Version2.0 2020-08-10T01:59:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 22-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+]1CC[C@@H](C1)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCOCC4 C39689921 RHF 6-31G(d) (6D,7F) C[NH+]1CC[C@@H](C1)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCOCC4 C01[X(C21H38N4O3)] 192 C1 496 C[NH+]1CC[C@@H](C1)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)C1CCOCC1 C[NH+]1CC[C@@H](C1)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)C1CCOCC1 C[NH+]1CC[C@H](CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCOCC4)C1 InChIKey=PJYAZTOTNSUTPH-AEFFLSMTSA-P InChI=1S/C21H36N4O3/c1-24-9-2-16(13-24)12-23-19(26)18-14-25(15-21(18)5-7-22-8-6-21)20(27)17-3-10-28-11-4-17/h16-18,22H,2-15H2,1H3,(H,23,26)/p+2/t16-,18+/m1/s1 InChI=1/C21H36N4O3/c1-24-9-2-16(13-24)12-23-19(26)18-14-25(15-21(18)5-7-22-8-6-21)20(27)17-3-10-28-11-4-17/h16-18,22H,2-15H2,1H3,(H,23,26)/p+2/t16-,18+/m1/s1/fC21H38N4O3/h22-24H/q+2 C[NH+]1CC[C@@H](C1)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCOCC4 C01[X(C21H38N4O3)] 192 C01 496 C[NH+]1CC[C@@H](C1)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)C1CCOCC1 C[NH]1CC[C@@H](C1)CNC(=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)C1CCOCC1 C[NH]1CC[C@H](CNC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)C4CCOCC4)C1 InChIKey=YCFXNPAVCZYQQQ-AEFFLSMTSA-N InChI=1S/C21H38N4O3/c1-24-9-2-16(13-24)12-23-19(26)18-14-25(15-21(18)5-7-22-8-6-21)20(27)17-3-10-28-11-4-17/h16-18,24H,2-15,22H2,1H3,(H,23,26)/t16-,18+/m1/s1 InChI=1/C21H38N4O3/c1-24-9-2-16(13-24)12-23-19(26)18-14-25(15-21(18)5-7-22-8-6-21)20(27)17-3-10-28-11-4-17/h16-18,24H,2-15,22H2,1H3,(H,23,26)/t16-,18+/m1/s1/f/h23H 2959.0692169431 -1259.3043202 1-A 13224.2701 107 389 496 |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| -20.72716 -20.69229 -20.68705 -15.93325 -15.91199 -15.78768 -15.76343 -11.55111 -11.52354 -11.52200 -11.51297 -11.50473 -11.49729 -11.49523 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5353.39 5573.69 0.649874 0.675509 0.676453 0.591692 -1258.654446 -1258.628811 -1258.627867 -1258.712628 2.842898D-04 MUNgauss RevisionA2.0 retrievium 10-Aug-2020 DUDE C[NH+]1CC[C@@H](C1)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCOCC4 C39689921 RHF 6-31G(d) (6D,10F) C1 394.294391 |X|Y|Z| 87.028459 68.516073 30.914092 56.911944 25 6 7 8 20 4 1 |36.858105| |12.778593|53.358707| |9.399006|25.730833|0.500000| |7.516469|17.044710|0.257256|36.858105| |5.127680|10.639199|0.181551|12.388500|36.858105| |5.088811|10.941244|0.198499|7.785393|12.374054|36.858105| |4.599335|9.641786|0.206432|6.651548|8.812574|17.503466|0.500000| |7.560585|17.290845|0.260218|7.883266|7.970957|12.474011|0.247928|36.858105| |3.819583|6.882069|0.128105|4.981234|7.327607|12.418130|0.247124|7.477787|36.858105| |3.072225|5.340350|0.104102|4.130549|6.010463|7.648105|0.197099|4.960860|13.139842|53.358707| |2.761509|4.639551|0.089329|3.803252|5.487301|5.668206|0.143206|4.022455|7.732783|19.187627|36.858105| |2.845124|4.691025|0.087619|3.972562|5.747968|5.343379|0.126765|4.001673|6.815101|11.573986|15.818667|73.516695| |2.321301|3.800017|0.075364|3.093646|4.093