Version2.1 2020-12-27T08:59:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 28-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cn1cc(cc1C(=O)Nc2ccc(cc2)NC(=O)Nc3ccccc3)S(=O)(=O)N4CCCC4 C14197276 RHF 6-31G(d) (6D,7F) Cn1cc(cc1C(=O)Nc2ccc(cc2)NC(=O)Nc3ccccc3)S(=O)(=O)N4CCCC4 C01[X(C23H25N5O4S1)] 168 C1 549 O=C(c1cc(cn1C)S(=O)(=O)N1CCCC1)Nc1ccc(cc1)NC(=O)Nc1ccccc1 O=C(c1cc(cn1C)S(=O)(=O)N1CCCC1)Nc1ccc(cc1)NC(=O)Nc1ccccc1 Cn1cc(cc1C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)[S](=O)(=O)N4CCCC4 InChIKey=XPOFQOBMHAVMIL-UHFFFAOYSA-N InChI=1S/C23H25N5O4S/c1-27-16-20(33(31,32)28-13-5-6-14-28)15-21(27)22(29)24-18-9-11-19(12-10-18)26-23(30)25-17-7-3-2-4-8-17/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,24,29)(H2,25,26,30) InChI=1/C23H25N5O4S/c1-27-16-20(33(31,32)28-13-5-6-14-28)15-21(27)22(29)24-18-9-11-19(12-10-18)26-23(30)25-17-7-3-2-4-8-17/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,24,29)(H2,25,26,30)/f/h24-26H Cn1cc(cc1C(=O)Nc2ccc(cc2)NC(=O)Nc3ccccc3)S(=O)(=O)N4CCCC4 C01[X(C23H25N5O4S1)] 168 C01 549 O=C(c1cc(cn1C)S(=O)(=O)N1CCCC1)Nc1ccc(cc1)NC(=O)Nc1ccccc1 O=C([C]1[CH][C]([CH][N]1C)S(=O)(=O)N1CCCC1)N[C]1[CH][CH][C]([CH][CH]1)NC(=O)N[C]1[CH][CH][CH][CH][CH]1 CN1[CH][C]([CH][C]1C(=O)N[C]2[CH][CH][C]([CH][CH]2)NC(=O)N[C]3[CH][CH][CH][CH][CH]3)[S](=O)(=O)N4CCCC4 InChIKey=XPOFQOBMHAVMIL-UHFFFAOYSA-N InChI=1S/C23H25N5O4S/c1-27-16-20(33(31,32)28-13-5-6-14-28)15-21(27)22(29)24-18-9-11-19(12-10-18)26-23(30)25-17-7-3-2-4-8-17/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,24,29)(H2,25,26,30) InChI=1/C23H25N5O4S/c1-27-16-20(33(31,32)28-13-5-6-14-28)15-21(27)22(29)24-18-9-11-19(12-10-18)26-23(30)25-17-7-3-2-4-8-17/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,24,29)(H2,25,26,30)/f/h24-26H 3243.7140948134 -1854.6985453 1-A 35500.9214 123 426 549 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37.3397 23.8018 22.3651 73.2159 18.6403 19.0939 35.0586 13.2958 9.1199 0.4404 21.2551 36.5988 32.8156 1.2250 4.2405 0.4043 0.1596 2.6139 4.7141 49.1628 26.6128 4.6680 2.1618 3.2191 5.3212 6.2256 0.8857 0.4566 0.1601 0.2794 0.9431 2.6218 1.9427 0.7133 1.5176 0.7781 0.9376 0.3540 0.3757 1.8553 0.5984 0.1492 2.0600 1.5499 1.9660 1.2802 0.8049 5.0570 0.4788 0.7498 4.1693 1.6456 1.3015 1.0761 2.6675 0.9997 0.3222 1.9859 1.4179 1.5296 3.5007 2.1081 0.8396 3.4833 0.3456 2.7539 0.5770 1.0255 4.6041 1.1074 3.6567 3.1339 4.6435 0.6205 1.1345 3.5326 6.7910 0.3718 3.1208 8.0237 2.3216 0.5146 2.4901 10.7583 3.1913 3.6460 3.3933 1.4052 3.3841 4.3082 41.1125 7.4255 1.6850 4.1276 1.7613 2.8617 4.9142 9.9995 1.6458 40.1866 0.3608 6.8919 1.7455 0.0509 0.6715 6.5957 3.7178 16.0182 9.7376 0.9085 5.0506 14.2649 7.6101 4.5135 5.9094 2.3817 3.3240 5.5614 0.1765 8.5532 40.2812 1.6259 2.7716 2.6350 2.7653 5.8831 19.2273 15.6678 8.4281 19.8820 6.1033 245.5221 5.4010 2.1397 9.5461 2.8181 