Version2.2 2021-02-23T12:46:53Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc2c(c1)cc(c(=O)[nH]2)CN(C3CCCC3)C(=S)NCCC[NH+]4CCOCC4 C06197671 RHF 6-31G(d) (6D,7F) CCc1ccc2c(c1)cc(c(=O)[nH]2)CN(C3CCCC3)C(=S)NCCC[NH+]4CCOCC4 C01[X(C25H37N4O2S1)] 201 C1 558 CCc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=S)NCCC[NH+]1CCOCC1)C1CCCC1 CCc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=S)NCCC[NH+]1CCOCC1)C1CCCC1 CCc1ccc2NC(=O)C(=Cc2c1)CN(C3CCCC3)C(=S)NCCC[NH+]4CCOCC4 InChIKey=AECBALHYGSFHPY-UHFFFAOYSA-O InChI=1S/C25H36N4O2S/c1-2-19-8-9-23-20(16-19)17-21(24(30)27-23)18-29(22-6-3-4-7-22)25(32)26-10-5-11-28-12-14-31-15-13-28/h8-9,16-17,22H,2-7,10-15,18H2,1H3,(H,26,32)(H,27,30)/p+1 InChI=1/C25H36N4O2S/c1-2-19-8-9-23-20(16-19)17-21(24(30)27-23)18-29(22-6-3-4-7-22)25(32)26-10-5-11-28-12-14-31-15-13-28/h8-9,16-17,22H,2-7,10-15,18H2,1H3,(H,26,32)(H,27,30)/p+1/fC25H37N4O2S/h26-28H/q+1 CCc1ccc2c(c1)cc(c(=O)[nH]2)CN(C3CCCC3)C(=S)NCCC[NH+]4CCOCC4 C01[X(C25H37N4O2S1)] 201 C01 558 CCc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=S)NCCC[NH+]1CCOCC1)C1CCCC1 CC[C]1[CH][CH][C]2[C]([CH]1)[CH]=C(C(=O)N2)C[N]([C]([NH]CCC[NH]1CCOCC1)S)C1CCCC1 CC[C]1[CH][CH][C]2NC(=O)C(=C[C]2[CH]1)CN([C](S)NCCC[NH]3CCOCC3)C4CCCC4 InChIKey=TXEBKTKAGDUWIQ-UHFFFAOYSA-N InChI=1S/C25H38N4O2S/c1-2-19-8-9-23-20(16-19)17-21(24(30)27-23)18-29(22-6-3-4-7-22)25(32)26-10-5-11-28-12-14-31-15-13-28/h8-9,16-17,22,26,28,32H,2-7,10-15,18H2,1H3,(H,27,30) InChI=1/C25H38N4O2S/c1-2-19-8-9-23-20(16-19)17-21(24(30)27-23)18-29(22-6-3-4-7-22)25(32)26-10-5-11-28-12-14-31-15-13-28/h8-9,16-17,22,26,28,32H,2-7,10-15,18H2,1H3,(H,27,30)/f/h27H 3482.5166135906 -1733.1125214 1-A 19826.9486 123 435 558 |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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.95922 -20.70866 -20.59106 -15.84665 -15.69572 -15.69148 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-0.00160 -0.00224 1.00000 1 0.00515 0.00441 0.00257 0.10723 0.09184 0.05353 15.53 18.87 30.29 38.22 43.11 59.85 78.90 87.30 101.91 112.55 133.15 152.77 158.92 213.45 215.76 229.12 250.64 260.17 303.19 321.96 345.46 368.50 375.61 394.46 414.31 432.17 445.66 454.17 486.06 510.83 561.14 569.04 588.65 614.10 628.81 634.42 673.13 708.37 723.01 728.90 743.88 749.87 760.00 797.69 826.68 870.55 898.12 923.52 927.43 953.41 969.07 987.67 1010.02 1043.90 1065.03 1090.81 1146.34 1158.53 1185.14 1206.17 1226.22 1227.80 1243.25 1288.80 1307.94 1311.96 1337.47 1343.83 1367.33 1381.89 1386.74 1405.74 1419.94 1442.77 1462.41 1467.67 1484.68 1504.25 1514.04 1531.83 1544.07 1574.96 1579.33 1591.08 1592.76 1603.68 1621.34 1630.79 1650.32 1662.67 1670.29 1692.47 1708.63 1711.05 1726.23 1764.00 1767.97 1815.36 1831.46 1839.94 1845.91 1875.73 1887.29 1889.21 1900.57 1903.08 1947.26 1954.21 1979.68 1984.03 1999.55 2006.37 2016.40 2028.78 2047.96 2053.23 2053.44 2071.68 2081.57 2088.79 2100.80 2112.05 2114.86 2121.44 2135.64 2136.71 2151.27 2156.48 2166.16 2186.73 2193.61 2210.20 2222.88 2225.20 2246.87 2251.70 2273.52 2278.17 2282.70 2290.08 2300.50 2326.97 2333.16 2342.42 2351.91 2356.58 2360.61 2361.43 2362.19 2370.65 2371.10 2375.09 2378.49 2387.77 2391.75 2395.60 2401.86 