Version2.1 2020-12-19T03:23:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@]1(C(=O)N(C(=O)N1)C2Cc3ccccc3C2)C4CC[NH+](CC4)CC5=CC[C@@H]6C[C@H]5C6(C)C C43619451 RHF 6-31G(d) (6D,7F) C[C@]1(C(=O)N(C(=O)N1)C2Cc3ccccc3C2)C4CC[NH+](CC4)CC5=CC[C@@H]6C[C@H]5C6(C)C C01[X(C28H38N3O2)] 207 C1 571 O=C1N[C@](C(=O)N1C1Cc2c(C1)cccc2)(C)C1CC[NH+](CC1)CC1=CC[C@@H]2C[C@H]1C2(C)C O=C1N[C@](C(=O)N1C1Cc2c(C1)cccc2)(C)C1CC[NH+](CC1)CC1=CC[C@@H]2C[C@H]1C2(C)C CC1(C)[C@@H]2CC=C(C[NH+]3CCC(CC3)[C@@]4(C)NC(=O)N(C5Cc6ccccc6C5)C4=O)[C@H]1C2 InChIKey=JEBINKFECXZPDP-MBEZDYHHSA-O InChI=1S/C28H37N3O2/c1-27(2)22-9-8-20(24(27)16-22)17-30-12-10-21(11-13-30)28(3)25(32)31(26(33)29-28)23-14-18-6-4-5-7-19(18)15-23/h4-8,21-24H,9-17H2,1-3H3,(H,29,33)/p+1/t22-,24-,28-/m1/s1 InChI=1/C28H37N3O2/c1-27(2)22-9-8-20(24(27)16-22)17-30-12-10-21(11-13-30)28(3)25(32)31(26(33)29-28)23-14-18-6-4-5-7-19(18)15-23/h4-8,21-24H,9-17H2,1-3H3,(H,29,33)/p+1/t22-,24-,28-/m1/s1/fC28H38N3O2/h29-30H/q+1 C[C@]1(C(=O)N(C(=O)N1)C2Cc3ccccc3C2)C4CC[NH+](CC4)CC5=CC[C@@H]6C[C@H]5C6(C)C C01[X(C28H38N3O2)] 207 C01 571 O=C1N[C@](C(=O)N1C1Cc2c(C1)cccc2)(C)C1CC[NH+](CC1)CC1=CC[C@@H]2C[C@H]1C2(C)C O=C1N[C@](C(=O)N1[C@@H]1C[C]2[C]([CH][CH][CH][CH]2)C1)(C)[C@@H]1CC[NH](CC1)CC1=CC[C@@H]2C[C@H]1C2(C)C CC1(C)[C@@H]2CC=C(C[NH]3CC[C@H](CC3)[C@@]4(C)NC(=O)N(C5C[C]6[CH][CH][CH][CH][C]6C5)C4=O)[C@H]1C2 InChIKey=JYYHSKIOSOZJKV-MBEZDYHHSA-N InChI=1S/C28H38N3O2/c1-27(2)22-9-8-20(24(27)16-22)17-30-12-10-21(11-13-30)28(3)25(32)31(26(33)29-28)23-14-18-6-4-5-7-19(18)15-23/h4-8,21-24,30H,9-17H2,1-3H3,(H,29,33)/t22-,24-,28-/m1/s1 InChI=1/C28H38N3O2/c1-27(2)22-9-8-20(24(27)16-22)17-30-12-10-21(11-13-30)28(3)25(32)31(26(33)29-28)23-14-18-6-4-5-7-19(18)15-23/h4-8,21-24,30H,9-17H2,1-3H3,(H,29,33)/t22-,24-,28-/m1/s1/f/h29H 3326.9856200945 -1395.3458896 1-A 28053.0990 121 450 571 |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| -20.64879 -20.62767 -15.84265 -15.70658 -15.69024 -11.48031 -11.46443 -11.43952 -11.43681 -11.43121 -11.40804 -11.37938 -11.37809 -11.36849 -11.36299 -11.35822 -11.35150 -11.35107 -11.34080 -11.33985 -11.33323 -11.33054 -11.32710 -11.30308 -11.30231 -11.29426 -11.29194 -11.28728 -11.28599 -11.28152 -11.28088 -11.27915 -11.27799 -1.53210 -1.50304 -1.48623 -1.40282 -1.32763 -1.29990 -1.25353 -1.22964 -1.20336 -1.19701 -1.15642 -1.15505 -1.13157 -1.10345 -1.08289 -1.07679 -1.05521 -1.05323 -1.03188 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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 1.00783 1.00783 1.00783 4360.4891 47533.4191 48662.3012 1.00000 0.00090 -0.00069 -0.00087 0.99892 0.04642 0.00073 -0.04642 0.99892 1 0.01986 0.00182 0.00178 0.41388 0.03797 0.03709 19.11 21.88 42.58 48.10 61.68 70.54 93.64 111.48 133.07 157.99 202.97 238.86 257.49 265.49 276.84 297.44 305.82 323.52 340.60 351.87 369.67 390.91 398.20 425.05 433.80 440.07 466.64 492.04 523.69 533.97 548.60 609.11 