Version2.0 2020-01-11T19:51:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 16-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc4ccc(N(CCNN=Nc3ccc2ncnc(Nc1cccc(Cl)c1)c2c3)CC(C)Cl)cc4 379008 CHEMBL225721 RHF 6-31G(d) (6D,7F) COc4ccc(N(CCNN=Nc3ccc2ncnc(Nc1cccc(Cl)c1)c2c3)CC(C)Cl)cc4 C01[X(C26H27Cl2N7O1)] 183 C1 602 COc1ccc(cc1)N(CC(Cl)C)CCNN=Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Cl COc1ccc(cc1)N(CC(Cl)C)CCNN=Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Cl COc1ccc(cc1)N(CCNN=Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)CC(C)Cl InChIKey=OQMCTCBSARHFKL-UHFFFAOYSA-N InChI=1S/C26H27Cl2N7O/c1-18(27)16-35(22-7-9-23(36-2)10-8-22)13-12-31-34-33-21-6-11-25-24(15-21)26(30-17-29-25)32-20-5-3-4-19(28)14-20/h3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,31,33)(H,29,30,32) InChI=1/C26H27Cl2N7O/c1-18(27)16-35(22-7-9-23(36-2)10-8-22)13-12-31-34-33-21-6-11-25-24(15-21)26(30-17-29-25)32-20-5-3-4-19(28)14-20/h3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,31,33)(H,29,30,32)/f/h31-32H COc4ccc(N(CCNN=Nc3ccc2ncnc(Nc1cccc(Cl)c1)c2c3)CC(C)Cl)cc4 C01[X(C26H27Cl2N7O1)] 183 C01 602 COc1ccc(cc1)N(CC(Cl)C)CCNN=Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Cl COc1ccc(cc1)N(C[C@H](Cl)C)CCN/N=N/C1=Cc2c(CC1)ncnc2Nc1cccc(c1)Cl COc1ccc(cc1)N(CCNN=NC2=Cc3c(CC2)ncnc3Nc4cccc(Cl)c4)C[C@@H](C)Cl InChIKey=ORAILGYTVCGWFI-GOSISDBHSA-N InChI=1S/C26H29Cl2N7O/c1-18(27)16-35(22-7-9-23(36-2)10-8-22)13-12-31-34-33-21-6-11-25-24(15-21)26(30-17-29-25)32-20-5-3-4-19(28)14-20/h3-5,7-10,14-15,17-18H,6,11-13,16H2,1-2H3,(H,31,33)(H,29,30,32)/t18-/m1/s1 InChI=1/C26H29Cl2N7O/c1-18(27)16-35(22-7-9-23(36-2)10-8-22)13-12-31-34-33-21-6-11-25-24(15-21)26(30-17-29-25)32-20-5-3-4-19(28)14-20/h3-5,7-10,14-15,17-18H,6,11-13,16H2,1-2H3,(H,31,33)(H,29,30,32)/t18-/m1/s1/f/h31-32H 3632.5733965839 -2375.1985865 1-A 43311.5274 137 465 602 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1 0.00604 0.00121 0.00112 0.12590 0.02524 0.02341 3.27 8.58 12.30 26.43 29.85 42.96 58.03 60.77 67.47 91.67 99.01 117.95 128.36 140.80 171.47 206.66 219.13 244.95 282.45 293.59 300.85 305.46 315.27 346.39 360.29 365.38 376.04 393.52 419.25 435.42 463.12 485.16 528.26 574.88 590.27 600.30 610.22 625.54 659.86 667.83 680.22 685.82 709.92 711.40 738.26 741.28 781.15 819.15 865.30 867.71 881.94 921.87 924.89 933.68 959.17 974.50 998.39 1014.89 1040.54 1090.98 1109.33 1122.34 1128.90 1144.11 1174.23 1228.02 1256.13 1272.91 1274.19 1282.90 1288.72 1334.53 1355.80 1371.00 1389.14 1403.21 1411.02 1433.42 1441.37 1442.12 1479.55 1496.36 1540.66 1548.50 1560.00 1572.39 1595.50 1610.32 1613.58 1615.56 1630.79 1644.80 1675.36 1688.52 1707.03 1716.83 1721.96 1724.69 1741.21 1753.26 1767.23 1768.45 1798.27 1820.64 1859.11 1862.14 1862.70 1866.60 1885.10 1917.28 1921.76 1934.80 1948.62 1983.50 2002.70 2028.41 2043.69 2058.38 2073.07 2084.68 2097.69 2101.41 2105.91 2108.79 2125.16 2138.15 2199.64 2229.17 2240.52 2252.55 2256.07 2266.03 2269.49 2274.80 2296.96 2344.19 2347.53 2352.18 2360.62 2366.22 2375.46 2385.61 2387.41 2389.38 2407.73 2420.77 2444.95 2493.98 2549.78 