Version2.1 2021-01-14T21:43:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C)[C@H](CNC(=O)CSCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)c4ccccc4Cl C39778313 RHF 6-31G(d) (6D,7F) C[NH+](C)[C@H](CNC(=O)CSCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)c4ccccc4Cl C01[X(C23H28Cl1N4O2S2)] 174 C1 548 O=C(NC[C@H](c1ccccc1Cl)[NH+](C)C)CSCC1=NC(=O)C2=C3[C@H](SC2=N1)CCCC3 O=C(NC[C@H](c1ccccc1Cl)[NH+](C)C)CSCC1=NC(=O)C2=C3[C@H](SC2=N1)CCCC3 C[NH+](C)[C@H](CNC(=O)CSCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)c4ccccc4Cl InChIKey=IQQOVLRPBSFFFM-QZTJIDSGSA-O InChI=1S/C23H27ClN4O2S2/c1-28(2)17(14-7-3-5-9-16(14)24)11-25-20(29)13-31-12-19-26-22(30)21-15-8-4-6-10-18(15)32-23(21)27-19/h3,5,7,9,17-18H,4,6,8,10-13H2,1-2H3,(H,25,29)/p+1/t17-,18-/m1/s1 InChI=1/C23H27ClN4O2S2/c1-28(2)17(14-7-3-5-9-16(14)24)11-25-20(29)13-31-12-19-26-22(30)21-15-8-4-6-10-18(15)32-23(21)27-19/h3,5,7,9,17-18H,4,6,8,10-13H2,1-2H3,(H,25,29)/p+1/t17-,18-/m1/s1/fC23H28ClN4O2S2/h25,28H/q+1 C[NH+](C)[C@H](CNC(=O)CSCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)c4ccccc4Cl C01[X(C23H28Cl1N4O2S2)] 174 C01 548 O=C(NC[C@H](c1ccccc1Cl)[NH+](C)C)CSCC1=NC(=O)C2=C3[C@H](SC2=N1)CCCC3 O=C(NC[C@H]([C]1[CH][CH][CH][CH][C]1Cl)[NH](C)C)CSC[C]1=NC(=O)C2=C3[C@H](S[C]2[N]1)CCCC3 C[NH](C)[C@H](CNC(=O)CSCC1=NC(=O)C2=C3CCCC[C@H]3S[C]2[N]1)[C]4[CH][CH][CH][CH][C]4Cl InChIKey=ZZXMBOYYHWYPCR-QZTJIDSGSA-N InChI=1S/C23H28ClN4O2S2/c1-28(2)17(14-7-3-5-9-16(14)24)11-25-20(29)13-31-12-19-26-22(30)21-15-8-4-6-10-18(15)32-23(21)27-19/h3,5,7,9,17-18,28H,4,6,8,10-13H2,1-2H3,(H,25,29)/t17-,18-/m1/s1 InChI=1/C23H28ClN4O2S2/c1-28(2)17(14-7-3-5-9-16(14)24)11-25-20(29)13-31-12-19-26-22(30)21-15-8-4-6-10-18(15)32-23(21)27-19/h3,5,7,9,17-18,28H,4,6,8,10-13H2,1-2H3,(H,25,29)/t17-,18-/m1/s1/f/h25H 3711.1664002783 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-0.00265 -0.00894 0.99996 1 0.01105 0.00221 0.00196 0.23028 0.04595 0.04090 13.29 21.99 27.15 37.88 50.21 72.26 89.19 104.13 113.09 115.36 127.82 145.36 187.07 207.24 215.34 243.79 253.80 263.14 271.35 284.15 291.09 313.43 349.85 359.80 382.96 389.87 439.99 457.76 489.43 505.22 515.13 558.06 579.30 587.50 597.86 646.76 655.48 681.07 715.57 719.22 723.19 765.10 775.71 785.83 817.33 823.20 901.35 916.93 931.64 949.34 974.26 1029.93 1044.17 1059.15 1084.14 1121.31 1144.45 1180.06 1193.72 1243.83 1257.19 1260.78 1283.87 1297.63 1302.97 1318.70 1327.98 1377.86 1392.19 1427.96 1434.49 1447.70 1451.42 1454.92 1458.78 1480.39 1498.26 1562.20 1570.58 1598.33 1634.97 1639.13 1641.58 1647.13 1648.46 1658.79 1670.95 1689.87 1718.14 1720.23 1743.37 1757.43 1794.41 1802.45 1817.81 1824.28 1844.70 1860.82 1875.81 1903.89 1912.45 1922.40 1945.77 1966.50 1980.09 2005.29 2022.25 2036.71 2039.81 