618.65 635.22 664.26 672.49 679.96 696.48 716.57 723.46 736.46 741.09 786.86 801.77 807.32 816.62 849.09 915.66 918.42 931.91 1017.43 1034.35 1062.36 1089.10 1112.90 1133.01 1166.35 1184.74 1209.11 1216.94 1227.56 1255.27 1266.97 1274.54 1288.46 1312.57 1320.95 1330.80 1343.98 1371.23 1402.84 1410.21 1415.80 1444.71 1447.20 1471.24 1472.82 1473.84 1490.02 1521.34 1523.69 1524.41 1544.68 1552.72 1560.93 1586.24 1604.92 1611.69 1615.69 1618.26 1637.32 1646.49 1654.87 1663.65 1679.63 1694.58 1732.12 1734.39 1751.33 1753.24 1763.32 1793.12 1804.55 1812.21 1818.79 1819.11 1837.32 1848.00 1865.17 1871.26 1907.21 1907.97 1914.41 1928.34 1938.09 1938.48 1954.87 1981.83 1984.78 1994.61 2012.41 2030.39 2046.58 2054.64 2072.51 2085.18 2105.03 2105.88 2126.65 2133.04 2137.91 2145.38 2154.47 2167.89 2182.27 2201.50 2211.56 2238.83 2245.73 2247.29 2253.47 2259.97 2271.58 2274.19 2282.10 2285.68 2287.57 2337.26 2342.71 2348.00 2349.13 2355.22 2356.13 2356.31 2358.83 2366.82 2370.23 2372.07 2373.89 2375.04 2381.84 2390.62 2393.95 2406.84 2569.98 2612.01 2699.73 2842.74 2949.91 4589.83 4590.76 4612.07 4615.28 4618.73 4626.38 4630.38 4642.10 4642.60 4648.23 4658.96 4663.86 4684.49 4689.93 4698.26 4700.14 4700.83 4705.65 4707.09 4711.37 4730.47 4738.59 4742.24 4760.29 4768.01 4772.51 4779.75 4781.02 4789.21 4794.45 4816.56 4821.81 4827.57 4835.83 4855.16 4876.20 5312.20 5546.62 0.673458 0.701261 0.702205 0.612957 -1394.672432 -1394.644628 -1394.643684 -1394.732933 2.993426D-04 MUNgauss RevisionA2.0 retrievium 19-Dec-2020 DUDE C[C@]1(C(=O)N(C(=O)N1)C2Cc3ccccc3C2)C4CC[NH+](CC4)CC5=CC[C@@H]6C[C@H]5C6(C)C C43619451 RHF 6-31G(d) (6D,10F) C1 448.296403 |X|Y|Z| 158.859915 41.321358 33.301409 60.239844 28 6 7 25 3 |36.858105| |12.416870|36.858105| |7.618754|12.423121|36.858105| |6.218421|7.857462|15.970316|73.516695| |5.677469|8.131141|13.993659|14.809188|53.358707| |5.700160|8.122830|8.383962|9.887407|18.659793|36.858105| |4.376750|5.466308|5.582728|7.489514|11.257966|16.051163|73.516695| |7.688585|13.125998|8.300430|9.805667|11.660038|13.863853|14.813727|53.358707| |4.087998|5.059223|7.644702|11.673233|17.673070|7.513093|11.472841|7.117762|36.858105| |3.633352|4.054248|5.324123|8.490790|10.230564|5.940337|10.452245|5.859474|12.358465|36.858105| |2.846790|3.174696|3.974824|6.663130|7.018051|4.387877|8.148405|4.588755|8.056568|12.600801|36.858105| 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|2.577195|2.523438|2.296103|4.239048|2.710404|1.940384|3.101630|2.984400|1.782116|1.608988|1.464146|1.336116|1.249319|1.262183|1.368469|1.484966|1.659212|2.977031|3.078549|3.483716|6.374446|0.149007|4.384062|3.669109|5.063476|7.710626|6.817417|7.616633|12.321597|0.233119|36.858105| |2.630110|2.637254|2.341464|4.220775|2.787668|2.032445|3.255643|3.171318|1.812869|1.626445|1.480394|1.344134|1.258716|1.278410|1.393956|1.512711|1.705384|3.211533|3.516613|4.273477|8.