2554.69 2579.09 2596.35 2623.09 2625.09 2661.17 2685.34 4546.36 4614.85 4617.74 4620.93 4640.67 4697.09 4704.37 4711.10 4733.51 4736.99 4749.14 4770.90 4787.82 4833.44 4854.95 4857.20 4863.67 4870.45 4877.70 4882.14 4889.32 4900.52 4904.05 4922.23 5013.32 5409.26 5647.07 0.540935 0.572502 0.573446 0.467465 -2374.657652 -2374.626085 -2374.625140 -2374.731122 3.554654D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2020 DUDE COc4ccc(N(CCNN=Nc3ccc2ncnc(Nc1cccc(Cl)c1)c2c3)CC(C)Cl)cc4 379008 CHEMBL225721 RHF 6-31G(d) (6D,10F) C1 523.165414 |X|Y|Z| 49.864280 74.164989 187.948441 88.581372 29 6 7 22 7 |36.858105| |13.618823|73.516695| |8.017248|25.104190|36.858105| |5.261214|14.574711|13.686199|36.858105| |3.988830|9.414824|7.930526|13.823360|36.858105| |3.776959|8.164327|6.798944|7.885401|13.653618|36.858105| |2.959964|6.077786|4.508275|5.102750|7.697978|13.376736|53.358707| |2.656820|5.327678|3.776776|4.149731|5.627817|7.775295|17.896835|36.858105| |2.515862|5.128755|3.533673|4.070809|5.399352|6.031260|10.299556|12.434864|36.858105| |2.226892|4.406188|2.917551|3.206444|3.893458|4.289314|6.907073|7.829065|13.132019|53.358707| |2.010688|3.975210|2.562196|2.843795|3.346571|3.471139|5.357955|5.235061|8.067725|19.383356|53.358707| |1.888562|3.675660|2.322876|2.517186|2.856172|2.957088|4.417309|4.157903|5.580414|12.067275|21.257207|53.358707| |1.699680|3.297525|2.045286|2.221888|2.472494|2.496045|3.671177|3.258690|4.173758|7.522823|11.635319|18.304302|36.858105| |1.626914|3.179593|1.965892|2.169946|2.422648|2.397558|3.537158|3.038073|3.889523|6.364985|9.469525|10.339908|13.427292|36.858105| |1.478781|2.869427|1.748186|1.915064|2.097858|2.060877|2.997419|2.500104|3.055361|4.779009|6.339604|6.955459|7.917714|14.044264|36.858105| |1.399988|2.687254|1.621573|1.748959|1.887174|1.865636|2.683288|2.232223|2.653500|4.184834|5.289956|6.156031|6.809186|7.894643|13.440165|36.858105| |1.285765|2.456262|1.468539|1.577417|1.684861|1.658303|2.368478|1.933627|2.246492|3.439521|4.160761|4.653890|4.582973|5.242938|7.977183|14.011408|53.358707| |1.227817|2.327209|1.382919|1.470268|1.556947|1.539253|2.184679|1.778885|2.033378|3.113826|3.667127|4.148401|3.902838|4.092772|5.383549|8.497241|20.164542|36.858105| |1.246143|2.348823|1.394743|1.470185|1.552096|1.545789|2.188039|1.794843|2.039302|3.167689|3.689275|4.291205|3.966678|3.833169|4.615289|7.028855|10.967028|14.160321|53.358707| |1.342886|2.535331|1.515260|1.596512|1.694847|1.698239|2.412015|2.009802|2.307699|3.680157|4.351262|5.294214|5.051221|4.499487|5.131441|7.935216|9.442103|8.407984|19.945753|36.858105| |1.353617|2.534782|1.511559|1.573990|1.661935|1.679991|2.374922|1.986073|2.245022|3.603484|4.123527|5.070087|4.446860|3.742941|3.937840|5.222885|6.315123|5.404828|11.237111|14.009508|53.358707| |1.267793|2.353198|1.391900|1.436117|1.502314|1.520468|2.135043|1.763656|1.952958|3.070591|3.405551|4.040322|3.359190|2.934128|3.081349|3.873608|5.041871|4.438752|8.793890|7.555549|18.450617|36.858105| |1.174158|2.176276|1.279447|1.320992|1.375097|1.383511|1.936609|1.579055|1.738560|2.679823|2.959694|3.414075|2.842660