Version2.1 2021-01-09T17:11:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](C(=O)Nc1c(c2c(s1)CCC2)C(=O)N)N3CC[NH+](CC3)CC(=O)N4CCCCCC4 C22792023 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)Nc1c(c2c(s1)CCC2)C(=O)N)N3CC[NH+](CC3)CC(=O)N4CCCCCC4 C01[X(C23H36N5O3S1)] 198 C1 556 C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CC[NH+](CC1)CC(=O)N1CCCCCC1 C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CC[NH+](CC1)CC(=O)N1CCCCCC1 C[C@@H](N1CC[NH+](CC1)CC(=O)N2CCCCCC2)C(=O)Nc3sc4CCCc4c3C(N)=O InChIKey=LTIMATCGUAFIAO-MRXNPFEDSA-O InChI=1S/C23H35N5O3S/c1-16(22(31)25-23-20(21(24)30)17-7-6-8-18(17)32-23)27-13-11-26(12-14-27)15-19(29)28-9-4-2-3-5-10-28/h16H,2-15H2,1H3,(H2,24,30)(H,25,31)/p+1/t16-/m1/s1 InChI=1/C23H35N5O3S/c1-16(22(31)25-23-20(21(24)30)17-7-6-8-18(17)32-23)27-13-11-26(12-14-27)15-19(29)28-9-4-2-3-5-10-28/h16H,2-15H2,1H3,(H2,24,30)(H,25,31)/p+1/t16-/m1/s1/fC23H36N5O3S/h25-26H,24H2/q+1 C[C@H](C(=O)Nc1c(c2c(s1)CCC2)C(=O)N)N3CC[NH+](CC3)CC(=O)N4CCCCCC4 C01[X(C23H36N5O3S1)] 198 C01 556 C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)N1CC[NH+](CC1)CC(=O)N1CCCCCC1 O=C([C@H](N1CC[NH](CC1)C[C]([N]1CCCCCC1)=O)C)N[C]1SC2=[C]([C]1[C]([NH2])=O)CCC2 C[C@@H](N1CC[NH](CC1)CC(=O)N2CCCCCC2)C(=O)N[C]3SC4=C(CCC4)[C]3C(N)=O InChIKey=AACTYZOZZQGNTI-MRXNPFEDSA-N InChI=1S/C23H36N5O3S/c1-16(22(31)25-23-20(21(24)30)17-7-6-8-18(17)32-23)27-13-11-26(12-14-27)15-19(29)28-9-4-2-3-5-10-28/h16,26H,2-15H2,1H3,(H2,24,30)(H,25,31)/t16-/m1/s1 InChI=1/C23H36N5O3S/c1-16(22(31)25-23-20(21(24)30)17-7-6-8-18(17)32-23)27-13-11-26(12-14-27)15-19(29)28-9-4-2-3-5-10-28/h16,26H,2-15H2,1H3,(H2,24,30)(H,25,31)/t16-/m1/s1/f/h25H,24H2 3404.8576041514 -1786.1297791 1-A 29688.7895 124 432 556 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|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|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| 10.1146 13.5767 21.6653 28.3123 44.6112 52.5422 63.3792 63.4921 75.4777 96.6732 108.3491 118.7150 130.3348 139.9767 143.2777 165.9788 177.9924 190.0785 210.9711 222.4912 228.6150 241.7883 247.9230 263.7370 278.7304 281.9612 295.8464 305.7660 316.5521 327.4051 338.0305 358.8676 368.8853 381.7179 392.4070 407.6837 414.7579 433.4733 471.5312 475.6823 485.1013 513.3378 523.8272 537.9349 545.0660 568.3705 579.3819 594.3276 620.0063 641.4689 649.2924 688.4152 693.0886 698.8049 721.5152 735.6894 764.0151 793.6273 817.2568 835.9871 841.6871 853.0417 870.9822 883.1224 888.5852 905.6872 910.4141 910.9822 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238.81 256.09 273.48 303.54 320.12 328.93 347.88 356.71 379.46 401.03 405.68 425.66 439.93 455.45 471.06 486.35 516.33 530.74 549.21 564.59 586.57 596.74 623.67 678.43 684.40 697.95 738.58 753.67 773.97 784.23 817.76 833.60 855.10 892.05 922.93 934.19 990.48 997.20 1005.42 1038.10 1058.49 1099.25 1141.85 1175.85 1202.80 1211.00 1227.34 1253.15 1270.62 1278.48 1303.08 1309.88 1310.70 1337.96 1359.22 1384.33 1402.87 1410.71 1439.26 1449.12 1466.16 1481.55 1541.76 1543.19 1560.57 1574.43 1577.61 1580.11 1609.04 1615.57 1630.43 1640.57 1649.04 1673.91 1694.05 1695.75 