27.9084 0.8657 3.0561 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 4980.5972 62163.4078 64067.9458 0.99999 -0.00291 0.00449 0.00294 0.99996 -0.00797 -0.00447 0.00798 0.99996 1 0.01739 0.00139 0.00135 0.36235 0.02903 0.02817 9.09 16.99 20.09 28.72 44.62 51.76 56.51 71.89 74.99 89.26 101.12 121.37 134.36 179.16 198.41 230.84 238.45 260.27 301.29 305.11 320.88 355.93 369.61 393.89 403.78 424.95 462.72 512.08 524.72 547.67 557.46 567.58 577.60 615.83 641.68 656.36 658.88 685.92 730.07 759.26 767.84 813.92 825.88 839.56 869.10 896.49 901.36 973.62 979.78 982.80 1000.58 1007.94 1038.03 1105.66 1124.34 1137.19 1195.01 1203.03 1204.41 1209.15 1226.13 1278.15 1304.90 1322.01 1334.81 1351.96 1369.30 1375.26 1379.75 1405.68 1411.13 1417.96 1423.37 1458.79 1467.10 1511.22 1517.48 1528.26 1563.99 1574.10 1586.95 1591.86 1603.50 1613.53 1623.67 1651.32 1689.54 1713.90 1723.80 1733.67 1745.32 1750.05 1767.00 1805.70 1812.58 1824.62 1839.96 1860.67 1879.87 1889.73 1898.97 1904.42 1911.11 1916.95 1934.90 1958.98 1972.45 1984.78 2008.08 2013.50 2041.61 2102.02 2104.07 2111.92 2129.79 2140.65 2146.83 2175.20 2185.62 2207.73 2233.45 2258.12 2307.58 2312.46 2346.53 2353.92 2370.36 2375.24 2397.62 2406.58 2407.19 2416.46 2425.66 2447.05 2476.11 2492.10 2517.06 2592.98 2597.28 2604.08 2628.79 2788.95 2828.87 4572.35 4633.64 4651.36 4661.06 4692.66 4708.61 4723.41 4745.95 4788.66 4807.00 4810.71 4811.04 4836.15 4836.73 4839.26 4852.70 4876.06 4945.82 4953.38 4969.98 4974.57 4989.79 5564.03 5581.92 5611.96 0.500638 0.529446 0.530390 0.432977 -1854.197907 -1854.169100 -1854.168155 -1854.265569 3.267282D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE Cn1cc(cc1C(=O)Nc2ccc(cc2)NC(=O)Nc3ccccc3)S(=O)(=O)N4CCCC4 C14197276 RHF 6-31G(d) (6D,10F) C1 467.162726 |X|Y|Z| 45.709775 31.690151 180.020042 63.887823 28 6 7 16 22 5 1 |36.858105| |13.053423|53.358707| |7.723815|19.345903|36.858105| |5.277977|11.748293|13.920332|36.858105| |5.225297|11.664102|8.519225|13.487168|36.858105| |7.473892|18.804650|8.618558|8.535384|13.950158|36.858105| |6.235028|10.368355|5.261133|5.158243|7.375781|12.841706|36.858105| |6.779518|9.075952|4.587942|4.193433|5.254632|8.109133|15.849437|73.516695| |4.351061|7.087179|4.156399|4.435434|6.466894|7.976712|14.026963|14.974797|53.358707| |3.488879|5.232754|3.193995|3.339522|4.388562|5.069157|7.658194|11.689113|18.356751|36.858105| |2.874436|4.319520|2.766590|2.956613|3.765245|4.018759|5.194929|8.035658|10.827162|13.738268|36.858105| |2.445292|3.559774|2.316146|2.438184|2.966096|3.147408|3.913785|6.497492|7.057249|7.916914|13.781938|36.858105| |2.387651|3.377062|2.178168|2.243898|2.679775|2.912999|3.673437|6.472315|6.162966|6.812247|7.921333|13.746850|36.858105| |2.710764|3.768533|2.371406|2.399852|2.881901|3.252366|4.312422|8.010797|6.965644|7.916419|6.907654|7.980051|13.716925|36.858