2408.99 2418.72 2495.22 2568.04 2609.72 2657.89 2757.63 4558.27 4584.49 4597.81 4607.26 4619.29 4625.03 4635.26 4652.57 4666.05 4666.39 4687.65 4703.74 4704.19 4706.92 4707.86 4710.32 4716.41 4722.90 4737.93 4747.48 4753.68 4765.31 4783.12 4784.08 4789.05 4804.81 4819.69 4825.61 4832.63 4835.33 4850.37 4859.05 4871.39 4884.48 5296.37 5533.44 5681.03 0.653811 0.682771 0.683715 0.589185 -1732.458710 -1732.429751 -1732.428806 -1732.523336 3.170552D-04 MUNgauss RevisionA2.1 retrievium 23-Feb-2021 DUDE CCc1ccc2c(c1)cc(c(=O)[nH]2)CN(C3CCCC3)C(=S)NCCC[NH+]4CCOCC4 C06197671 RHF 6-31G(d) (6D,10F) C1 457.263723 |X|Y|Z| 93.763696 100.388507 30.939948 66.284619 28 6 7 8 23 4 1 |36.858105| |12.425256|36.858105| |7.492910|12.579416|36.858105| |5.752738|7.513878|13.577244|36.858105| |4.192886|4.999457|7.842406|13.865787|36.858105| |3.731649|4.412247|6.795455|7.967712|13.657196|36.858105| |4.089485|4.984106|7.853952|6.891162|7.898576|13.698978|36.858105| |5.535471|7.542799|13.842010|8.011355|6.875816|7.913192|13.603041|36.858105| |3.277672|3.789206|5.061742|4.524662|5.124702|7.841236|13.168156|7.613163|36.858105| |2.722559|3.054454|3.910710|3.782966|4.519139|6.754028|7.788832|5.109060|14.218121|36.858105| |2.599686|2.897877|3.745010|3.939847|5.139731|7.791902|6.695880|4.487645|7.845593|12.950728|36.858105| |2.244144|2.457931|3.047239|3.237514|4.092456|5.403911|4.700949|3.494461|5.373412|8.043144|15.756849|73.516695| |2.956310|3.343721|4.554207|5.198459|7.863385|13.804073|8.004242|5.205873|6.997583|7.932532|13.959512|15.156148|53.358707| |2.731234|3.042264|3.995917|4.783117|7.269108|9.239551|5.801263|4.269017|5.122487|5.788510|9.534986|14.137676|25.985931|0.500000| |2.303419|2.531174|3.050566|2.921393|3.327653|4.399305|4.950560|3.808654|7.618448|12.600851|7.452948|11.785929|6.867310|0.116367|36.858105| |2.126591|2.261623|2.663389|2.578147|2.909035|3.673932|3.975119|3.210399|5.422831|7.508493|5.815885|10.251559|5.740384|0.102057|12.871236|53.358707| |1.896659|2.004147|2.339824|2.333932|2.667583|3.264243|3.308876|2.711888|4.119253|5.570967|5.321865|10.978101|5.326435|0.100010|7.593453|17.469018|36.858105| |1.658250|1.742061|1.983568|1.967698|2.196704|2.591637|2.645137|2.259211|3.189211|3.963675|3.769124|7.599585|4.067565|0.078213|5.268642|10.033102|12.210310|36.858105| |1.547536|1.603438|1.810288|1.817308|2.024852|2.331793|2.329870|2.019648|2.695326|3.237937|3.233138|6.566827|3.646899|0.071925|3.886158|6.992739|7.718326|12.349488|36.858105| |1.635095|1.691147|1.932821|1.975618|2.243459|2.586722|2.508110|2.140626|2.846971|3.478358|3.695621|7.831758|4.167718|0.083732|3.920269|6.877997|7.924997|7.824531|12.409522|36.858105| |1.878850|1.949100|2.270796|2.310634|2.660761|3.175956|3.099038|2.567859|3.620748|4.623958|4.873575|10.200937|5.222767|0.101650|5.185448|10.043973|12.335681|7.649387|7.886663|12.429533|36.858105| |2.142309|2.235114|2.576668|2.441540|2.672131|3.279699|3.661594|3.103557|4.849577|5.716332|4.446622|7.535260|4.826760|0.086540|7.819806|19.449377|7.646752|5.949385|4.596891|4.330696|5.888103|36.858105| |2.388254|2.490311|2.825865|2.561856|2.701244|3.283160|3.931738|3.505061|5.268243|5.261860|3.883144|6.191891|4.497256