Version2.1 2020-12-17T11:34:40Z 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 Cc1c2c(ncnc2sc1C(=O)NC34CC5CC(C3)CC(C5)C4)NCCCN6CCCC6=O C12213480 RHF 6-31G(d) (6D,7F) Cc1c2c(ncnc2sc1C(=O)NC34CC5CC(C3)CC(C5)C4)NCCCN6CCCC6=O C01[X(C25H33N5O2S1)] 192 C1 565 O=C1CCCN1CCCNc1ncnc2c1c(C)c(s2)C(=O)NC12CC3CC(C2)CC(C1)C3 O=C1CCCN1CCCNc1ncnc2c1c(C)c(s2)C(=O)NC12CC3CC(C2)CC(C1)C3 Cc1c(sc2ncnc(NCCCN3CCCC3=O)c12)C(=O)NC45CC6CC(CC(C6)C4)C5 InChIKey=AZWHWKMIWVSETA-UHFFFAOYSA-N InChI=1S/C25H33N5O2S/c1-15-20-22(26-5-3-7-30-6-2-4-19(30)31)27-14-28-24(20)33-21(15)23(32)29-25-11-16-8-17(12-25)10-18(9-16)13-25/h14,16-18H,2-13H2,1H3,(H,29,32)(H,26,27,28) InChI=1/C25H33N5O2S/c1-15-20-22(26-5-3-7-30-6-2-4-19(30)31)27-14-28-24(20)33-21(15)23(32)29-25-11-16-8-17(12-25)10-18(9-16)13-25/h14,16-18H,2-13H2,1H3,(H,29,32)(H,26,27,28)/f/h26,29H Cc1c2c(ncnc2sc1C(=O)NC34CC5CC(C3)CC(C5)C4)NCCCN6CCCC6=O C01[X(C25H33N5O2S1)] 192 C01 565 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1287.64 1341.93 1350.73 1360.32 1410.10 1410.57 1419.59 1420.79 1442.28 1453.78 1458.23 1473.67 1502.45 1540.34 1543.98 1552.94 1578.61 1582.79 1601.78 1622.76 1635.21 1642.81 1653.02 1654.75 1667.99 1677.16 1684.53 1720.97 1733.34 1744.64 1759.06 1761.78 1766.80 1770.61 1785.33 1788.63 1811.36 1863.75 1875.25 1901.41 1903.26 1904.19 1937.74 1960.33 1978.03 2002.89 2016.11 2026.41 2033.80 2051.90 2056.10 2067.79 2081.05 2085.99 2090.29 2091.99 2101.89 2135.80 2139.50 2141.06 2141.48 2144.32 2150.61 2165.59 2170.61 2187.95 2188.22 2205.62 2210.31 2212.12 2222.99 2250.38 2262.53 2304.45 2313.72 2325.63 2351.36 2353.83 2355.14 2360.72 2368.47 2371.45 2373.93 2374.66 2376.36 2377.02 2405.60 2411.80 2430.62 2437.87 2462.75 2497.66 2557.11 2573.57 2755.87 2835.01 4576.51 4586.36 4587.96 4589.75 4591.27 4600.65 4602.86 4608.30 4613.13 4621.02 4625.86 4629.33 4631.16 4632.96 4640.10 4642.52 4644.31 4646.00 4651.34 4652.42 4662.60 4679.51 4683.76 4727.92 4729.67 4734.53 4739.31 4747.67 4752.54 4857.10 4878.38 5574.75 5660.68 0.607357 0.635073 0.636018 0.544251 -1784.887336 -1784.859620 -1784.858676 -1784.950443 3.077880D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE Cc1c2c(ncnc2sc1C(=O)NC34CC5CC(C3)CC(C5)C4)NCCCN6CCCC6=O C12213480 RHF 6-31G(d) (6D,10F) C1 467.235497 |X|Y|Z| 61.059349 28.707129 161.269586 65.629355 30 6 7 16 24 5 1 |36.858105| |12.635183|36.858105| |7.283125|13.063415|36.858105| |5.814051|7.201170|13.365888|36.858105| |4.153742|5.023495|8.008545|14.398440|53.358707| |3.646722|4.640711|7.144725|8.371030|19.583385|36.858105| |3.804793|5.220035|7.870650|6.897252|10.973368|14.584541|53.358707| |5.016985|8.045963|13.756920|8.076002|9.774458|8.648378|19.502421|36.858105| |4.678466|7.312964|7.365270|4.876359|5.922021|4.960773|9.666323|11.015174|388.023441| |7.521848|14.126423|8.212170|5.123503|5.564453|4.125585|6.834768|7.662324|76.936001|36.858105| |6.126150|7.479172|5.044801|3.711345|4.222417|3.118989|4.964400|4.825809|47.968525|12.719647|36.858105| |6.347072|6.377651|4.353307|3.397632|3.848062|2.768184|4.237217|3.960378|34.852692|8.067631|15