105| |3.331447|4.706006|2.861563|2.889622|3.598901|4.243188|6.249723|11.610317|10.499434|13.703386|7.971445|6.898428|7.907903|13.777751|36.858105| |2.045548|2.858442|1.876150|1.924620|2.237605|2.396448|2.894010|5.164265|4.615326|4.527186|5.174984|7.917421|13.483662|7.750121|5.124496|53.358707| |1.889912|2.616571|1.728647|1.763886|2.022130|2.159683|2.566278|4.651718|3.956783|3.693274|3.946228|5.249251|7.694828|6.235249|4.320148|18.867294|36.858105| |1.947379|2.683869|1.766651|1.795066|2.056792|2.209952|2.637825|4.846813|4.002377|3.694968|3.730657|4.627458|6.663939|6.497954|4.533242|11.435522|15.916843|73.516695| |1.674541|2.312385|1.546253|1.577400|1.782278|1.883240|2.183739|3.942202|3.318743|2.973846|3.218893|4.131698|5.243274|4.357683|3.322961|11.377626|13.884623|14.904611|53.358707| |1.526857|2.096250|1.411757|1.434831|1.601446|1.685873|1.925423|3.496080|2.867587|2.490778|2.627936|3.190876|3.861882|3.467121|2.777111|7.121269|7.648728|11.683686|18.380467|36.858105| |1.503521|2.063786|1.393356|1.415843|1.575519|1.655232|1.881435|3.425815|2.777435|2.382517|2.458990|2.899608|3.482122|3.277610|2.679905|5.926109|6.259562|11.640959|10.521918|13.701242|36.858105| |1.369851|1.873036|1.273445|1.290470|1.420644|1.486587|1.666667|3.038836|2.428180|2.037080|2.086574|2.395152|2.781179|2.668531|2.262007|4.517456|4.317376|8.017875|6.985732|7.951092|13.755108|36.858105| |1.279217|1.744469|1.190282|1.203981|1.317644|1.376538|1.532837|2.792228|2.224934|1.851762|1.909415|2.183129|2.488851|2.366370|2.029472|4.042902|3.678298|6.481826|6.178243|6.832431|7.887577|13.755686|36.858105| |1.293772|1.764436|1.202037|1.216008|1.333215|1.394492|1.556908|2.830744|2.271481|1.902191|1.986462|2.301150|2.618810|2.436216|2.071755|4.371160|3.912650|6.497232|7.060668|7.908580|6.860577|7.985332|13.763215|36.858105| |1.404467|1.920767|1.301014|1.318767|1.458212|1.530451|1.727297|3.135283|2.548977|2.173781|2.299199|2.737243|3.178941|2.873451|2.378199|5.612107|5.191638|8.031259|10.837593|13.698760|7.933029|6.920178|7.937578|13.773748|36.858105| |3.651931|6.657084|6.873048|10.917718|6.715958|4.840194|3.558362|5.407060|4.502162|2.670084|2.475476|2.102485|1.931837|2.020874|2.346136|2.304905|1.565663|2.821349|1.932700|1.302694|1.288672|1.184045|1.109536|1.118840|1.205423|388.023441| |3.119878|5.510414|5.008971|7.439865|6.135657|4.338227|3.380182|5.100953|4.477824|2.695830|2.534872|2.158935|1.972084|2.045373|2.358459|2.354993|1.604648|2.897360|1.979450|1.334866|1.326316|1.217385|1.136407|1.142241|1.230213|94.736714|73.516695| |3.549938|6.051725|6.403593|7.468686|4.897143|4.030278|3.073496|4.882271|3.799690|2.315941|2.137330|1.852690|1.732590|1.824295|2.094754|2.091170|1.435057|2.596682|1.781300|1.210604|1.201844|1.111694|1.044397|1.050462|1.125149|94.665659|13.531826|73.516695| |3.197301|5.538953|5.231125|6.999634|5.306026|4.081170|3.