074812|0.190875|4.794702|3.807673|7.273881|12.502644|7.825339|6.883866|9.039065|0.170644|12.282200|36.858105| |2.833026|2.804927|2.422661|4.292270|2.887229|2.136927|3.421102|3.389990|1.854878|1.669838|1.509223|1.367646|1.275409|1.291572|1.408822|1.536197|1.736721|3.415305|3.924721|4.753411|8.650574|0.225848|4.737029|3.932509|6.991767|8.675175|5.666118|4.943632|6.131447|0.131901|8.324911|17.496970|0.500000| |2.165413|2.167113|1.966380|3.549993|2.389321|1.744349|2.837183|2.667585|1.582176|1.436048|1.322855|1.212835|1.144361|1.163027|1.259021|1.351918|1.504420|2.547401|2.755771|3.257685|5.549715|0.122734|3.507336|2.911638|5.057824|7.520431|6.599640|7.432815|12.193905|0.232499|8.853113|12.133974|0.231619|36.858105| |2.046048|2.002331|1.809730|3.247361|2.216298|1.630243|2.670857|2.488600|1.470700|1.352607|1.244830|1.148257|1.082278|1.093646|1.176162|1.262209|1.393064|2.287384|2.493141|2.830803|4.570392|0.103693|2.917282|2.559575|3.824518|4.889116|4.338065|4.858692|7.407474|0.189703|6.653582|7.402339|0.189663|12.410098|36.858105| |1.951190|1.990256|1.818867|3.259494|2.244674|1.648829|2.707296|2.500333|1.496965|1.358412|1.262880|1.159919|1.101749|1.126131|1.219678|1.299977|1.444248|2.335806|2.546722|3.068576|4.971723|0.104139|3.122464|2.582839|4.791428|6.311034|5.986192|6.268197|7.132981|0.162522|5.330778|7.110423|0.162207|12.465318|7.712437|36.858105| |17.612206|8.760579|6.927667|11.795554|6.717576|4.575121|6.465239|7.608060|3.797852|3.379818|2.697971|2.331662|2.027590|1.976724|2.185061|2.581500|3.015444|6.588671|5.118119|3.871798|5.321282|0.115317|4.448324|6.778535|3.000874|2.798456|2.516078|2.263360|2.303130|0.058561|2.790685|2.764971|0.081689|2.261561|2.130790|2.006599|0.500000| |17.557598|8.749179|5.507707|8.311214|6.137246|4.852821|7.021000|9.204112|3.401934|3.093679|2.503625|2.175444|1.907962|1.869003|2.064685|2.417493|2.828872|6.661572|6.417942|4.370270|5.489442|0.121236|4.089504|5.624162|3.066874|2.767018|2.417949|2.157410|2.227298|0.056370|2.676427|2.778719|0.085293|2.273466|2.173591|2.039871|0.300233|0.500000| |17.579484|8.831872|6.997381|10.107131|7.991443|5.975059|8.385588|9.717506|4.325618|4.075059|3.085302|2.638581|2.239398|2.149220|2.370146|2.861431|3.324898|5.406996|4.555912|3.380508|4.320313|0.091332|3.416055|4.645122|2.534434|2.325176|2.106775|1.905915|1.934259|0.049671|2.265506|2.294484|0.068164|1.934016|1.846922|1.758395|0.302450|0.302246|0.500000| |7.050839|8.867501|5.927644|7.782324|8.353832|9.452873|13.337936|26.005006|4.264064|3.777525|3.028673|2.538296|2.218957|2.209193|2.509270|3.003945|3.694593|6.261259|6.229328|4.236397|4.703129|0.094681|3.457169|4.298589|2.761628|2.381579|2.124707|1.868463|1.869338|0.047450|2.132574|2.283386|0.068710|1.931396|1.823750|1.813160|0.141054|0.196536|0.189419|0.500000| |3.974092|4.787604|7.648504|14.005311|12.790719|5.694245|8.565909|6.136993|17.650790|8.889017|6.812364|4.760065