|2.598037|2.803533|3.513908|4.898370|4.537440|8.848680|6.118126|10.440928|13.696586|36.858105| |1.111756|2.046693|1.196940|1.227270|1.270098|1.280260|1.784585|1.444359|1.569250|2.392421|2.594355|2.944745|2.382060|2.191925|2.328980|2.798813|3.906097|3.467237|6.063109|4.243578|6.969036|7.953160|13.748022|36.858105| |1.122363|2.053996|1.200046|1.221350|1.260988|1.278544|1.778514|1.441046|1.550892|2.366871|2.528763|2.868845|2.262076|2.050317|2.127287|2.491599|3.381329|2.881338|4.875499|3.627431|6.171069|6.802965|7.863980|13.778326|36.858105| |1.203490|2.201382|1.291778|1.311228|1.357645|1.384884|1.929430|1.578083|1.698701|2.625643|2.793752|3.216168|2.502792|2.208316|2.246510|2.618196|3.437976|2.866059|4.889308|3.887549|7.111921|7.930860|6.891858|8.047193|13.784150|36.858105| |1.205424|2.184188|1.278456|1.283594|1.323256|1.359978|1.887649|1.539403|1.629264|2.502034|2.599217|2.952566|2.218939|1.954659|1.947036|2.193190|2.849813|2.298655|3.733955|2.983334|5.131291|4.763182|4.225663|4.785514|7.035389|10.922328|448.794386| |1.285269|2.367411|1.398777|1.428618|1.489471|1.520032|2.128202|1.761117|1.921903|3.025013|3.269803|3.864080|3.055837|2.623894|2.659136|3.168231|4.045716|3.375231|6.015319|5.160181|10.948496|13.656709|7.927792|6.930951|7.909078|13.827456|56.761011|36.858105| |1.444353|2.755230|1.664010|1.774735|1.909436|1.909693|2.738962|2.313783|2.736664|4.462956|5.587299|7.051606|7.885569|6.821768|7.852217|13.627626|10.731677|7.138548|10.859401|13.184220|10.734948|5.036787|4.194686|3.225808|2.897336|3.146250|20.726566|4.018346|36.858105| |1.588904|3.041764|1.859182|1.983932|2.159443|2.184175|3.157171|2.746286|3.326065|5.757380|7.540228|11.009554|13.990480|7.922237|6.862171|7.852505|7.028590|4.667713|6.994089|7.491806|8.866629|4.420587|3.554595|2.868356|2.696553|3.029374|20.813727|3.877849|13.467623|36.858105| |2.588301|5.292445|3.738228|4.347163|6.205937|7.719518|17.944162|7.716876|5.886086|5.769178|4.830193|3.980721|2.521412|2.514317|2.156617|1.909102|2.315216|1.559262|2.101051|1.683059|2.229958|1.475132|1.350284|1.244561|1.233056|1.326654|10.359817|1.458170|1.911833|2.163179|36.858105| |2.278575|4.487448|3.050942|3.330999|4.254569|5.235323|10.412252|5.881521|4.440360|4.896560|4.171454|3.546890|2.276682|2.264660|1.972367|1.765571|2.159530|1.463737|1.975870|1.575380|2.096273|1.397278|1.283029|1.188727|1.181201|1.269106|9.964227|1.387011|1.771011|1.986304|12.454454|36.858105| |1.999956|3.923468|2.581511|2.842596|3.480535|3.889437|6.775554|4.201554|3.583803|4.120260|3.701134|3.183793|2.107811|2.148591|1.902662|1.695647|2.096746|1.416606|1.894233|1.494532|1.971656|1.317667|1.220302|1.131552|1.118688|1.192869|9.318571|1.299017|1.675583|1.846743|7.524891|12.519346|36.858105| |2.441374|4.684367|3.166556|3.258873|3.909481|4.924048|8.146267|4.562313|3.466539|3.979063|3.409504|3.004351|1.942762|1.906738|1.689079|1.542243|1.905313|1.307591|1.777642|1.411672|1.899423|1.282201|1.181406|1.104739|1.105241|1.186798|9.425000|1.284693|1.560675|1.737488|6.953628|10.536135|6.998828|448.794386| |4.513321|9.235790|7.937546|6.912495|8.004189|13.775533|10.700353|