.813051|73.516695| |4.384123|5.237549|4.083092|3.139072|3.737415|2.843493|4.584195|4.222361|44.514318|7.932704|14.104274|15.021929|53.358707| |3.481979|3.816941|3.119603|2.540321|3.087165|2.334377|3.655175|3.189622|30.444318|4.992330|7.584055|11.720943|17.678141|36.858105| |2.848025|3.171828|2.754691|2.291145|2.862514|2.206638|3.470520|2.919979|27.642832|4.007919|5.109655|7.789501|10.748017|12.379281|36.858105| |2.397719|2.572260|2.268930|1.944835|2.451761|1.873755|2.880679|2.367062|21.119417|3.082425|3.805615|6.287929|6.850903|7.544196|12.402549|36.858105| |2.389647|2.476952|2.162240|1.875668|2.347036|1.765287|2.668160|2.197359|18.913450|2.880431|3.567858|6.135847|6.053259|6.438626|7.597112|12.402026|36.858105| |2.726193|2.747302|2.323510|2.003319|2.463933|1.827028|2.746865|2.303379|19.724132|3.184945|4.162745|7.587852|6.766626|7.561146|6.493020|7.598880|12.404321|36.858105| |3.449248|3.516619|2.853240|2.388001|2.881739|2.131434|3.243629|2.802541|24.709839|4.237859|6.076293|10.774011|10.407773|12.368129|7.615725|6.474939|7.588386|12.392658|36.858105| |2.565520|2.578547|2.192903|1.901152|2.346133|1.740085|2.610096|2.176876|18.583440|2.976036|3.873920|7.372444|6.009016|6.461876|5.386490|6.480358|7.593067|12.397722|7.594390|36.858105| |2.573427|2.684472|2.302991|1.972222|2.449606|1.842910|2.806725|2.340188|20.649092|3.197530|4.178453|7.629082|6.777919|7.565862|6.499764|7.602360|6.476267|7.588834|6.468205|12.397350|36.858105| |2.284466|2.430148|2.145266|1.849785|2.334272|1.779268|2.722306|2.228721|19.717901|2.888966|3.576660|6.156179|6.058750|6.437792|7.601392|12.403389|7.595314|6.474913|5.363557|7.593947|12.406003|36.858105| |3.153444|3.387022|2.815239|2.335618|2.858751|2.156777|3.343640|2.869640|26.608874|4.267120|6.123692|10.889548|10.444484|12.374039|7.623676|6.475221|5.363034|6.463568|7.569892|7.590200|12.392184|7.585811|36.858105| |6.054189|6.030538|7.812373|14.141198|11.388104|5.458828|6.314064|5.250563|26.959529|4.283830|3.345696|5.711408|3.830139|2.343978|2.096234|1.812359|1.777993|1.920053|2.267534|1.826770|1.863098|1.732271|2.175021|53.358707| |4.239655|4.134028|5.036565|7.746283|9.465649|4.690245|5.192492|3.959206|21.356953|3.236148|2.667397|4.615794|3.154221|1.988495|1.809098|1.592847|1.567808|1.678885|1.937837|1.607247|1.633486|1.530484|1.868725|17.845233|36.858105| |3.965849|3.559061|3.917217|5.118427|6.140710|3.435185|4.049164|3.145641|18.194133|2.845143|2.451912|4.357372|2.906985|1.870771|1.694287|1.511938|1.508942|1.628328|1.862716|1.560031|1.562612|1.456087|1.765842|10.642239|12.494230|36.858105| |3.011584|2.785627|3.056514|3.832173|5.007939|2.940968|3.459712|2.599097|15.365769|2.330654|2.052429|3.648830|2.486356|1.627460|1.494006|1.349260|1.346490|1.440688|1.620785|1.387485|1.389941|1.304692|1.549313|6.823415|7.536541|12.460591|36.858105| |2.721992|2.459155|2.596270|3.083222|3.972793|2.429627|2.945962|2.234687|13.659566|2.094557|1.892117|3.407444|2.305730|1.531461|1.405496|1.282280|1.290949|1.385574|1.544658|1.336082|1.325948|1.242249|1.463080|5.278932|4.987595|7.694423|13.177387|53.358