Version2.1 2020-12-17T09:05:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cn1c(=O)c2ccccc2n3c1nnc3SCC(=O)NC4c5ccccc5-c6c4cccc6 C11255640 RHF 6-31G(d) (6D,7F) Cn1c(=O)c2ccccc2n3c1nnc3SCC(=O)NC4c5ccccc5-c6c4cccc6 C01[X(C25H37N5O2S1)] 204 C1 573 O=C(NC1c2ccccc2-c2c1cccc2)CSc1nnc2n1c1ccccc1c(=O)n2C O=C(NC1c2ccccc2-c2c1cccc2)CSc1nnc2n1c1ccccc1c(=O)n2C CN1C(=O)C2CCCCC2n3c(SCC(=O)NC4C5CCCCC5C6CCCCC46)nnc13 InChIKey=GTLGZGVOFMHALT-UHFFFAOYSA-N InChI=1S/C25H37N5O2S/c1-29-23(32)19-12-6-7-13-20(19)30-24(29)27-28-25(30)33-14-21(31)26-22-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22/h15-20,22H,2-14H2,1H3,(H,26,31) InChI=1/C25H37N5O2S/c1-29-23(32)19-12-6-7-13-20(19)30-24(29)27-28-25(30)33-14-21(31)26-22-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22/h15-20,22H,2-14H2,1H3,(H,26,31)/f/h26H Cn1c(=O)c2ccccc2n3c1nnc3SCC(=O)NC4c5ccccc5-c6c4cccc6 C01[X(C25H37N5O2S1)] 204 C01 573 O=C(NC1c2ccccc2-c2c1cccc2)CSc1nnc2n1c1ccccc1c(=O)n2C O=C(N[C@@H]1[C@@H]2CCCC[C@H]2[C@H]2[C@H]1CCCC2)CSC1=[N][N][C]2N1[C@@H]1CCCC[C@H]1C(=O)N2C CN1[C]2[N]N=C(SCC(=O)N[C@@H]3[C@@H]4CCCC[C@H]4[C@@H]5CCCC[C@@H]35)N2[C@@H]6CCCC[C@H]6C1=O InChIKey=GTLGZGVOFMHALT-VTYCOLDWSA-N InChI=1S/C25H37N5O2S/c1-29-23(32)19-12-6-7-13-20(19)30-24(29)27-28-25(30)33-14-21(31)26-22-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22/h15-20,22H,2-14H2,1H3,(H,26,31)/t15-,16-,17+,18+,19+,20+/m0/s1 InChI=1/C25H37N5O2S/c1-29-23(32)19-12-6-7-13-20(19)30-24(29)27-28-25(30)33-14-21(31)26-22-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22/h15-20,22H,2-14H2,1H3,(H,26,31)/t15-,16-,17+,18+,19+,20+/m0/s1/f/h26H 3580.5442785137 -1787.7848508 1-A 27935.3754 127 446 573 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.96572 -20.54751 -20.53167 -15.63859 -15.62157 -15.58801 -15.57446 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 6865.8676 45823.3167 46418.3119 0.99998 0.00511 -0.00464 -0.00468 0.99602 0.08898 0.00508 -0.08895 0.99602 1 0.01262 0.00189 0.00187 0.26286 0.03938 0.03888 10.38 18.50 37.72 43.44 69.01 75.68 98.72 106.77 126.64 133.32 142.17 169.03 170.79 175.39 199.55 223.89 274.47 306.40 307.67 335.88 379.65 383.21 387.72 413.74 441.66 453.53 478.09 486.82 494.50 517.10 537.94 558.17 591.57 601.43 613.39 656.11 670.57 677.29 682.87 713.48 723.15 732.06 745.09 767.27 789.04 792.55 847.47 889.84 935.88 945.17 998.58 1009.39 1083.45 1084.27 1109.58 1161.87 1207.07 1217.21 1238.44 1242.60 1270.64 1284.37 1292.88 1305.08 1322.68 1336.38 1349.60 1384.94 1390.94 1407.52 1424.08 1437.45 1455.30 1459.92 1467.41 1475.13 1484.58 1489.87 1531.32 1546.92 1562.13 1621.91 1623.89 1641.22 1642.90 1646.63 1649.55 1669.05 1685.53 1692.80 1703.74 1709.47 1727.80 1735.11 1747.12 1761.51 1780.10 1786.01 1800.06 1817.04 1820.38 1826.67 1855.83 1868.62 1878.96 1903.56 1923.09 1928.36 1938.37 1939.73 1967.12 1982.88 1991.39 1995.20 2007.42 2008.78 2032.47 2043.08 2058.81 2069.90 2078.49 2096.84 2104.35 2111.07 2122.29 2134.22 2139.34 2149.12 2165.32 2166.57 2171.75 2175.98 2178.79 2182.28 2190.34 2192.38 2199.44 2207.76 2208.07 2213.25 2217.48 2227.55 2249.88 2255.99 2269.03 2292.14 2305.37 2351.92 2351.94 2353.47 2353.75 2354.48 2354.55 2359.49 2363.02 2363.32 2367.00 2369.25 2381.24 