2065.02 2080.72 2086.52 2121.57 2127.57 2142.16 2165.19 2177.88 2194.35 2196.44 2203.41 2231.32 2246.03 2281.99 2308.67 2315.50 2326.64 2336.91 2344.97 2345.19 2347.82 2350.55 2352.50 2356.54 2363.11 2375.40 2375.86 2387.11 2413.69 2417.29 2474.68 2547.04 2569.53 2581.76 2630.03 2739.76 2851.25 4596.19 4607.52 4625.97 4638.53 4659.07 4673.59 4680.35 4692.04 4702.04 4702.83 4712.75 4714.03 4721.18 4746.43 4784.65 4789.24 4795.89 4820.91 4828.61 4840.52 4872.03 4885.63 4898.50 4900.73 4911.34 4916.63 5220.28 5568.44 0.529509 0.558508 0.559452 0.464796 -2508.603064 -2508.574065 -2508.573120 -2508.667776 3.174778D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE C[NH+](C)[C@H](CNC(=O)CSCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)c4ccccc4Cl C39778313 RHF 6-31G(d) (6D,10F) C1 491.134223 |X|Y|Z| 59.705793 31.900051 142.498551 64.744980 26 6 7 16 21 3 2 |36.858105| |12.755380|53.358707| |9.195259|25.609691|0.500000| |7.829058|17.344655|0.263651|36.858105| |7.559299|17.001226|0.255713|7.609535|36.858105| |6.846866|12.571501|0.183467|7.398368|17.674541|0.500000| |4.892232|10.133838|0.198067|6.217226|12.311651|0.250261|36.858105| |4.181309|7.966662|0.182609|4.830150|7.440793|0.154967|13.169228|53.358707| |4.126101|7.737417|0.200838|4.831192|5.841424|0.125659|7.756268|19.273434|36.858105| |4.752378|9.358287|0.273044|6.083801|5.914331|0.128876|6.869233|11.631387|15.715408|73.516695| |3.236447|5.452141|0.134295|3.522635|4.100784|0.093941|5.004160|10.653980|12.580696|14.163900|36.858105| |3.189342|5.018352|0.120165|3.067224|3.880158|0.088834|4.285402|8.306171|7.115448|9.582395|10.439023|388.023441| |2.519615|3.805909|0.088820|2.450266|2.846851|0.068311|3.088878|5.425303|4.618786|6.971587|6.782759|74.812103|36.858105| |2.342480|3.408622|0.077782|2.181781|2.556219|0.062248|2.668527|4.445879|3.578594|5.623060|4.563421|49.783940|12.635838|36.858105| |2.515391|3.594805|0.081295|2.247594|2.727153|0.066144|2.767868|4.535627|3.529411|5.567586|4.201906|48.581592|7.964030|14.936161|53.358707| 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|1.594398|2.140600|0.046009|1.412710|1.582686|0.040844|1.548453|2.293469|1.733669|2.951703|1.872107|15.970108|2.471303|3.062201|4.533327|4.325690|7.936863|5.233068|7.644405|12.363081|36.858105| |1.452931|1.966595|0.042319|1.313204|1.450283|0.037543|1.434102|2.127321|1.616556|2.756095|1.759809|14.691016|2.327313|2.834434|3.997420|3.608066|6.250052|4.578529|6.561700|7.479447|12.450029|36.858105| |1.492706|2.041739|0.044314|1.365977|1.500599|0.038620|1.498785|2.250197|1.730029|2.940458|1.917923|16.024713|2.643206|3.273019|4.428475|3.917923|6.351864|5.407024|7.603227|6.377664|7.528960|12.434383|36.858105| |1.576595|2.180584|0.047482|1.449683|1.621283|0.041490