|3.876433|3.876118|4.759284|6.811192|8.886630|3.939543|3.060879|2.642567|3.453473|0.067174|2.962147|3.583491|2.178268|1.998988|1.926942|1.734835|1.661783|0.043013|1.842520|1.851283|0.052142|1.614614|1.494097|1.520280|0.107633|0.090996|0.114239|0.103305|0.500000| |3.717059|3.920403|5.142280|8.675540|8.676372|5.017941|8.452059|5.364265|8.701509|17.563432|8.719891|6.551843|4.499929|3.912618|4.249699|5.863824|5.638660|3.084313|2.581133|2.204516|2.865664|0.057358|2.345150|2.811205|1.826224|1.701041|1.627966|1.495919|1.464253|0.038313|1.623894|1.623227|0.046229|1.433785|1.355807|1.346778|0.098648|0.086923|0.118435|0.097416|0.223710|0.500000| |3.719314|4.093486|4.961973|7.523512|9.664474|6.661487|13.017015|6.315264|8.739761|17.569484|8.861146|6.198985|4.434090|4.001050|4.500248|6.410113|6.484385|3.174951|2.738202|2.305203|2.897316|0.057692|2.308754|2.737789|1.844188|1.687987|1.599034|1.457039|1.429172|0.037239|1.579479|1.608409|0.046235|1.420731|1.345687|1.345990|0.093024|0.089510|0.118899|0.116519|0.175170|0.301212|0.500000| |2.408413|2.522083|2.977959|5.139052|4.781879|3.181567|5.931365|3.578303|4.496607|6.587743|8.885345|17.704912|8.899664|5.630007|4.922078|5.627210|4.205531|2.158588|1.910011|1.701020|2.213289|0.044202|1.766637|2.001489|1.460243|1.371966|1.329365|1.236974|1.208022|0.031920|1.310816|1.312793|0.037176|1.186378|1.129400|1.130504|0.064446|0.060039|0.073697|0.068276|0.117733|0.185255|0.164241|0.500000| |1.911056|2.035505|2.347964|4.105219|3.674604|2.497841|4.686879|2.891181|3.350389|4.023829|5.664770|8.920272|17.718913|8.917809|5.637425|4.966368|3.571856|1.823822|1.640804|1.501817|1.958644|0.038806|1.553988|1.706944|1.318635|1.241285|1.215260|1.133995|1.098420|0.029116|1.174349|1.179917|0.033184|1.078695|1.024182|1.039377|0.051483|0.048600|0.056569|0.055487|0.089897|0.105911|0.103018|0.214903|0.500000| |1.845959|2.030702|2.342087|4.089619|3.674741|2.501269|4.686894|2.901475|3.350244|3.571579|4.965635|5.637087|8.917600|17.718555|8.919603|5.664765|4.023744|1.871901|1.685032|1.567114|2.033123|0.039747|1.615540|1.742347|1.381401|1.289552|1.269535|1.175189|1.125313|0.029718|1.193404|1.208976|0.033844|1.106729|1.041374|1.076280|0.049608|0.047146|0.053328|0.055139|0.089887|0.089204|0.090977|0.124023|0.215594|0.500000| |2.171909|2.503908|2.954148|5.078372|4.782791|3.196084|5.931739|3.618237|4.496286|4.205106|5.626346|4.921927|5.630255|8.899963|17.702953|8.884175|6.587240|2.332034|2.061451|1.915018|2.451851|0.047184|1.968695|2.123388|1.652889|1.515900|1.487968|1.353842|1.284217|0.033593|1.366306|1.398268|0.039136|1.266097|1.177657|1.234008|0.057802|0.054979|0.061663|0.066993|0.117699|0.098663|0.105030|0.106980|0.124027|0.214899|0.500000| |3.217256|4.045066|4.893702|7.406255|9.664680|6.740326|13.010943|6.449607|8.735579|6.481962|6.409695|4.500244|4.001607|4.435042|6.201418|8.862160|17.566586|3.527082|3.020319|2.639840|3.228005|0.