|0.079482|6.284879|9.617627|4.649059|3.961912|3.264697|3.122843|3.924731|11.101081|388.023441| |1.934408|1.980624|2.239660|2.150060|2.336755|2.768489|2.986884|2.608229|3.671988|4.194276|3.604161|6.376662|4.076896|0.075563|5.201777|11.292083|6.812982|6.185211|5.305976|4.750429|6.094812|14.115404|51.297719|53.358707| |1.848867|1.863249|2.057811|1.956084|2.078069|2.396786|2.603823|2.362756|3.087808|3.319671|2.890407|5.046822|3.421451|0.064060|3.881935|7.083035|4.506174|4.444972|4.132691|3.684923|4.298406|7.685409|44.929096|17.920639|36.858105| |1.992525|1.964270|2.152560|2.035794|2.136693|2.431051|2.648468|2.451317|3.041239|3.140266|2.767535|4.723933|3.390297|0.063504|3.410431|5.813700|3.697925|3.444124|3.321424|3.186092|3.765133|5.872248|40.726756|10.383258|12.328675|36.858105| |1.979130|1.934858|2.071165|1.925688|1.976189|2.214023|2.450998|2.346005|2.771716|2.755054|2.407983|4.061757|3.010714|0.056413|2.955838|4.701041|2.972070|2.829155|2.691229|2.560420|2.932400|4.531493|36.786814|7.015778|7.543007|12.496171|36.858105| |2.130264|2.030839|2.141326|1.980031|1.999993|2.200606|2.434179|2.389195|2.657631|2.568496|2.278671|3.797449|2.930773|0.055095|2.634252|4.028525|2.577202|2.403175|2.313134|2.271142|2.600563|3.669055|30.293862|5.349387|4.926190|7.575695|12.624413|53.358707| |2.085700|1.973547|2.089299|1.959499|1.991207|2.176325|2.363861|2.303331|2.547236|2.491299|2.256710|3.789179|2.919445|0.055330|2.528434|3.905802|2.557532|2.376553|2.337025|2.327628|2.656248|3.489201|27.097688|5.209513|4.701609|7.481151|9.299904|25.687245|0.500000| |2.551535|2.405896|2.533647|2.290107|2.280707|2.516956|2.858000|2.864125|3.089956|2.870888|2.501844|4.061648|3.263902|0.060519|2.846990|4.206096|2.613362|2.361578|2.226851|2.226192|2.608192|3.781139|33.652487|5.108554|4.280468|5.962324|7.589457|17.198122|0.258092|36.858105| |2.681743|2.432819|2.488658|2.253311|2.198266|2.351873|2.626099|2.713624|2.710570|2.492314|2.236549|3.635564|3.002426|0.056367|2.407325|3.469136|2.221795|2.016078|1.929771|1.956008|2.252717|2.962164|24.997076|3.997102|3.235291|4.215319|4.964625|10.484768|0.198945|12.533244|36.858105| |2.366720|2.159215|2.166610|1.968277|1.911428|2.025941|2.245369|2.333572|2.320163|2.151847|1.942454|3.194440|2.601568|0.049256|2.113247|3.030606|1.968181|1.826452|1.755203|1.756398|1.979731|2.566184|21.459565|3.505108|2.889026|3.623397|4.493624|9.157551|0.168045|7.952495|13.666372|73.516695| |2.039202|1.890179|1.917296|1.770310|1.743668|1.854411|2.027107|2.064304|2.120472|2.012614|1.830768|3.055438|2.425406|0.046240|2.014200|2.944887|1.940867|1.831668|1.782440|1.767008|1.965113|2.510468|20.363897|3.541805|3.018250|3.839552|4.964858|10.473212|0.198624|6.719654|8.200737|24.341847|36.858105| |1.956575|1.855449|1.913890|1.767621|1.764010|1.909393|2.100692|2.100174|2.258025|2.170816|1.946812|3.264205|2.529133|0.047960|2.227310|3.323270|2.168146|2.066879|1.999357|1.947489|2.171041|2.921921|23.963140|4.213445|3.794997|4.990291|7.615922|17.270301|0.259209|7.740517|6.724736|14.123849|12.512560|36.858105| |17.552653|8.755744|6.781746|6.129633|4.442323|3.764652|3.891362|4.916986|3.097082|2.638235|2.591861|4.006109|4.088156|0.078496|2.221723|2.819