|1.635411|2.487300|1.905160|3.187444|2.146747|18.385949|3.116626|4.049095|5.421111|4.944171|7.563776|7.926050|12.637310|7.464918|6.446634|7.565243|12.380833|36.858105| |1.485118|2.058562|0.044549|1.374343|1.542891|0.039697|1.562864|2.365607|1.792800|2.988329|2.009630|17.015702|2.832576|3.567201|4.798791|4.277109|6.771745|6.200381|9.011755|6.726125|5.680284|6.855888|8.851514|17.551307|0.500000| |1.617058|2.273442|0.050037|1.520399|1.683301|0.042811|1.727063|2.671990|2.083335|3.465500|2.421859|20.513449|3.764350|4.888358|5.819437|4.712987|6.740202|7.167113|7.094277|4.640547|4.120777|4.551914|6.742252|10.439375|0.221210|388.023441| |1.885448|2.667510|0.059330|1.750672|1.985512|0.049767|2.037900|3.219518|2.524131|4.130169|2.999651|27.356998|5.346303|8.531758|9.538397|7.631956|9.366248|13.115209|8.129858|5.006542|4.071788|3.961797|5.092945|7.429127|0.162891|77.803046|36.858105| |2.021247|2.913129|0.065671|1.910277|2.165553|0.053718|2.261051|3.664391|2.936150|4.733809|3.658864|34.011498|7.940183|13.832207|10.816379|6.678970|8.369788|7.875430|5.365803|3.847367|3.248141|3.144556|3.851911|4.980525|0.118604|50.863053|14.904345|53.358707| |6.565066|10.217531|0.185224|4.944729|12.536087|0.248450|7.488008|8.532199|5.013579|8.418363|3.902697|29.665408|3.000791|2.789751|4.219100|2.726523|5.027543|2.263188|1.998453|1.935931|1.748183|1.577974|1.619691|1.760627|0.046515|12.796757|2.153727|3.160304|36.858105| |5.781883|8.460193|0.179389|4.210016|7.497209|0.155692|5.831509|8.247076|5.347634|8.743872|4.420095|37.733812|3.611060|3.403159|5.347315|3.365307|6.234356|2.686581|2.322373|2.232257|1.993044|1.777745|1.832989|2.007438|0.052471|14.583561|2.522697|3.720403|13.664802|36.858105| |4.355444|5.899763|0.123571|3.244250|4.986582|0.116244|4.239536|6.111380|4.075394|6.624805|3.724513|34.387709|3.525188|3.555275|5.934477|3.893895|7.630640|2.989777|2.588315|2.535642|2.224182|1.943461|1.977973|2.180187|0.057054|15.439412|2.698239|3.874719|7.850530|13.785533|36.858105| |3.808722|5.046267|0.100732|2.903112|4.413345|0.110581|3.762959|5.122891|3.316790|5.442441|3.040433|26.442907|2.897203|2.957864|4.821098|3.340832|6.696106|2.656204|2.371718|2.384554|2.097338|1.832553|1.835104|2.012485|0.053468|14.006022|2.382368|3.351149|6.807859|7.972821|13.746177|36.858105| |4.003204|5.340472|0.101480|3.104777|4.991151|0.132391|4.101803|5.175698|3.224555|5.347484|2.850511|23.151594|2.551759|2.529830|3.952011|2.719725|5.278817|2.248716|2.033344|2.037622|1.821083|1.618540|1.623189|1.766370|0.047272|12.410832|2.066352|2.925914|7.865721|6.911555|7.944357|13.783670|36.858105| |5.023032|7.021493|0.126475|3.919178|7.509003|0.202264|5.493546|6.304957|3.762592|6.303002|3.134998|24.147885|2.588423|2.477241|3.769362|2.522648|4.748563|2.113298|