Version2.2 2021-02-05T01:36:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c(n1CCc2ccc(cc2)F)C)C(=O)C[NH+]3CCN(CC3)C(=O)c4ccco4 C09549140 RHF 6-31G(d) (6D,7F) Cc1cc(c(n1CCc2ccc(cc2)F)C)C(=O)C[NH+]3CCN(CC3)C(=O)c4ccco4 C01[X(C25H29F1N3O3)] 177 C1 538 Fc1ccc(cc1)CCn1c(C)cc(c1C)C(=O)C[NH+]1CCN(CC1)C(=O)c1ccco1 Fc1ccc(cc1)CCn1c(C)cc(c1C)C(=O)C[NH+]1CCN(CC1)C(=O)c1ccco1 Cc1cc(c(C)n1CCc2ccc(F)cc2)C(=O)C[NH+]3CCN(CC3)C(=O)c4occc4 InChIKey=ZQNPHROEHPEMRY-UHFFFAOYSA-O InChI=1S/C25H28FN3O3/c1-18-16-22(19(2)29(18)10-9-20-5-7-21(26)8-6-20)23(30)17-27-11-13-28(14-12-27)25(31)24-4-3-15-32-24/h3-8,15-16H,9-14,17H2,1-2H3/p+1 InChI=1/C25H28FN3O3/c1-18-16-22(19(2)29(18)10-9-20-5-7-21(26)8-6-20)23(30)17-27-11-13-28(14-12-27)25(31)24-4-3-15-32-24/h3-8,15-16H,9-14,17H2,1-2H3/p+1/fC25H29FN3O3/h27H/q+1 Cc1cc(c(n1CCc2ccc(cc2)F)C)C(=O)C[NH+]3CCN(CC3)C(=O)c4ccco4 C01[X(C25H29F1N3O3)] 177 C01 538 Fc1ccc(cc1)CCn1c(C)cc(c1C)C(=O)C[NH+]1CCN(CC1)C(=O)c1ccco1 O=C(C1=[CH][CH]=CO1)N1CC[NH](CC1)C[C]([C]1[CH]=C([N]([C]1C)CC[C]1[CH][CH][C]([CH][CH]1)F)C)=O C[C]1[C](C=C(C)N1CC[C]2[CH][CH][C](F)[CH][CH]2)C(=O)C[NH]3CCN(CC3)C(=O)c4occc4 InChIKey=CQNWKKPSNRIYLY-UHFFFAOYSA-N InChI=1S/C25H29FN3O3/c1-18-16-22(19(2)29(18)10-9-20-5-7-21(26)8-6-20)23(30)17-27-11-13-28(14-12-27)25(31)24-4-3-15-32-24/h3-8,15-16,27H,9-14,17H2,1-2H3 InChI=1/C25H29FN3O3/c1-18-16-22(19(2)29(18)10-9-20-5-7-21(26)8-6-20)23(30)17-27-11-13-28(14-12-27)25(31)24-4-3-15-32-24/h3-8,15-16,27H,9-14,17H2,1-2H3 2944.1810238539 -1450.7646888 1-A 32733.3450 116 422 538 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.36756 -20.73511 -20.67801 -20.63655 -15.83202 -15.72458 -15.70836 -11.46909 -11.46555 -11.43293 -11.43201 -11.42548 -11.40401 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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 3158.7656 59254.0795 60862.5855 1.00000 0.00125 -0.00118 -0.00128 0.99964 -0.02684 0.00114 0.02684 0.99964 1 0.02742 0.00146 0.00142 0.57134 0.03046 0.02965 14.52 19.96 29.83 36.73 43.96 55.30 72.95 91.53 99.90 120.55 127.10 150.87 178.32 201.93 211.80 225.44 232.79 290.02 297.66 302.63 319.06 362.63 411.77 445.96 464.48 470.04 493.98 516.55 524.06 536.34 561.63 587.02 623.35 641.57 659.89 667.88 673.08 728.29 754.78 769.29 799.97 846.32 863.56 871.42 906.95 935.69 945.02 972.26 1007.98 1028.71 1089.26 1093.68 1119.83 1127.04 1136.13 1186.11 1221.22 1227.29 1269.21 1269.37 1282.64 1300.91 1323.82 1331.56 1346.06 1372.15 1376.65 1394.53 1442.17 1462.94 1482.49 1494.24 1506.11 1537.19 1550.46 1563.80 1572.71 1585.51 1596.55 1598.15 1602.82 1612.43 1613.02 1649.48 1652.26 1680.00 1692.20 1695.21 1708.03 1723.71 1726.79 1771.44 1817.82 1834.25 1845.25 1846.73 1866.87 1885.25 1890.18 1896.02 1903.55 1925.31 1944.97 1981.77 2000.85 2009.25 2022.37 2045.78 2063.54 2083.50 2090.78 2094.78 2117.33 2148.53 2171.18 2175.65 2217.50 