168678|4.846095|4.144155|2.512126|2.402258|2.051005|1.860637|1.911082|2.185444|2.236643|1.507613|2.683649|1.876986|1.262143|1.238147|1.138731|1.074254|1.090164|1.176084|83.404897|13.828195|13.825699|53.358707| |2.847954|4.846666|4.166684|5.475972|4.968421|3.817747|3.112160|4.694998|4.284815|2.629356|2.595316|2.204802|1.959252|1.974551|2.240284|2.353866|1.572099|2.773041|1.961428|1.311192|1.279276|1.172456|1.107311|1.128206|1.222036|50.178988|11.615912|8.864425|17.731423|36.858105| |2.518321|4.079360|3.425787|4.063752|3.709006|3.102066|2.631070|4.089563|3.610776|2.289232|2.291000|1.989941|1.778424|1.778337|1.982747|2.167752|1.450035|2.541463|1.828354|1.226723|1.191501|1.097383|1.043780|1.067533|1.153304|34.785006|7.842761|7.189094|11.190890|12.484328|36.858105| |2.795062|4.474311|3.834509|4.284188|3.723953|3.239174|2.702277|4.259192|3.582607|2.255230|2.212029|1.922565|1.740128|1.761916|1.975346|2.119499|1.420025|2.495276|1.788467|1.201889|1.166670|1.076058|1.025084|1.048989|1.132214|34.809976|7.097365|7.704324|10.993556|7.961781|12.434411|36.858105| |3.188244|5.257373|4.916050|5.557360|4.301062|3.648989|2.900626|4.566666|3.722955|2.296884|2.195399|1.898357|1.738029|1.788016|2.028698|2.105900|1.421200|2.522604|1.779324|1.199781|1.173000|1.082692|1.026737|1.044829|1.125046|50.313625|8.855361|11.602183|17.651798|7.811185|7.866075|12.404027|36.858105| |17.675598|12.365378|6.082317|4.561310|4.678577|6.541533|6.113309|13.074829|5.798833|3.513215|2.841570|2.447723|2.439873|2.831402|3.496230|2.845627|1.953872|3.627066|2.342049|1.575441|1.563186|1.424120|1.322843|1.330546|1.441669|23.405100|5.193189|5.726010|3.858825|2.558831|2.258801|2.450180|2.772031|0.500000| |17.666276|12.371633|5.955234|4.513818|4.691821|6.676176|6.341397|12.906831|6.117071|3.680664|3.032012|2.580219|2.521480|2.865196|3.519322|2.931321|1.970098|3.579225|2.374730|1.581305|1.543755|1.402007|1.313723|1.336861|1.458068|23.104440|5.009205|5.517274|4.060612|2.736530|2.466927|2.747839|3.021417|0.301903|0.500000| |17.632099|12.582187|7.534806|4.935516|4.477926|5.642189|4.653884|8.710596|4.808380|2.923110|2.489789|2.155964|2.105155|2.351222|2.802354|2.497840|1.708137|3.121293|2.083564|1.406773|1.387241|1.273491|1.194898|1.207536|1.303087|25.765560|5.365297|6.594821|4.347692|2.771128|2.495273|2.831891|3.295097|0.299421|0.300070|0.500000| |6.987685|12.290828|17.817701|8.642081|5.800576|5.903971|4.170031|6.851972|4.623740|2.733300|2.405895|2.059819|1.957157|2.123331|2.508081|2.328485|1.589311|2.888687|1.950820|1.318254|1.303252|1.198863|1.124777|1.134667|1.221697|43.570956|7.854114|12.062169|6.607402|3.754159|3.230578|3.729878|4.927856|0.155408|0.150236|0.226396|0.500000| |4.098016|7.947236|5.830400|8.607171|17.797962|8.706586|6.384073|8.186910|9.058365|4.612358|4.113415|3.190146|2.812817|2.960176|3.656128|3.182984|2.102288|3.785534|2.518836