395|1.873523|1.633826|1.539008|1.642473|1.883280|2.072008|16.047774|2.569602|1.797678|1.941784|1.906188|2.794252|0.056552|2.426824|2.563026|4.007639|1.964226|1.879114|0.500000| |17.543968|8.770392|6.783176|5.118161|3.998192|3.753718|4.271078|5.759863|3.504415|2.875790|2.687541|4.105076|4.083669|0.075945|2.441211|3.098762|2.004154|1.745999|1.627132|1.714408|1.987088|2.331553|18.848314|2.860936|2.022292|2.212327|2.212089|3.288567|0.065434|2.974515|3.163805|4.858756|2.306655|2.200925|0.301750|0.500000| |17.554359|8.779254|5.475188|4.470012|3.431504|3.099126|3.370396|4.364372|2.816985|2.384637|2.275098|3.548577|3.457541|0.065913|2.066008|2.612432|1.723171|1.526917|1.429840|1.500136|1.703733|1.943084|15.423748|2.410776|1.710788|1.840693|1.850839|2.720735|0.054236|2.370128|2.524793|4.055377|1.965265|1.868742|0.301471|0.301072|0.500000| |8.857187|17.545288|8.917583|7.038123|4.706964|3.979766|4.228997|5.737408|3.294539|2.748602|2.672180|4.096666|4.219301|0.080255|2.305689|2.807065|1.857579|1.628222|1.505732|1.589656|1.810349|2.019225|15.708381|2.456300|1.697415|1.774905|1.745075|2.478827|0.049377|2.116678|2.143599|3.431695|1.710566|1.678575|0.210359|0.173069|0.213434|0.500000| |8.853994|17.551975|8.922430|5.624769|4.194631|3.969783|4.727991|7.209006|3.794989|3.019245|2.777965|4.203817|4.217069|0.077604|2.552403|3.081074|1.984351|1.738755|1.587828|1.654770|1.902123|2.255714|18.284079|2.705728|1.881553|1.973355|1.969094|2.802520|0.054934|2.448940|2.457540|3.918377|1.921238|1.894578|0.172908|0.210943|0.213043|0.304568|0.500000| |5.744124|6.992184|8.882253|17.704107|9.012013|5.667366|4.960448|5.680619|3.603850|3.131383|3.295561|5.005771|5.721331|0.113048|2.514089|3.076586|2.081678|1.783339|1.666200|1.809824|2.080739|2.154361|15.980496|2.627449|1.775477|1.852648|1.763467|2.483164|0.050384|2.089657|2.089618|3.282495|1.665478|1.647744|0.183737|0.133434|0.128249|0.208420|0.142433|0.500000| |3.589214|4.082308|5.599760|8.937508|17.711617|8.875211|5.624948|4.953072|4.164182|3.932599|4.722898|7.100019|9.714391|0.216418|3.012148|3.662839|2.547782|2.115516|1.979060|2.219625|2.590448|2.455415|17.229617|2.977272|1.946928|1.994617|1.835528|2.523580|0.051685|2.079182|2.014948|3.140502|1.627889|1.644006|0.108428|0.094430|0.084214|0.111478|0.096592|0.217117|0.500000| |5.340593|6.974889|8.952396|5.665115|4.951617|5.645862|8.924652|17.690931|7.018951|4.704750|3.914883|5.582748|5.746733|0.098221|3.740099|4.311861|2.626719|2.224474|1.975667|2.056321|2.450610|3.152135|26.726175|3.588988|2.427717|2.523118|2.469509|3.429886|0.066376|3.071219|2.889193|4.439910|2.183871|2.228407|0.124679|0.162116|0.121990|0.145637|0.217647|0.124358|0.107494|0.500000| |3.240586|3.715509|4.653652|3.943782|4.164948|5.617403|8.783814|6.997607|17.733844|9.122987|5.588393|7.623115|6.829934|0.110405|7.057058|7.082857|3.827954|3.086958|2.589487|2.653744|3.307367|5.024083|44.401863|5.098126|3.232711|3.179300|2.980409|3.866968|0.074043|3.355435|2.887271|4.412942|2.251429|2.419842|0.082926|0.097974|0.078557|0.088770|0.107853|0.089791|0.096068|0.212468|0.500000| |2.107074|2.327344|2.777182|2.715301|3.114723|4.007710|4.264269|3.353812|5.881408|8.965519|7.030346|12.657316|6