2381.40 2383.32 2383.56 2445.58 2464.29 2604.67 2800.39 2836.25 4501.48 4513.89 4534.76 4561.42 4573.98 4579.13 4581.05 4582.06 4583.11 4585.55 4587.25 4590.28 4592.67 4593.92 4598.76 4606.17 4626.35 4638.07 4640.88 4646.60 4648.24 4649.06 4651.37 4656.60 4661.35 4672.30 4674.82 4680.56 4681.64 4705.81 4747.74 4748.30 4750.65 4780.44 4780.91 4872.20 5564.23 0.656665 0.685220 0.686164 0.593332 -1787.128185 -1787.099631 -1787.098687 -1787.191518 3.113567D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE Cn1c(=O)c2ccccc2n3c1nnc3SCC(=O)NC4c5ccccc5-c6c4cccc6 C11255640 RHF 6-31G(d) (6D,10F) C1 471.266797 |X|Y|Z| 48.092314 44.415547 153.784819 68.998776 30 6 7 16 24 5 1 |36.858105| |13.047586|53.358707| |7.728641|18.899549|36.858105| |6.876211|11.534619|15.938837|73.516695| |4.985166|10.579567|12.506887|14.193104|36.858105| |3.826328|6.914384|7.553031|12.172097|12.444731|36.858105| |3.025146|5.233896|4.918117|7.916453|7.567631|12.463137|36.858105| |2.895247|5.035731|4.357060|6.696069|6.495345|7.555805|12.465178|36.858105| |3.311121|6.032078|4.900399|6.977345|7.572304|6.430320|7.502092|12.427771|36.858105| |4.454018|9.141256|7.473342|9.387891|12.400671|7.516131|6.433374|7.566437|12.461300|36.858105| |5.160806|10.839447|6.743498|8.432242|7.914010|5.032431|4.419891|4.946643|7.559239|12.987509|53.358707| |7.848674|18.797518|7.942663|9.688012|6.917974|4.500964|3.726927|3.850357|5.058584|7.756095|19.073853|36.858105| |6.768783|10.967048|5.310793|7.365592|4.759810|3.464706|3.021302|3.162492|4.052429|5.352481|11.829091|14.924512|53.358707| |4.587604|7.479089|4.245717|6.035376|4.254936|3.211086|2.956060|3.243146|4.325598|5.251877|11.888134|8.986881|18.887556|53.358707| |4.210562|7.481900|4.594233|6.348207|5.088813|3.747670|3.530346|4.068057|5.975460|7.224129|18.823289|8.926949|12.050999|20.281107|36.858105| |3.040068|5.057579|3.409002|4.999040|3.955122|3.232500|3.304606|4.061702|5.864921|5.474046|9.283440|4.938669|6.708290|9.600805|10.806948|388.023441| |2.747822|4.270385|2.789551|4.224286|3.015884|2.526852|2.531357|2.931357|3.782089|3.759834|6.421563|4.054738|6.189724|9.205647|7.099955|74.782853|36.858105| |2.258892|3.448733|2.328296|3.612439|2.535265|2.213158|2.273607|2.644115|3.249388|3.075918|4.837488|3.094259|4.543317|5.981031|4.680949|49.801502|12.529821|36.858105| |2.117835|3.265601|2.260242|3.523509|2.515453|2.241580|2.359634|2.803213|3.398402|3.068446|4.601336|2.874209|4.059929|5.138992|4.238639|47.638876|7.974389|15.864615|73.516695| |2.067842|3.070879|2.063583|3.250395|2.194459|1.934682|1.968086|2.231558|2.657970|2.574367|4.027491|2.695887|4.038137|5.112581|3.745419|34.155963|7.926776|14.130315|15.042687|53.358707| |1.787312|2.628965|1.796239|2.870775|1.909837|1.721469|1.767711|1.992919|2.301532|2.200225|3.327506|2.244421|3.293686|3.977651|2.946513|26.124207|5.019885|7.724046|11.987220|17.824602|36.858105| |1.665692|2.411368|1.645484|2.653739|1.727537|1.561271|1.593183|1.760154|2.008330|1.943589|2.941168|2.031795|3.006202|3.540950|2.554150|21.319671|3.964805|5.151513|8.041079|10.494672|12.335250|36.858105| |1.591390|2.306272|1.587816|2.570169|1.675505|1.520761|1.563091|1.711332|1.939932|1.858576|2.789857|1.928032|2.827175|3.285298|2.386452