707| |2.473324|2.242859|2.345520|2.724019|3.538718|2.210634|2.707811|2.048159|12.693794|1.938690|1.770621|3.177846|2.184428|1.462308|1.351788|1.239607|1.256232|1.342575|1.488390|1.285711|1.267435|1.193992|1.387649|4.506103|4.018109|5.573221|7.480555|17.889325|36.858105| |2.279012|2.039604|2.080805|2.342771|3.012866|1.920988|2.399393|1.829586|11.601456|1.786504|1.663588|3.023314|2.057242|1.394028|1.285675|1.189615|1.212896|1.301839|1.430597|1.252762|1.226710|1.151418|1.332375|3.798310|3.207277|4.250356|5.093017|11.076868|12.396756|36.858105| |2.228185|1.999015|2.040639|2.297334|2.960857|1.890226|2.360899|1.797717|11.409816|1.753884|1.634547|2.988478|2.012488|1.364932|1.254929|1.162742|1.179481|1.268685|1.390915|1.233218|1.213667|1.134844|1.319145|3.718084|3.164447|4.148512|5.128121|11.162322|7.896384|12.435708|36.858105| |2.536262|2.276361|2.359611|2.727106|3.500113|2.184505|2.690081|2.048852|12.753079|1.962671|1.798778|3.278537|2.190999|1.468211|1.343456|1.233942|1.243103|1.339120|1.482165|1.303203|1.292138|1.205187|1.419017|4.552027|4.067466|5.690857|7.769044|19.139273|8.096373|7.924949|12.550745|36.858105| |2.563110|2.310122|2.394811|2.759219|3.538293|2.213462|2.731148|2.081654|12.965975|1.993861|1.826070|3.343905|2.212879|1.481545|1.350854|1.240260|1.243254|1.342047|1.485044|1.316559|1.312458|1.219546|1.445114|4.572941|4.048690|5.342722|6.723444|11.417973|5.440357|5.347021|7.830927|15.890475|73.516695| |17.524044|8.876969|6.405884|5.658293|5.564258|3.516226|4.859761|4.522363|29.205468|5.945144|5.038387|9.738715|5.084304|3.078311|2.547486|2.188751|2.172191|2.472041|3.026178|2.389025|2.409206|2.128921|2.912525|8.602468|4.524739|4.304185|3.232484|3.965072|2.575405|2.386597|2.383935|2.762562|5.068771|0.500000| |17.705871|8.881533|5.450162|4.412798|4.621385|3.095860|4.478558|4.226779|30.807893|7.137370|7.111676|14.876856|6.659094|3.960403|3.105819|2.620861|2.655069|3.129617|4.070356|2.930530|2.882029|2.498543|3.564193|6.154846|3.441980|3.329734|2.633325|3.330514|2.260552|2.127288|2.078350|2.315789|4.153757|0.304152|0.500000| |17.549834|8.886600|6.618683|5.940266|5.774890|3.613090|4.954366|4.600601|29.134719|5.844378|4.876459|8.716724|5.173252|3.108174|2.624019|2.236559|2.259052|2.544041|3.162951|2.355710|2.328611|2.103965|2.773911|9.166962|4.679559|4.513810|3.318600|4.085082|2.759713|2.509154|2.399899|2.728923|4.793585|0.300047|0.300785|0.500000| |3.030590|3.678257|5.091967|5.905350|12.744259|17.719013|12.781808|5.989613|28.783908|3.375375|2.674493|4.271874|3.393044|2.095427|2.012605|1.732102|1.631043|1.672772|1.921294|1.598476|1.692619|1.649130|1.951578|6.014353|4.136088|3.115604|2.781255|3.139840|2.114105|1.835279|1.808715|2.077953|3.738362|0.082063|0.073238|0.084087|0.500000| |4.079510|5.098831|4.220792|3.226434|3.908003|3.042074|5.024773|4.601709|51.656132|7.651176|9.478239|10.904952|26.071223|9.065522|7.849263|4.829737|4.174466|4.328549|6.113232|3.776001|4.236420|4.089965|5.859669|3.848289|2.332732|2.122850|1.821686|2.285052|1.596662|1.492557|1.453579|1.583446|2.831874|0.096253|0.120418|0.101423|0.074