5.920997|4.605609|4.981889|4.071967|3.611354|2.252026|2.130140|1.856830|1.712791|2.086318|1.439397|1.984648|1.600481|2.182535|1.467135|1.335097|1.245066|1.253157|1.360780|10.857310|1.482858|1.772826|2.019629|5.336830|4.321736|3.296099|37.203352|36.858105| |6.723781|13.976621|13.750019|7.948366|6.890846|7.871151|6.987245|4.259077|3.693903|4.182459|3.561031|3.234024|2.058315|1.951943|1.726228|1.607635|1.974507|1.370369|1.892137|1.517701|2.076025|1.406483|1.286359|1.205600|1.215366|1.315446|10.531029|1.424260|1.664105|1.874861|3.998998|3.352543|2.731328|29.160804|13.710481|36.858105| |17.556503|16.438488|7.031063|4.756623|3.791797|3.723968|4.020665|2.724978|2.577296|3.152047|2.827271|2.679042|1.758841|1.663666|1.508228|1.435994|1.789136|1.259683|1.750969|1.392877|1.924473|1.326056|1.222584|1.158750|1.175004|1.266092|10.234562|1.352516|1.494416|1.653239|2.528392|2.237966|1.947448|19.144190|4.572313|6.729791|0.500000| |17.559045|16.440797|7.047515|4.774635|3.801119|3.731829|4.026126|2.609450|2.412623|2.903299|2.609484|2.444332|1.616497|1.551457|1.411792|1.335454|1.672773|1.173766|1.619697|1.279928|1.755662|1.210326|1.122615|1.064957|1.076026|1.152663|9.290781|1.228203|1.375209|1.510298|2.614762|2.343064|2.054412|20.783246|4.582288|6.727682|0.298946|0.500000| |17.645246|17.004198|5.882055|4.416838|3.414129|3.173368|3.497217|2.337484|2.254230|2.750242|2.523182|2.387266|1.597856|1.537000|1.409186|1.339451|1.684622|1.185098|1.635240|1.288095|1.765851|1.220420|1.135996|1.078685|1.088040|1.161718|9.336106|1.235508|1.378062|1.503316|2.298457|2.041047|1.823867|17.393289|3.617287|4.902151|0.300027|0.299975|0.500000| |4.873643|13.487807|8.956832|17.735317|8.898964|5.613378|5.622195|3.509258|3.599619|3.965116|3.635804|3.245836|2.148476|2.125720|1.896453|1.731198|2.138997|1.463190|1.981387|1.570880|2.096585|1.407369|1.301950|1.209597|1.199009|1.280505|10.016316|1.392507|1.742529|1.926123|3.740828|2.935946|2.600960|22.779266|4.973996|5.665403|0.119739|0.120215|0.121327|0.500000| |3.335535|7.620637|5.650785|8.981186|17.701984|8.887365|9.560343|5.421900|5.711444|5.467435|4.851965|4.051767|2.609595|2.617144|2.256086|1.996521|2.422134|1.628293|2.189046|1.751352|2.310474|1.524746|1.399200|1.285972|1.268473|1.360658|10.553680|1.497883|1.992503|2.243808|6.540149|4.307415|3.667716|29.671276|5.670261|4.960163|0.088186|0.088376|0.082244|0.215433|0.500000| |2.338920|4.596228|3.154450|3.408008|4.398260|5.693539|12.493852|17.575133|8.915118|9.840082|6.882751|5.531047|3.223095|3.022992|2.495575|2.226507|2.629362|1.776180|2.435688|2.000313|2.686246|1.753565|1.571253|1.437566|1.433871|1.569212|12.286852|1.750304|2.301579|2.720660|7.268396|6.561977|4.635703|38.131278|4.700669|3.539350|0.066456|0.064527|0.057857|0.082381|0.121294|0.500000| |2.805584|5.510088|3.900735|4.044629|5.127635|7.222946|12.560593|17.557706|8.869230|9.769253|6.521235|5.516487|3.140475|2.840853|2.363318|2.155821|2.546407|1.741268|2.420162|2.001401|2.735386|1.795939|1.598678|1.468848|1.477629|1.629827|12.899888|1.816011|2.275944|2.718391|5.697070|4.783669|3.533145|33.556547|6.482035|4.620760|0.081832