|1.655494|1.628364|1.462858|1.353430|1.369497|1.501808|43.120870|11.469124|7.700851|6.875750|5.197592|3.761891|3.558885|3.938991|0.105933|0.105986|0.099638|0.123405|0.500000| |3.982076|6.800592|4.243528|4.839862|7.463740|7.728029|9.474030|10.895428|26.109823|9.325888|7.582593|4.904312|4.067199|4.291369|5.762851|4.275746|2.693838|4.781915|3.132343|1.995998|1.930149|1.696835|1.562432|1.597485|1.787012|25.984911|6.571907|5.289195|4.650419|3.650469|2.995747|2.904847|2.989168|0.105296|0.112382|0.092621|0.095398|0.239554|0.500000| |2.805770|4.325950|2.837689|3.112986|3.987797|4.049970|4.867300|7.226933|9.965092|8.901893|17.695009|8.958995|5.647834|4.968339|5.651978|5.722622|3.326052|5.569092|3.855032|2.358038|2.210347|1.904982|1.760774|1.833728|2.100744|18.784894|4.837331|3.983336|3.562641|2.909945|2.554687|2.423947|2.368310|0.075490|0.081746|0.068256|0.068251|0.124986|0.230105|0.500000| |2.190264|3.194016|2.120722|2.247946|2.684542|2.777024|3.298413|5.455952|5.735960|5.645630|8.957919|17.696474|8.904566|5.655967|4.963735|9.893250|4.926246|7.410320|5.658351|3.197804|2.853570|2.370584|2.187585|2.333216|2.789221|14.104758|3.639358|3.110757|2.672631|2.137630|1.952118|1.867338|1.820960|0.060436|0.063974|0.054428|0.052832|0.080781|0.116224|0.217493|0.500000| |2.557563|3.474085|2.197741|2.195008|2.575477|2.908481|3.743901|7.230950|5.650997|5.651389|4.976511|5.669396|8.925734|17.800152|8.971652|9.611929|6.708433|13.895149|6.267594|3.757612|3.614895|2.919556|2.556132|2.606550|3.066706|13.263651|3.346012|3.035799|2.392166|1.797744|1.630796|1.624723|1.656153|0.075318|0.074809|0.062209|0.055369|0.072572|0.098349|0.107895|0.124268|0.500000| |3.731929|5.105811|3.029455|2.977892|3.657039|4.492049|6.784424|14.535076|9.534298|8.914061|5.664627|4.973187|5.649893|8.971836|17.818607|5.663922|3.745027|7.230909|4.033080|2.559080|2.516183|2.159791|1.938059|1.958306|2.212040|16.935066|4.211193|3.831589|2.967815|2.189152|1.935065|1.950983|2.034563|0.113047|0.108652|0.085741|0.073966|0.099837|0.144017|0.124175|0.107841|0.217468|0.500000| |1.927680|2.706803|1.794266|1.849907|2.137752|2.260719|2.676812|4.710311|4.275516|4.063909|4.886132|7.524937|9.334711|5.790210|4.297220|26.075751|9.384602|10.887641|10.836211|5.014321|4.021339|3.145301|2.897432|3.212540|4.170001|11.692640|2.987900|2.648197|2.196580|1.712991|1.589892|1.547680|1.523116|0.054168|0.056464|0.048379|0.045570|0.062333|0.082794|0.115673|0.226436|0.145134|0.098587|0.500000| |1.642867|2.270084|1.521449|1.552952|1.750879|1.845787|2.129966|3.825434|3.245156|2.894229|3.201110|4.145294|5.023141|4.045394|3.153127|10.888582|9.411545|10.880599|26.079088|9.364679|5.764894|4.305041|4.085819|4.931209|7.662811|9.965075|2.542965|2.293606|1.868200|1.440974|1.351565|1.322087|1.306165|0.046530|0.047805|0.041818|0.039212|0.050486|0.062979|0.079273|0.120133|0.114837|0.077658|0.250