061770|2.587450|2.931414|2.080952|1.850374|1.764766|1.571616|1.505429|0.038844|1.638494|1.703934|0.048533|1.503575|1.395243|1.451107|0.081242|0.079648|0.091607|0.112658|0.175086|0.133428|0.174393|0.105027|0.090987|0.103038|0.164320|0.500000| |3.075270|3.863004|5.040368|8.435616|8.679464|5.065036|8.450862|5.478180|8.699750|5.637947|5.864159|4.250209|3.913350|4.500723|6.553465|8.720549|17.558327|3.552114|2.917786|2.631709|3.334061|0.063090|2.781031|3.114275|2.165877|1.943693|1.885914|1.676082|1.581170|0.040789|1.714397|1.763250|0.049478|1.555111|1.427046|1.498288|0.081091|0.075086|0.085206|0.094323|0.223572|0.127034|0.133450|0.098676|0.089218|0.105925|0.185289|0.301213|0.500000| |5.473384|8.975519|7.371322|11.030555|7.931336|5.630870|7.708004|9.738181|4.297924|3.298300|2.819913|2.344343|2.119366|2.195690|2.570634|3.007576|3.922843|17.502155|8.976000|6.989369|7.922965|0.137995|7.003466|8.917198|4.237746|3.411793|3.053968|2.517912|2.392602|0.059047|2.742461|2.972201|0.085895|2.410350|2.142876|2.260202|0.139473|0.137389|0.123995|0.156013|0.117122|0.086029|0.089661|0.061290|0.052710|0.055463|0.071435|0.110877|0.114721|0.500000| |5.255579|6.798999|4.639610|6.844320|5.752196|4.978087|7.486847|10.000903|3.228845|2.751114|2.367956|2.031402|1.844635|1.884104|2.142778|2.453186|3.007668|8.779505|17.596946|9.012972|7.602502|0.144954|4.906573|5.524289|4.133329|3.249834|2.763113|2.319891|2.305205|0.056950|2.647218|3.012828|0.092789|2.452909|2.251080|2.318927|0.122299|0.159776|0.121153|0.209881|0.083920|0.072085|0.079384|0.054112|0.046611|0.048092|0.059210|0.089724|0.083018|0.215886|0.500000| |6.397522|6.690719|4.428848|6.911424|5.087441|4.080113|6.101067|7.825612|2.912513|2.544516|2.172150|1.892938|1.710895|1.722179|1.924203|2.195357|2.612295|8.760205|17.518919|8.888233|9.297087|0.207708|5.691193|6.825295|4.577060|3.746966|3.066511|2.596789|2.667298|0.065305|3.225340|3.659730|0.117661|2.843202|2.634265|2.570258|0.155197|0.222482|0.135172|0.164565|0.078297|0.069051|0.072542|0.051204|0.043625|0.044055|0.052648|0.075071|0.072092|0.174096|0.302940|0.500000| |3.641248|4.503135|3.732002|6.117060|4.527899|3.472604|5.391783|5.766525|2.757792|2.313014|2.079066|1.806589|1.681142|1.749710|1.993410|2.213123|2.684470|6.780076|8.781958|17.604295|12.442778|0.182174|7.023774|5.748646|7.061137|4.599269|3.827234|2.960433|2.796414|0.067067|3.125860|3.760182|0.110780|2.992657|2.576051|2.912830|0.095559|0.103729|0.085774|0.110577|0.075073|0.061034|0.064217|0.047695|0.042682|0.045332|0.056430|0.077727|0.078389|0.206281|0.215692|0.173369|0.500000| |3.591642|4.027693|3.200412|5.242412|3.902182|3.071883|4.865284|5.212812|2.386135|2.080253|1.859662|1.641466|1.523145|1.563093|1.747825|1.933777|2.278839|5.483922|8.793001|17.624834|12.384754|0.224695|5.617228|4.907598|7.160502|4.817630|3.727394|2.973968|2.976306|0.070990|3.401114|4.340306|0.140050|3.374497|2.982025|3.237546