683|4.140700|0.113462|3.139563|5.001676|10.680353|12.473678|14.103134|36.858105| |2.204600|3.584840|0.072054|2.819846|3.614827|3.871260|0.109244|2.996456|4.767718|10.141575|8.853768|10.536549|17.559976|0.500000| |2.348515|3.878884|0.078334|3.264155|4.248820|4.035776|0.115436|3.052530|4.316309|8.223721|7.744675|10.714282|12.384914|0.241861|36.858105| |2.284123|3.696233|0.073320|3.218219|4.103416|3.606777|0.098868|2.832615|3.751790|6.475387|6.397071|10.803623|8.137704|0.160971|13.123220|53.358707| |2.085908|3.294009|0.064523|2.796481|3.497365|3.166336|0.084517|2.571139|3.463025|5.885564|6.090259|11.135855|7.852748|0.156937|7.921619|17.756850|36.858105| |2.039480|3.230049|0.063560|2.641144|3.331095|3.234113|0.086881|2.608306|3.776793|6.855717|7.338663|11.688668|12.263282|0.240906|7.937633|10.828370|12.250484|36.858105| |1.784911|2.787588|0.055734|2.234909|2.704443|2.678824|0.074061|2.222510|3.046066|5.319226|4.887318|7.688777|7.579087|0.203131|6.257666|7.966227|7.431934|12.283075|36.858105| |1.598845|2.448006|0.048766|1.956794|2.304499|2.255993|0.061786|1.930123|2.524268|4.161265|3.704062|6.258694|4.873926|0.129928|4.328300|6.110259|5.947606|7.381853|12.490593|36.858105| |1.578282|2.394397|0.047263|1.896493|2.228559|2.199983|0.059253|1.909029|2.510798|4.049381|3.593705|6.281377|4.357583|0.116913|3.635067|5.133752|5.038207|6.402453|7.668946|12.663437|53.358707| |1.471252|2.209724|0.043635|1.746801|2.020470|1.983887|0.053445|1.746923|2.230756|3.510983|3.046758|5.415062|3.561876|0.095687|3.103821|4.454506|4.236305|4.882711|5.666894|9.174263|25.660907|0.500000| |1.556150|2.359420|0.046698|1.844247|2.163628|2.179747|0.058933|1.898572|2.520663|4.069429|3.517302|6.003276|4.232428|0.119508|3.438993|4.636904|4.298661|5.722996|6.983365|9.188117|25.661412|0.328657|0.500000| |1.733528|2.636121|0.051350|2.109019|2.517707|2.452623|0.064595|2.117917|2.841847|4.556481|4.234796|7.856667|4.819398|0.121433|3.854195|5.664139|5.958704|7.436954|6.518417|7.614038|17.222271|0.254408|0.255378|36.858105| |1.975097|3.069599|0.059592|2.463854|3.059007|3.020861|0.078916|2.519803|3.652851|6.217416|6.323171|11.386179|7.343150|0.174517|5.012098|6.998890|7.366275|12.358229|7.632986|6.498266|10.447666|0.157432|0.194960|12.503807|36.858105| |2.471576|4.008123|0.079195|3.666911|4.578704|3.707390|0.100960|2.948758|3.593375|5.735435|5.216526|9.521989|5.490055|0.119279|7.823115|18.923062|7.607369|5.187910|4.127584|3.459307|4.135950|0.075839|0.077011|3.372783|3.960611|36.858105| |2.747905|4.572848|0.091827|4.318151|5.351465|4.174602|0.117146|3.264852|3.783870|5.872604|4.907399|8.608569|4.892487|0.111727|7.043008|11.584701|5.342874|4.240833|3.519310|2.943254|3.567382|0.065855|0.067983|2.860489|3.365894|15.820153|73.516695| |2.288617|3.573637|0.069740|3.258081|3.811577|3.076493|0.081991|2.586776|2.988333|4.521470|4.026279|7.875388|4.102329|0.093197|4.981846|10.442303|6.419457|4.291767|3.533660|3.208292|3.936647|0.074216|0.072087|3.254426|3.575104|12.539990|14.261587|36.858105| |2.539983|3.916860|0.074317|3.675960|4.241227|3.263868|0.083725|2.809381|3.129164|4.494431|3.941907|8.292872|3.665513|0.084378|4.070818|7.464499|5.088634|