430|0.500000| |1.592889|2.194115|1.476877|1.503940|1.683282|1.770392|2.024750|3.686428|2.999580|2.589807|2.644073|3.107436|3.791467|3.639700|2.954088|6.265166|6.802134|14.588928|9.556354|8.910769|17.818192|8.919254|5.632820|4.953401|5.647815|9.694288|2.504441|2.254923|1.770211|1.341631|1.240784|1.213185|1.225696|0.046249|0.045229|0.040643|0.038230|0.048454|0.057613|0.065366|0.083397|0.112743|0.077109|0.113551|0.143847|0.500000| |1.343922|1.837308|1.252649|1.268982|1.392176|1.453785|1.621270|2.958390|2.346890|1.948785|1.974849|2.229153|2.563703|2.508178|2.163580|4.024902|3.746182|7.236476|5.659261|5.661989|8.972737|17.713731|8.922955|5.665028|4.976199|8.302726|2.139079|1.954807|1.521315|1.146661|1.071154|1.050181|1.061116|0.038959|0.037998|0.034777|0.032820|0.039793|0.045579|0.050252|0.060871|0.076274|0.058025|0.077275|0.098453|0.216503|0.500000| |1.201618|1.635972|1.121008|1.132408|1.231858|1.283694|1.418476|2.584217|2.045001|1.682467|1.726216|1.945314|2.186224|2.100171|1.832637|3.464148|3.053860|5.443022|4.918709|4.931428|5.623215|8.896834|17.723984|8.900262|5.642527|7.456361|1.908434|1.761647|1.382082|1.044235|0.986817|0.969915|0.972307|0.034516|0.034195|0.031315|0.029535|0.035080|0.040005|0.044539|0.054138|0.062727|0.049004|0.069195|0.092558|0.123984|0.214561|0.500000| |1.223245|1.665487|1.138574|1.150306|1.254654|1.309822|1.452782|2.639010|2.110300|1.751089|1.830547|2.099412|2.347973|2.188583|1.888737|3.847107|3.298065|5.457951|5.736684|5.639976|4.945393|5.659915|8.906106|17.714292|8.951477|7.556021|1.923899|1.778000|1.415036|1.075949|1.023319|1.006766|1.000097|0.034830|0.035150|0.031844|0.029950|0.035729|0.041385|0.047351|0.059465|0.064460|0.049759|0.079684|0.116802|0.107528|0.124230|0.214012|0.500000| |1.402515|1.917919|1.299284|1.316739|1.455332|1.527501|1.722456|3.118691|2.547854|2.173236|2.325357|2.783424|3.184374|2.827794|2.350174|5.660781|4.874215|7.234346|9.997788|8.898249|5.639395|4.974033|5.648424|8.934502|17.686383|8.559327|2.176537|1.994838|1.608588|1.231956|1.168028|1.147642|1.134284|0.039763|0.040652|0.036174|0.033895|0.041605|0.049774|0.059343|0.079914|0.082458|0.060335|0.121845|0.234535|0.124063|0.107877|0.124157|0.216576|0.500000| |3.089075|5.364387|4.424782|5.904825|5.918499|4.442413|3.614541|5.302101|5.089315|3.052444|3.026211|2.508848|2.193553|2.204726|2.530992|2.600641|1.716907|3.016977|2.127673|1.410212|1.369710|1.247311|1.175707|1.201450|1.309288|44.910076|10.538671|7.900587|12.227094|17.490579|8.797695|6.779120|6.391494|0.076581|0.083603|0.081488|0.106242|0.177520|0.124771|0.096282|0.067237|0.055090|0.067999|0.052571|0.043485|0.039959|0.033772|0.030679|0.031754|0.036730|0.500000| |2.583152|4.343081|3.673074|4.823419|4.531638|3.473363|2.900140|4.394538|4.064231|2.533558|2.524194|2.163408|1.921994|1.926539|2.168887|2.319683|1.557168|2.751757|1.946281|1.304559|1.277