Version2.1 2020-12-31T01:55:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c(c3c(s2)C[NH+](CC3)C)C(=O)NC C08920171 RHF 6-31G(d) (6D,7F) CCCCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c(c3c(s2)C[NH+](CC3)C)C(=O)NC C01[X(C23H33N4O4S2)] 192 C1 569 CCCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)NC)CC[NH+](C2)C)CC CCCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)NC)CC[NH+](C2)C)CC CCCCN(CC)[S](=O)(=O)c1ccc(cc1)C(=O)Nc2sc3C[NH+](C)CCc3c2C(=O)NC InChIKey=JPFCSHDRNYPVQA-UHFFFAOYSA-O InChI=1S/C23H32N4O4S2/c1-5-7-13-27(6-2)33(30,31)17-10-8-16(9-11-17)21(28)25-23-20(22(29)24-3)18-12-14-26(4)15-19(18)32-23/h8-11H,5-7,12-15H2,1-4H3,(H,24,29)(H,25,28)/p+1 InChI=1/C23H32N4O4S2/c1-5-7-13-27(6-2)33(30,31)17-10-8-16(9-11-17)21(28)25-23-20(22(29)24-3)18-12-14-26(4)15-19(18)32-23/h8-11H,5-7,12-15H2,1-4H3,(H,24,29)(H,25,28)/p+1/fC23H33N4O4S2/h24-26H/q+1 CCCCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c(c3c(s2)C[NH+](CC3)C)C(=O)NC C01[X(C23H33N4O4S2)] 192 C01 569 CCCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)NC)CC[NH+](C2)C)CC CCCCN(S(=O)(=O)[C]1[CH][CH][C]([CH][CH]1)C(=O)N[C]1SC2=[C]([C]1C(=O)NC)CC[NH](C2)C)CC CCCCN(CC)[S](=O)(=O)[C]1[CH][CH][C]([CH][CH]1)C(=O)N[C]2SC3=C(CC[NH](C)C3)[C]2C(=O)NC InChIKey=RXJGVSSPOPEOSW-UHFFFAOYSA-N InChI=1S/C23H33N4O4S2/c1-5-7-13-27(6-2)33(30,31)17-10-8-16(9-11-17)21(28)25-23-20(22(29)24-3)18-12-14-26(4)15-19(18)32-23/h8-11,26H,5-7,12-15H2,1-4H3,(H,24,29)(H,25,28) InChI=1/C23H33N4O4S2/c1-5-7-13-27(6-2)33(30,31)17-10-8-16(9-11-17)21(28)25-23-20(22(29)24-3)18-12-14-26(4)15-19(18)32-23/h8-11,26H,5-7,12-15H2,1-4H3,(H,24,29)(H,25,28)/f/h24-25H 3771.7024496539 -2202.2008435 1-A 28569.7514 131 438 569 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5513.76 5553.38 0.595989 0.628580 0.629525 0.527227 -2201.604855 -2201.572263 -2201.571319 -2201.673616 3.431058D-04 MUNgauss RevisionA2.0 retrievium 31-Dec-2020 DUDE CCCCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c(c3c(s2)C[NH+](CC3)C)C(=O)NC C08920171 RHF 6-31G(d) (6D,10F) C1 493.194324 |X|Y|Z| 49.719040 47.226301 154.489184 71.318398 17 6 7 16 14 2 1 |36.858105| |12.467215|36.858105| |7.477649|12.448466|36.858105| |4.879424|7.515693|12.466048|36.858105| |3.766570|4.938524|7.584785|12.976395|53.358707| |3.330481|4.111665|5.743980|7.553881|17.633981|36.858105| |2.831318|3.470517|4.319121|5.763961|10.363522|12.500018|36.858105| |3.128574|3.841368|5.242697|7.066901|16.019063|7.119844|5.431925|388.023441| |2.585440|3.066593|3.929307|5.019454|10.516298|6.707236|5.815885|94.791559|73.516695| |3.137535|3.908780|4.939741|6.639383|10.489953|5.008827|4.301385|94.769117|13.579598|73.516695| |3.140549|3.584709|4.864567|5.211426|9.442184|5.305622|3.958593|75.821598|13.186323|13.166850|36.858105| |2.761012|3.033580|3.967130|4.104421|7.371365|4.939095|3.741240|49.216136|11.560502|8.861963|13.735980|36.858105| |2.599443|2.733