2221.20 2222.39 2236.93 2249.32 2251.99 2261.82 2269.57 2271.55 2283.61 2294.95 2337.38 2338.90 2343.29 2344.99 2351.62 2355.22 2362.50 2364.78 2370.26 2371.92 2382.14 2396.08 2396.53 2442.44 2445.77 2566.51 2577.43 2588.30 2623.20 2734.57 2799.74 4569.56 4599.29 4623.35 4631.18 4643.77 4693.37 4705.03 4705.20 4712.31 4714.07 4721.61 4725.29 4752.32 4794.24 4799.21 4808.27 4818.52 4829.70 4830.85 4832.39 4852.83 4878.24 4897.54 4897.74 4918.19 4969.10 4992.98 5016.18 5157.06 0.549767 0.577558 0.578502 0.485670 -1450.214921 -1450.187131 -1450.186187 -1450.279018 3.113567D-04 MUNgauss RevisionA2.1 retrievium 05-Feb-2021 DUDE Cc1cc(c(n1CCc2ccc(cc2)F)C)C(=O)C[NH+]3CCN(CC3)C(=O)c4ccco4 C09549140 RHF 6-31G(d) (6D,10F) C1 438.219295 |X|Y|Z| 38.710007 24.404397 175.040630 54.887915 27 6 7 8 23 3 1 |36.858105| |12.722079|36.858105| |7.413327|14.157806|36.858105| |5.118945|8.475400|13.234138|36.858105| |5.191272|8.489771|8.400144|13.726560|36.858105| |7.508872|13.700972|8.615226|8.633961|14.168633|53.358707| |6.284089|7.547145|5.263847|5.253836|7.638541|17.728050|36.858105| |5.186226|5.666124|4.315935|4.299002|5.676231|10.367835|12.408736|36.858105| |4.016577|4.054239|3.258988|3.246932|4.056588|6.769649|7.561997|12.583658|36.858105| |3.185186|3.321261|2.810861|2.911965|3.631143|5.575088|5.692220|7.539993|13.701373|36.858105| |2.694938|2.730140|2.357663|2.415236|2.895889|4.368090|4.180770|5.004639|7.876716|13.762112|36.858105| |2.678516|2.606743|2.235145|2.228483|2.606818|4.015961|3.788669|4.451234|6.886893|8.021143|13.824260|36.858105| |3.101926|2.902505|2.429364|2.356557|2.736150|4.371943|4.182217|5.004829|7.876854|6.879345|7.906328|13.823700|36.858105| |3.918800|3.643277|2.933529|2.811621|3.332512|5.582904|5.695629|7.540276|13.700540|7.979189|6.879089|8.020938|13.762667|36.858105| |2.285495|2.216740|1.939139|1.933920|2.216623|3.345614|3.020078|3.398488|4.655574|5.315904|8.174882|14.369264|8.174571|5.315822|97.533100| |3.800762|5.181616|5.087017|7.282762|12.708022|10.401306|6.361758|5.180740|4.005815|3.891086|3.084790|2.671102|2.693172|3.185699|5.129161|36.858105| |3.757645|5.236213|7.407169|13.277590|7.561912|7.207239|3.839496|3.341903|2.672508|2.483226|2.110527|1.945219|2.023447|2.345769|3.865526|5.952504|36.858105| |3.125967|4.127832|5.153029|8.028005|6.354891|6.064065|3.475170|3.088389|2.534797|2.425362|2.073687|1.888181|1.930492|2.206187|3.774775|6.159568|15.758392|73.516695| |3.437953|4.415768|6.347931|7.521981|4.933232|5.517273|3.100007|2.771330|2.281888|2.111664|1.834863|1.722396|1.803999|2.065392|3.465408|4.032586|12.376063|14.507847|36.858105| |2.718040|3.318508|4.277555|5.050886|3.836918|4.338082|2.581166|2.369796|2.004960|1.895232|1.668440|1.561663|1.615591|1.819454|3.174691|3.454659|7.777140|13.255756|12.800640|53.358707| |2.622494|3.231262|4.052296|5.082018|4.006419|4.389959|2.631852