|0.093817|0.109715|0.084516|0.106957|0.064637|0.055664|0.058654|0.043932|0.039040|0.040612|0.048932|0.066064|0.064794|0.141865|0.213754|0.215972|0.301528|0.500000| |3.722281|4.512146|4.187609|7.670508|4.691777|3.236361|4.892349|5.071239|2.941123|2.411129|2.167636|1.881572|1.747266|1.815479|2.067981|2.302158|2.781720|6.840635|5.788568|7.056173|12.442393|0.182268|17.601984|8.782741|7.012312|5.435606|4.946193|3.667951|3.258705|0.077386|3.725407|4.094997|0.110366|3.177913|2.637430|2.953345|0.106637|0.098964|0.086754|0.092246|0.084954|0.065063|0.064460|0.049662|0.044309|0.046931|0.058330|0.076186|0.083826|0.208459|0.129989|0.132813|0.212934|0.144349|0.500000| |3.695243|4.006859|3.678384|7.004693|4.058405|2.792114|4.261293|4.378358|2.579070|2.193718|1.961736|1.732869|1.603373|1.639460|1.829055|2.028954|2.371628|5.487125|4.894962|5.623350|12.388210|0.224386|17.665082|8.780476|7.141797|7.059324|6.282731|4.687014|4.239305|0.097785|5.322156|5.418220|0.139094|3.895721|3.159758|3.352168|0.112605|0.100054|0.085525|0.081964|0.075424|0.060738|0.058726|0.046437|0.041077|0.042492|0.050930|0.064279|0.069808|0.142100|0.107934|0.127527|0.144307|0.126883|0.301613|0.500000| |6.807882|6.614330|5.239517|9.550312|5.279445|3.657744|5.329733|6.181156|3.116752|2.664188|2.264791|1.973459|1.775626|1.779339|1.983824|2.272508|2.686778|8.774133|6.870677|5.751482|9.412320|0.211889|8.906698|17.526276|4.604742|4.232713|3.625203|3.092249|3.115531|0.075989|3.998524|4.034751|0.118648|3.037911|2.726918|2.618544|0.227761|0.181550|0.137879|0.114793|0.089697|0.074860|0.072367|0.053509|0.045252|0.045393|0.053985|0.073080|0.075961|0.173664|0.139900|0.201386|0.133089|0.129154|0.173422|0.214468|0.500000| |5.705642|6.739310|6.726215|14.295968|6.284665|3.965943|5.663418|6.227279|3.763091|3.035306|2.589157|2.213609|1.991208|2.017770|2.289415|2.648377|3.213409|8.777611|5.524468|4.890912|7.596098|0.145787|8.969561|17.630225|4.115852|3.751839|3.463580|2.932173|2.789255|0.068934|3.352338|3.335425|0.092992|2.645503|2.336203|2.362432|0.184132|0.135149|0.125868|0.108139|0.113593|0.084759|0.079509|0.059111|0.050186|0.051169|0.062534|0.084658|0.093848|0.212826|0.123162|0.139682|0.128389|0.107848|0.212696|0.213311|0.303953|0.500000| |2.783842|3.134891|2.827566|5.012273|3.400641|2.474866|3.930607|3.848689|2.196385|1.887820|1.735728|1.543936|1.456366|1.513849|1.693231|1.835531|2.139866|4.210986|4.547867|6.802279|12.369844|0.182174|7.177866|4.657354|17.629544|8.841839|7.259118|4.615997|3.968868|0.090316|4.188736|5.388570|0.140010|4.215688|3.254770|4.227282|0.078084|0.078512|0.067065|0.074368|0.061958|0.050917|0.051480|0.041025|0.037426|0.039732|0.048115|0.059989|0.063355|0.120830|0.109390|0.111943|0.206439|0.169372|0.219641|0.183601|0.114717|0.112193|0.500000| |2.785266|3.014930|2.605767|4.513900|3.164107|2.373223|3.807694|3.773710|2.022315|1.776349|1.621582|1.452180|1.364495|1.405081|1.556