.478367|0.114333|17.650317|12.578460|7.614144|5.596292|4.007718|4.013055|5.001003|5.900663|33.824500|6.025408|3.391651|2.952590|2.585905|3.149382|0.062113|2.457833|2.119718|3.358577|1.814554|1.994566|0.056790|0.061118|0.052932|0.059921|0.065042|0.065791|0.080127|0.090534|0.149535|0.500000| |2.318572|2.560061|3.025159|2.806895|3.085174|3.966253|4.721275|3.833362|7.330766|8.966395|5.556426|8.699950|5.754356|0.098695|17.711120|12.438593|5.733858|4.574162|3.430297|3.329710|4.167562|7.447451|52.107873|6.716147|3.889835|3.404318|3.061037|3.686537|0.070810|2.951087|2.469592|3.886607|2.073726|2.309812|0.061174|0.068601|0.058182|0.064444|0.073238|0.067328|0.076741|0.109353|0.223866|0.304006|0.500000| |1.904955|2.040879|2.406611|2.432519|2.829393|3.495995|3.452503|2.779226|4.262693|6.041463|6.262085|14.505195|5.948518|0.112720|7.943429|12.798209|17.767246|8.885060|6.196322|6.830542|9.102472|5.800876|28.743362|6.796015|3.625152|3.105565|2.589208|3.131762|0.063356|2.368032|2.052734|3.246674|1.786391|1.966549|0.052389|0.055310|0.047996|0.052933|0.055947|0.060139|0.075642|0.073732|0.106628|0.262776|0.158447|0.500000| |1.591771|1.686764|1.917023|1.909420|2.133455|2.503034|2.535795|2.171293|3.029890|3.757879|3.640748|7.486461|3.944139|0.076556|4.956352|8.152287|8.784813|17.583405|8.772621|6.382643|5.903258|4.762910|24.671967|6.359771|3.611228|2.905413|2.473474|2.910447|0.058523|2.120351|1.836375|2.981362|1.674543|1.870747|0.043538|0.046177|0.040843|0.044112|0.046852|0.048231|0.057370|0.059274|0.081225|0.158957|0.121071|0.235858|0.500000| |1.643511|1.721948|1.941364|1.897693|2.085519|2.449914|2.561105|2.223306|3.116254|3.743285|3.394439|6.516853|3.736324|0.071072|5.084568|9.693525|8.571429|17.587952|8.646384|5.705209|5.866040|6.559522|31.141233|9.664182|5.178197|3.750715|3.108112|3.491106|0.069514|2.489521|2.093624|3.394705|1.925993|2.208836|0.044665|0.048319|0.042212|0.044545|0.048148|0.047798|0.055283|0.061786|0.086439|0.143575|0.131340|0.180033|0.305700|0.500000| |1.429503|1.482506|1.660494|1.671490|1.852508|2.104344|2.092793|1.834641|2.385549|2.817594|2.841039|5.772997|3.268308|0.065191|3.325936|5.581876|5.662730|8.666646|17.589589|8.663438|5.635096|3.713283|19.939703|5.663382|3.462318|2.845052|2.381599|2.816332|0.057992|1.987753|1.745097|2.853733|1.634568|1.822073|0.039516|0.041514|0.036891|0.038928|0.040831|0.042884|0.050621|0.049912|0.063916|0.097493|0.083295|0.140318|0.222433|0.190344|0.500000| |1.531168|1.571211|1.759532|1.753802|1.932351|2.208959|2.231694|1.960330|2.569962|3.006831|2.939386|5.760781|3.383737|0.066390|3.560138|6.493595|6.285744|8.728726|17.476691|8.819951|6.773153|4.673180|23.766994|8.106789|4.831275|3.770193|2.985543|3.426868|0.071082|2.366739|2.034129|3.297296|1.907003|2.165103|0.042252|0.044989|0.039399|0.040846|0.043297|0.044778|0.052243|0.053671|0.069559|0.098213|0.089679|0.137220|0.175486|0.220672|0.304269|0.500000| |1.595436|1.663219|1.905570|1.968149|2.253823|2.585957|2.463688|2.095437|2.764093|3.398868|3.753105|8.330082|4.239465|0.086890|3.767277|6.138634|6.887165|6.753893|8.813427|17.540016|8.829721|3.745822|20.032596|5.291937|3.101744|2.730285|2.261805|2.771330|0.057681|2.019929|1.797580|2.