|2.398882|2.037414|1.949091|1.713267|1.590050|1.631089|1.831529|3.232126|3.773614|8.213024|17.231267|9.574949|25.528928|0.500000| |2.519094|3.014280|3.745684|4.306059|3.443842|3.970505|2.416751|2.302218|1.954224|1.853500|1.634237|1.528225|1.577716|1.772914|3.111682|3.169727|5.932967|10.564143|7.673235|17.254161|0.260543|36.858105| |2.102858|2.447953|2.905351|3.293885|2.801289|3.284484|2.068903|1.987676|1.728073|1.664669|1.487382|1.390862|1.422717|1.576203|2.859495|2.698042|4.265713|8.174866|4.988222|10.441621|0.198207|12.541149|36.858105| |1.966222|2.245817|2.652788|2.907642|2.476893|2.967383|1.882830|1.792798|1.575574|1.514849|1.366023|1.288009|1.320803|1.454385|2.663563|2.362825|3.653459|6.756372|4.486063|9.119549|0.166146|7.868563|13.141325|53.358707| |2.038995|2.342123|2.791573|3.076241|2.592576|3.088723|1.945865|1.815208|1.595130|1.532293|1.381724|1.303586|1.337624|1.473298|2.694832|2.462064|3.936694|7.271157|4.975883|10.477218|0.196534|6.632217|7.905247|17.889777|36.858105| |2.408585|2.817955|3.504332|3.838997|3.067201|3.629606|2.221885|2.039258|1.763318|1.671432|1.493688|1.411816|1.461163|1.626615|2.897547|2.795668|5.109754|8.756365|7.615556|17.327633|0.255862|7.694111|6.611239|10.684364|12.526148|36.858105| |1.732113|1.940549|2.236768|2.409098|2.109385|2.572126|1.663724|1.601342|1.426069|1.378235|1.254099|1.186602|1.213405|1.325210|2.469866|2.036000|2.896529|5.352769|3.394490|6.134256|0.116745|5.243549|7.907188|18.698714|7.610639|5.146054|36.858105| |1.647960|1.840379|2.094368|2.263182|2.014600|2.461657|1.607581|1.565709|1.400385|1.360266|1.240162|1.171025|1.193149|1.299444|2.441490|1.968258|2.682077|5.011731|3.026554|5.271999|0.102891|4.720783|7.170357|11.530916|5.400264|4.075351|15.926572|73.516695| |1.610499|1.776761|2.028972|2.140882|1.887419|2.337290|1.523697|1.461105|1.312251|1.266959|1.160983|1.105500|1.132302|1.230262|2.312054|1.813745|2.510388|4.558784|2.947475|5.035288|0.095812|3.956994|5.046004|10.487504|6.296044|4.493841|12.919099|14.651122|36.858105| |1.447352|1.579446|1.775496|1.862160|1.669644|2.086882|1.377731|1.328542|1.204621|1.168018|1.077506|1.028426|1.050639|1.134309|2.161757|1.617829|2.138154|3.892236|2.440482|4.002453|0.077749|3.131935|3.857946|6.932074|4.432309|3.423790|7.523996|11.682730|14.170741|36.858105| |1.399117|1.512165|1.692906|1.751723|1.572411|1.984438|1.313870|1.261656|1.148424|1.110725|1.028381|0.986360|1.010154|1.088059|2.078314|1.514128|1.984497|3.565651|2.274788|3.625383|0.070090|2.737663|3.178964|5.574699|3.887851|3.165169|5.194323|7.974109|8.582332|13.304022|36.858105| |1.514433|1.640024|1.854571|1.907469|1.690678|2.133013|1.400280|1.334435|1.208142|1.162283|1.072548|1.029925|1.058893|1.145113|2.163888|1.609839|2.172614|3.856284|2.553449|4.079934|0.077475|2.996349|3.385375|6.171723|4.550769|3.741818|5.325248|7.594431|8.793081|8.619743|14