3.755945|3.027269|2.786252|3.599079|0.068335|0.066745|3.075803|3.390316|7.584803|11.098104|12.366089|36.858105| |2.251369|3.340400|0.063676|3.023775|3.272205|2.636001|0.068217|2.370769|2.538654|3.576233|3.035498|6.231006|2.885441|0.068858|3.123190|5.411739|3.921876|3.038805|2.571861|2.469578|3.236086|0.063004|0.059950|2.726693|2.852414|4.942683|7.684505|7.583912|12.482213|36.858105| |2.131914|3.139919|0.060863|2.824209|2.950367|2.404565|0.063592|2.182920|2.272749|3.201680|2.647812|5.218251|2.575594|0.062572|2.870107|4.854586|3.374540|2.669376|2.341778|2.252802|2.900398|0.056838|0.054095|2.365031|2.458637|4.503771|7.365774|6.649867|7.912042|13.667577|73.516695| |1.972348|2.940048|0.057899|2.606782|2.770352|2.306558|0.062160|2.061903|2.198142|3.174254|2.639307|5.060063|2.670114|0.064927|3.071517|5.307154|3.618036|2.798851|2.512524|2.425110|3.038296|0.059584|0.056285|2.423670|2.501069|4.945015|7.865167|7.587440|6.655366|8.147385|24.191331|36.858105| |2.134956|3.274358|0.064986|2.952231|3.238849|2.660439|0.072552|2.304032|2.517178|3.723138|3.131376|5.889928|3.226589|0.076996|3.950257|7.179226|4.437204|3.303673|2.926133|2.719639|3.316676|0.063776|0.061492|2.635642|2.810405|7.589591|11.695769|12.377247|7.586732|6.650761|14.031631|12.490359|36.858105| |17.642943|12.306708|0.224959|5.520424|4.260639|4.584026|0.118943|6.928055|3.599928|3.941901|2.564976|4.624075|2.179426|0.058381|2.182450|2.852177|1.928975|1.914644|1.694648|1.520744|2.049375|0.039039|0.041507|1.641934|1.864906|2.227111|4.362089|2.056703|2.244704|2.006715|3.389512|1.782789|1.924908|0.500000| |17.644545|12.321774|0.224721|6.922576|4.556924|4.272494|0.111814|5.551772|3.272350|3.743656|2.522509|4.616731|2.169114|0.057095|2.236739|2.991831|1.994409|1.924838|1.699224|1.530620|2.043774|0.039048|0.040967|1.639402|1.848676|2.413586|4.812093|2.260125|2.502395|2.247581|3.851493|2.000109|2.152757|0.299166|0.500000| |17.652677|12.336724|0.181750|6.854920|5.001031|4.785380|0.114640|6.886456|3.787839|4.119737|2.775513|5.218324|2.307382|0.060422|2.301127|3.093697|2.109511|2.055907|1.784561|1.609904|2.183446|0.041618|0.043842|1.779894|2.021348|2.456810|4.761919|2.314720|2.628472|2.348197|3.895616|1.998460|2.136567|0.298935|0.299103|0.500000| |7.525400|12.269678|0.185697|17.655423|8.674487|5.855251|0.137338|6.339804|4.278471|4.892622|3.441568|6.645832|2.822970|0.071156|2.938613|4.075913|2.672535|2.492007|2.108379|1.877773|2.501139|0.047346|0.049425|2.059552|2.369624|3.437299|6.932972|3.211669|3.797479|3.207499|5.277107|2.657642|2.921590|0.147818|0.200025|0.219382|0.500000| |6.284038|12.252723|0.241928|17.649192|8.623471|6.099432|0.165162|5.883921|4.166788|5.020527|3.440751|6.237209|2.931891|0.074609|3.214381|4.318385|2.696558|2.515175|2.167474|1.900838|2.474987|0.046685|0.049002|1.994237|2.303403|3.700254|8.076406|3.275974|3.584994|2.979469|5.115928|2.691472|3.082466|0.135317|0.182450|0.151376|0.301767|0.500000| |4.637546|8.425877|0.140517|8.815845|17.606061|8.811951|0.174545|6.706173|7.060720|7.906625|5.791948|12.212568|4.142235|0.099397|4.104315|5.667638|3.719149|3.501443|2.767671|2.387426|3.197427|0.059171|0.062959|2.723238|3.321365|4.608178|