773|1.172483|1.105406|1.123043|1.214076|46.003658|12.839161|8.247815|12.370968|17.660225|8.672604|5.690511|5.766562|0.065857|0.068560|0.069544|0.092390|0.138774|0.096267|0.078611|0.058612|0.048794|0.058677|0.046925|0.039619|0.037294|0.031925|0.028981|0.029724|0.033906|0.300395|0.500000| |2.359578|3.764927|3.046321|3.546175|3.410123|2.916613|2.551041|3.971714|3.577770|2.305692|2.355626|2.055055|1.818460|1.796007|1.985429|2.223912|1.478743|2.572597|1.871448|1.251418|1.209064|1.111966|1.060378|1.088925|1.179375|28.324000|6.659504|5.926891|7.914676|8.726351|17.581800|8.674350|5.637749|0.059122|0.065255|0.064283|0.079187|0.097953|0.082850|0.073922|0.056602|0.045575|0.053244|0.045643|0.038621|0.034870|0.030053|0.027813|0.029033|0.033303|0.217940|0.195109|0.500000| |2.269940|3.617813|3.048516|3.563507|3.218813|2.720406|2.333396|3.675848|3.194780|2.054639|2.057280|1.812355|1.633476|1.632626|1.804517|2.008653|1.354369|2.379169|1.716134|1.158390|1.129055|1.044621|0.994840|1.015039|1.091688|31.927942|7.448231|6.930152|9.547835|8.870035|17.561511|8.800059|6.742900|0.057268|0.061326|0.063044|0.081550|0.091042|0.072712|0.063087|0.049580|0.041874|0.049090|0.040937|0.035192|0.032632|0.028395|0.026201|0.027069|0.030661|0.174253|0.218948|0.301216|0.500000| |3.009928|4.801359|3.976289|4.331274|3.911727|3.496436|2.938289|4.614515|3.894999|2.440790|2.395528|2.065801|1.860029|1.882377|2.119643|2.253576|1.498061|2.621791|1.882170|1.258198|1.215277|1.117020|1.064787|1.093555|1.185107|31.717425|6.525445|6.929661|8.916080|6.817164|8.834889|17.549875|8.812361|0.072247|0.084060|0.083803|0.105366|0.102595|0.087770|0.073243|0.055587|0.047981|0.057932|0.045762|0.038766|0.035064|0.030185|0.027920|0.029147|0.033469|0.189811|0.137770|0.218066|0.174070|0.500000| |2.508660|3.882696|3.275189|3.518679|3.092003|2.771551|2.368461|3.806669|3.136415|2.013310|1.982550|1.749946|1.596568|1.613343|1.788918|1.964210|1.322583|2.321825|1.676484|1.131982|1.098641|1.017771|0.973190|0.996359|1.071706|28.397529|5.959726|6.696485|7.972207|5.678917|8.671455|17.588512|8.713346|0.061633|0.068859|0.071536|0.091061|0.082281|0.069570|0.059828|0.047452|0.041616|0.049178|0.039941|0.034484|0.031626|0.027602|0.025643|0.026644|0.030210|0.137260|0.125829|0.195689|0.216440|0.302249|0.500000| |2.868145|4.574861|4.243163|4.615339|3.611046|3.132715|2.546238|4.084878|3.265618|2.050082|1.961920|1.720295|1.589435|1.635907|1.838897|1.942739|1.321397|2.351350|1.662127|1.127653|1.106110|1.025882|0.974337|0.989218|1.060314|43.723848|8.070858|11.733823|12.386756|6.001000|6.356374|8.689594|17.621130|0.070481|0.074972|0.083815|0.123928|0.092940|0.071864|0.058256|0.045985|0.042424|0.051456|0.039031|0.033852|0.032069|0.027999|0.025707|0.026347|0.029652|0.135393|0.137674|0.131695|0.174920|0.175346|0.220431|0.500000| 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