109729|1.178147|1.294630|1.294243|1.281149|1.381683|1.534722|0.063847|0.076582|0.097871|0.105176|0.123378|0.112180|0.134524|0.131251|0.148392|0.219930|0.301416|0.500000| |2.760461|3.268935|2.394436|2.070702|1.821166|1.650847|1.656632|2.496802|0.050147|2.070810|17.333257|2.720739|3.284616|4.493641|5.268081|4.738347|7.099761|12.301956|0.225949|5.610458|5.018604|10.160461|8.775204|17.624764|2.050105|1.382784|1.261881|1.252290|1.349804|1.498668|1.479804|1.449468|1.579044|1.772166|0.074261|0.098753|0.113823|0.128866|0.229120|0.167934|0.142815|0.126143|0.109987|0.131425|0.209241|0.213329|0.500000| |3.151130|3.616567|2.549972|2.162742|1.915852|1.710515|1.683911|2.509602|0.049629|2.100789|17.106481|2.811854|3.445392|5.065844|5.163253|4.594723|7.160404|12.390149|0.181959|6.983621|5.873700|12.663777|8.831798|17.628483|2.066336|1.394959|1.271066|1.248738|1.342415|1.489349|1.539907|1.530127|1.693231|1.906575|0.087598|0.092458|0.117901|0.114407|0.189471|0.210098|0.208781|0.142618|0.131564|0.134662|0.215351|0.172999|0.299591|0.500000| |2.180940|3.403505|2.878050|3.600079|3.853709|4.976626|6.556219|7.377734|0.155983|4.073932|22.953669|2.736342|2.295846|2.852477|2.883599|1.844383|1.676431|2.031770|0.040900|1.449312|1.302201|2.200159|1.254191|1.379893|12.392232|17.494294|8.846713|6.872160|5.818606|7.092438|4.535376|3.520551|2.961449|3.089313|0.055217|0.061648|0.050687|0.049850|0.046389|0.047029|0.040671|0.042071|0.035268|0.035619|0.033207|0.034297|0.038589|0.038637|0.500000| |2.330601|3.729653|3.085579|3.975446|4.741031|6.746720|7.423747|7.087828|0.132528|4.117189|21.956689|2.781492|2.324982|2.956857|2.846674|1.826981|1.675068|2.031042|0.040508|1.464233|1.313032|2.220194|1.256226|1.381878|12.304597|17.674716|8.783504|5.504557|4.890629|5.630902|6.911212|5.020437|3.828902|3.841073|0.059476|0.059575|0.050703|0.048659|0.045963|0.047653|0.041515|0.042439|0.035775|0.035641|0.033310|0.034111|0.038355|0.039033|0.304011|0.500000| |1.796063|2.762512|2.231896|2.677086|2.990955|3.772950|4.212908|4.688822|0.095845|2.830426|16.637955|2.096087|1.821372|2.327739|2.302546|1.509841|1.403572|1.729313|0.034730|1.242158|1.131452|1.928107|1.095393|1.191909|7.633081|8.929976|17.565434|8.803043|5.505603|4.885401|4.115328|3.345054|2.705824|2.612337|0.046593|0.048494|0.041647|0.040791|0.038873|0.039597|0.035013|0.035757|0.030822|0.030892|0.029241|0.029904|0.033274|0.033521|0.215428|0.212676|0.500000| |1.907514|2.973253|2.404612|2.948154|3.424618|4.556051|4.960151|5.155522|0.102034|3.071024|17.488077|2.218674|1.908546|2.446359|2.386222|1.553804|1.459607|1.787128|0.035645|1.280004|1.161442|1.989775|1.132186|1.238658|9.434265|8.891619|17.544808|8.823568|6.761603|5.675781|5.445009|4.069356|3.201830|2.977121|0.049423|0.049939|0.042667|0.041606|0.040550|0.041531|0.036333|0.036624|0.031600|0.031526|0.030315|0.030738|0.034604|0.035078|0.173821|0.213424|0.302444|0.500000| |1.746387|2.648500|2.189140|2.598370|2.730016|3.337085|4.104925|4.990812|0.111027|2.918335|17.845028|2.136766|1.854858|2.318822|2.394677|1.559037|1.448296|1.776326|0.035899|1.256480|1.144181|1.956313|1.123635|1.227656|7.764380|6.793616|8.850388|17.515764|8.844150|6.736920|3.297444|2.662076|2.311934|2.317567|0.044829|0.051377|0.042359|0.042581|0.040641|0.040433|0.035162|0.036056|0.030904|0.031400|0.030015|0.030828|0.034