|19.741188|3.488868|4.334220|7.103798|7.625242|7.215575|12.495735|36.858105| |1.477047|2.110097|1.451965|2.371333|1.513279|1.379604|1.407473|1.519493|1.702865|1.652335|2.473263|1.740815|2.560511|2.907609|2.079113|16.525738|2.847045|3.301403|5.413190|5.564796|4.830552|7.635230|12.396362|36.858105| |1.363769|1.937218|1.336686|2.195883|1.386868|1.274936|1.298609|1.402013|1.554435|1.512967|2.243723|1.584299|2.318916|2.605838|1.867046|14.757587|2.500698|2.893906|4.823819|4.829315|4.345440|6.521299|7.445863|12.397688|36.858105| |1.410671|2.000486|1.372405|2.250139|1.418375|1.300952|1.318532|1.432034|1.592832|1.560944|2.324176|1.642334|2.416502|2.730714|1.947453|15.422194|2.664690|3.111885|5.108140|5.372178|4.990817|7.576049|6.343294|7.439609|12.390692|36.858105| |1.503967|2.158124|1.481270|2.411550|1.545632|1.414470|1.441697|1.586714|1.778222|1.726640|2.572454|1.790230|2.625674|3.022523|2.184712|17.877417|3.152968|3.914815|6.443643|7.109303|7.783805|12.406880|7.512854|6.477269|7.620344|12.490793|36.858105| |1.565557|2.245471|1.533887|2.492662|1.594555|1.457835|1.477812|1.638166|1.839361|1.800348|2.686233|1.868084|2.745266|3.173399|2.291821|18.774818|3.342606|4.142973|6.745181|7.501263|7.737729|8.050239|5.057426|4.376295|4.831250|7.182638|12.472384|36.858105| |1.678051|2.447221|1.677220|2.702098|1.768845|1.613563|1.650048|1.860937|2.110624|2.034873|3.030299|2.060265|3.001506|3.544948|2.624508|22.620011|4.077307|5.586062|9.337158|10.158131|12.229824|7.786934|5.028356|3.932713|3.960673|4.973765|8.041418|12.395923|36.858105| |1.779322|2.598935|1.773228|2.849466|1.862790|1.697908|1.723573|1.961629|2.228969|2.173920|3.234947|2.193705|3.189323|3.773208|2.805436|24.074831|4.263888|5.481455|9.156061|8.683445|7.128963|5.039070|3.680105|3.051434|3.057894|3.727239|5.060213|7.524037|12.496154|36.858105| |1.600805|2.312162|1.590720|2.587728|1.658444|1.534616|1.555559|1.754200|1.946452|1.906028|2.782851|1.911060|2.749910|3.151406|2.337441|19.297402|3.198713|3.812473|6.634663|5.771370|4.805926|3.939760|3.050644|2.664269|2.789961|3.432311|4.380114|6.493250|7.649902|12.389764|36.858105| |1.492545|2.126709|1.459241|2.390206|1.505345|1.393510|1.404514|1.559361|1.721150|1.700911|2.494263|1.743086|2.529368|2.858624|2.078929|16.646012|2.783104|3.224965|5.470619|5.085964|4.321337|3.965124|3.057119|2.789882|3.055298|3.964293|4.834042|7.630349|6.519632|7.435491|12.397688|36.858105| |1.435936|2.047709|1.408356|2.307409|1.458429|1.348821|1.366695|1.510208|1.668886|1.636201|2.404701|1.679763|2.442318|2.767276|2.009526|16.196444|2.741610|3.258549|5.521268|5.364939|4.977401|4.976993|3.723724|3.429221|3.961287|5.578981|7.183635|12.494319|7.568475|6.334643|7.439614|12.391726|36.858105| |17.637026|12.440270|5.898338|9.394723|4.249620|3.372910|2.748126|2.711186|3.109500|4.116083|6.631231|7.175905|9.476594|6.452394|4.199076|21.660989|2.823331|2.311420|3.818566|2.899442|1.835358|1.707035|1.612481|1.498024|1.390487|1.450689|1.547792|1.626711|1.738810|1.863728|1.679953|1.566977|1.495405|0.500000| |17.610986|12.367130|6.154016|9.946083|4.389824|3.410366|2.789651|2.661842|3.056107|3.927011|6.350156|6.885740|9.110036|6.171553|4.009530|20.823473|2.718175|2.235230|3.696307|2.813917|1.785