|0.076369|0.067891|0.094049|0.129223|0.304811|0.500000| |2.804217|5.863341|4.093139|4.877111|6.476833|6.588088|9.353786|8.799065|17.528236|12.287475|9.230181|6.951942|3.954534|3.690320|2.953130|2.590344|3.003358|2.005687|2.741659|2.272881|3.017000|1.936046|1.728017|1.562538|1.544476|1.688968|13.010697|1.905868|2.674570|3.220125|5.239597|3.884344|3.198966|25.750320|4.966801|4.124562|0.079906|0.073243|0.069533|0.119255|0.188687|0.173888|0.210070|0.500000| |2.324971|4.758732|3.224343|3.811908|5.068864|5.295094|9.210696|8.794589|17.608711|12.668635|10.499955|7.059892|4.155719|4.140214|3.236064|2.726765|3.151979|2.066294|2.774874|2.281826|2.966100|1.891687|1.700018|1.530501|1.500301|1.628601|12.434339|1.838882|2.730507|3.245759|6.288781|4.650696|3.929643|27.558393|3.988425|3.278688|0.065109|0.062278|0.058543|0.096480|0.161992|0.213546|0.173529|0.302198|0.500000| |2.285668|4.460030|2.934404|3.126250|3.675202|4.108947|6.300700|6.920282|9.066573|25.865307|13.256606|11.519456|5.201488|4.170181|3.240285|2.949906|3.317206|2.247047|3.170169|2.733778|3.740838|2.354175|2.030679|1.819585|1.818792|2.041879|15.784775|2.359581|3.249413|4.254655|3.747463|3.258747|2.729598|22.279835|3.695844|3.141924|0.067086|0.060568|0.057453|0.078451|0.101457|0.174049|0.206864|0.213181|0.180117|0.500000| |1.691238|3.337681|2.083566|2.337333|2.658073|2.613314|3.911804|3.348374|4.414896|6.922316|10.438051|9.421590|8.835518|17.767434|9.012111|5.619879|5.761902|3.395908|4.310926|3.590341|4.221890|2.524366|2.266803|1.951722|1.842010|1.975801|14.289094|2.303745|4.929328|5.657600|2.829619|2.512752|2.396932|16.601206|2.272309|2.061085|0.047719|0.044904|0.044228|0.063571|0.081390|0.092635|0.084426|0.114305|0.138188|0.119268|0.500000| |1.422838|2.765945|1.679010|1.848566|2.020820|1.968089|2.858451|2.337322|2.818642|4.241952|5.412650|5.606373|5.615527|8.966182|17.746271|8.909758|10.060904|4.942400|5.498807|4.197550|4.505118|2.701211|2.528542|2.136493|1.947304|2.027345|14.213552|2.349024|5.630152|4.948976|2.093072|1.919914|1.881199|13.179149|1.767182|1.647943|0.040051|0.037824|0.037793|0.051222|0.060866|0.064957|0.060848|0.075882|0.084528|0.079279|0.214886|0.500000| |1.155375|2.183750|1.291108|1.369643|1.442963|1.423390|2.013365|1.622552|1.834149|2.766202|3.200139|3.545890|3.211429|3.396697|4.325781|5.914906|12.841685|17.715233|12.682183|5.937023|5.960135|3.902430|4.244399|3.371434|2.765139|2.672938|17.324989|3.038143|5.088793|3.694357|1.444836|1.362549|1.326679|9.826721|1.335464|1.276925|0.032847|0.030732|0.031088|0.037988|0.041885|0.045036|0.044114|0.050369|0.051899|0.055441|0.081266|0.116893|0.500000| |1.434660|2.686668|1.610756|1.673140|1.773554|1.805767|2.558444|2.167512|2.457388|4.031339|4.600272|5.855372|4.985395|3.928427|3.912938|4.903216|5.613107|4.471309|8.190365|9.547865|26.157921|9.458661|5.759014|4.321900|4.112762|5.015744|31.001146|7.863768|7.597300|7.649210|1.746516|1.637842|1.526235|11.901506|1.726560|1.634969|0.041818|0.037940|0.038019|0.045197|0.050096|0.059734|0.061422|0.067221|0.065392|0.086919|0.090470|0.090095|0.102246|0.500000| |1.153917|2.147486|1.262382|1.310