8.871885|4.017247|4.762267|3.620156|5.566969|2.872112|3.289376|0.107863|0.114087|0.135348|0.226824|0.177381|0.500000| |4.152996|7.950896|0.150935|8.763599|17.640008|8.658525|0.218580|5.715454|6.183065|8.195410|5.856542|10.472374|4.594963|0.109616|5.182414|6.830353|3.978796|3.665370|2.962161|2.485022|3.196354|0.058884|0.062789|2.630442|3.206713|5.895924|13.458718|4.530034|4.796234|3.537773|5.739705|3.103786|3.800385|0.098737|0.108055|0.110891|0.184965|0.222377|0.303460|0.500000| |6.648583|12.244961|0.232151|5.699914|5.645899|8.580413|0.215121|17.625792|6.385177|6.074026|3.559008|6.118437|2.878542|0.078428|2.780923|3.458547|2.325336|2.399561|2.089466|1.820407|2.453799|0.045945|0.050240|1.973537|2.328280|2.600088|5.081208|2.288735|2.437253|2.093900|3.464797|1.859723|2.066924|0.197801|0.139361|0.161471|0.133255|0.131866|0.136195|0.125410|0.500000| |7.235533|12.380873|0.182847|6.804438|6.951404|8.754258|0.173653|17.594838|6.911330|6.247264|3.897764|7.226951|3.005370|0.079046|2.854654|3.696110|2.532387|2.565418|2.168537|1.907301|2.606347|0.048837|0.052845|2.152519|2.546963|2.818387|5.395092|2.537493|2.824789|2.410710|3.888042|2.037892|2.240259|0.182261|0.145385|0.216629|0.174966|0.139492|0.190556|0.139412|0.299903|0.500000| |3.628198|6.270771|0.120420|4.200009|5.424912|8.840050|0.211331|6.957317|17.578167|12.607636|5.855045|9.108462|4.281719|0.120491|3.688524|4.331684|2.989329|3.327780|2.799347|2.346453|3.200854|0.058370|0.066614|2.610853|3.281955|3.022716|5.639870|2.564935|2.656764|2.219487|3.578313|1.956330|2.212148|0.099158|0.085862|0.098837|0.101823|0.100369|0.143434|0.131003|0.190980|0.177936|0.500000| |3.750838|6.401772|0.114297|4.761799|6.799552|8.812287|0.174002|6.715476|17.629857|12.587994|7.382151|13.745271|4.673168|0.120080|3.939545|4.938076|3.496367|3.771254|2.979356|2.524791|3.500107|0.063686|0.071346|2.995149|3.846539|3.497260|6.338001|3.017082|3.270509|2.666879|4.156999|2.225930|2.505504|0.097107|0.088874|0.108261|0.120758|0.108143|0.213963|0.154738|0.154818|0.201908|0.302606|0.500000| |2.841063|4.879965|0.098567|3.669429|4.962181|6.382191|0.187366|4.418029|9.041681|26.055912|9.382353|10.869431|7.525235|0.232402|6.012940|6.024557|3.969781|4.743622|3.942509|3.035400|3.949540|0.069896|0.082179|3.141637|4.180708|3.859680|7.119077|3.035387|2.932907|2.380731|3.862716|2.185581|2.567973|0.075709|0.071418|0.076426|0.088305|0.094140|0.127973|0.142284|0.116304|0.110686|0.227786|0.181640|0.500000| |2.621779|4.459143|0.091257|3.802484|5.071850|4.792095|0.142867|3.474643|4.814445|9.002853|7.387410|10.229079|8.633897|0.194636|17.700464|12.448799|5.808866|5.663142|4.657721|3.480174|4.134564|0.073670|0.081029|3.238816|4.108193|7.613909|14.943996|4.748159|4.033781|3.071271|5.088683|3.019974|3.910465|0.067263|0.069371|0.070283|0.091971|0.105470|0.128141|0.182881|0.087167|0.087696|0.112273|0.116772|0.184800|0.500000| |2.117389|3.437789|0.070453|2.827422|3.497998|3.406256|0.099727|2.676443|3.603787|6.549955|5.610536|8.090596|8.748911|0.218003|17.575280|12.330537|6.485449|6.791522|6.653914|4.521363|4.908512|0.086106|0.095516|3.600454|4.425462|6.130423|10.118947|4.295357|3.461901|2.781836|4.663621|