550|3.420529|3.338729|5.468929|3.762468|2.987666|33.536195|7.899657|6.857532|7.962056|13.780385|36.858105| |2.710501|2.783696|3.393494|3.193668|4.910634|3.240245|2.622882|29.771979|6.620900|6.616947|6.893016|7.930402|13.708947|36.858105| |3.064726|3.190286|3.904632|3.640791|5.404263|3.339166|2.696389|33.566935|6.894947|7.945775|7.964832|6.860950|7.916812|13.701282|36.858105| |3.350756|3.711260|4.806187|4.723286|7.231497|4.087653|3.214339|49.321229|8.937016|11.695436|13.749092|7.902814|6.858109|7.924639|13.770691|36.858105| |2.397668|2.386710|2.782000|2.589208|3.855760|2.630692|2.202325|22.420573|5.171739|5.146748|4.476219|5.088394|7.742251|12.755927|7.516364|5.020826|36.858105| |2.241160|2.211741|2.559296|2.380112|3.553869|2.506610|2.114872|20.089816|4.757691|4.544016|3.820717|4.528149|6.717600|8.043319|5.307768|4.012348|15.932140|73.516695| |2.261167|2.232952|2.525721|2.357228|3.418015|2.300352|1.968330|19.948234|4.577950|4.785267|3.777639|3.973979|5.239010|7.822850|6.537673|4.456531|13.837054|15.123749|53.358707| |2.019338|1.967454|2.172686|2.027647|2.902550|1.986441|1.731150|16.585912|3.869882|4.011983|2.970032|3.124997|3.919512|5.077400|4.465986|3.380166|7.789480|12.151398|18.815928|36.858105| |1.871630|1.820789|1.972023|1.852231|2.615588|1.782708|1.576698|14.929577|3.487926|3.692107|2.581679|2.641958|3.147161|3.910857|3.712195|2.948923|5.128516|8.161559|10.619752|13.956547|36.858105| |1.701503|1.641565|1.757522|1.649163|2.317956|1.602720|1.431246|13.009799|3.071790|3.204289|2.193403|2.263282|2.653397|3.139012|2.953574|2.440288|4.003539|6.914227|7.095515|8.191506|13.187946|36.858105| |1.690861|1.624773|1.748547|1.634004|2.310136|1.618149|1.441325|12.835535|3.051330|3.112213|2.169714|2.285892|2.716915|3.151037|2.859551|2.368475|4.140508|7.677619|6.798809|7.738717|8.226396|14.205733|36.858105| |1.881156|1.814333|1.994464|1.853477|2.658730|1.868598|1.637338|14.811708|3.515715|3.518793|2.588560|2.806587|3.505829|4.144494|3.514463|2.810681|6.128903|12.467843|9.507259|10.956788|7.359517|7.388646|10.966822|388.023441| |1.536482|1.471174|1.569003|1.469300|2.070101|1.466486|1.318934|11.365099|2.724563|2.751573|1.879408|1.983097|2.308346|2.581447|2.360174|2.015485|3.227103|6.142240|4.933711|4.844252|5.065752|7.551343|12.725038|47.974784|36.858105| |1.409256|1.355243|1.433545|1.353280|1.898479|1.340947|1.217590|10.458548|2.514704|2.558920|1.703167|1.776190|2.027816|2.251923|2.105287|1.827175|2.715860|5.008256|4.198077|3.968245|4.506789|6.783668|7.810243|33.308469|12.697579|53.358707| |1.372565|1.330474|1.413423|1.344479|1.896722|1.339715|1.219470|10.529082|2.546595|2.575912|1.714484|1.794753|2.050222|2.264822|2.106650|1.831548|2.728056|5.015751|4.227278|3.980389|4.550550|6.602268|7.187183|32.482152|9.360533|25.691045|0.500000| |1.449245|1.388820|1.457611|1.371954|1.907400|1.334107|1.211242|10.519962|2.506030|2.604230|1.708583|1.752032|