936|1.366308|1.367254|1.916062|1.556333|1.723349|2.640735|2.947129|3.372543|2.868148|2.693152|2.994989|3.849489|5.651673|5.612946|11.396695|6.604821|9.431475|8.914331|17.860598|8.922676|5.628651|4.973004|27.432472|5.646691|4.415150|3.552945|1.344769|1.275730|1.220190|9.388083|1.311679|1.263223|0.033234|0.030648|0.031052|0.036030|0.038837|0.043036|0.043437|0.047584|0.047225|0.054971|0.065004|0.075739|0.150039|0.142683|0.500000| |1.054177|1.939597|1.130700|1.160128|1.197720|1.203417|1.675019|1.346188|1.458503|2.201659|2.383059|2.670369|2.159713|2.025315|2.170851|2.584505|3.694726|3.288103|5.500012|3.682568|5.639510|5.663769|8.974956|17.719668|8.961742|5.696932|31.644264|4.982217|2.879533|2.546387|1.174305|1.123555|1.074818|8.397496|1.169920|1.135631|0.030428|0.028082|0.028492|0.031861|0.033738|0.037234|0.037895|0.040382|0.039713|0.046228|0.050503|0.056133|0.092026|0.098585|0.216599|0.500000| |1.071622|1.952907|1.136731|1.152619|1.185651|1.202436|1.668310|1.343353|1.434592|2.169974|2.297852|2.575835|2.009050|1.838193|1.900851|2.188729|2.986466|2.510341|4.101566|3.016871|4.916494|4.918726|5.607182|8.869345|17.758689|8.907974|53.605908|5.637132|2.491317|2.343884|1.158654|1.113641|1.056561|8.413491|1.183487|1.151716|0.031152|0.028587|0.028924|0.031453|0.033057|0.037140|0.038303|0.039726|0.038568|0.046278|0.046364|0.048820|0.067913|0.093163|0.123799|0.214376|0.500000| |1.363683|2.510303|1.490450|1.517578|1.587352|1.631601|2.288712|1.913501|2.085590|3.330333|3.569150|4.283422|3.296673|2.744333|2.703808|3.151345|3.896236|3.138317|5.409285|4.863015|10.092930|8.858785|5.631919|4.982856|5.647486|8.973791|54.428627|17.725458|4.067402|4.195168|1.554035|1.476611|1.371802|10.978785|1.596353|1.527219|0.040048|0.036182|0.036248|0.040847|0.044148|0.052789|0.055281|0.057312|0.054832|0.073301|0.067044|0.065710|0.077555|0.242310|0.123871|0.108033|0.124390|0.500000| |1.621042|3.078285|1.879678|1.978668|2.140963|2.191425|3.149968|2.761492|3.271157|5.748529|7.016042|10.436347|9.161980|5.668733|4.950194|5.579894|5.648607|3.990360|6.283629|6.706461|9.626083|4.830541|3.686064|3.006435|2.904242|3.383335|23.465045|4.469205|8.718401|17.747071|2.123610|1.959688|1.801968|13.939725|2.057387|1.913701|0.047245|0.042774|0.042513|0.052985|0.060871|0.075770|0.077766|0.088321|0.086045|0.124511|0.125183|0.107516|0.090731|0.272125|0.098295|0.072818|0.069673|0.142296|0.500000| |2.363786|4.842235|3.331004|3.958192|5.514287|6.058454|12.282722|7.210073|6.514359|6.283235|5.429455|4.341931|2.770170|2.823811|2.394795|2.079950|2.508341|1.670983|2.233629|1.789383|2.344682|1.538149|1.408213|1.289944|1.270305|1.364135|10.557366|1.507296|2.058216|2.329058|17.461318|8.993116|7.190133|41.536221|4.334935|3.436358|0.064342|0.065410|0.059168|0.098422|0.177969|0.196726|0.143616|0.154488|0.222753|0.108364|0.090583|0.064910|0.042882|0.050888|0.039144|0.033814|0.033048|0.044501|0.062584|0.500000| |2.743587|5.708548|4.044256|4.847299|6.903671|7.627359|12.532222|5.695518|4.781503|4.848810|4.206657|3.539812|2.288905|2.303368|2.007215|1.784855|2.185604|1.475613|1.982621|1.576693|2.087033|1.388581|1.