625|1.682918|1.619532|1.511919|1.388128|1.428024|1.512431|1.561324|1.661839|1.741841|1.562828|1.468790|1.424862|0.301144|0.500000| |17.708785|12.569958|7.578455|14.574113|4.733747|3.878533|2.999248|2.791860|3.065733|4.022020|5.839728|5.764301|6.713617|5.010996|3.510029|18.995142|2.405145|2.025401|3.418098|2.534714|1.632472|1.526183|1.464057|1.364986|1.267167|1.307813|1.389637|1.444522|1.543562|1.634862|1.486575|1.389104|1.335799|0.298855|0.299222|0.500000| |3.758830|6.584748|6.874471|11.740587|8.860018|17.523865|8.829869|6.775954|5.643831|6.795201|6.321194|4.232549|4.496193|4.160686|3.528918|21.813729|2.427802|2.138094|3.851772|2.554647|1.676702|1.516468|1.465237|1.331663|1.239572|1.272576|1.384596|1.438453|1.591005|1.691896|1.540918|1.395662|1.340162|0.094556|0.090604|0.107824|0.500000| |2.674859|4.438636|4.081068|6.958313|5.508727|8.844081|17.549269|8.828031|5.478643|4.837960|4.858340|3.118849|3.539297|3.462033|2.963135|20.144436|2.238482|2.048705|3.798642|2.442014|1.632750|1.478167|1.452242|1.314581|1.220621|1.238575|1.349885|1.383684|1.538001|1.606150|1.465652|1.326803|1.289925|0.068226|0.068695|0.074977|0.214852|0.500000| |2.830921|4.840122|4.140824|6.498855|5.681662|6.789574|8.858129|17.505244|8.852130|6.820565|6.213079|3.648789|4.112875|4.194448|3.802303|26.977158|2.800163|2.543230|4.792277|2.940295|1.939722|1.707250|1.643192|1.463097|1.361912|1.401297|1.554309|1.620972|1.841269|1.968709|1.777507|1.572263|1.507451|0.074956|0.071151|0.076528|0.198972|0.215446|0.500000| |3.018975|5.293211|4.057902|5.928744|5.507354|4.842335|5.503131|8.892245|17.620869|8.828290|9.220397|4.586266|5.291039|5.970451|6.208034|51.303086|4.287890|3.733202|7.136579|4.030047|2.549793|2.174385|2.075312|1.798400|1.645471|1.698224|1.921506|2.005497|2.344836|2.505342|2.163876|1.881801|1.814835|0.081104|0.077681|0.077154|0.126887|0.123692|0.217224|0.500000| |2.810408|4.313527|2.787002|4.228179|2.972541|2.464848|2.450227|2.758026|3.529230|3.564331|6.217912|4.103935|6.510599|9.713295|6.722984|56.418071|17.625400|8.847176|10.927232|9.682989|4.663211|3.976243|3.631663|3.000897|2.567874|2.683969|3.092935|3.163873|3.680210|3.669099|2.841779|2.563128|2.580305|0.079393|0.079122|0.067822|0.064959|0.060088|0.072141|0.106210|0.500000| |2.853821|4.348625|2.780684|4.228847|2.917306|2.447094|2.400596|2.753782|3.481740|3.623280|6.246935|4.125591|6.525599|9.687388|6.747574|56.434806|17.616887|8.853024|10.978024|9.595742|4.660186|3.755562|3.200113|2.688974|2.418513|2.637342|3.094242|3.408397|4.070677|4.528142|3.400872|2.954932|2.828820|0.083614|0.077729|0.068971|0.066374|0.059391|0.074653|0.108639|0.303633|0.500000| |2.147493|3.145953|2.082082|3.281965|2.175756|1.902081|1.906637|2.133119|2.541544|2.527599|4.032191|2.771172|4.266818|5.413382|3.769659|31.860225|7.668586|9.438289|10.875344|26.055885|9.001473|7.207320|5.236908|4.094068|3.548820|4.007615|5.015326|5.351363|6.308420|5.714321|3.988542|3.671838|3.839971|0.061934|0.060057|0.053371|0.051313|0.048241|0.057453|0.077366|0.209490|0.210163|0.500000| |1.740112|2.583675|1.787548|2.857631|1.927069|1.750341|1.822880|2.069420|2.378634|2.221896|3.305745|2.196514|3.166539|3.803264|2.894835|26.470889|4.739963|7.494111|13.791519|12.765303