1717.70 1732.97 1737.92 1739.18 1768.00 1803.07 1816.38 1841.93 1860.26 1874.43 1882.59 1900.57 1913.52 1936.72 1939.01 1941.53 1952.07 2001.08 2007.21 2021.29 2030.49 2040.56 2059.51 2063.99 2084.45 2098.65 2117.06 2121.17 2123.76 2128.19 2137.76 2156.02 2160.12 2173.24 2198.46 2209.44 2215.94 2217.27 2224.55 2227.98 2237.71 2240.22 2248.07 2257.29 2268.71 2285.76 2323.10 2332.33 2339.66 2342.37 2349.34 2351.76 2352.59 2358.17 2359.86 2366.11 2371.07 2371.35 2378.85 2381.42 2382.87 2383.63 2396.37 2396.52 2401.63 2525.53 2563.12 2588.77 2723.12 2724.15 2795.23 4585.15 4587.07 4601.64 4611.13 4618.70 4620.00 4625.53 4641.67 4642.16 4648.62 4651.13 4651.21 4667.73 4669.85 4677.74 4680.48 4683.29 4686.35 4700.70 4706.48 4710.85 4715.17 4727.96 4730.86 4733.65 4743.67 4760.46 4776.57 4794.74 4807.45 4808.65 4821.65 5178.39 5352.86 5541.91 5745.18 0.638893 0.668390 0.669335 0.574778 -1785.490886 -1785.461389 -1785.460444 -1785.555001 3.171457D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE C[C@H](C(=O)Nc1c(c2c(s1)CCC2)C(=O)N)N3CC[NH+](CC3)CC(=O)N4CCCCCC4 C22792023 RHF 6-31G(d) (6D,10F) C1 462.253887 |X|Y|Z| 53.503287 26.442171 161.638133 61.151503 26 6 7 16 21 4 1 |36.858105| |12.409951|36.858105| |8.965587|17.554453|0.500000| |7.541327|12.409485|0.248594|36.858105| |5.608088|7.936042|0.169328|15.847732|73.516695| |6.274631|7.861163|0.204566|14.109570|15.034971|53.358707| |4.421175|5.056479|0.134313|7.776856|11.853638|18.709782|36.858105| |3.682659|3.941120|0.109530|5.151878|8.024703|10.665782|13.928045|36.858105| |2.947044|3.141561|0.086208|4.004171|6.786170|7.110882|8.231642|13.157474|36.858105| |2.864764|3.123433|0.083612|4.111161|7.465623|6.788190|7.762317|8.196567|14.270794|36.858105| |3.524058|4.053200|0.104141|6.007846|11.851552|9.428917|10.963327|7.332879|7.422098|11.012880|388.023441| |2.352867|2.523742|0.067784|3.146965|5.830545|4.880468|4.817731|5.153339|7.977565|12.686710|45.821396|36.858105| |2.168859|2.291870|0.062873|2.758759|4.920750|4.370133|4.181022|4.972586|7.964795|8.090412|33.295389|12.283959|36.858105| |2.426783|2.529878|0.070092|3.042770|5.214363|5.076487|4.997178|6.937238|12.592348|8.125535|34.375784|7.639883|12.276203|36.858105| |3.733653|3.806370|0.110509|4.472221|6.664390|8.893091|7.664915|12.849432|7.228056|5.077622|33.705994|3.797288|3.941059|5.512771|36.858105| |4.448376|4.453731|0.134813|4.902417|6.900280|9.751704|6.699694|8.057802|5.122615|4.069111|29.704763|3.147562|3.176440|4.086989|15.657592|73.516695| |3.020538|3.014945|0.087277|3.404275|5.305420|6.098620|5.188135|7.876383|6.344765|4.421475|27.093108|3.594570|4.027303|5.950395|14.182037|15.241297|53.358707| |7.668484|13.076925|0.259493|7.627461|12.165277|7.041002|3.867319|3.117823|2.632536|2.689390|24.549052|2.251594|2.033496|2.181073|2.973442|5.936375|3.352821|53.358707| |5.023082|7.805393|0.204963|6.280082|10.983598|6.246266|3.629716|2.954326|2.551476|2.639917|23.995168|2.233972|2.016237|2.128315|2.779092|5.435426|3.169548|17.893506|36.858105| |3.923102|5.096824|0.137037|4.236774|7.657439|4.583563|2.818979|2.390929|2.123889|2.198665|19.199860|1.918