1.898405|1.871318|1.688735|1.520118|1.541472|1.672261|0.044604|11.966177|1.986759|2.861811|13.680415|7.998911|6.885918|7.953518|13.750630|36.858105| |4.272928|6.014359|0.104648|3.771680|6.147095|0.209482|4.881861|5.229447|3.150603|5.402513|2.635758|19.193829|2.153639|2.048391|3.031731|2.057062|3.828354|1.778168|1.622931|1.604617|1.466060|1.336546|1.352441|1.455654|0.039126|10.436614|1.693530|2.430510|6.935537|4.741624|4.220076|4.787442|7.105523|10.892155|448.794386| |17.654820|12.357531|0.220131|7.383990|5.545741|0.142930|4.094329|4.975417|3.790839|8.055970|3.055047|21.067302|2.416549|2.247004|3.242884|2.156705|3.903737|1.883683|1.700361|1.647934|1.558925|1.427683|1.470286|1.539720|0.040154|11.266737|1.832053|2.671254|4.853745|4.605599|3.674895|3.218460|3.294820|3.916136|27.786738|0.500000| |17.727310|12.230763|0.219588|5.648701|6.850228|0.163733|4.569905|5.625363|4.069044|7.966266|3.295294|24.441392|2.684681|2.541855|3.801569|2.522813|4.665339|2.134825|1.910204|1.864007|1.736117|1.564607|1.601374|1.694767|0.044181|12.256376|2.032188|2.948973|7.381673|7.243171|5.427253|4.559603|4.593926|5.544865|34.335116|0.300123|0.500000| |17.636380|12.324052|0.179670|7.042596|6.975268|0.205988|4.534701|5.066438|3.535266|6.990339|2.829747|19.849146|2.246478|2.108937|3.082006|2.069586|3.801338|1.797957|1.632553|1.599070|1.499597|1.368574|1.396905|1.472212|0.038769|10.665685|1.731000|2.504703|6.096543|4.953361|3.942079|3.673804|4.069378|5.203547|38.782498|0.299264|0.299973|0.500000| |5.661717|12.257757|0.231330|17.737576|6.871938|0.179191|6.947306|7.403230|5.540324|12.730844|3.899915|22.748254|2.554744|2.227428|3.074514|1.979836|3.464640|1.761585|1.575744|1.493242|1.392569|1.302518|1.363416|1.453943|0.038351|10.957667|1.773062|2.659302|4.511093|3.931391|3.059604|2.730517|2.895168|3.602149|27.948332|0.149974|0.126308|0.142577|0.500000| |7.411144|12.349218|0.224026|17.660614|5.564407|0.148875|4.711483|5.472443|4.253834|9.777782|3.262823|20.368939|2.354541|2.110023|2.943938|1.928613|3.409877|1.718471|1.549177|1.480815|1.397555|1.302003|1.355375|1.427212|0.037454|10.648528|1.713633|2.537758|4.122968|3.731925|2.970492|2.648367|2.770582|3.358294|25.700890|0.235481|0.149413|0.179028|0.302553|0.500000| |6.998226|12.294619|0.182457|17.637779|7.034010|0.227581|5.608986|5.704868|3.977498|8.237807|3.028032|19.254785|2.196548|1.985853|2.799354|1.846833|3.298286|1.639260|1.484570|1.430130|1.339981|1.245612|1.287584|1.363650|0.036094|10.091984|1.621495|2.385720|4.700888|3.826026|3.037889|2.819420|3.110801|3.973131|33.089230|0.176800|0.142266|0.207779|0.297598|0.299426|0.500000| |4.546955|9.432150|0.183251|7.090687|8.750392|0.215353|17.636484|12.507974|6.989117|12.277734|4.613631|26.459535|2.827100|2.429730|3.365975|2.