632|0.034321|0.201414|0.139634|0.216074|0.173581|0.500000| |1.639590|2.486761|2.020088|2.382895|2.572866|3.152811|3.650840|4.299378|0.091643|2.587829|15.751012|1.943035|1.701648|2.157174|2.186571|1.434195|1.351442|1.665039|0.033487|1.180970|1.079896|1.857918|1.065665|1.161203|6.709712|5.521135|8.824455|17.583729|8.843926|5.498323|3.332153|2.703204|2.324427|2.247029|0.042485|0.046390|0.039004|0.038950|0.037951|0.037997|0.033234|0.033680|0.029239|0.029519|0.028616|0.029127|0.032721|0.032647|0.140152|0.123229|0.209265|0.215064|0.303727|0.500000| |1.800687|2.726277|2.276610|2.700714|2.787560|3.363818|4.211271|5.325371|0.120917|3.095325|19.143359|2.247712|1.942390|2.407066|2.518986|1.624421|1.532512|1.863477|0.037506|1.300337|1.180527|2.037700|1.181472|1.301676|7.674613|4.914945|5.503453|8.800234|17.566232|8.919394|3.253990|2.585825|2.340296|2.346334|0.045976|0.054218|0.043462|0.044218|0.043618|0.042898|0.036508|0.036937|0.031675|0.032283|0.031718|0.032308|0.037043|0.036543|0.130403|0.107823|0.123253|0.138599|0.215372|0.210059|0.500000| |1.913360|2.949003|2.443262|2.973759|3.236895|4.109965|4.975673|5.675074|0.119229|3.282206|19.218151|2.331122|1.995553|2.506068|2.533078|1.630674|1.547775|1.877795|0.037477|1.320002|1.194820|2.064430|1.190158|1.313293|9.529200|5.727372|6.777443|8.831261|17.553433|8.920864|4.240053|3.198829|2.817586|2.728230|0.049015|0.053687|0.043908|0.043827|0.043765|0.043862|0.037387|0.037437|0.032191|0.032454|0.031990|0.032327|0.037139|0.037181|0.133543|0.127430|0.138732|0.197492|0.173555|0.215259|0.302632|0.500000| |2.335325|3.637451|3.192110|4.036604|4.051784|5.034439|7.373531|9.851155|0.231074|5.008384|28.388230|3.137976|2.573109|3.109646|3.257266|2.025360|1.894223|2.244633|0.044814|1.555009|1.385708|2.382244|1.383898|1.552277|12.413627|5.628446|4.889517|5.505602|8.872735|17.586047|4.277310|3.206123|2.989035|3.138338|0.058157|0.070403|0.053749|0.054333|0.053974|0.053419|0.043898|0.044251|0.037004|0.037654|0.036931|0.037604|0.044166|0.043811|0.144190|0.126519|0.107699|0.127840|0.138642|0.123791|0.213729|0.219285|0.500000| |2.186262|3.363721|2.933098|3.629096|3.592568|4.413187|6.495316|8.915599|0.236152|4.539204|26.877144|2.932935|2.437011|2.938199|3.130084|1.965532|1.802796|2.157239|0.043513|1.503343|1.346002|2.294638|1.328360|1.477279|12.231762|6.945287|5.689628|6.753422|8.835481|17.444793|3.786318|2.932762|2.661263|2.822619|0.054629|0.068465|0.052607|0.053470|0.050981|0.050215|0.042044|0.043205|0.036026|0.036866|0.035281|0.036377|0.041923|0.041283|0.210574|0.142988|0.128020|0.131244|0.197203|0.138840|0.217104|0.174238|0.299649|0.500000| |2.580693|4.252299|3.404441|4.441719|6.186143|8.979205|6.605829|6.379078|0.110631|4.106027|21.420595|2.898103|2.421704|3.161693|2.891387|1.849985|1.760901|2.117182|0.041444|1.521385|1.358074|2.333303|1.322117|1.468137|8.364219|5.133142|4.604445|3.802810|4.167615|4.560548|17.522536|8.853072|6.755338|5.470462|0.066498|0.058967|0.050871|0.048172|0.048609|0.051426|0.044021|0.043268|0.036978|0.036300|0.035398|0.035374|0.040717|0.042314|0.112269|0.153235|0.107362|0.151463|0.090364|0.095289|0.095487|0.131641|0.125524|0.103509|0.500000| |2.443089|3.990759|3.205189|4.173271|5.663002|8.808168|6.968635|6.378937|0.112614|3.961358|20.737707|2.764741|2.318296|3.015572|2.788663|1.794804|1.678648|2.033