|17.647782|8.740294|6.969941|4.529521|4.021820|4.307430|6.270247|5.840374|8.778942|5.878496|4.264625|3.748958|4.261476|0.049210|0.048197|0.044354|0.047172|0.046831|0.055649|0.073634|0.121699|0.116928|0.182002|0.500000| |1.510060|2.198634|1.529207|2.482408|1.626082|1.490442|1.546500|1.699171|1.907295|1.803109|2.665263|1.826044|2.639630|3.046645|2.253315|18.897237|3.204859|4.041725|7.032130|6.664948|6.575018|8.857969|17.500000|8.797632|6.649616|5.566596|6.797558|4.690964|4.863774|3.547740|3.002983|2.968940|3.628538|0.042359|0.042488|0.038807|0.039912|0.040093|0.045340|0.056875|0.090525|0.081191|0.121729|0.201861|0.500000| |1.416253|2.023447|1.401353|2.296851|1.463794|1.340752|1.373103|1.473722|1.640886|1.584662|2.354852|1.658084|2.420679|2.721866|1.957520|15.467940|2.588474|2.950968|4.941670|4.745732|3.986250|5.532712|8.797499|17.534951|8.823081|5.457374|4.870001|3.547411|3.302076|2.646497|2.345147|2.429594|2.917367|0.039660|0.040375|0.036497|0.035830|0.035707|0.039264|0.047827|0.076192|0.067358|0.095920|0.108911|0.214251|0.500000| |1.300337|1.854265|1.288744|2.121407|1.344324|1.244397|1.275535|1.379618|1.518943|1.465961|2.152312|1.510308|2.189175|2.452896|1.778685|14.186000|2.352850|2.751218|4.712353|4.470358|4.104564|5.670838|6.670757|8.845696|17.499024|8.860739|6.861363|4.485038|3.823261|2.945858|2.733193|2.960711|3.853186|0.036726|0.036640|0.033695|0.033625|0.033421|0.037250|0.044747|0.066346|0.062798|0.088680|0.110554|0.193509|0.216275|0.500000| |1.321583|1.867771|1.286514|2.119690|1.326733|1.225147|1.241595|1.345836|1.483725|1.454984|2.148334|1.521257|2.224753|2.488280|1.781034|14.014024|2.366364|2.729532|4.562948|4.546593|4.136328|5.491704|4.779336|5.454282|8.808473|17.530393|8.786787|6.404948|4.424134|3.463341|3.373345|4.063458|5.902208|0.037800|0.037053|0.034201|0.033415|0.032551|0.036750|0.043894|0.065557|0.065613|0.093520|0.102244|0.124977|0.123055|0.216282|0.500000| |1.909266|2.770598|1.863261|2.983603|1.934818|1.743355|1.747102|1.976970|2.270382|2.261620|3.433467|2.358324|3.493235|4.168015|3.020190|25.162223|4.681668|5.607252|8.616386|9.124492|6.444143|4.871936|3.550287|3.006568|2.972440|3.635190|4.694980|6.806359|8.830673|17.503646|8.812345|6.653057|5.566288|0.056080|0.051970|0.048373|0.048300|0.045008|0.055112|0.070420|0.111834|0.147236|0.184043|0.141681|0.091872|0.072121|0.077644|0.092761|0.500000| |1.635699|2.356775|1.619951|2.639686|1.680278|1.558498|1.570442|1.772564|1.958558|1.936083|2.814606|1.939437|2.780754|3.159285|2.343801|19.023817|3.077653|3.507397|6.101114|5.091533|3.962987|3.307520|2.646673|2.346037|2.430391|2.920502|3.550393|4.878974|5.538834|8.798555|17.532379|8.826842|5.458352|0.047993|0.044054|0.042276|0.043802|0.041182|0.050375|0.060520|0.075466|0.092899|0.099759|0.099517|0.072060|0.058083|0.065922|0.080002|0.214707|0.500000| |1.550160|2.191871|1.491332|2.442488|1.524345|1.402792|1.401435|1.548219|1.716724|1.719052|2.545496|1.798420|2.636892|2.972243|2.127575|16.691664|2.831132|3.178441|5.240122|5.051138|4.068455|3.827044|2.947141|2.735558|2.963417|3.859230|4.488211|6.863860|5.661589|6.660059|8.844194|17.495669|8.861777|0.045510|0.042432|0.039956|0.039070|0.036691|0.043376|0.051870|0.072949|0.085411|0.105434