087|0.500000| |2.740219|3.135978|2.790413|2.313144|2.925019|2.293151|3.663223|3.049351|29.779905|4.010320|4.854003|7.244306|9.860529|8.815739|17.511853|8.792245|5.507469|4.852143|5.520282|4.458334|5.744443|6.926453|6.962823|2.840471|1.805024|1.672462|1.479728|1.883388|1.325063|1.255646|1.230808|1.323034|2.374109|0.068885|0.081168|0.069738|0.058305|0.214810|0.500000| |2.864983|3.204023|2.814701|2.347275|2.941180|2.271254|3.570009|2.991712|27.888832|3.990555|4.833043|7.214295|9.828356|8.805853|17.492450|8.804642|6.929729|5.739447|6.950623|4.457739|4.854774|5.511371|5.520432|2.914992|1.846919|1.727427|1.521542|1.946182|1.383375|1.310165|1.269760|1.357341|2.411731|0.070164|0.085939|0.074797|0.057560|0.226062|0.301977|0.500000| |2.166451|2.337087|2.109314|1.827831|2.333437|1.796311|2.756891|2.225703|19.589036|2.760611|3.255015|5.332543|5.688770|5.502647|8.857904|17.532519|8.814443|5.514632|4.858765|4.849382|5.515935|8.814326|4.858957|2.312427|1.505893|1.426563|1.281865|1.657763|1.181387|1.132229|1.105232|1.170377|2.087893|0.055191|0.064717|0.056749|0.046534|0.117096|0.213473|0.213886|0.500000| |2.122201|2.178600|1.927440|1.696150|2.137511|1.604989|2.404390|1.955514|16.494132|2.484101|2.995755|5.246691|4.866995|4.822212|5.510286|8.802745|17.516634|8.788669|5.502767|6.913323|5.722401|6.928614|4.442218|2.202847|1.442506|1.395823|1.255650|1.646740|1.180328|1.145156|1.115315|1.169702|2.080156|0.054293|0.065008|0.056048|0.041495|0.094039|0.123145|0.141478|0.212318|0.500000| |2.392049|2.482384|2.182559|1.899811|2.382114|1.791605|2.702002|2.218130|18.896782|2.860404|3.452480|5.820698|5.835547|5.690168|6.908797|8.791526|17.511217|8.793243|6.910772|5.505768|4.841528|5.506842|4.438728|2.450344|1.588183|1.528862|1.363851|1.779681|1.279491|1.231797|1.190197|1.252124|2.214608|0.059796|0.073322|0.063770|0.046023|0.116287|0.141163|0.207480|0.212979|0.302893|0.500000| |2.616963|2.568921|2.183521|1.911167|2.349573|1.726014|2.561681|2.135016|17.750469|2.885617|3.646926|6.793537|5.598700|5.506728|4.864012|5.516152|8.822805|17.530261|8.847875|8.819512|5.511778|4.851739|4.849052|2.526712|1.634682|1.603699|1.423100|1.877651|1.344715|1.311521|1.273239|1.334917|2.368574|0.066117|0.083704|0.068947|0.044028|0.101814|0.106888|0.128347|0.123413|0.212362|0.212906|0.500000| |3.487878|3.566199|2.922347|2.453487|2.963100|2.189588|3.323979|2.866263|24.882661|4.223058|5.641893|9.424403|9.584863|8.828514|6.972919|5.743106|6.931518|8.783073|17.508714|5.504572|4.845830|4.452749|5.506921|3.168160|1.986187|1.909021|1.657563|2.148775|1.532372|1.466122|1.412616|1.502352|2.656186|0.083228|0.112706|0.091478|0.054798|0.173547|0.142203|0.210008|0.128617|0.141392|0.207810|0.212567|0.500000| |3.894582|3.782951|2.974392|2.493155|2.961110|2.155026|3.243417|2.832377|24.325648|4.433862|6.566783|13.391343|9.432001|8.824229|5.527950|4.845250|5.507567|8.786012|17.598618|6.905548|5.706685|4.440169|6.893437|3.273636|2.042868|1.982608|1.711798|2.228610|1.570823|1.516450|1.477978|1.577335|2.815338|0.094893|0.134123|0.097580|0.053656|0.149169|0.123537|0.142087|0.106854