883507|1.621546|1.768873|0.044623|0.046066|0.040693|0.043744|0.045109|0.050241|0.062629|0.055517|0.070812|0.111732|0.088438|0.193714|0.176983|0.137016|0.216169|0.174028|0.500000| |1.576630|1.613105|1.828632|1.877255|2.117123|2.393986|2.307929|1.999431|2.559257|3.029702|3.232576|6.653131|3.794072|0.077155|3.290833|5.598138|5.638566|5.605758|8.667002|17.574103|8.677080|3.741818|20.038277|5.751302|3.470203|3.104479|2.493907|3.047236|0.064661|2.169764|1.927887|3.085173|1.758840|1.927208|0.044241|0.045930|0.040296|0.042206|0.043673|0.048180|0.058621|0.053325|0.066552|0.091837|0.079558|0.138720|0.132320|0.126359|0.197259|0.217305|0.302734|0.500000| |1.920448|1.963096|2.269071|2.285505|2.590556|3.060153|3.042984|2.565783|3.530059|4.294227|4.315895|8.333473|4.837448|0.093178|4.706725|9.338335|8.630169|6.297280|6.761284|8.806011|17.559553|6.411387|30.063246|10.084000|5.148883|4.604764|3.389655|4.054510|0.085714|2.944411|2.507002|3.875236|2.179211|2.429255|0.053461|0.057031|0.048377|0.050293|0.053233|0.057265|0.069503|0.068608|0.091330|0.119525|0.109800|0.176704|0.133843|0.150945|0.137158|0.189586|0.174073|0.216606|0.500000| |1.987597|2.069120|2.448588|2.543385|3.006226|3.616599|3.388242|2.749390|3.852629|4.995665|5.835493|12.886122|6.236054|0.123784|5.072080|8.638526|8.779746|5.632101|5.643205|8.669096|17.628780|5.011390|25.781108|6.595739|3.635095|3.362994|2.689801|3.347876|0.070059|2.521962|2.218981|3.444374|1.901021|2.063759|0.055831|0.058066|0.049689|0.053486|0.055455|0.063372|0.082264|0.071346|0.094230|0.136505|0.111174|0.232641|0.134359|0.126097|0.124799|0.137315|0.217182|0.196556|0.303445|0.500000| |1.810214|1.855982|2.099985|2.048571|2.248431|2.644220|2.774614|2.409860|3.342828|3.919635|3.542559|6.537596|3.983306|0.075154|4.841795|10.528371|7.995912|7.886488|7.193123|6.068880|7.546576|9.436045|38.138506|26.184724|9.169823|6.011964|4.250318|4.601434|0.093678|3.202826|2.604352|4.107452|2.350580|2.745045|0.049459|0.054108|0.046141|0.047400|0.051428|0.051414|0.059274|0.066777|0.092259|0.120935|0.122606|0.153187|0.151897|0.241018|0.145204|0.237996|0.129817|0.146269|0.258152|0.151850|0.500000| |1.684178|1.693329|1.858707|1.786362|1.900438|2.163487|2.305422|2.100318|2.678099|2.902564|2.611869|4.662687|3.114269|0.059217|3.367544|6.026399|4.189630|4.424503|4.403015|3.784220|4.138583|5.780729|33.376778|12.728061|17.607420|8.791343|6.101913|5.797978|0.117039|3.606087|2.861532|4.648230|2.788957|3.462071|0.045765|0.050748|0.043535|0.043230|0.047334|0.045442|0.050026|0.059489|0.076726|0.084752|0.092406|0.094291|0.099711|0.143267|0.103659|0.152344|0.087407|0.101296|0.136938|0.095907|0.241700|0.500000| |1.823031|1.847940|2.022836|1.900347|1.998174|2.300267|2.538770|2.334166|3.034017|3.200515|2.729947|4.723132|3.242205|0.060460|3.809159|6.578049|4.057290|4.110578|3.668366|3.216591|3.672177|7.033112|48.302700|12.508784|17.626235|8.766881|7.571147|6.525640|0.120314|4.214703|3.166080|5.145481|3.014126|3.861218|0.048787|0.055360|0.047127|0.046763|0.052416|0.047930|0.051734|0.067686|0.090689|0.092804|0.111089|0.093482|0.096059|0.137877|0.088029|0.115187|0.077471|0.083281|0.115431|0.088189|0.189663|0.303566|0.500000| |2.221710|2.186