|0.096025|0.077608|0.065960|0.077865|0.108364|0.193534|0.216384|0.500000| |1.365935|1.956127|1.356496|2.227302|1.413628|1.316800|1.344148|1.487714|1.631534|1.582955|2.301639|1.597499|2.299443|2.595825|1.908393|15.528473|2.564424|3.080892|5.397133|4.923271|4.673833|4.598246|3.629128|3.314426|3.863753|5.109697|6.592867|8.851781|6.860870|5.578099|6.660362|8.797714|17.491485|0.039306|0.037602|0.035442|0.036323|0.035368|0.041242|0.049347|0.066938|0.072203|0.095039|0.118169|0.102617|0.079890|0.109730|0.154198|0.129487|0.137548|0.173542|0.500000| |4.615756|9.181811|9.100646|11.684496|17.470969|8.877268|6.934030|5.821564|7.007139|8.962520|9.868416|6.437572|6.375607|5.788501|5.018922|28.124452|3.047915|2.564237|4.511889|3.027047|1.933561|1.761961|1.729158|1.561995|1.419459|1.439727|1.564143|1.596276|1.766545|1.833685|1.624331|1.482521|1.450620|0.107914|0.120681|0.119865|0.173955|0.141196|0.133500|0.142366|0.085512|0.080167|0.061245|0.054419|0.046569|0.042181|0.038196|0.037269|0.052790|0.045324|0.041642|0.039101|0.500000| |3.741646|6.400238|7.051643|13.270924|8.886651|17.619241|8.789883|5.495638|4.834806|5.500476|5.701968|3.995191|4.308313|3.924191|3.242610|19.916936|2.269755|2.003399|3.587342|2.418541|1.592006|1.460348|1.431060|1.309102|1.210740|1.230387|1.327493|1.361371|1.492783|1.560297|1.418663|1.299623|1.262756|0.089836|0.094238|0.109101|0.304580|0.210672|0.139273|0.106771|0.062346|0.061201|0.048773|0.044884|0.038938|0.035481|0.032820|0.032241|0.044519|0.039948|0.036393|0.034254|0.214226|0.500000| |2.911613|4.975982|4.561675|7.354348|6.801726|8.852231|17.503123|8.853164|6.741669|5.627665|5.729276|3.590833|4.031341|3.964649|3.446014|23.110536|2.516900|2.268053|4.179835|2.680280|1.770622|1.606853|1.593717|1.436074|1.316502|1.326585|1.446059|1.468221|1.634879|1.686509|1.516383|1.376643|1.351159|0.072768|0.076517|0.079609|0.173528|0.303495|0.173797|0.139196|0.068779|0.065395|0.052971|0.050929|0.043824|0.039119|0.035929|0.034607|0.047418|0.042217|0.038121|0.036955|0.204558|0.214393|0.500000| |2.510209|4.220972|3.531064|5.569541|4.869327|5.497022|8.808512|17.558135|8.878533|5.520650|5.575624|3.265092|3.794863|3.971489|3.602273|27.277950|2.818044|2.622851|5.056577|3.012765|2.003836|1.766689|1.730748|1.530609|1.412245|1.435387|1.594812|1.636582|1.867262|1.949945|1.747188|1.550536|1.510524|0.065825|0.065241|0.067270|0.139045|0.210930|0.303851|0.215165|0.073594|0.072551|0.058126|0.058546|0.048174|0.041403|0.038829|0.037505|0.053942|0.048739|0.042449|0.041624|0.130092|0.123080|0.214813|0.500000| |3.189722|5.714769|4.564222|6.566043|6.838557|5.645849|6.733295|8.806744|17.534915|8.868319|9.476197|4.855378|5.458671|5.905605|5.888195|42.025372|3.870020|3.330746|6.177967|3.708602|2.354036|2.071214|2.032007|1.778873|1.605670|1.628559|1.813152|1.848982|2.115624|2.188995|1.899052|1.693136|1.662953|0.082101|0.084325|0.081531|0.130818|0.138516|0.173425|0.302820|0.103645|0.095782|0.072240|0.068075|0.055476|0.047893|0.043567|0.041927|0.061805|0.052488|0.046853|0.045216|0.208279|0.126631|0.197247|0.214866|0.500000| |4.336987|8.419080|6.762618|9.081253|8.849092|6.855163|5.722042|6.893972|8.900217|17.517446|12.506134|6.673117|6.618340|6.434098|6.117906|34.808871|3.513