.199924|36.858105| |1.667780|1.830813|2.102704|2.185282|1.907931|2.379055|1.543663|1.467174|1.316083|1.263416|1.157987|1.107401|1.139423|1.239623|2.315143|1.808545|2.547543|4.528407|3.072741|5.136788|0.095614|3.793995|4.406836|8.968867|6.506849|4.944187|7.697456|9.609688|14.051687|8.601144|8.607204|14.199728|73.516695| |17.551973|8.854592|5.847509|4.441406|4.670570|8.986457|6.187900|4.805872|3.974330|3.181285|2.737967|2.756334|3.208921|3.988510|5.313063|3.594691|3.375373|5.120768|3.086275|3.391315|0.067587|2.283842|1.941065|2.494888|1.919290|2.247610|1.624073|2.743965|1.521895|1.374793|1.335685|1.444659|2.809443|0.500000| |17.563455|8.832550|5.791160|4.409686|4.655290|9.009634|6.323003|5.959415|4.585082|3.474373|2.921041|2.943496|3.511644|4.609404|5.574829|3.583832|3.348334|5.086355|3.053194|3.382219|0.066794|2.365776|1.994833|2.522200|1.894404|2.199123|1.648039|2.813741|1.529304|1.382486|1.332781|1.432242|2.793717|0.301502|0.500000| |17.604128|9.004342|7.044016|4.675849|4.375702|7.615417|4.661576|4.080497|3.304987|2.711027|2.348260|2.349370|2.692489|3.278165|4.601493|3.289927|3.613155|5.293640|3.502632|3.751339|0.072435|2.554177|2.123796|2.734810|2.083526|2.483155|1.771248|2.979608|1.657621|1.486996|1.445023|1.573209|3.077270|0.302346|0.302416|0.500000| |6.533901|8.884352|17.776142|8.426113|5.755207|7.990722|4.139240|3.569252|2.818291|2.454185|2.104695|2.022019|2.201636|2.610260|3.999835|4.002968|6.405243|8.103287|6.733296|6.035892|0.111342|3.862484|2.966494|3.767668|2.919149|3.756280|2.328441|3.835159|2.130928|1.854632|1.780272|1.970392|3.980831|0.145545|0.143781|0.201507|0.500000| |7.149069|7.152539|4.856501|4.499344|5.799360|12.531651|17.637598|8.816839|6.917502|5.094063|4.011770|3.849724|4.446185|6.075039|6.951381|4.839589|3.386695|5.411789|2.856222|3.243131|0.066861|2.217466|1.912095|2.404615|1.835199|2.096857|1.570090|2.687693|1.452862|1.318441|1.266545|1.352790|2.634741|0.221994|0.198036|0.141618|0.110594|0.500000| |4.779197|5.717901|4.480543|4.818682|7.190106|12.500492|17.640744|8.814071|6.910655|6.064203|4.440461|3.846766|4.010245|5.092798|6.946954|7.246368|3.705033|6.206908|2.948411|3.415997|0.072426|2.334126|2.028236|2.513187|1.919502|2.168337|1.634738|2.811996|1.497253|1.357232|1.292864|1.373793|2.688223|0.136052|0.130073|0.105285|0.100144|0.305327|0.500000| |4.372446|5.100281|4.206128|4.469646|6.010222|9.466335|8.849115|17.559938|8.884067|7.119275|4.716361|3.993490|4.206772|5.663441|7.057922|5.919413|3.554041|5.969659|2.880292|3.394738|0.070718|2.459705|2.122993|2.566253|1.892701|2.112071|1.680746|2.939450|1.518562|1.378503|1.299533|1.369461|2.688816|0.110541|0.133999|0.100164|0.096504|0.173624|0.211232|0.500000| |5.978259|6.050671|4.517529|4.214037|5.127014|9.489033|8.850207|17.564596|8.883495|5.664553|4.207069|3.993286|4.715409|7.116229|7.057615|4.376461|3.271622|5.253508|