136537|3.729561|1.881206|1.669082|1.575609|1.444143|1.348298|1.412300|1.531045|0.040681|11.561095|1.891693|2.857185|5.476630|4.505840|3.456348|3.119237|3.381530|4.347487|33.646446|0.110547|0.112802|0.118782|0.255743|0.144611|0.176581|0.500000| |4.124883|7.560745|0.143843|4.870631|9.049507|0.228112|17.626518|12.695987|5.779806|8.908200|4.271831|27.398076|2.859021|2.517666|3.574151|2.280150|4.034271|1.977814|1.753922|1.668065|1.508487|1.397531|1.453246|1.590780|0.042554|11.866431|1.957062|2.928481|6.906034|5.215036|4.064070|3.815299|4.335044|5.829299|44.589716|0.096533|0.109583|0.111574|0.146085|0.106914|0.131964|0.305426|0.500000| |3.581873|6.300593|0.139617|3.894965|5.938921|0.132208|9.043449|26.035063|9.415582|10.898911|7.474733|46.567603|4.221021|3.468475|4.831111|2.893240|4.939252|2.465999|2.116149|1.956310|1.736461|1.610000|1.703801|1.905538|0.050627|14.562401|2.485478|3.858637|5.719094|5.727492|4.572188|3.904809|3.894530|4.546159|30.045754|0.087524|0.101003|0.090667|0.118486|0.092628|0.097646|0.186908|0.236148|0.500000| |3.091132|5.086355|0.126651|3.392045|3.606888|0.084395|4.183736|7.849035|9.051558|13.624386|17.649247|55.638994|6.575660|4.420484|5.359654|3.069451|4.898317|2.749245|2.306435|2.039880|1.854424|1.757626|1.932173|2.139126|0.055199|17.408798|2.991401|5.006173|3.391310|3.822099|3.279445|2.702552|2.532302|2.763774|18.985956|0.083576|0.086698|0.074659|0.104183|0.090280|0.080292|0.112125|0.099359|0.147843|0.500000| |2.832419|4.722177|0.110970|3.162230|3.673659|0.086878|4.665485|9.590907|8.853861|10.794584|17.586236|55.502502|6.078602|4.187303|5.155718|2.972810|4.778287|2.657164|2.240782|1.992083|1.781525|1.690387|1.844166|2.076435|0.054626|16.776053|2.868579|4.749884|3.482000|3.782519|3.290577|2.793149|2.660685|2.906794|20.186043|0.074181|0.079338|0.070598|0.098501|0.080854|0.077432|0.122305|0.116330|0.206603|0.299566|0.500000| |2.501108|3.762446|0.088828|2.459836|2.722162|0.065608|2.924530|5.028659|4.483145|7.122141|6.493896|56.054711|17.582686|8.998540|8.445646|4.449755|6.443405|4.119867|3.226300|2.671032|2.383453|2.271115|2.604019|2.984392|0.074516|26.079030|4.937265|9.735971|2.799832|3.322508|3.177954|2.624848|2.341970|2.402231|16.265634|0.067900|0.073343|0.061527|0.071392|0.066750|0.060729|0.075981|0.074080|0.104273|0.202626|0.156282|0.500000| |2.286475|3.478343|0.079844|2.286894|2.643325|0.064326|2.941044|5.144251|4.249542|6.341117|6.261698|55.904346|17.597469|8.986144|8.329522|4.410794|6.367936|4.123619|3.233832|2.667984|2.311878|2.215781|2.523095|3.003000|0.077515|26.370613|4.984156|9.908141|2.747591|3.187311|3.111591|2.646645|2.377376|2.414733|16.475083|0.060838|0.066755|0.057441|0.066984|0.060724|0.057504|0.075633|0.077014|0.114009|0.165231|0.177503|0.302479|0.500