009|2.924889|5.203370|3.363374|2.130292|1.874660|1.772996|1.581755|1.463768|1.522651|1.685997|1.779008|2.009787|2.185063|1.936577|1.718890|1.633435|0.115910|0.102690|0.111157|0.202919|0.128298|0.203857|0.215534|0.090421|0.097262|0.067478|0.059433|0.047866|0.041980|0.039444|0.039643|0.063244|0.055304|0.048330|0.043863|0.174824|0.140758|0.131728|0.141199|0.174333|0.500000| |1.748311|2.509872|1.693164|2.727273|1.758114|1.575075|1.589736|1.744675|2.003059|1.971828|3.030192|2.123923|3.198402|3.775256|2.651862|21.471899|4.133390|5.012533|7.395729|10.452397|8.910658|17.442036|8.984672|7.121187|5.970584|7.159624|9.003348|7.208189|6.447507|4.744311|3.728623|3.835590|4.614029|0.050025|0.049332|0.044252|0.042501|0.040846|0.047016|0.059804|0.118694|0.111730|0.238406|0.176969|0.174728|0.143459|0.135413|0.144153|0.137703|0.089292|0.108028|0.113038|0.049818|0.041010|0.044509|0.048185|0.057331|0.052804|0.500000| |1.696474|2.472958|1.699352|2.736034|1.801375|1.621757|1.668782|1.824831|2.090918|1.997763|3.025397|2.083563|3.064426|3.593897|2.610583|21.670016|3.863215|4.718974|7.599135|8.004424|6.538554|8.791417|17.528860|8.794820|5.453758|4.786141|5.468193|4.207061|4.408388|3.426820|2.803453|2.745442|3.194251|0.047474|0.048202|0.043158|0.043092|0.042799|0.048230|0.061868|0.115781|0.095401|0.153205|0.182206|0.302891|0.210293|0.137606|0.105681|0.093660|0.068950|0.074484|0.086001|0.052101|0.042374|0.047576|0.051228|0.061609|0.052347|0.213456|0.500000| |1.540144|2.185506|1.491762|2.434650|1.542122|1.396215|1.412753|1.517397|1.709327|1.678249|2.539219|1.806850|2.689237|3.048853|2.142622|16.690539|2.921547|3.275576|5.223109|5.557224|4.496388|6.847013|8.859084|17.495469|8.844433|6.664223|5.627265|4.139547|3.682097|2.959808|2.572849|2.708237|3.245635|0.043488|0.044044|0.039384|0.037411|0.036551|0.040564|0.049877|0.087343|0.077459|0.119319|0.113012|0.173546|0.303807|0.173887|0.137750|0.083422|0.063743|0.075582|0.084759|0.044273|0.036874|0.040044|0.042161|0.049617|0.044562|0.210654|0.216476|0.500000| |1.303961|1.839001|1.269128|2.094729|1.308832|1.205653|1.223345|1.310987|1.446275|1.416048|2.096968|1.493480|2.187193|2.429243|1.729835|13.434238|2.247229|2.528685|4.213981|4.120434|3.528762|4.890581|5.460669|8.825667|17.533460|8.794647|5.525439|3.981315|3.289429|2.660923|2.476323|2.738017|3.444822|0.036924|0.036984|0.033746|0.032576|0.032016|0.035396|0.042239|0.064533|0.060845|0.085591|0.091245|0.137441|0.212254|0.303782|0.211281|0.072866|0.060977|0.074904|0.092796|0.037231|0.031946|0.034476|0.036602|0.041482|0.038087|0.133301|0.123022|0.216315|0.500000| |1.463691|2.061522|1.403541|2.300386|1.439121|1.312520|1.320082|1.428092|1.595304|1.580741|2.375204|1.695000|2.520408|2.843196|1.996753|15.539835|2.724993|3.093377|4.950872|5.385248|4.664218|6.858862|5.586252|6.663673|8.797234|17.487933|8.846796|6.597937|4.597458|3.637359|3.322237|3.872933|5.117648|0.041988|0.041298|0.037574|0.035681|0.034369|0.038834|0.047060|0.077121|0.076080|0.117117|0.108740|0.129526|0.137585|0.173522|0.302887|0.102960|0.080091|0.110104|0.123164|0.040557|0.034527|0.036861|0.039506|0.045257|0.042847|0.214236|0.125650|0.193950|0.213775|0.500000| |1.427876|2.057981|1.425614|2.326933|1.497733|1.382098