2.795601|3.226110|0.065528|2.325133|1.991382|2.451638|1.812218|2.046563|1.611108|2.798916|1.472667|1.338205|1.273105|1.349004|2.636029|0.144374|0.213421|0.130045|0.105862|0.211176|0.173619|0.304501|0.500000| |3.037438|3.303203|2.864554|3.075912|3.915647|5.705817|5.560115|6.984734|8.899915|17.698124|8.968137|5.691528|4.953912|5.656910|9.632371|4.478046|2.651559|4.689659|2.213666|2.723324|0.057732|1.960821|1.764634|2.167003|1.608594|1.748054|1.444464|2.540723|1.319569|1.214324|1.149183|1.200514|2.328272|0.083226|0.089961|0.072374|0.068926|0.130076|0.174696|0.213141|0.143619|0.500000| |2.372520|2.432835|2.147891|2.229903|2.647161|3.870379|3.552153|4.072935|5.605487|8.852235|17.744169|8.962921|5.646907|4.957519|16.720005|2.889169|1.986016|3.516461|1.730698|2.168057|0.045669|1.563666|1.437198|1.797417|1.334731|1.430996|1.217361|2.146592|1.127418|1.049766|1.000865|1.040243|1.992733|0.066876|0.070306|0.058245|0.053600|0.093932|0.107092|0.111491|0.096764|0.214412|0.500000| |2.908935|2.656374|2.245489|2.149988|2.440107|3.875104|3.553719|4.073109|5.605570|4.957656|5.646924|8.962708|17.744232|8.852677|16.719199|2.373181|1.862392|3.149479|1.685706|2.060824|0.042265|1.479088|1.338492|1.702457|1.266762|1.381596|1.153797|2.015596|1.082239|1.007056|0.971775|1.018565|1.940803|0.084289|0.091338|0.071490|0.057384|0.107231|0.093917|0.096754|0.111465|0.107582|0.124658|0.500000| |4.534506|3.944119|3.110625|2.874882|3.322562|5.721058|5.566139|6.985517|8.899993|5.657064|4.953836|5.691385|8.968010|17.698899|9.632122|3.044404|2.375783|3.907151|2.121374|2.518520|0.051248|1.800633|1.590073|2.005588|1.493036|1.659838|1.341072|2.330171|1.248379|1.149256|1.105558|1.167386|2.246242|0.127884|0.156673|0.104628|0.077640|0.175111|0.130116|0.143576|0.212979|0.124083|0.107581|0.214410|0.500000| |3.608055|4.678259|4.400925|5.708113|8.884346|9.261151|6.531024|6.039780|4.625728|4.628770|3.522207|2.956698|2.939578|3.503400|5.594124|17.572576|4.777948|8.774615|3.469775|4.150210|0.091022|2.915712|2.518602|2.987196|2.241516|2.498360|1.919063|3.339384|1.709037|1.536403|1.435071|1.514366|3.007786|0.094146|0.098629|0.086322|0.098718|0.133406|0.206738|0.213840|0.135196|0.156582|0.091409|0.070734|0.090780|0.500000| |3.598792|4.672547|4.440853|5.810231|8.913639|9.127084|6.240954|4.774871|3.940144|3.925488|3.168098|2.735063|2.726403|3.170582|5.276237|17.547704|4.904213|9.046624|3.549028|4.202797|0.093906|2.787453|2.429831|2.961975|2.299342|2.589943|1.892831|3.242670|1.708299|1.533715|1.445809|1.537021|3.044663|0.098689|0.093408|0.086302|0.099737|0.137836|0.223555|0.142125|0.110309|0.124749|0.083058|0.066721|0.083245|0.301772|0.500000| |3.288000|4.366117|4.627838|6.895551|8.960521|7.709397|4.708159|4.094157|3.308496|3.271079|2.686743|2.348287|2.351041|2.717029|4.598220|17.693959|6.747067|14.454650|4.380329|5.313881|0.123442|3.567715|3.050918