887|2.431810|2.293670|2.419999|2.788841|3.063724|2.803479|3.536306|3.621826|3.155164|5.274401|3.869528|0.071587|3.811118|6.489397|3.971440|3.480669|3.301379|3.294964|4.094696|6.613010|46.723251|10.415308|8.903161|17.661315|8.863402|9.680101|0.198468|6.697778|4.620525|6.641941|3.758838|4.590917|0.060209|0.069180|0.056308|0.054359|0.060659|0.057398|0.062194|0.079691|0.101882|0.089194|0.104106|0.092996|0.081723|0.102326|0.077790|0.100877|0.078819|0.088436|0.141110|0.104056|0.164458|0.180060|0.190458|0.500000| |1.874794|1.832906|1.999248|1.917160|2.016392|2.260400|2.407311|2.234284|2.696067|2.804708|2.558750|4.436345|3.173682|0.060361|2.994006|5.052288|3.411220|3.229400|3.274195|3.186519|3.651446|4.719514|31.102560|8.417205|8.753804|17.523177|8.848594|9.134019|0.212207|5.079648|3.924003|6.099261|3.753675|4.722019|0.051275|0.057462|0.048286|0.046345|0.050744|0.048917|0.052911|0.063112|0.076718|0.073717|0.081485|0.080252|0.075955|0.095559|0.078518|0.105329|0.075318|0.089056|0.126070|0.090884|0.151860|0.228646|0.177727|0.302506|0.500000| |1.785813|1.746419|1.853761|1.736150|1.779920|1.973905|2.157672|2.072778|2.415523|2.422505|2.152788|3.681584|2.699082|0.051096|2.617699|4.139116|2.705774|2.661109|2.577366|2.414227|2.678616|3.847201|29.714517|6.099509|6.611408|8.789884|17.611955|12.383066|0.212072|5.624560|4.189568|7.223370|4.777462|7.551480|0.047933|0.054882|0.046795|0.044165|0.049386|0.044535|0.046311|0.060376|0.071610|0.065008|0.075158|0.065848|0.065106|0.081705|0.064301|0.080348|0.059390|0.065926|0.085056|0.067924|0.107552|0.168314|0.190457|0.173681|0.216584|0.500000| |2.042588|2.019295|2.158741|1.979672|2.021350|2.282592|2.578163|2.480812|2.968517|2.909605|2.477883|4.137161|3.079494|0.057173|3.166886|4.929311|3.012911|2.865153|2.638891|2.485797|2.863091|4.837516|44.120647|6.987817|7.085949|8.829723|17.657014|12.401436|0.183021|7.387737|4.743881|7.726761|4.530501|6.619710|0.054020|0.063510|0.053098|0.050389|0.057766|0.050082|0.051715|0.073803|0.091176|0.076224|0.093947|0.073413|0.070235|0.088684|0.065079|0.079898|0.061649|0.066115|0.089731|0.073146|0.114838|0.152542|0.230726|0.207006|0.173629|0.300504|0.500000| |2.557133|2.449060|2.557272|2.272125|2.245336|2.490960|2.887873|2.931465|3.170449|2.899035|2.473291|3.995034|3.207570|0.059110|2.913247|4.210763|2.571720|2.343308|2.168858|2.138305|2.493098|3.798936|36.473535|4.973786|4.149175|5.283867|7.052007|12.418358|0.181843|17.643741|8.841080|12.680944|5.912006|7.067611|0.066394|0.082646|0.066424|0.059704|0.070601|0.057400|0.056477|0.089693|0.098804|0.069709|0.086242|0.065123|0.058932|0.069403|0.054051|0.063577|0.054283|0.057251|0.076730|0.066730|0.085933|0.096273|0.119925|0.158449|0.121438|0.149483|0.227069|0.500000| |2.717743|2.583614|2.797262|2.537954|2.563481|2.880951|3.289454|3.219307|3.598305|3.344560|2.886971|4.632281|3.745498|0.068712|3.263720|4.883380|2.973901|2.608425|2.445276|2.481506|2.992898|4.448768|39.429227|5.878018|4.699488|6.673191|7.024659|12.257184|0.222568|17.668350|8.766330|10.140982|5.003093|5.619568|0.072285|0.088355|0.068740|0.062671|0.072239|0.063491|0.064488|0.094581|0.107328|0.076719|0.092529|0.074311|0.064415|0.075636|0.059824|0.071849|0