628|1.747368|1.822265|2.281487|4.414127|2.681256|10.684352|12.535665|36.858105| |3.679161|4.438103|0.111569|3.857650|7.348120|4.155394|2.616852|2.221154|2.005125|2.103117|18.404030|1.858353|1.675834|1.730636|2.096867|3.996247|2.486901|9.086297|7.700700|12.679554|53.358707| |3.450413|4.216619|0.104909|3.930826|7.897023|4.211373|2.703066|2.272549|2.075539|2.212513|19.634530|1.961470|1.747404|1.785257|2.105873|3.956194|2.496336|8.126543|7.183920|9.385413|25.544732|0.500000| |4.476688|5.055588|0.119278|4.178463|7.806426|4.417764|2.731118|2.308953|2.061281|2.147467|18.859932|1.883905|1.697965|1.771775|2.193806|4.214794|2.590312|10.693347|6.656597|7.718851|17.305293|0.255522|36.858105| |6.312553|7.655912|0.157431|6.099328|11.423071|5.856530|3.453505|2.808445|2.448574|2.555824|23.367222|2.181828|1.943995|2.051753|2.629449|5.085721|3.026746|17.869704|7.977275|6.644388|10.478827|0.197159|12.524333|36.858105| |2.932226|3.338798|0.086988|2.966644|5.573056|3.360511|2.174928|1.894866|1.736782|1.814728|15.401352|1.634617|1.488750|1.527404|1.807034|3.421951|2.182418|6.099934|4.996439|7.670541|17.451005|0.264928|7.632353|4.982953|36.858105| |2.506300|2.883516|0.076235|2.694552|5.165848|3.109757|2.063080|1.806772|1.682800|1.776099|14.973632|1.619364|1.470655|1.489198|1.705545|3.185571|2.073713|4.980591|4.299797|6.007701|10.636922|0.226700|5.098563|3.936384|12.388715|36.858105| |2.563001|3.021871|0.079351|2.923187|5.766723|3.345219|2.237316|1.938015|1.814671|1.939340|16.581071|1.766097|1.586974|1.595281|1.801956|3.338567|2.179984|5.174802|4.646891|6.032042|10.169933|0.265975|4.893801|4.077921|8.142768|15.735061|73.516695| |2.157330|2.423026|0.065024|2.274244|4.298738|2.692117|1.808740|1.610103|1.511550|1.587550|13.108413|1.464178|1.341522|1.354390|1.531607|2.851663|1.883329|4.020616|3.372305|4.436003|7.059149|0.144586|3.891533|3.120492|7.717311|14.336470|15.023890|53.358707| |1.918093|2.154757|0.058234|2.075982|3.947718|2.496690|1.706948|1.530332|1.454279|1.535249|12.545735|1.431796|1.312553|1.312443|1.448422|2.670957|1.792692|3.461890|2.918274|3.592797|5.387429|0.115808|3.111312|2.649594|4.989243|7.961092|12.458361|17.609495|36.858105| |1.780998|1.970433|0.052671|1.928348|3.704085|2.331444|1.613262|1.450861|1.392275|1.479044|12.024675|1.393461|1.272394|1.263040|1.366157|2.499676|1.699276|3.115525|2.547207|2.997988|4.637098|0.101856|2.828192|2.443763|4.119627|5.847440|9.935659|10.395077|12.463764|36.858105| |1.640142|1.778792|0.047608|1.725645|3.276322|2.104328|1.457078|1.321864|1.268959|1.339182|10.769486|1.266623|1.164416|1.159114|1.254735|2.298869|1.570412|2.785048|2.217386|2.589358|4.000558|0.084913|2.548901|2.192516|3.595039|4.546347|7.293976|8.145824|7.390689|12.446566|36.858105| |1.715942|1.841078|0.049151|1.754145|3.300949|2.129476|1.459770|1.323690|1.260737|1.322074|10.654657|1.242562|1.145448|1.149275|1.265246|2.333941|1.581276|2.911573|2.280295|2.712464|4.279418|0.087857|2.770567|2.313076|4.041742|4.765507|7.085020|8.714552|6.174522|7.341500|12.423925|36.858105| |1.775337|1.912794|0.051645|1.792101|3.328089|2.176403|1.478561|1.342609|1.269187|1.