|3.567116|2.734781|3.076837|2.233491|3.840830|1.963208|1.740493|1.614491|1.713801|3.451489|0.086043|0.085968|0.081900|0.105364|0.106305|0.143057|0.129983|0.100586|0.104085|0.071241|0.058340|0.072637|0.301483|0.301835|0.500000| |3.474031|4.353810|6.166298|6.626496|4.553472|5.305370|3.010268|2.630656|2.195409|2.027462|1.776326|1.680206|1.765435|2.011440|3.393820|3.715674|8.840456|11.411719|17.608028|12.321334|0.208790|5.658893|4.176092|5.507757|4.766091|7.538983|3.143526|4.919931|2.838639|2.367210|2.254237|2.566868|5.423001|0.088556|0.083729|0.099806|0.190899|0.078880|0.079856|0.074332|0.073580|0.058524|0.046520|0.046076|0.057643|0.088143|0.094594|0.109236|0.500000| |3.625175|4.558297|6.658480|6.828786|4.594882|5.424897|3.060437|2.804574|2.295595|2.097350|1.822713|1.723877|1.821784|2.095930|3.464454|3.675855|8.680149|10.849484|17.650853|12.310306|0.186185|7.485107|4.741386|5.799742|4.417590|6.345163|3.310667|5.308520|2.886714|2.402498|2.244755|2.515841|5.351782|0.087922|0.090247|0.105426|0.215903|0.078826|0.078948|0.080654|0.080576|0.060524|0.047504|0.047466|0.060446|0.091002|0.089286|0.107345|0.301497|0.500000| |2.557963|2.999917|3.737257|4.029634|3.212426|3.832965|2.339135|2.246617|1.908933|1.792454|1.585951|1.496381|1.556824|1.751077|3.050409|2.881059|5.130444|8.470225|7.039731|12.397930|0.182275|17.624549|8.844718|9.620029|5.819927|6.988496|5.070146|8.073298|3.976785|3.149890|2.790839|3.088552|6.944345|0.063854|0.066900|0.073434|0.111399|0.060264|0.061885|0.065988|0.064062|0.052133|0.041973|0.040760|0.049852|0.074502|0.070856|0.087221|0.150848|0.224809|0.500000| |2.656092|3.240974|3.999429|4.805288|3.883427|4.369785|2.643751|2.548912|2.135374|2.027917|1.769251|1.640489|1.689589|1.911374|3.319222|3.609809|6.646240|12.250891|7.189772|12.391624|0.229281|17.643349|8.816309|7.699357|4.973728|5.626007|4.238763|7.212787|3.298263|2.721325|2.394925|2.570944|5.576150|0.066297|0.069984|0.073577|0.110211|0.066198|0.070842|0.077102|0.071244|0.060125|0.046964|0.043694|0.053655|0.093160|0.085594|0.114690|0.143464|0.197528|0.299040|0.500000| |1.992019|2.287904|2.666513|2.967661|2.578333|3.071540|1.961092|1.917197|1.676256|1.617528|1.450286|1.358165|1.388131|1.533315|2.798735|2.495671|3.666525|6.915597|4.139479|7.606854|0.144925|8.949521|17.684283|12.499262|5.710796|4.951741|7.632060|14.777134|4.840735|3.854248|3.115266|3.217302|7.224076|0.050940|0.053138|0.055925|0.075584|0.050378|0.053210|0.057092|0.053648|0.047566|0.038982|0.036334|0.042960|0.066034|0.062343|0.077416|0.097513|0.114787|0.215617|0.210652|0.500000| |2.039157|2.387925|2.795797|3.259145|2.838200|3.278161|2.080691|1.992591|1.740319|1.694478|1.514178|1.406065|1.427445|1.576419|2.892845|2.823367|4.257626|8.756005|4.603664|9.308267|0.207349|8.838124|17.494027|12.311513|7.062083|5.760467|6.487461|11.100417|4.437112|3.550033|2.941020|3.076876|