2.867289|3.644572|0.055253|0.056477|0.057308|0.071142|0.078654|0.093048|0.115202|0.069210|0.069409|0.089288|0.091338|0.141412|0.303820|0.500000| |2.172499|3.405236|0.065611|2.925104|3.668136|3.233079|0.083817|2.658422|3.537449|5.750216|5.987336|12.633742|6.398024|0.132497|6.051391|12.343592|17.640760|8.755931|5.555726|4.902731|6.295759|0.111231|0.110155|6.020904|7.273734|7.089128|9.006696|6.863446|6.092941|4.573426|6.577583|3.800271|4.476231|0.055395|0.057520|0.061893|0.079228|0.077061|0.113174|0.113234|0.065959|0.074129|0.083785|0.103030|0.103830|0.137889|0.136633|0.500000| |1.882387|2.924130|0.057672|2.459108|2.959246|2.695999|0.072800|2.250604|2.895272|4.756546|4.546314|8.248289|5.743786|0.128051|6.089344|12.307884|17.569088|8.643825|7.270261|6.781582|7.236488|0.128379|0.120743|5.817609|6.066821|6.326773|8.163793|6.048660|4.598146|3.801103|5.968529|3.734820|4.477154|0.048587|0.050449|0.052825|0.065882|0.066755|0.086476|0.092543|0.057177|0.061643|0.071133|0.081056|0.091628|0.130454|0.157402|0.301974|0.500000| |1.768668|2.770708|0.055946|2.233510|2.677166|2.628239|0.074011|2.175813|2.896613|5.020960|4.455405|6.952278|6.845177|0.183999|6.917072|8.572406|6.952724|8.688154|17.595621|9.037709|7.633758|0.127308|0.143265|4.889101|5.512265|4.396886|6.707795|3.669448|3.025183|2.567269|4.245420|2.617831|3.116466|0.046585|0.047126|0.048728|0.058159|0.061091|0.074687|0.083012|0.056905|0.058282|0.073923|0.077301|0.105365|0.140246|0.236169|0.140303|0.199860|0.500000| |1.755776|2.739966|0.055030|2.154086|2.595578|2.654461|0.073971|2.212884|3.078388|5.412772|4.719447|7.166969|7.089667|0.226801|5.471568|6.416174|5.460089|8.779034|17.520095|8.922626|9.380616|0.143953|0.204026|5.692596|6.830405|3.521755|5.576938|3.012771|2.662318|2.283837|3.720333|2.217784|2.552844|0.046722|0.046200|0.048606|0.056152|0.057834|0.073148|0.077752|0.058538|0.059815|0.080463|0.082716|0.115330|0.119733|0.163738|0.123478|0.143557|0.304391|0.500000| |1.585119|2.417466|0.048059|1.955553|2.286067|2.189069|0.059743|1.881350|2.400955|3.889577|3.478779|6.067618|4.416263|0.112679|4.188754|6.390320|6.436976|6.577747|8.720212|17.638906|12.454087|0.225821|0.181198|6.942598|5.692823|3.681359|5.431432|3.550408|3.013014|2.702898|4.385640|2.697358|3.006560|0.041650|0.042402|0.044435|0.052498|0.053032|0.066092|0.068941|0.048976|0.051749|0.061428|0.067108|0.077740|0.094258|0.120115|0.147846|0.235720|0.214066|0.173190|0.500000| |1.486785|2.263287|0.045388|1.790977|2.078038|2.054794|0.056845|1.777415|2.278616|3.705908|3.170751|5.301376|4.073627|0.113757|3.739238|5.105280|4.552382|5.416789|8.785238|17.629829|12.356561|0.221979|0.224525|5.583981|4.896279|2.998836|4.661467|2.789994|2.435494|2.193938|3.621803|2.201445|2.447628|0.039508|0.039658|0.041418|0.047682|0.048625|0.059164|0.061998|0.047005|0.048609|0.059717|0.062770|0.076478|0.086023|0.112409|0.107217|0.142296|0.214202|0.217427|0.301888|0.500000| |1.721657|2.607070|0.050681|2.115567|2.505113|2.377022|0.062484|2.061677|2.681671|4.226636|3.933197|7.555152|4.398733|0.107370|3.768294|5.914630|6.511981|6.672594|5.753049|6.968877|12.433653|0.224391|0.181039|17.618293|8.734361|3.594089|5.287035|3