000| |1.597687|2.174913|0.046570|1.430019|1.644855|0.042438|1.629438|2.429582|1.804972|3.013315|1.963112|17.038552|2.627178|3.305502|4.976754|4.903972|9.063250|5.967088|9.075605|17.494860|8.826584|6.738050|5.595403|6.731362|0.197605|30.400329|4.401631|4.725192|1.835150|2.087514|2.366077|2.267879|1.958869|1.793064|12.463011|0.042791|0.048277|0.041949|0.039384|0.038812|0.037814|0.041888|0.044649|0.052040|0.052961|0.052643|0.067864|0.069744|0.500000| |1.839175|2.475743|0.053208|1.601440|1.863367|0.047671|1.815771|2.710653|2.019800|3.382597|2.178642|19.482792|2.925578|3.766985|6.114964|6.679197|14.355599|6.997358|8.939277|17.678689|8.723904|5.461477|4.824547|5.492664|0.138956|28.163707|4.603839|5.062764|2.116513|2.468830|2.874809|2.708092|2.268218|2.053714|13.952063|0.049126|0.056481|0.047920|0.043743|0.043506|0.042155|0.046257|0.049361|0.057711|0.058623|0.057266|0.075406|0.074926|0.302035|0.500000| |1.536494|2.049354|0.043724|1.355014|1.519087|0.039448|1.477997|2.167140|1.624928|2.774722|1.733208|14.636260|2.212468|2.674603|3.987187|3.705233|7.071574|4.186286|5.571688|8.862487|17.572465|8.811112|5.487057|4.846350|0.127454|23.938119|3.351019|3.780143|1.682010|1.900663|2.130801|2.043712|1.782849|1.642319|11.512875|0.041681|0.046466|0.040412|0.036974|0.037220|0.035900|0.038310|0.040172|0.045537|0.047504|0.045925|0.059187|0.057794|0.216385|0.209853|0.500000| |1.681156|2.242222|0.048380|1.475388|1.640867|0.042211|1.593996|2.360261|1.799038|3.086460|1.937023|16.543537|2.552275|3.157913|4.700032|4.445509|8.173295|5.182071|6.792051|8.834046|17.529314|8.843920|6.783694|5.644356|0.131213|28.305267|4.072104|4.502345|1.811233|2.080179|2.313875|2.153517|1.862744|1.735430|12.034062|0.045902|0.051055|0.043688|0.040255|0.040748|0.038729|0.041316|0.042830|0.049263|0.053670|0.050682|0.069276|0.065264|0.173687|0.214345|0.303669|0.500000| |1.376951|1.869853|0.040066|1.252637|1.388691|0.036088|1.379016|2.040371|1.538935|2.613250|1.672603|13.879325|2.185483|2.631094|3.699886|3.298090|5.751001|4.116015|5.776651|6.728765|8.833773|17.512499|8.832902|6.828216|0.202769|29.945778|3.617267|3.962682|1.510134|1.687830|1.846168|1.760645|1.564207|1.465357|10.406963|0.037458|0.041051|0.036208|0.034579|0.034383|0.033131|0.036034|0.037551|0.043095|0.046148|0.045004|0.058739|0.058604|0.197626|0.138206|0.214419|0.173537|0.500000| |1.392660|1.875315|0.040272|1.258739|1.374064|0.035700|1.353509|1.994465|1.518969|2.610725|1.641371|13.498506|2.117879|2.519949|3.534080|3.096022|5.418487|3.748703|4.893371|5.468822|8.833380|17.563375|8.863965|5.511041|0.140616|27.276059|3.359422|3.767241|1.486629|1.664381|1.806154|1.707308|1.519260|1.432919|10.178347|0.038216|0.041536|0.036506|0.034612|0.034822|0.033213|0.035508|0.036578|0.041679|0.045