758|1.690966|1.950847|3.930739|4.770444|7.463359|12.416113|0.218249|5.604271|4.162230|17.593196|8.906719|5.927550|4.261719|4.134976|0.093326|4.478341|6.689101|0.197406|5.006818|3.930620|5.028463|0.077050|0.081903|0.067050|0.075481|0.056222|0.048086|0.049193|0.038909|0.035234|0.036875|0.043882|0.055329|0.056470|0.105989|0.115455|0.125350|0.188302|0.234288|0.146729|0.143919|0.110675|0.096945|0.301096|0.500000| |2.319972|2.496808|2.370838|4.392940|2.852379|2.016609|3.234702|3.026595|1.908782|1.669650|1.555124|1.405466|1.335310|1.382520|1.524196|1.631132|1.850481|3.093761|3.089463|3.831980|6.878717|0.124951|5.125884|3.667257|6.995946|9.055494|17.674590|8.513298|5.439954|0.121181|4.992579|5.529025|0.123531|4.880433|3.509834|4.826337|0.067437|0.064356|0.057118|0.058445|0.055082|0.045762|0.044962|0.037554|0.034609|0.036548|0.043225|0.050763|0.054955|0.087052|0.075710|0.080848|0.108674|0.099025|0.147656|0.166899|0.095114|0.096386|0.218738|0.149905|0.500000| |2.118200|2.165059|2.079066|3.926093|2.494360|1.749299|2.820019|2.600195|1.690857|1.515055|1.409492|1.292063|1.224972|1.251438|1.357250|1.450233|1.609049|2.534696|2.493457|2.843549|4.944292|0.100673|3.786387|3.070468|4.223919|6.002394|8.903099|17.519415|8.794761|0.211779|6.669834|5.397712|0.115273|5.444017|4.030305|4.634582|0.063233|0.058843|0.052850|0.050689|0.049244|0.042283|0.040725|0.034932|0.032029|0.033134|0.038050|0.043686|0.047096|0.068664|0.061367|0.068526|0.076610|0.075118|0.099705|0.130020|0.085388|0.083321|0.112922|0.100438|0.204668|0.500000| |1.916582|1.974661|1.874758|3.466134|2.290309|1.633374|2.662049|2.429276|1.553133|1.397790|1.308689|1.202855|1.146720|1.176074|1.274453|1.352826|1.498361|2.312815|2.355385|2.758332|4.639304|0.093383|3.303821|2.675842|4.278940|6.036624|8.926005|17.529636|8.740899|0.208795|5.514428|5.404714|0.115387|6.514046|4.496292|6.577239|0.055993|0.053916|0.048101|0.047840|0.044675|0.038705|0.037861|0.032468|0.030038|0.031274|0.035910|0.041118|0.043780|0.063278|0.058970|0.064510|0.075143|0.075239|0.089152|0.105872|0.073793|0.071069|0.115458|0.107264|0.206206|0.304449|0.500000| |2.786833|2.733736|2.518544|4.738432|2.924277|2.060776|3.262391|3.162292|1.921529|1.721837|1.560706|1.418714|1.322387|1.335447|1.451852|1.582296|1.774525|3.244325|3.221253|3.574915|6.708688|0.153935|5.055649|4.210087|5.009530|7.201226|6.815397|7.127650|8.436759|0.181965|17.565162|8.428074|0.180892|6.084738|4.825721|4.298448|0.085622|0.078903|0.067530|0.061954|0.055747|0.048466|0.046606|0.038625|0.034441|0.034974|0.040198|0.048286|0.051135|0.082731|0.075926|0.092739|0.089648|0.093373|0.116494|0.184681|0.128066|0.108865|0.118593|0.117172|0.145153|0.198286|0.141337|0.500000| |2.538878|2.421238|2.193988|4.033558|2.601323|1.871296|3.003668|2.876370|1.712083|1.563665|1.419220|1.301260|1.214010|1.219509|1.315037|1.428024|1.584801|2.777688|2.888547|3.154517|5.481098|0.131158|3.765