1.982568|2.236689|2.145072|1.860864|2.658280|4.739499|4.232573|3.983826|4.910724|7.634455|6.838180|30.006045|7.701149|17.200939|0.258559|36.858105| |1.548996|1.493915|1.577238|1.488316|2.074161|1.435495|1.297135|11.588824|2.745857|2.886326|1.904732|1.940741|2.211135|2.551231|2.466800|2.106091|3.064559|5.288442|5.151513|5.051719|7.249338|12.633672|7.648762|33.624617|6.343678|10.388566|0.204250|12.510629|36.858105| |1.297827|1.245652|1.309351|1.237798|1.731507|1.231967|1.126399|9.456426|2.284531|2.311372|1.518208|1.583036|1.783438|1.943820|1.825069|1.611718|2.286497|4.253025|3.420275|3.065870|3.340103|4.453706|5.040603|25.655624|7.688430|17.402320|0.259613|7.651630|4.983855|36.858105| |1.872462|1.836673|1.971612|1.868422|2.614245|1.754571|1.562006|15.098370|3.498903|3.830183|2.571288|2.545686|2.926325|3.626608|3.692406|3.000878|4.295629|6.565026|8.474994|7.462348|12.755495|7.425252|5.126208|33.460507|3.755368|4.930924|0.102619|4.156313|6.123605|2.833409|36.858105| |1.798097|1.750745|1.847242|1.746442|2.410762|1.619842|1.454003|13.748827|3.182024|3.524476|2.281702|2.233154|2.506294|3.024623|3.142209|2.646747|3.453396|5.437804|6.257142|5.354851|8.112846|6.492896|4.513471|27.746834|3.527491|4.847589|0.099043|4.362413|6.499682|2.830366|15.875958|73.516695| |1.922660|1.922559|2.088904|2.011491|2.842789|1.884243|1.675609|16.864975|3.903279|4.323156|2.902313|2.836357|3.233391|4.044766|4.232581|3.435931|4.533914|6.629482|8.813274|6.364554|7.834659|5.124704|4.039182|29.002594|3.102833|4.050692|0.085703|3.252386|4.359558|2.416049|13.964477|15.056114|53.358707| |1.852983|1.870619|2.005299|1.957465|2.736522|1.798118|1.620030|16.314917|3.771715|4.306459|2.701570|2.567230|2.798016|3.359447|3.672961|3.187700|3.503463|5.263153|6.080165|4.290381|5.034501|3.851682|3.143018|22.124229|2.562443|3.443332|0.072738|2.793892|3.594942|2.119927|7.826237|12.388848|17.781324|36.858105| |17.534524|8.773811|6.772638|4.507396|4.944799|3.152559|2.647828|22.455925|4.595608|5.681714|3.319450|2.896612|2.782131|2.990869|3.459670|3.701170|2.650561|4.345908|3.432742|2.238154|2.071582|1.867724|1.846704|14.642620|1.662481|2.068079|0.040993|1.572044|1.690951|1.389692|2.077383|3.544883|2.893457|2.037748|0.500000| |17.560780|8.782610|5.458721|4.054387|4.346555|2.869708|2.530381|19.338922|4.081279|4.937639|2.694989|2.394863|2.272216|2.373085|2.662642|2.874188|2.138942|3.572165|2.787218|1.856131|1.743072|1.598521|1.583279|12.341190|1.449595|1.823175|0.036190|1.383083|1.471308|1.240210|1.754203|3.027185|2.438437|1.743111|0.301773|0.500000| |17.540504|8.774005|6.776206|4.502264|4.969922|3.391050|2.860483|21.233755|4.481314|5.138596|3.035318|2.752418|2.611098|2.681332|2.938603|3.154515|2.394723|4.048399|3.029151|1.998370|1.836532|1.682824|1.691522|13.480863|1.546431|1.918727|0.038066|1.438813|1.526380|1.303270|1.810761|3.080257|2.513138|1.760484|0.301572|0.301788|0.500000| |8.866