.630992|3.409956|3.066693|4.668428|2.703002|2.902848|0.045001|0.045536|0.049232|0.057889|0.055850|0.075725|0.073285|0.052985|0.058278|0.067726|0.078708|0.080329|0.088310|0.097362|0.193232|0.189776|0.128892|0.132438|0.209044|0.143131|0.500000| |1.677079|2.521739|0.048936|1.993609|2.350094|2.312406|0.060495|2.035683|2.692482|4.183859|3.745597|7.055025|4.008240|0.104117|3.241534|4.673476|4.558159|5.437773|4.893388|5.585473|12.358394|0.222485|0.224102|17.630513|8.778524|2.903947|4.486372|2.841764|2.774702|2.513826|3.878374|2.201348|2.347786|0.044336|0.043929|0.048120|0.054488|0.052067|0.071015|0.066955|0.052975|0.058100|0.069702|0.080005|0.080000|0.078240|0.084291|0.132889|0.122897|0.107743|0.127851|0.143149|0.126474|0.301491|0.500000| |1.943913|3.017240|0.058846|2.364763|2.917079|3.000167|0.078910|2.519709|3.743952|6.413128|6.046607|10.081258|6.866163|0.186901|4.534767|5.843539|5.429625|8.812396|6.863444|5.725370|9.458252|0.144753|0.207106|8.915848|17.497902|3.405662|5.361971|3.036432|2.910197|2.482959|3.871603|2.207980|2.468707|0.051541|0.050229|0.055067|0.062737|0.061240|0.086699|0.083554|0.065674|0.070634|0.096435|0.108402|0.123235|0.106536|0.114425|0.145515|0.129379|0.139719|0.201396|0.132227|0.129097|0.173087|0.215567|0.500000| |2.134772|3.317508|0.063415|2.686428|3.382256|3.285379|0.083335|2.744399|4.021790|6.593771|6.919028|14.572379|6.594256|0.150985|4.700920|6.806151|6.859214|8.769535|5.521743|4.868653|7.622011|0.126954|0.143825|8.992276|17.654442|4.070801|6.170752|3.748874|3.749398|3.113924|4.646305|2.593002|2.886275|0.055584|0.055142|0.061415|0.072541|0.068591|0.105762|0.096642|0.069372|0.078452|0.097984|0.123339|0.116799|0.111966|0.110920|0.220026|0.151324|0.122797|0.139693|0.127261|0.107632|0.212152|0.213604|0.304121|0.500000| |2.066671|3.187212|0.062249|2.814153|3.285636|2.765835|0.073681|2.349380|2.777602|4.256804|3.860234|7.555597|4.096656|0.093281|4.752887|10.134785|7.522541|4.662748|3.877671|3.654166|4.446845|0.084322|0.079429|3.694193|3.900887|8.861606|10.459188|17.551138|8.861682|6.862241|10.368451|6.873512|8.897415|0.052200|0.056377|0.058349|0.077366|0.077629|0.097257|0.104842|0.058447|0.064602|0.067105|0.078638|0.079963|0.118695|0.117126|0.226384|0.219140|0.110687|0.089338|0.116912|0.086716|0.119260|0.087949|0.089665|0.111738|0.500000| |2.591987|4.010456|0.074980|3.704807|4.469478|3.480189|0.086980|2.971539|3.462543|4.973743|4.529275|10.291630|4.034205|0.091299|4.205049|7.600230|5.634577|4.202809|3.236301|2.968229|3.934601|0.074009|0.072825|3.499783|3.937600|6.790679|9.796181|8.720164|17.515417|8.830142|10.140700|4.958972|5.491134|0.063849|0.069552|0.075533|0.106586|0.096507|0.148069|0.135326|0.071138|0.084577|0.080579|0.103749|0.087902|0.113406|0.097117|0.207701|0.134530|0.087174|0.079121|0.088211|0.070978|0.107934|0.087897|0.092153|0.126691|0.213421|0.500000| |2.893349|4.511198|0.085010|4.467722|5.021317|3.628492|0.092684|3.131574|3.311650|4.617814|3.889405|8.030202|3.502649|0.081793|3.947261|6.756625|4.325698|3.396736|2.772914|2.510944|3.243728|0.061482|0.061187|2.729929|3.061758|7.092805|12.221313|8.861627|17.563170|8.901248|12.636507|5.828684|6.843555|0.069676|0.