321112|10.641676|1.233857|1.143967|1.155346|1.293325|2.403121|1.614080|3.047703|2.412284|2.953607|4.530208|0.089825|2.872495|2.368456|4.459143|5.141298|7.196120|10.315239|6.517659|5.949910|7.409920|12.402090|36.858105| |2.048276|2.242602|0.060539|2.067872|3.835233|2.474839|1.658537|1.491640|1.396579|1.452614|11.851221|1.342077|1.240470|1.259514|1.436336|2.687571|1.776748|3.677908|2.968630|3.850952|6.000158|0.115276|3.586382|2.845325|6.625731|7.740732|9.421428|17.676751|7.504497|5.676590|5.605719|7.358826|12.441033|36.858105| |17.586675|8.844296|0.211206|5.505529|7.919635|6.429495|3.562974|3.086078|2.540017|2.468876|20.982605|2.077378|1.936503|2.147765|3.189606|6.725907|3.635569|9.832080|4.801668|4.006315|5.109400|0.094469|4.667616|6.022733|3.049831|2.543794|4.519663|3.000255|1.935755|1.786789|1.659540|1.756916|1.836166|2.128761|0.500000| |17.597952|8.801592|0.221213|6.741386|8.750208|9.181901|4.759297|4.128691|3.190358|2.995677|25.318287|2.436023|2.284875|2.622326|4.426841|9.919143|4.780691|7.625310|4.173202|3.322486|4.191110|0.081359|3.575822|4.688631|2.533271|2.217861|4.042406|2.640347|1.749304|1.629942|1.506754|1.567337|1.620695|1.848505|0.301738|0.500000| |17.578954|8.698658|0.173877|6.944832|10.178096|7.750403|4.296837|3.558209|2.922790|2.895293|25.563266|2.395698|2.177864|2.412501|3.489541|7.035958|3.906992|8.968929|4.465360|3.613766|4.890411|0.095378|4.533388|6.568077|2.880213|2.469034|4.505038|2.891625|1.892279|1.782007|1.646202|1.723109|1.760222|2.014296|0.299972|0.303145|0.500000| |6.576545|7.476679|0.220188|9.277273|10.775945|25.829664|9.552157|7.507979|4.836959|4.322913|37.513281|3.226119|3.019793|3.608649|7.737312|18.311275|6.857145|6.559592|4.231365|3.189218|3.880184|0.078609|3.041585|3.912397|2.343693|2.152866|4.053960|2.563295|1.742581|1.620677|1.474094|1.499357|1.543334|1.752334|0.139596|0.221638|0.154448|0.500000| |2.210769|2.409400|0.064887|2.981031|5.640050|4.477938|4.235941|4.305168|5.930574|8.754815|41.618277|17.569659|8.663048|5.658817|3.291066|5.007803|4.218958|2.985980|2.218878|1.920418|2.533576|0.055013|1.860877|2.131661|1.644459|1.649044|3.221608|2.032813|1.472914|1.436664|1.299181|1.265196|1.253067|1.360407|0.054689|0.062719|0.062296|0.081927|0.500000| |2.290540|2.410796|0.063887|2.974050|5.570101|4.508149|4.294786|4.475714|6.295419|8.870191|40.530776|17.531771|8.652562|6.189382|3.425964|5.144719|4.450726|2.949923|2.122733|1.840372|2.461750|0.053058|1.851796|2.140202|1.597051|1.578052|3.049843|1.945129|1.395542|1.368489|1.249589|1.227866|1.212812|1.313749|0.056296|0.065584|0.065867|0.082921|0.302679|0.500000| |2.051984|2.196661|0.060976|2.615317|4.664414|4.101641|3.820123|4.449207|6.478157|6.559886|30.084730|8.809306|17.582181|8.812189|3.646211|5.333523|5.077979|2.677870|1.981820|1.725497|2.235658|0.047603|1.645058|1.866387|1.465618|1.458052|2.802067|1.816446|1.313017|1.269268|1.158925|1.135592|1.136664|1.231749|0.051299|0.059765|0.056645|0.079255|0.225630|0.175695|0.500000| |1.981720|2.062709|0.056396|2.434084|4.354365|3.780590|3.476337|4.041846|5.798138|5.854840|27.363421|8.650757|17.594396|8.653855|3.387554|4.