425|17.516099|8.853117|6.904237|6.304439|4.089519|3.617762|25.023323|5.180021|6.284520|3.169773|2.752377|2.469728|2.466272|2.753066|3.170949|2.140824|3.574589|2.723335|1.782373|1.655732|1.506721|1.497176|11.827921|1.367695|1.720895|0.034519|1.290610|1.379332|1.169525|1.665536|2.831035|2.367528|1.697985|0.172998|0.213121|0.210777|0.500000| |8.861061|17.514691|8.851072|6.927602|6.256860|3.693964|3.217488|27.087047|5.359134|7.359070|3.495754|2.896084|2.612240|2.699001|3.163841|3.723152|2.316435|3.773129|3.003060|1.944902|1.820341|1.634004|1.600727|12.583461|1.445381|1.825318|0.036640|1.383349|1.496137|1.230264|1.864086|3.175751|2.674426|1.940255|0.210710|0.212959|0.172952|0.304047|0.500000| |6.871896|8.844864|17.527646|8.862456|9.322575|5.052778|3.786907|39.173954|7.090820|9.367676|5.764843|4.485618|3.927323|4.049196|4.911387|6.200933|3.226522|5.149087|3.978526|2.462476|2.216492|1.946732|1.927239|15.776135|1.707216|2.112951|0.042489|1.584551|1.730352|1.405656|2.220634|3.670486|3.218923|2.251533|0.203710|0.140415|0.169220|0.173603|0.211188|0.500000| |6.863418|8.849496|17.521625|8.838891|9.495274|6.246417|4.499010|33.621965|6.694570|7.408755|4.571947|3.997386|3.483112|3.364441|3.684512|4.327222|2.792904|4.669983|3.384388|2.152959|1.935394|1.739866|1.752350|14.343673|1.581753|1.954059|0.039249|1.448300|1.555259|1.316119|1.903935|3.162819|2.719000|1.894228|0.168718|0.140370|0.203552|0.211796|0.173620|0.303948|0.500000| |4.554174|6.931150|8.844841|17.576368|12.583783|7.332764|6.471297|39.109847|7.846695|9.243236|4.126962|3.467620|2.881959|2.733872|3.025564|3.734976|2.280227|3.788298|2.841013|1.825553|1.678787|1.511997|1.503317|12.028375|1.365123|1.717764|0.034817|1.276631|1.374667|1.162320|1.689385|2.826295|2.456865|1.763547|0.111642|0.109250|0.119687|0.209393|0.173791|0.173718|0.209960|0.500000| |4.522520|6.817255|8.822426|17.663475|12.470042|5.654967|4.795989|49.742459|8.632509|14.496283|5.017684|3.821601|3.151488|3.092394|3.633811|4.805905|2.516190|4.058466|3.184192|2.012695|1.859758|1.647667|1.615580|12.896988|1.448381|1.828362|0.037140|1.370706|1.495414|1.226092|1.905346|3.179098|2.817655|2.046803|0.119589|0.108292|0.110955|0.169439|0.205929|0.212466|0.173388|0.304848|0.500000| |2.984206|3.507069|4.761875|5.637521|12.394546|17.639232|8.872767|49.390180|13.139217|8.274529|5.790877|5.984132|4.369078|3.556144|3.515828|4.214054|2.858804|4.891193|3.329300|2.099801|1.863320|1.672495|1.699366|14.129712|1.536768|1.902973|0.038915|1.381236|1.487218|1.281610|1.816020|2.954963|2.660285|1.844868|0.080412|0.071826|0.085115|0.094946|0.088620|0.125118|0.145146|0.145717|0.127214|0.500000| |3.736898|4.565995|6.447350|7.324536|12.577091|17.591493|8.826158|38.799467|8.772505|7.475383|4.625105|4.391192|3.546403|3.120959|3.202460|3.791540|2.582360|4.422113|3.070796|1.963447|1.759741|1.592402|1.616348|13.281232|1.471294|1.824103|0.037003|1.333143|1.426208