846|3.354415|4.137049|5.551294|4.927474|5.519270|8.632617|0.207196|17.657529|8.598537|0.205085|7.311458|7.048041|4.611294|0.076616|0.074037|0.062483|0.057632|0.049029|0.044068|0.042811|0.035651|0.031794|0.032021|0.036308|0.043504|0.045120|0.070288|0.069670|0.086120|0.077989|0.086764|0.089209|0.121671|0.104446|0.085531|0.096558|0.106360|0.108125|0.141637|0.122266|0.300904|0.500000| |2.140952|2.057117|1.856071|3.343119|2.259407|1.656833|2.705749|2.533644|1.496583|1.381878|1.265514|1.168365|1.096985|1.103415|1.184199|1.275409|1.405040|2.324388|2.510057|2.774581|4.493947|0.104495|2.926107|2.630166|3.569350|4.492567|3.982637|4.464780|6.870539|0.184402|7.264438|6.878079|0.184635|8.629447|17.609363|5.521463|0.062560|0.063383|0.053664|0.051625|0.042327|0.038692|0.038184|0.032035|0.028854|0.029123|0.032794|0.038967|0.039826|0.059738|0.062554|0.074853|0.069354|0.080173|0.072306|0.088703|0.079551|0.066849|0.084332|0.099628|0.090340|0.108154|0.110930|0.145134|0.255723|0.500000| |1.837988|1.803267|1.650748|2.971173|2.037420|1.495122|2.464348|2.257592|1.364891|1.261170|1.168085|1.082780|1.024689|1.035844|1.109841|1.184682|1.299068|2.035271|2.190254|2.461708|3.894247|0.086196|2.552212|2.259502|3.255296|4.065015|3.845250|4.509899|6.517023|0.190051|5.287197|5.439711|0.137538|8.816845|17.556053|7.076879|0.053119|0.053812|0.046551|0.045916|0.038562|0.035135|0.034810|0.029601|0.027014|0.027487|0.030904|0.036094|0.036993|0.053506|0.055603|0.063670|0.063365|0.071596|0.065271|0.076718|0.066209|0.058168|0.079679|0.092494|0.088981|0.105982|0.122581|0.113494|0.154215|0.303014|0.500000| |2.045424|2.003436|1.791375|3.177606|2.208497|1.642537|2.702471|2.519819|1.459571|1.345281|1.237144|1.140676|1.074931|1.086371|1.168779|1.254665|1.386177|2.284595|2.549760|2.905837|4.546556|0.103417|2.818557|2.496738|3.784012|4.513311|3.864186|4.035866|5.437887|0.137532|5.269472|6.490967|0.189379|8.795899|17.542324|7.079985|0.058413|0.061034|0.051361|0.051755|0.040901|0.037327|0.037386|0.031164|0.028252|0.028733|0.032514|0.038802|0.039306|0.059379|0.064573|0.075345|0.072980|0.087420|0.071077|0.082447|0.073733|0.062669|0.088960|0.113215|0.089342|0.094363|0.105793|0.113197|0.153463|0.302474|0.302271|0.500000| |1.949818|1.989658|1.798666|3.186290|2.234590|1.660091|2.737921|2.529743|1.483953|1.350077|1.253940|1.151364|1.093248|1.117291|1.210341|1.290590|1.435114|2.329926|2.603636|3.157800|4.929384|0.103699|2.996618|2.515366|4.691830|5.535364|4.875210|4.730451|5.326054|0.126168|4.536987|6.283270|0.161965|8.815890|7.095595|17.531267|0.055071|0.057188|0.048878|0.051401|0.041561|0.037061|0.037371|0.031177|0.028648|0.029658|0.034015|0.040317|0.041185|0.062516|0.066565|0.073344|0.082768|0.095667|0.078823|0.086679|0.070897|0.063256|0.113777|0.147644|0.114455|0.103626|0.134204|0.103937|0.113896|0.143035|0.175980|0.216261|0.500000| 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