792|0.043735|0.058105|0.055970|0.138805|0.122722|0.211325|0.215051|0.303687|0.500000| |1.390145|1.907853|0.041335|1.287195|1.401096|0.036201|1.406702|2.106392|1.620324|2.759894|1.796641|14.711938|2.431497|2.922085|3.868064|3.284052|5.334067|4.338127|5.540723|4.795482|5.482295|8.783196|17.573766|8.833871|0.215402|44.502771|4.383824|4.723491|1.498959|1.679151|1.793067|1.671949|1.495401|1.428584|10.157789|0.038133|0.041136|0.036244|0.035803|0.035521|0.033761|0.037032|0.037946|0.044264|0.050489|0.048360|0.067069|0.065490|0.125351|0.106299|0.122962|0.139322|0.213614|0.212094|0.500000| |1.561343|2.129006|0.046440|1.422779|1.549468|0.039747|1.541138|2.317046|1.799578|3.080550|1.996350|16.667212|2.764665|3.421247|4.602570|4.013215|6.447526|5.404703|6.824900|5.645337|6.797659|8.813743|17.546832|8.848096|0.174028|45.794845|5.204406|5.468136|1.667580|1.897880|2.035503|1.866539|1.648062|1.573852|11.045814|0.042956|0.046594|0.040369|0.039381|0.039410|0.037093|0.040396|0.041217|0.048385|0.056414|0.052801|0.077088|0.072070|0.130592|0.127344|0.139369|0.200124|0.173253|0.214115|0.303052|0.500000| |5.876038|9.089789|0.220975|4.473612|6.932149|0.140775|5.825727|9.073963|6.639937|11.017576|5.378689|46.154808|4.163521|3.783818|5.828455|3.523534|6.312905|2.819176|2.400421|2.264244|2.031854|1.823605|1.904924|2.085317|0.053978|15.420000|2.696752|4.062268|8.886329|17.747723|9.024534|5.684753|4.974722|5.664472|31.289910|0.136580|0.198573|0.131080|0.117971|0.112451|0.107512|0.129123|0.135329|0.165481|0.129856|0.120086|0.108261|0.098947|0.058267|0.068932|0.053274|0.059382|0.047766|0.047466|0.048474|0.055301|0.500000| |3.798272|5.123364|0.110998|2.913131|4.077979|0.096309|3.643975|5.484299|3.864046|6.285559|3.746165|37.204442|3.938319|4.174256|7.447624|4.899256|9.905640|3.549026|3.007181|2.931885|2.532584|2.177930|2.222016|2.467949|0.063832|17.343147|3.113679|4.434436|5.613097|8.934237|17.729235|8.888065|5.643997|4.960011|27.366347|0.093085|0.129413|0.094398|0.077215|0.075828|0.075019|0.085104|0.096117|0.114964|0.093148|0.091194|0.097666|0.093993|0.074656|0.094012|0.066713|0.073746|0.056972|0.055795|0.055274|0.063814|0.218406|0.500000| |3.193350|4.192619|0.084465|2.499865|3.534227|0.090627|3.126604|4.318194|2.862813|4.716456|2.711584|23.763610|2.733818|2.881472|4.755102|3.451200|7.189285|2.743773|2.487879|2.559730|2.231947|1.925618|1.902176|2.087244|0.055750|14.226038|2.406287|3.313833|4.919704|5.659568|8.907871|17.737750|8.946912|5.658038|31.795298|0.077362|0.104172|0.086240|0.065795|0.064357|0.067729|0.074017|0.088564|0.092375|0.067842|0.070064|0.068698|0.069830|0.068032|0.082035|0.060996|0.063202|0.051596|0.049659|0.047922|0.053363|0.124848|0.213816|0.500000| 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