967445|4.840056|2.516162|1.824233|1.601509|2.107674|0.044767|1.574290|1.785844|1.387298|1.371115|2.618180|1.711991|1.232877|1.201621|1.105568|1.087832|1.083395|1.168131|0.049577|0.057890|0.055655|0.073303|0.189333|0.219863|0.303042|0.500000| |2.377295|2.412644|0.066347|2.850820|4.866011|4.701512|4.448364|6.008458|8.826639|6.354888|30.042885|6.189785|8.676763|17.499445|5.203862|6.968297|8.102712|2.831801|2.000238|1.726377|2.250501|0.047169|1.710756|1.977055|1.465367|1.420753|2.688735|1.763462|1.251706|1.208940|1.115957|1.110759|1.115026|1.211845|0.058633|0.071883|0.066325|0.094159|0.129908|0.159168|0.176158|0.221160|0.500000| |2.309065|2.414370|0.068171|2.835092|4.791037|4.720815|4.427608|6.130697|8.719609|6.013035|29.063979|5.669689|8.704224|17.552723|5.495335|7.296407|8.769390|2.841147|2.054669|1.768223|2.263694|0.047406|1.691518|1.940664|1.475696|1.440619|2.733386|1.791358|1.277445|1.223985|1.124748|1.115262|1.126328|1.227450|0.057383|0.069645|0.062820|0.095916|0.130197|0.130026|0.227295|0.190231|0.301809|0.500000| |2.705580|2.712387|0.077273|3.100098|4.980458|5.391513|4.787303|7.256291|7.062199|4.735700|26.938819|3.988685|4.745281|7.720450|9.239164|10.830834|26.164179|3.081546|2.156971|1.842220|2.348540|0.048427|1.791135|2.078774|1.522770|1.457469|2.731816|1.807364|1.271091|1.211715|1.120500|1.124095|1.142096|1.250768|0.066794|0.085357|0.072790|0.117599|0.093378|0.100522|0.119197|0.116926|0.226364|0.239584|0.500000| |2.913163|2.850829|0.083496|3.093001|4.802253|5.352857|4.255418|5.739604|4.765347|3.594604|22.904963|3.030254|3.368835|4.628519|9.498037|13.984709|26.048741|3.194014|2.210292|1.891419|2.383350|0.048450|1.827860|2.113648|1.547490|1.464573|2.716803|1.819025|1.269573|1.201440|1.115486|1.127140|1.154526|1.269205|0.072901|0.094978|0.076222|0.125765|0.074172|0.077892|0.088236|0.085011|0.131725|0.140698|0.310084|0.500000| |4.437163|6.657962|0.168617|6.615157|13.203266|6.470236|3.901343|3.098854|2.721776|2.892398|27.227862|2.440420|2.160382|2.247195|2.811954|5.348462|3.201621|12.217429|17.504505|8.858262|9.360458|0.209526|5.785994|7.097624|4.618981|4.293888|8.862566|4.550193|2.980814|2.638182|2.255437|2.272292|2.356942|2.856021|0.113020|0.105472|0.114831|0.115889|0.068097|0.064151|0.059083|0.053965|0.058124|0.059776|0.061168|0.061194|0.500000| |4.781218|7.371659|0.234363|5.915945|9.553965|6.384195|3.684190|3.055644|2.605679|2.644270|23.450895|2.227756|2.042910|2.177979|2.933938|5.833262|3.334346|12.471184|17.588552|9.025371|7.642339|0.145805|4.974360|5.726140|4.154769|3.710120|7.020905|4.143574|2.694141|2.337851|2.050900|2.098446|2.243011|2.726727|0.127871|0.116021|0.113244|0.124819|0.061384|0.058109|0.056246|0.051103|0.056497|0.059162|0.062424|0.064896|0.302091|0.500000| |3.277977|4.167974|0.115534|3.703652|6.806850|4.156439|2.634119|2.260979|2.039086|2.121525|18.291149|1.872212|1.708787|1.764491|2.147955|4.104923|2.549071|7.686503|8.808021|17.648962|12.387617|0.228926|5.632970|4.980160|7.169730|6.762990|12.575046|6.785742|4.120693|3.289322|2.764224|2.832726|3.118799|4.111112|0.091784|0.079786|0.084649|0.080288|0.052606|0.049650|0.