|0.123036|0.141382|0.213263|0.302493|0.500000| |2.245167|2.248087|1.949407|1.715267|2.136746|1.585512|2.360600|1.940573|16.266994|2.545608|3.173414|5.974768|4.842593|4.830670|4.452731|5.718484|6.913728|8.794251|5.506916|17.512414|8.793471|6.915889|5.505128|2.253609|1.473694|1.436864|1.289435|1.698136|1.205299|1.179348|1.161453|1.220460|2.190024|0.058649|0.070183|0.057981|0.040780|0.087721|0.106038|0.106039|0.127621|0.207128|0.141266|0.212658|0.123038|0.141172|0.500000| |2.723021|2.667694|2.238730|1.946834|2.381530|1.747951|2.602396|2.183607|18.355049|3.028992|3.973607|8.034487|5.774285|5.725602|4.461565|4.847580|5.508258|8.797433|6.928674|17.523557|8.797249|5.508704|6.925201|2.573427|1.661166|1.624199|1.439948|1.894179|1.334721|1.306511|1.290292|1.363820|2.455644|0.071088|0.087916|0.068893|0.044452|0.098971|0.106259|0.106226|0.106699|0.141236|0.123114|0.212854|0.141231|0.207142|0.302742|0.500000| |2.396792|2.482870|2.154795|1.865763|2.328589|1.749133|2.646096|2.185800|18.935853|2.901949|3.665525|6.845527|5.610257|5.510518|4.868812|5.517882|4.852087|5.512346|4.852461|8.821147|17.532796|8.824191|8.853825|2.410275|1.564939|1.500599|1.342436|1.746697|1.222938|1.188022|1.182490|1.258272|2.282736|0.063520|0.073885|0.060136|0.044839|0.099185|0.128472|0.106946|0.123430|0.127902|0.106674|0.123411|0.106785|0.127759|0.212643|0.212921|0.500000| |2.219176|2.403158|2.152833|1.854370|2.359324|1.816847|2.800617|2.274265|20.338078|2.874671|3.466041|5.850309|5.843747|5.688987|6.914301|8.793179|5.507189|4.840589|4.438635|5.506420|8.794547|17.514412|6.909103|2.342663|1.523381|1.438158|1.291878|1.666376|1.172781|1.127355|1.114701|1.187829|2.143351|0.057829|0.066410|0.056572|0.046936|0.112312|0.207392|0.141273|0.212999|0.141521|0.123084|0.106664|0.106020|0.105717|0.141312|0.123124|0.212970|0.500000| |2.046615|2.146175|1.915249|1.676701|2.127734|1.615614|2.444318|1.977825|17.026999|2.489698|3.001156|5.259911|4.870017|4.822136|5.511751|8.802582|6.929272|5.723523|4.443476|6.916144|8.787999|17.516162|5.501416|2.155018|1.412912|1.353150|1.221126|1.591128|1.127616|1.092354|1.076885|1.137562|2.044491|0.053403|0.061936|0.052877|0.041885|0.092757|0.141390|0.123225|0.212272|0.208155|0.141515|0.127945|0.106044|0.105783|0.207282|0.141279|0.212299|0.302867|0.500000| |3.473927|3.618221|2.929574|2.431849|2.935013|2.181353|3.344910|2.902405|26.165088|4.465768|6.622051|13.604844|9.452118|8.818930|5.529594|4.845122|4.438862|5.701027|6.887271|6.902278|8.791561|5.508461|17.606267|3.120725|1.960332|1.864330|1.626280|2.094709|1.451254|1.398487|1.390836|1.500121|2.727564|0.090297|0.111819|0.083089|0.054520|0.144153|0.142267|0.123461|0.106855|0.105746|0.105688|0.127618|0.140983|0.205742|0.141148|0.207001|0.213632|0.141427|0.123061|0.500000| |3.010980|3.345296|2.854041|2.359279|2.921046|2.237143|3.514487|2.992260|28.502063|4.273191|5.707874|9.556999|9.638731|8.839551|6.989022|5.746778|4.454317|4.844921|5.509257|5.502910|8.780549|6.930334|17.520910|2.946874|1.864552|1.741542|1.533672|1.958407|1.358946|1.299254|1.291521|1.395385|2.536473|0.078196|0.