014|0.040111|1.470896|1.317671|2.244498|1.266507|1.396348|9.713288|7.435914|6.178172|4.391659|4.327147|4.729150|17.691031|8.906569|5.559303|4.882393|0.063029|0.057291|0.049822|0.047147|0.046026|0.048512|0.042221|0.042255|0.035999|0.035442|0.033753|0.034100|0.038627|0.039893|0.149161|0.268380|0.145864|0.202521|0.104890|0.106808|0.096605|0.127289|0.118162|0.111257|0.306312|0.500000| |2.458760|3.997078|2.968102|3.557396|4.851566|5.502981|4.092793|4.451178|0.079441|3.109757|17.319585|2.489174|2.165444|2.939571|2.579444|1.695472|1.617633|1.980335|0.038678|1.454528|1.309225|2.241119|1.251557|1.371831|5.195652|3.780796|3.514793|2.856933|2.871073|3.024729|8.904355|17.581882|8.826234|5.514823|0.065684|0.051742|0.047581|0.044034|0.043953|0.047507|0.042323|0.041515|0.036099|0.034884|0.033514|0.033411|0.037577|0.039642|0.088455|0.122798|0.090756|0.112401|0.070884|0.074355|0.068916|0.086198|0.081313|0.074432|0.219265|0.212926|0.500000| |2.804734|4.675154|3.478382|4.255033|6.069258|6.595557|4.629857|5.041365|0.088070|3.591291|19.505246|2.842117|2.437881|3.308326|2.860517|1.868271|1.747580|2.129411|0.041665|1.574363|1.406288|2.379251|1.322694|1.452763|5.544370|4.175044|3.567976|2.848274|2.821089|3.111089|8.841750|17.522260|8.862092|6.947626|0.074197|0.057294|0.053005|0.048392|0.047003|0.051201|0.045684|0.045470|0.038847|0.037531|0.035134|0.035385|0.039612|0.041788|0.100035|0.145577|0.093770|0.107091|0.072690|0.072176|0.067744|0.081144|0.082268|0.078727|0.173869|0.218146|0.303386|0.500000| |3.168907|5.366976|3.889757|4.614162|6.497817|5.997273|4.270549|4.961034|0.085874|3.729744|20.540529|3.099616|2.662585|3.662266|3.078804|1.992625|1.931907|2.321683|0.044684|1.694960|1.502405|2.586528|1.448496|1.613889|4.921196|3.207170|2.872483|2.515431|2.706374|2.988173|6.983976|8.877004|17.529748|8.850272|0.084013|0.060711|0.055497|0.050732|0.052528|0.057960|0.050068|0.047930|0.041215|0.039571|0.038815|0.038240|0.044142|0.047320|0.077785|0.097447|0.072223|0.087695|0.063376|0.064825|0.066589|0.081430|0.085619|0.073440|0.202494|0.141740|0.212026|0.173734|0.500000| |3.214383|5.385017|3.658932|4.089756|5.511895|4.854015|3.569739|4.253569|0.074778|3.263933|18.597625|2.897473|2.559049|3.626458|2.951137|1.946558|1.872827|2.280867|0.043906|1.699173|1.511863|2.581164|1.426297|1.573180|4.181471|2.902087|2.593266|2.239537|2.320858|2.543244|5.521747|8.814931|17.582905|8.915714|0.088158|0.057638|0.055309|0.049501|0.050119|0.056234|0.050329|0.048442|0.041932|0.039761|0.038080|0.037654|0.042557|0.046055|0.072074|0.091039|0.067439|0.077761|0.057490|0.057994|0.057587|0.068049|0.070972|0.064473|0.139869|0.123968|0.212534|0.211299|0.303727|0.500000| |4.579298|8.700835|5.807226|6.573868|9.069222|6.147786|4.403145|5.507707|0.093125|4.580652|24.922245|4.118210|3.469545|4.901762|3.803600|2.439715|2.259212|2.691576|0.051839|2.011038|1.747624|2.923992|1.613026|1.801864|4.736666|3.254779|2.707570|2.341036|2.434010|2.818733|5.374613|6.625019|8.816298|17.510032|0.118990|0.073711|0.070341|0.061238|0.059495|0.067757|0.059310|0.058530|0.048296|0.046043|0.042408|0.042706|0.048528|0.052343|0.083544|0.103504|0.070341|0.077348|0.061566|0.058981|0.060427|0.068782|0.078319|0.073428|0.124124|0.123025|0.138203|0.196926|0.173938|0.220640|0.500000| 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