047284|0.043509|0.046180|0.047786|0.048936|0.049903|0.215613|0.212743|0.500000| |3.928366|4.837267|0.135030|3.819085|6.608881|4.268609|2.614695|2.261404|1.998246|2.037075|17.399270|1.783802|1.645798|1.730410|2.207073|4.326317|2.612038|9.645537|8.837813|17.625359|12.405549|0.182362|7.034602|5.841252|7.038260|5.190391|8.572225|5.622666|3.310621|2.763717|2.458866|2.631504|2.936547|3.840696|0.117075|0.092789|0.098454|0.084943|0.049282|0.047618|0.045128|0.042088|0.045816|0.046921|0.049605|0.051730|0.173454|0.216886|0.298410|0.500000| |3.846894|4.130464|0.098221|3.638524|6.984748|3.952473|2.515952|2.147168|1.947959|2.045496|17.802250|1.818689|1.632843|1.689077|2.028144|3.843031|2.420923|7.690759|4.982502|5.625271|12.382661|0.222502|17.615843|8.817201|7.101309|4.990674|8.456258|5.295707|3.120869|2.938124|2.680959|2.945297|2.960996|3.610270|0.109923|0.087732|0.112918|0.075279|0.050005|0.050146|0.043817|0.042336|0.045536|0.044600|0.046893|0.047422|0.130143|0.109309|0.126973|0.143649|0.500000| |4.486201|4.791713|0.117533|3.770377|6.697420|4.127247|2.540934|2.189031|1.943881|1.994393|17.129420|1.754549|1.602979|1.685478|2.124641|4.131906|2.524860|9.621388|5.835446|7.014475|12.405868|0.180412|17.623256|8.810305|7.010571|4.563917|7.414919|5.004512|2.918919|2.628254|2.424848|2.686928|2.857393|3.576785|0.139205|0.099924|0.122469|0.081167|0.047930|0.047857|0.043202|0.041419|0.045408|0.045003|0.048261|0.049985|0.133730|0.130796|0.143533|0.211109|0.299367|0.500000| |7.313796|7.129792|0.145611|5.645808|10.051454|5.699882|3.376327|2.788082|2.421678|2.500395|22.437819|2.138850|1.916337|2.039690|2.645378|5.138390|3.058470|12.426795|5.722771|4.969239|7.655148|0.144457|9.045792|17.637282|4.148430|3.323624|5.997117|3.729330|2.351628|2.205196|2.019189|2.145729|2.184997|2.568406|0.196758|0.144668|0.238999|0.107910|0.057368|0.058887|0.050662|0.049218|0.055287|0.053395|0.058286|0.059631|0.143919|0.127584|0.109307|0.130915|0.214005|0.216742|0.500000| |5.311661|6.561644|0.137891|6.393178|14.030148|6.017739|3.673171|2.922714|2.590975|2.776416|26.264334|2.368740|2.067234|2.152580|2.649098|4.997274|3.046751|12.224202|7.106197|5.786243|9.370043|0.206847|8.857663|17.540692|4.611206|3.916653|7.596616|4.201130|2.683617|2.518514|2.228379|2.307166|2.314550|2.741120|0.132866|0.116582|0.160204|0.106946|0.064691|0.064794|0.054967|0.052603|0.057336|0.055977|0.058734|0.058393|0.210148|0.144069|0.130267|0.133976|0.215635|0.173266|0.302806|0.500000| |2.875782|3.236296|0.086572|2.803323|5.112676|3.228321|2.078766|1.830850|1.669608|1.724874|14.450763|1.553067|1.429304|1.475513|1.770586|3.380745|2.146122|5.817788|4.737232|7.444884|12.351066|0.185341|6.440112|4.449816|17.652447|8.649408|10.801298|9.387028|4.571417|3.680820|3.327691|3.809860|4.496021|6.922049|0.084964|0.069540|0.076971|0.063566|0.043264|0.042021|0.039181|0.037028|0.039370|0.039847|0.041430|0.042550|0.116231|0.114903|0.194391|0.224426|0.158411|0.189581|0.106073|0.110408|0.500000| |2.823642|3.097306|0.079489|2.774047|5.231114|3.164050|2.063748|1.806817|1.664232|1.740583|14.688954|1.577108|1.435256|1.470461|1.724034|3.252424|2