091582|0.073386|0.056381|0.161405|0.210732|0.142354|0.128685|0.106051|0.106071|0.106755|0.123548|0.141119|0.123010|0.141174|0.212528|0.207743|0.141351|0.302667|0.500000| |7.836129|6.672011|7.276768|9.479626|8.208873|4.458732|5.530810|4.807894|26.537397|4.536130|3.615004|6.357334|4.024280|2.467038|2.163581|1.873850|1.852379|2.030530|2.414594|1.936629|1.960041|1.798193|2.298154|26.162897|9.094600|7.535092|4.739933|5.274226|3.297892|2.858640|2.813437|3.430262|6.168489|0.245538|0.153050|0.246328|0.102321|0.080814|0.059293|0.061017|0.048385|0.046762|0.051883|0.054711|0.068444|0.072378|0.048534|0.056244|0.051755|0.049319|0.045609|0.068263|0.062896|0.500000| |3.703711|3.745178|4.660812|7.054073|10.055449|4.971945|5.292508|3.863241|20.674955|3.025356|2.499365|4.259865|3.018413|1.908495|1.762046|1.552344|1.526393|1.617292|1.858625|1.538236|1.564137|1.481314|1.778958|12.538224|17.620973|8.832630|6.834284|6.290800|3.956678|3.084113|2.963899|3.679998|6.324440|0.105056|0.085531|0.114544|0.125816|0.062866|0.048933|0.050382|0.041042|0.039053|0.043212|0.043765|0.053359|0.053829|0.039316|0.043831|0.041504|0.041014|0.038056|0.051274|0.049405|0.182773|0.500000| |3.786026|3.783735|4.619247|6.776771|9.102707|4.667008|5.111649|3.794002|20.581457|3.046150|2.527352|4.389675|3.000233|1.901748|1.735159|1.533934|1.499299|1.601598|1.834539|1.549929|1.587547|1.487580|1.813405|12.368438|17.535047|8.820701|6.919502|6.306388|3.642481|2.984321|3.061483|3.991616|7.433662|0.115449|0.087060|0.110139|0.117264|0.061469|0.048466|0.048812|0.040351|0.038457|0.041935|0.043153|0.051722|0.053612|0.039578|0.044509|0.042552|0.041369|0.038198|0.052905|0.050690|0.197258|0.303727|0.500000| |4.253980|3.649176|3.844373|4.764087|5.514121|3.176368|3.853770|3.058491|18.113978|2.904725|2.537164|4.602923|2.966933|1.916625|1.715450|1.535065|1.534861|1.672657|1.913625|1.615463|1.614890|1.489746|1.828205|9.674105|8.833325|17.529574|8.930042|9.573063|4.988769|4.175008|4.295528|6.030288|10.803635|0.135578|0.099512|0.131054|0.079461|0.059383|0.046937|0.048187|0.040014|0.039465|0.042927|0.045793|0.053966|0.057194|0.041259|0.047107|0.043257|0.040801|0.038453|0.054200|0.049938|0.220064|0.173271|0.210071|0.500000| |4.104314|3.595982|3.856045|4.849120|5.714951|3.271522|3.929429|3.089624|18.137878|2.875279|2.498413|4.432700|2.974334|1.917241|1.736805|1.549574|1.559539|1.684907|1.933768|1.597072|1.585642|1.479737|1.787327|9.707415|8.875715|17.525680|8.833764|9.550722|5.921682|4.460516|4.036936|5.093569|8.039758|0.118520|0.096517|0.137195|0.082145|0.060460|0.047250|0.049566|0.040596|0.040002|0.044176|0.046364|0.055625|0.057213|0.040839|0.046142|0.042040|0.040369|0.038216|0.052267|0.048574|0.198296|0.212737|0.173455|0.302109|0.500000| |2.781961|2.640780|2.948743|3.716991|5.069041|2.996126|3.474762|2.558666|15.034410|2.235906|1.962808|3.448226|2.406422|1.575575|1.460851|1.319074|1.314475|1.395160|1.566112|1.337117|1.341443|1.269170|1.491037|6.319132|6.912198|8.818118|17.542526|12.570243|7.203852|4.669447|4.428171|5.867175|8.994594|0.080827|0.067910|0.085489|0.080148|0.049420