|1.235080|1.720566|2.836386|2.484156|1.732899|0.095990|0.088056|0.109402|0.128473|0.108270|0.148985|0.221867|0.207386|0.145842|0.304865|0.500000| |2.974237|3.749892|4.472004|6.183169|9.375175|8.781158|17.562917|34.337458|8.541213|7.394029|3.540876|3.248943|2.665998|2.410216|2.524127|3.004693|2.044982|3.476900|2.523458|1.640692|1.507122|1.371635|1.375550|11.007310|1.261817|1.592065|0.032470|1.169421|1.250713|1.084503|1.502709|2.504882|2.187275|1.566142|0.075741|0.074636|0.082607|0.112742|0.097059|0.105034|0.126052|0.219643|0.144215|0.173190|0.209401|0.500000| |2.548556|3.087803|3.774856|5.043687|9.287578|8.833364|17.609525|41.052406|12.439053|8.138727|4.003538|3.780046|2.982331|2.604114|2.676108|3.208738|2.181816|3.705653|2.668334|1.722117|1.573915|1.424744|1.428989|11.508513|1.305393|1.647048|0.033809|1.203611|1.293498|1.117807|1.567570|2.588811|2.308206|1.648980|0.067335|0.063891|0.070525|0.087783|0.081917|0.095590|0.105426|0.148724|0.125436|0.213002|0.173268|0.300796|0.500000| |2.600222|3.074842|3.705711|4.516164|7.566987|8.861780|17.545255|30.541765|8.363222|6.198809|3.424497|3.388952|2.788655|2.434309|2.448789|2.827935|2.084045|3.614112|2.528257|1.649956|1.501691|1.374439|1.393259|11.251931|1.283938|1.611683|0.032929|1.172013|1.247272|1.100629|1.476592|2.446914|2.139933|1.513157|0.067468|0.065139|0.074381|0.089853|0.078471|0.091337|0.110993|0.139863|0.106253|0.213355|0.213932|0.301716|0.300629|0.500000| |2.555687|2.830445|3.658081|3.925807|7.342942|5.427981|4.166747|47.025089|13.166724|8.152072|8.914369|17.763639|8.923317|5.643641|4.950095|5.636354|4.146495|6.946398|4.535485|2.732520|2.345516|2.051364|2.087174|17.986762|1.841818|2.256978|0.046650|1.624281|1.779618|1.492738|2.255567|3.556822|3.386428|2.280590|0.072890|0.062159|0.071527|0.073133|0.074599|0.109153|0.104648|0.095318|0.099960|0.200668|0.129192|0.096742|0.118960|0.106440|0.500000| |2.343288|2.433064|2.971761|2.903709|4.702822|3.401176|2.777200|27.708698|6.891143|5.744088|5.653640|8.916356|17.756173|8.933584|5.644714|4.947344|7.249789|13.272386|6.624826|3.848955|3.063544|2.644801|2.774805|25.977458|2.384067|2.824507|0.058499|1.992421|2.196356|1.832276|2.773506|4.231660|4.085973|2.580659|0.068970|0.057535|0.066235|0.062057|0.064283|0.091957|0.085678|0.071525|0.075770|0.111115|0.090140|0.068591|0.077010|0.073784|0.214461|0.500000| |3.053450|3.091946|3.604045|3.291654|4.651607|2.894613|2.398444|27.841593|5.791126|6.980313|5.673264|4.946368|5.621298|8.841742|17.719957|8.989909|6.847403|8.658933|9.686214|4.887610|4.179784|3.234058|3.046544|25.931587|2.477634|3.022822|0.061353|2.308012|2.697118|1.908357|4.303278|6.498187|6.699579|4.224994|0.098058|0.074680|0.080227|0.073677|0.086638|0.125465|0.093344|0.077097|0.093020|0.082858|0.078290|0.063464|0.065949|0.060863|0.107484|0.123814|0.500000| |3.579257|4.063363|5.094629|5.071827|7.125168|3.864001|3.129620|47.229055|8.252696