6.877854|0.052707|0.053788|0.056496|0.077478|0.053107|0.057410|0.059504|0.054761|0.050307|0.040858|0.037172|0.043835|0.073005|0.070866|0.090770|0.108680|0.116295|0.173296|0.215055|0.303165|0.500000| |1.902444|2.146261|2.521884|2.708385|2.315507|2.811610|1.791329|1.671273|1.482453|1.424148|1.293485|1.227236|1.260404|1.380722|2.549134|2.196679|3.324531|6.023249|4.133406|7.641899|0.144262|4.954060|5.690922|12.382915|17.729376|8.991352|7.115808|8.836950|7.253997|5.004322|4.597427|5.758337|15.547669|0.050121|0.049113|0.054344|0.073914|0.047401|0.049084|0.048022|0.046455|0.041300|0.034743|0.033315|0.038949|0.055851|0.057724|0.066745|0.115340|0.104866|0.130034|0.109110|0.127401|0.143883|0.500000| |1.982929|2.291878|2.698721|3.052114|2.622836|3.084968|1.955783|1.816896|1.603042|1.553468|1.401514|1.314877|1.340548|1.472326|2.720370|2.555319|3.939612|7.681923|4.620643|9.426335|0.207839|5.828020|7.132382|12.372727|17.471961|8.873616|6.311764|8.768057|5.245609|3.993100|3.494283|3.910395|9.123029|0.052229|0.051237|0.055591|0.076572|0.051003|0.054237|0.052854|0.049858|0.045583|0.037775|0.035160|0.041172|0.064282|0.066753|0.080161|0.123076|0.110224|0.134389|0.131166|0.144952|0.211893|0.302447|0.500000| |2.445875|2.858940|3.536146|3.862276|3.106261|3.686260|2.256949|2.034528|1.766502|1.675421|1.500349|1.419905|1.469364|1.632965|2.916634|2.829871|5.031563|8.580023|7.077268|12.388634|0.223376|5.616402|4.960634|7.691200|8.820689|17.618588|4.157333|6.048521|3.846053|3.060258|2.916870|3.453091|7.689839|0.064305|0.061292|0.069879|0.104730|0.059614|0.061613|0.058003|0.056345|0.048578|0.039929|0.038620|0.046266|0.069251|0.074254|0.085947|0.228706|0.155903|0.142968|0.126984|0.108988|0.129790|0.213065|0.215470|0.500000| |2.439389|2.801151|3.490674|3.629261|2.892771|3.516054|2.156833|1.994791|1.725740|1.622464|1.453560|1.384027|1.441884|1.606410|2.843109|2.584776|4.554862|7.423584|6.982761|12.388644|0.180341|6.962461|5.791114|9.580184|8.832490|17.624607|4.973767|7.009445|4.535660|3.454016|3.261410|3.954951|9.327491|0.062797|0.061915|0.071188|0.107980|0.057037|0.057744|0.056979|0.056323|0.046763|0.038542|0.038049|0.045886|0.064978|0.066470|0.077265|0.196496|0.185160|0.208291|0.142829|0.129911|0.133092|0.215576|0.173522|0.299538|0.500000| |1.378871|1.503170|1.677029|1.766574|1.599881|2.000020|1.328818|1.289339|1.173538|1.142785|1.056471|1.006875|1.025336|1.104004|2.120300|1.563968|2.017573|3.704684|2.257226|3.671918|0.072325|2.925507|3.644260|6.125118|3.834311|3.022512|6.595121|12.027176|8.852446|17.816155|8.449479|5.860125|10.440512|0.036393|0.036783|0.039173|0.048287|0.035248|0.036443|0.037289|0.036019|0.033060|0.028669|0.027289|0.030984|0.041523|0.041166|0.046792|0.060290|0.061811|0.080952|0.072142|0.104421|0.095233|0.114433|0.099555|0.075451|0.083646|0.500000| 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