.062167|0.066835|0.095164|0.080848|0.100759|0.106997|0.123449|0.243029|0.153320|0.141725|0.188579|0.301592|0.500000| |3.118448|2.767776|2.787581|2.474352|2.367478|2.511963|2.843236|3.026136|2.871153|2.571455|2.300295|3.688823|3.135524|0.058563|2.430407|3.414384|2.172536|1.951831|1.851654|1.889252|2.185978|2.860249|24.505641|3.747317|2.933246|3.647714|4.113860|7.611962|0.144747|8.928097|17.645428|16.893976|5.889575|5.016916|0.081562|0.105301|0.081398|0.066746|0.077928|0.063627|0.059635|0.090601|0.085347|0.059348|0.069520|0.056444|0.049789|0.055959|0.046620|0.053563|0.048678|0.051427|0.066647|0.060550|0.068093|0.071968|0.080342|0.113327|0.093468|0.097393|0.114200|0.214823|0.209778|0.500000| |2.604409|2.340576|2.412088|2.229610|2.192270|2.324767|2.536838|2.588966|2.585972|2.414590|2.213730|3.625095|2.992242|0.056699|2.314901|3.371611|2.200573|1.991198|1.936471|1.987452|2.283224|2.842484|22.853003|3.905236|3.133410|4.137238|4.566673|9.351717|0.208330|8.812672|17.487711|16.529516|7.294205|5.848124|0.070666|0.084533|0.067831|0.057721|0.064541|0.057817|0.056383|0.074776|0.074733|0.056979|0.064807|0.056452|0.050246|0.056871|0.048618|0.056859|0.050618|0.055026|0.071186|0.062841|0.071771|0.078327|0.082867|0.126882|0.112198|0.109386|0.115474|0.173012|0.211883|0.301414|0.500000| |1.897484|1.762836|1.769750|1.635488|1.604104|1.695063|1.846882|1.891232|1.924683|1.828350|1.670046|2.798752|2.216920|0.042442|1.836311|2.661074|1.767566|1.685638|1.641539|1.619024|1.779479|2.240978|18.075894|3.152136|2.666855|3.245035|4.117430|7.609977|0.144600|5.017733|5.886179|16.898536|17.642640|8.912654|0.050677|0.059033|0.051366|0.044640|0.049999|0.043001|0.041742|0.055680|0.056807|0.046377|0.052714|0.045479|0.043142|0.049290|0.042171|0.048642|0.041523|0.044768|0.054240|0.047835|0.058682|0.069466|0.075008|0.087297|0.088456|0.114792|0.107766|0.132516|0.109861|0.132140|0.147866|0.500000| |1.986488|1.830433|1.865217|1.743939|1.726293|1.825653|1.967959|1.989944|2.042239|1.956140|1.804819|3.028989|2.401197|0.046078|1.946450|2.866762|1.916296|1.805690|1.781472|1.782222|1.974097|2.421409|19.022518|3.460413|2.925991|3.764633|4.564347|9.334968|0.207725|5.832658|7.289232|16.540397|17.486633|8.826697|0.053831|0.062117|0.053036|0.046212|0.051116|0.045775|0.045079|0.057678|0.059357|0.048910|0.054960|0.048976|0.045757|0.052310|0.045388|0.053107|0.045343|0.049763|0.061182|0.053221|0.064591|0.076288|0.079134|0.102810|0.106792|0.123252|0.111204|0.135006|0.130410|0.147912|0.217999|0.301391|0.500000| |1.771449|1.689183|1.747152|1.631674|1.639463|1.770894|1.924243|1.906030|2.070705|2.022508|1.833708|3.112199|2.372258|0.045306|2.096615|3.161778|2.102593|2.038839|2.000229|1.932736|2.119732|2.761200|21.755137|4.092580|3.759974|4.826776|7.045902|12.328561|0.225377|5.623684|5.020107|10.150118|8.787335|17.620157|0.047593|0.054696|0.047099|0.042813|0.047730|0.042430|0.042782|0.055663|0.061052|0.052706|0.059998|0.052813|0.051212|0.060681|0.050912|0.060793|0.048614|0.053530|0.065984|0.055553|0.075294|0.099066|0.105514|0.117534|0.133911|0.230413|0.161432|0.143876|0.126220|0.110038|0.131345|0.209357|0.214118|0.500000| 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