|13.525183|8.926741|5.637515|4.948042|5.637801|8.910302|17.764318|4.080474|5.955986|5.248269|3.045925|2.752111|2.296421|2.200444|18.020007|1.887837|2.358301|0.048131|1.784852|2.019217|1.535504|2.881971|4.620764|4.489191|3.186614|0.110617|0.085805|0.090388|0.094642|0.118470|0.184987|0.119805|0.109592|0.154129|0.105669|0.100033|0.083593|0.086841|0.075637|0.124191|0.107492|0.216681|0.500000| |2.319566|2.311362|2.604580|2.448250|3.521682|2.320204|1.991148|20.936895|4.730484|5.156052|3.962079|3.959651|4.939475|7.433759|7.395141|4.928564|9.267029|10.862514|26.031815|9.434181|7.284452|4.755592|4.282969|37.504070|3.210253|3.867388|0.079741|2.946721|3.648430|2.336554|7.052952|9.033547|11.382446|5.529792|0.072285|0.058459|0.062461|0.057162|0.064338|0.084527|0.069877|0.059780|0.068574|0.067809|0.062728|0.052387|0.055366|0.051710|0.091312|0.121720|0.249182|0.120959|0.500000| |1.560514|1.479505|1.567323|1.455834|2.036449|1.445543|1.299373|11.058900|2.638516|2.678006|1.818813|1.908916|2.204935|2.460550|2.272095|1.952224|3.027355|5.768480|4.541955|4.284486|4.395943|6.073501|8.801522|41.406708|17.586080|12.423484|0.182466|6.878371|5.394407|7.257473|3.390964|5.802026|3.837756|2.369892|0.046955|0.041011|0.043794|0.038225|0.040257|0.047271|0.044034|0.037664|0.039759|0.041899|0.040553|0.034640|0.035547|0.035194|0.049300|0.062966|0.066464|0.051039|0.082746|0.500000| |1.481651|1.425901|1.528285|1.438623|2.041482|1.458581|1.314911|11.201979|2.710496|2.690734|1.848033|1.975524|2.304679|2.523766|2.269246|1.952768|3.146205|6.170897|4.632932|4.374471|4.322986|5.739894|8.840054|45.340305|17.604540|12.377183|0.229080|5.621533|4.881206|7.050524|3.292378|5.419283|3.859375|2.363619|0.044234|0.038767|0.041616|0.036986|0.038773|0.045956|0.043025|0.037239|0.039237|0.042691|0.040611|0.034814|0.036187|0.035713|0.051420|0.067255|0.065005|0.050497|0.083083|0.301639|0.500000| |1.497697|1.421825|1.484115|1.385296|1.913898|1.339105|1.213090|10.464248|2.478868|2.589761|1.697481|1.733978|1.957498|2.213732|2.135863|1.854362|2.619735|4.682672|4.127100|3.825417|4.550484|6.634823|6.336160|29.289690|7.275831|12.446567|0.182393|17.617372|8.778604|6.895066|3.868986|7.306069|4.143889|2.633671|0.045266|0.039785|0.041388|0.036662|0.039253|0.044820|0.041042|0.035834|0.038362|0.038384|0.037375|0.032613|0.033335|0.032624|0.044595|0.054457|0.064142|0.049550|0.079680|0.213752|0.145753|0.500000| |1.350869|1.298292|1.355722|1.282892|1.779896|1.246322|1.139178|9.811656|2.345818|2.439479|1.574865|1.608373|1.798370|2.006317|1.939829|1.706819|2.333219|4.144311|3.662187|3.312631|4.013280|5.555407|4.991178|24.402279|5.625554|12.343087|0.217681|17.632904|8.787812|7.342239|3.628903|6.942588|3.990613|2.605719|0.040511|0.035989|0.037189|0.033648|0.036028|0.040719|0.037349|0.033292|0.035700|0.035752|0.034547|0.030624|0.031505|0.030646|0.041664|0.050154|0.057735|0.045773|0.071958|0.144385|0.126694|