.093024|5.501802|4.187450|5.652586|12.372242|0.210493|7.542647|4.777746|17.613825|8.815666|11.401862|9.081491|4.511889|4.027056|3.681125|4.329830|4.571368|6.356032|0.081939|0.067757|0.078780|0.061331|0.043941|0.043148|0.039065|0.037350|0.039434|0.039324|0.040699|0.041278|0.109364|0.097767|0.143302|0.150069|0.230674|0.194951|0.115799|0.123613|0.301552|0.500000| |1.980255|2.262835|0.061394|2.206264|4.224005|2.649739|1.816323|1.621312|1.542828|1.636017|13.437098|1.523135|1.391615|1.387248|1.525130|2.805285|1.881339|3.627826|3.146593|3.829404|5.541762|0.122841|3.130424|2.734139|4.788793|7.714120|14.422444|12.540184|17.675934|8.857022|5.463818|4.614703|4.803574|5.668973|0.055001|0.050257|0.054025|0.051103|0.043754|0.041022|0.038813|0.036156|0.036548|0.037523|0.037062|0.036876|0.091201|0.081020|0.126899|0.095230|0.085631|0.080394|0.066574|0.077867|0.120674|0.115900|0.500000| |1.787897|1.992898|0.054462|1.909818|3.583939|2.324347|1.592060|1.440344|1.369505|1.436278|11.604128|1.343490|1.241556|1.243585|1.373494|2.536131|1.709064|3.159199|2.645282|3.225904|4.651792|0.097065|2.760444|2.377287|4.245293|5.948683|9.251160|12.489362|17.598440|8.767773|6.874687|5.878443|6.929402|7.257653|0.050394|0.045634|0.048723|0.045432|0.038351|0.036320|0.034595|0.032459|0.032976|0.033779|0.033652|0.033752|0.074018|0.069286|0.102496|0.085032|0.076183|0.073643|0.059301|0.066093|0.114834|0.107428|0.303549|0.500000| |1.891559|2.096636|0.055357|2.066556|4.024360|2.474555|1.712109|1.528097|1.466902|1.568402|12.878781|1.474974|1.336025|1.324045|1.429094|2.609914|1.770429|3.338152|2.712033|3.166134|5.092533|0.115495|3.111583|2.678597|4.448428|6.341204|11.395265|9.764191|8.930569|17.540983|8.802184|6.473786|5.104158|5.197460|0.052419|0.047797|0.053024|0.047426|0.042239|0.040377|0.036874|0.035019|0.035220|0.035458|0.035095|0.034655|0.079030|0.067911|0.094907|0.079603|0.091684|0.078491|0.066822|0.077921|0.105360|0.123639|0.210424|0.173869|0.500000| |1.672921|1.853444|0.049782|1.837171|3.533840|2.242370|1.567087|1.415756|1.368673|1.458241|11.770158|1.383851|1.264420|1.247295|1.329242|2.418698|1.659557|2.884398|2.366217|2.713170|4.071583|0.090111|2.516421|2.236310|3.445109|4.676383|8.500339|7.637260|8.941937|17.541436|8.892667|5.440060|4.631065|4.400752|0.046330|0.042857|0.046455|0.043262|0.039860|0.037702|0.035173|0.033204|0.033090|0.033616|0.032982|0.032549|0.068839|0.061043|0.083199|0.069333|0.071978|0.064971|0.056274|0.064534|0.086885|0.092534|0.223064|0.206218|0.304349|0.500000| |1.569560|1.690438|0.045034|1.654802|3.155596|2.025461|1.412079|1.283695|1.239125|1.311884|10.512182|1.248060|1.145222|1.135390|1.215019|2.216082|1.524958|2.620890|2.061758|2.355663|3.653257|0.078273|2.385355|2.080881|3.176305|3.865709|6.449267|6.348453|5.464556|8.912823|17.549675|8.876277|5.464106|4.379401|0.043924|0.040165|0.044069|0.039331|0.035594|0.034351|0.031610|0.030301|0.030427|0.030530|0.030323|0.030057|0.058663|0.052915|0.068952|0.061967|0.070561|0.062707|0.053705|0.059277|0.081003|0.092007|0.123819|0.139675|0.218393|0.213467|0.500000| 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