279015|1.183002|1.171093|1.254109|9.799926|1.371207|1.777837|1.986591|17.619683|8.934219|6.833681|53.261319|5.320502|4.171987|0.072821|0.077541|0.067740|0.116419|0.204854|0.144554|0.128255|0.127644|0.141439|0.089371|0.071623|0.054574|0.038184|0.045149|0.035450|0.031116|0.030655|0.040397|0.054094|0.303302|0.500000| |2.156758|4.192025|2.824932|3.028414|3.799420|4.738407|9.627305|6.442528|4.661685|5.359610|4.474758|3.808843|2.412853|2.369871|2.048990|1.839067|2.236358|1.517627|2.057899|1.650019|2.203522|1.465289|1.338570|1.238458|1.233244|1.330791|10.463445|1.458870|1.858571|2.102367|8.830973|17.650367|8.874534|65.711161|4.058987|3.147884|0.059729|0.061267|0.053758|0.074360|0.105914|0.229756|0.146152|0.108638|0.132659|0.099111|0.072652|0.054949|0.039103|0.048055|0.036868|0.032417|0.032243|0.043337|0.057900|0.208790|0.174717|0.500000| |2.049010|4.046787|2.647723|2.944324|3.559618|3.826325|6.238882|3.733146|3.277200|3.738122|3.402373|2.946781|1.970882|2.021439|1.806397|1.612697|2.006908|1.357309|1.810197|1.421136|1.872369|1.255475|1.167896|1.085215|1.071701|1.138746|8.893885|1.236031|1.586898|1.735974|6.857746|8.811627|17.569557|51.811463|3.242695|2.748035|0.054721|0.058710|0.052095|0.075628|0.105076|0.108698|0.088721|0.084022|0.099684|0.069320|0.062541|0.049917|0.035443|0.040108|0.032496|0.028710|0.028169|0.036133|0.046980|0.178984|0.203628|0.173469|0.500000| |1.854459|3.578196|2.319400|2.494183|2.960818|3.318823|5.591186|3.623226|3.094546|3.696636|3.343524|2.931526|1.954349|1.982802|1.773712|1.596118|1.985407|1.348902|1.807540|1.421710|1.882416|1.265176|1.174471|1.093334|1.083204|1.153647|9.045520|1.250993|1.581351|1.733255|5.483575|8.819686|17.601143|53.000373|2.940957|2.475835|0.050353|0.053226|0.047185|0.063718|0.084959|0.112836|0.087822|0.077080|0.092170|0.069121|0.060696|0.048723|0.035206|0.040409|0.032579|0.028885|0.028489|0.036659|0.047176|0.144477|0.140669|0.213362|0.301321|0.500000| |1.893588|3.730980|2.438131|2.722455|3.340775|3.628859|6.339164|4.183163|3.763727|4.365499|4.004793|3.404102|2.271387|2.352540|2.074698|1.825499|2.250865|1.508490|2.004342|1.580761|2.068282|1.373795|1.272348|1.174084|1.155316|1.230412|9.545261|1.345576|1.787284|1.967216|6.847939|8.872346|17.537337|41.432480|3.030426|2.539695|0.051428|0.053407|0.048268|0.070137|0.100792|0.130245|0.095890|0.091692|0.119704|0.078660|0.073983|0.057301|0.039167|0.044389|0.035469|0.030978|0.030227|0.039399|0.052783|0.215835|0.166543|0.212574|0.300421|0.301071|0.500000| |3.907864|7.444004|5.650651|4.973534|5.679966|8.981225|9.910590|5.917767|4.315452|4.882248|3.944056|3.536789|2.195806|2.059553|1.798419|1.669202|2.034463|1.409435|1.951689|1.576147|2.162445|1.458833|1.324878|1.239089|1.252642|1.364277|10.957987|1.483630|1.737827|1.983286|5.040673|4.456657|3.322182|40.690208|17.726329|8.921177|0.112723|0.113133|0.088928|0.107899|0.124552|0.137419|0.192259|0.122196|0.103398|0.102219|0.060632|0.047411|0.036333|0.047648|0.036032|0.032302|0.032905|0.044524|0.056540|0.113086|0.133063|0.120622|0.088726|0.084190|0.083845|0.500000| 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