079929|0.082835|0.129801|0.122499|0.154333|0.160041|0.074254|0.086675|0.077485|0.095092|0.083502|0.114478|0.093016|0.136448|0.107255|0.077586|0.069137|0.073955|0.061831|0.081752|0.069221|0.074995|0.093772|0.174308|0.301620|0.500000| |2.035426|3.007425|0.057577|2.648190|2.901806|2.416672|0.062749|2.174400|2.388580|3.409229|2.930023|6.006765|2.846948|0.068115|3.020325|5.271595|4.064656|3.119651|2.662219|2.626530|3.469410|0.068278|0.063425|2.942746|2.978067|4.511546|6.774148|6.798600|8.815621|17.463660|16.559342|7.277749|5.812350|0.051033|0.056048|0.058995|0.077147|0.072003|0.089183|0.086476|0.053925|0.061653|0.058532|0.070007|0.063375|0.080338|0.075617|0.133770|0.113351|0.073154|0.065072|0.081281|0.064461|0.094516|0.075307|0.071123|0.089842|0.201548|0.213698|0.173730|0.500000| |2.344049|3.411892|0.064257|3.081157|3.246174|2.610406|0.066719|2.405154|2.498882|3.427525|2.855137|5.918987|2.644242|0.063889|2.792311|4.633781|3.382719|2.744435|2.327322|2.237539|2.987597|0.058363|0.055948|2.528663|2.648599|4.092991|6.664435|5.507025|8.818231|17.616445|16.963003|5.874847|4.966633|0.057715|0.065108|0.068974|0.093658|0.083183|0.101478|0.094245|0.058800|0.068960|0.060932|0.073898|0.063083|0.077266|0.069145|0.109639|0.089842|0.063910|0.058335|0.067014|0.055594|0.077892|0.066036|0.064980|0.081391|0.140064|0.210516|0.215740|0.301633|0.500000| |1.815400|2.695112|0.053040|2.344733|2.522270|2.146050|0.057747|1.920563|2.088530|3.042285|2.555798|4.904378|2.629576|0.064106|2.967480|5.161620|3.711941|2.849568|2.590785|2.568051|3.217710|0.063784|0.058935|2.558085|2.570251|4.504313|6.891013|6.782200|5.805182|7.279236|16.555272|17.473362|8.803671|0.045970|0.050748|0.051290|0.066266|0.066347|0.073271|0.077594|0.048436|0.053028|0.051944|0.059069|0.058351|0.078998|0.077805|0.108506|0.110777|0.074619|0.062954|0.080962|0.064640|0.080769|0.064370|0.062524|0.073425|0.201234|0.129759|0.133888|0.218561|0.148256|0.500000| |1.877314|2.770617|0.055045|2.428013|2.517936|2.123474|0.057795|1.922847|2.006260|2.874541|2.341316|4.417860|2.374179|0.058734|2.730286|4.523100|3.059312|2.455398|2.252865|2.181011|2.731434|0.053869|0.051061|2.144091|2.204802|4.097250|6.873052|5.512307|4.975556|5.881643|16.943256|17.632346|8.828465|0.047325|0.053408|0.052517|0.068694|0.070640|0.071370|0.077784|0.048564|0.052554|0.050118|0.056039|0.055556|0.075501|0.072108|0.087489|0.087892|0.065646|0.055937|0.066802|0.055848|0.065574|0.054557|0.054892|0.063005|0.140263|0.109033|0.130673|0.148215|0.132553|0.301622|0.500000| |2.311869|3.566481|0.071278|3.281038|3.506513|2.821834|0.077647|2.449912|2.586893|3.765775|3.080516|5.730376|3.101819|0.074817|3.837969|6.542856|3.890616|3.040405|2.694150|2.462030|3.025615|0.057989|0.056931|2.396897|2.599612|7.104291|13.088966|8.849815|6.806563|5.791384|12.530070|8.883283|17.598809|0.057433|0.065515|0.063635|0.089612|0.098037|0.096358|0.116219|0.060792|0.065430|0.063061|0.070732|0.072328|0.110831|0.097989|0.108576|0.105258|0.079778|0.066595|0.073896|0.062163|0.071832|0.059930|0.064558|0.074542|0.174603|0.139001|0.200808|0.133474|0.129686|0.173508|0.216162|0.500000| 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