0.300914|0.500000| |1.467192|1.428213|1.510638|1.440247|2.016077|1.395621|1.268192|11.351623|2.709275|2.835383|1.853881|1.890304|2.139785|2.441267|2.360747|2.036394|2.887977|4.962716|4.812080|4.543989|6.355295|8.886427|6.073683|29.587684|5.251782|8.960521|0.202728|8.833659|17.528645|4.582482|5.894924|10.982730|6.021477|3.734034|0.044245|0.038750|0.040073|0.036750|0.039860|0.045873|0.041275|0.037011|0.040334|0.040219|0.038303|0.033938|0.035309|0.033866|0.048385|0.059160|0.071017|0.054311|0.096176|0.122033|0.121674|0.173422|0.219649|0.500000| |1.590884|1.528238|1.600514|1.505089|2.078813|1.428927|1.291702|11.590479|2.724059|2.914988|1.894916|1.902489|2.143761|2.491371|2.470183|2.119145|2.925112|4.946748|4.938259|4.618057|6.620020|8.903745|5.844661|29.145722|4.932613|7.609677|0.146056|8.948839|17.639842|4.134661|6.473594|14.258344|6.079779|3.808904|0.048474|0.042147|0.043287|0.039084|0.042741|0.048877|0.043579|0.038580|0.042215|0.040859|0.039484|0.034757|0.035738|0.034390|0.048290|0.058373|0.076297|0.057130|0.100264|0.126309|0.109294|0.219328|0.205535|0.305485|0.500000| 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|1.228703|1.183409|1.239709|1.177761|1.645009|1.168730|1.074016|9.003697|2.179524|2.211879|1.434462|1.487955|1.661571|1.804682|1.709626|1.521867|2.091803|3.843575|3.136573|2.764569|3.061741|3.968025|4.194843|22.105602|5.600931|12.319744|0.225367|6.995382|4.705838|17.649439|2.692654|4.859884|3.150297|2.067000|0.036462|0.032727|0.034161|0.030926|0.032588|0.036877|0.034496|0.030780|0.032522|0.033695|0.032466|0.028780|0.029680|0.029133|0.039074|0.047222|0.049691|0.040495|0.060404|0.145504|0.145199|0.167050|0.222039|0.126747|0.110882|0.299221|0.500000| |1.317511|1.255575|1.312854|1.233734|1.716208|1.221431|1.115779|9.306497|2.238218|2.276508|1.490462|1.547419|1.737056|1.896556|1.792176|1.586007|2.217959|4.122100|3.299345|2.926164|3.159153|4.135667|4.672079|24.467657|6.924552|12.336244|0.181203|7.035503|4.578212|17.648457|2.701783|4.856716|3.129185|2.029023|0.039234|0.035062|0.036818|0.032745|0.034396|0.039115|0.036710|0.032222|0.033901|0.035178|0.034168|0.029917|0.030647|0.030301|0.040498|0.049371|0.052244|0.042112|0.062742|0.215810|0.168947|0.207983|0.184834|0.112509|0.110893|0.299092|0.299278|0.500000| |1.870529|1.886056|2.075072|2.017729|2.900068|1.935619|1.720424|17.413169|4.091686|4.395860|3.034057|3.037973|3.525986|4.367599|4.345477|3.510116|4.982354|7.261989|9.590384|6.701360|7.411021|4.954030|4.082062|30.559805|3.130428|4.040800|0.087046|3.125513|4.091698|2.411427|9.481794|11.063942|25.985380|9.107235|0.056984|0.048199|0.050222|0.047616|0.053211|0.065002|0.055477|0.050317|0.057356|0.056364|0.051761|0.045484|0.048603|0.044929|0.074111|0.091940|0.133081|0.091168|0.241207|0.077792|0.081211|0.080359|0.078263|0.117683|0.110951|0.063976|0.063977|0.063054|0.500000| 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