|0.040266|0.041555|0.034981|0.034068|0.037145|0.038265|0.044746|0.045573|0.034589|0.038314|0.035903|0.034959|0.033026|0.043137|0.041089|0.117064|0.205457|0.172995|0.174095|0.210008|0.500000| |2.841054|2.670144|2.948396|3.679539|4.914197|2.915700|3.419018|2.542335|15.040695|2.255701|1.987531|3.539299|2.408836|1.579462|1.451304|1.313019|1.302922|1.392289|1.560231|1.351731|1.362455|1.278273|1.518453|6.322268|6.865097|8.854121|17.613363|12.620853|5.696172|4.363194|4.792597|7.470341|13.537998|0.086116|0.069268|0.084398|0.077371|0.048938|0.040148|0.040822|0.034676|0.033818|0.036486|0.038062|0.044007|0.045724|0.034940|0.038983|0.036742|0.035307|0.033251|0.044332|0.041998|0.121679|0.168089|0.206821|0.215087|0.173602|0.302286|0.500000| |2.658847|2.397272|2.501616|2.905388|3.732986|2.321083|2.848035|2.167851|13.401859|2.059410|1.874913|3.350208|2.312791|1.542327|1.425147|1.302005|1.323869|1.415257|1.577516|1.344413|1.321038|1.245751|1.449732|4.839434|4.222274|5.855757|6.806975|12.356328|17.575312|8.692889|5.738964|5.982278|7.938049|0.075597|0.067297|0.084305|0.061201|0.047092|0.038662|0.040737|0.034446|0.034444|0.037630|0.039443|0.045442|0.046231|0.034925|0.038708|0.035224|0.033900|0.032620|0.042033|0.039301|0.098333|0.117696|0.101781|0.140075|0.194125|0.191413|0.139556|0.500000| |2.230643|2.067422|2.188100|2.543176|3.390309|2.140787|2.607613|1.943328|12.032637|1.807135|1.648837|2.938579|2.052418|1.376921|1.283352|1.179192|1.191252|1.264144|1.394983|1.211120|1.198040|1.135408|1.307398|4.094093|3.675342|4.702100|6.519507|12.354611|17.503494|8.702364|6.451773|6.424774|8.354830|0.064068|0.056789|0.068426|0.057698|0.041890|0.035066|0.036529|0.031355|0.031159|0.033739|0.035114|0.039922|0.040623|0.031630|0.034770|0.032140|0.031064|0.029837|0.037786|0.035704|0.081456|0.104306|0.094565|0.114950|0.134588|0.198452|0.147206|0.301798|0.500000| |2.424806|2.128601|2.134909|2.372306|2.996998|1.913546|2.413894|1.862820|11.911100|1.860315|1.745260|3.193474|2.150741|1.460443|1.339593|1.240290|1.272126|1.373451|1.511795|1.318104|1.282298|1.198656|1.392382|3.862750|3.157156|4.203376|4.593831|9.117896|8.832195|17.568218|8.827706|6.548171|8.539616|0.070328|0.063364|0.074832|0.050333|0.043157|0.036153|0.037936|0.032685|0.033333|0.035913|0.038604|0.043097|0.044757|0.034425|0.038320|0.034428|0.032464|0.031583|0.040723|0.037501|0.082417|0.083319|0.080364|0.117864|0.127425|0.115346|0.108790|0.223906|0.174913|0.500000| |2.037990|1.846065|1.883806|2.100635|2.733476|1.766823|2.215765|1.678797|10.726616|1.637165|1.533561|2.778667|1.914126|1.305101|1.211708|1.126709|1.150466|1.228805|1.341309|1.181651|1.155562|1.089677|1.247386|3.329438|2.775268|3.494784|4.130591|7.964419|8.700471|17.600215|8.658845|5.731857|7.586420|0.058696|0.053303|0.061975|0.047258|0.038676|0.032872|0.034351|0.029890|0.030276|0.032510|0.034460|0.038242|0.039307|0.031028|0.034131|0.031102|0.029634|0.028811|0.036216|0.033798|0.069007|0.075626|0.072306|0.094279|0.102059|0.110728|0.101257|0.191567|0.219770|0.302197|0.500000| 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