|1.420213|1.566628|1.740596|1.670743|2.457223|1.697547|2.459133|2.814850|2.065938|17.090127|2.911181|3.651765|6.309696|6.239259|6.898937|8.870946|6.960729|5.853727|7.033331|8.950360|17.445523|8.935396|7.323371|4.680152|4.214311|4.505617|6.636273|0.040634|0.039775|0.036829|0.037580|0.037087|0.042635|0.052353|0.078607|0.078242|0.117045|0.177316|0.206833|0.131220|0.208754|0.213927|0.114851|0.094576|0.110991|0.197472|0.042113|0.036032|0.039605|0.044081|0.049329|0.045336|0.175410|0.141359|0.133312|0.142512|0.174297|0.500000| |1.645809|2.343471|1.584433|2.571279|1.631479|1.480099|1.485984|1.639530|1.852656|1.840241|2.781695|1.957039|2.917164|3.377117|2.389574|19.137948|3.501203|4.152647|6.462056|7.678180|6.801380|7.331988|4.685797|4.218379|4.510057|6.646265|8.940908|17.430293|8.855945|6.981958|5.873855|7.049705|8.957512|0.047811|0.045716|0.041982|0.040596|0.038529|0.045081|0.055831|0.093100|0.102140|0.166674|0.139511|0.114919|0.094645|0.111053|0.160952|0.207616|0.131619|0.209164|0.174387|0.045318|0.038434|0.040964|0.045116|0.051657|0.050550|0.220439|0.112739|0.117547|0.107205|0.198054|0.175043|0.500000| |1.568776|2.294164|1.590732|2.574832|1.689097|1.558714|1.609340|1.818527|2.034737|1.934499|2.829340|1.912484|2.744972|3.200406|2.407749|20.868603|3.545275|4.790040|8.739480|7.801757|8.951596|6.410855|4.703618|3.704030|3.814569|4.594376|7.161230|8.992453|17.487786|9.012563|7.167571|5.991928|7.166914|0.044903|0.043066|0.040362|0.042716|0.041917|0.050042|0.062871|0.089278|0.096273|0.133712|0.236508|0.136403|0.088735|0.107397|0.118155|0.174806|0.144128|0.135644|0.214607|0.046871|0.040093|0.044323|0.051198|0.056664|0.053134|0.141787|0.113431|0.093364|0.087948|0.112730|0.218363|0.175284|0.500000| |1.853638|2.746515|1.885643|3.012862|2.006942|1.832059|1.874647|2.169841|2.478074|2.382069|3.512036|2.331331|3.341247|3.990762|3.056680|27.394986|4.667400|6.179323|11.124023|8.542861|6.481685|4.413826|3.423716|2.802281|2.744708|3.195713|4.207087|5.473743|8.796352|17.548865|8.798251|5.451985|4.782538|0.053748|0.050038|0.047311|0.050787|0.048411|0.060719|0.078936|0.106857|0.135074|0.148041|0.164519|0.093520|0.068899|0.074419|0.082555|0.302678|0.210465|0.137528|0.125516|0.054616|0.046371|0.050706|0.060118|0.067042|0.066763|0.114202|0.091162|0.075232|0.066784|0.086139|0.112565|0.141654|0.213955|0.500000| |1.514282|2.197153|1.527494|2.492374|1.605059|1.499329|1.534298|1.735174|1.905117|1.839638|2.647518|1.804696|2.565468|2.922788|2.199447|18.365048|2.945566|3.556405|6.478104|5.227954|4.494864|3.687153|2.956309|2.570281|2.705631|3.245574|4.140719|5.638520|6.868796|8.860613|17.501433|8.844344|6.661701|0.043843|0.041030|0.039268|0.041804|0.040349|0.048870|0.058959|0.072937|0.084661|0.097728|0.117529|0.083239|0.063655|0.075438|0.089755|0.173742|0.303827|0.173880|0.193734|0.043723|0.038510|0.041579|0.048450|0.051682|0.051871|0.093853|0.075198|0.067757|0.066552|0.084871|0.117353|0.133636|0.212516|0.216658|0.500000| |1.394845|1.980229|1.366684|2.252325|1.407128|1.313264|1.324246|1.464388|1.598219|1.579099|2.291841|1.606616|2.313641|2.580017|1.883053|14.917913|2.423250|2.754494|4.757661|4.210769|3.516751|3.292042|2.659505|2.475279|2.736633|3.445201|3.982184|5.529537|4.891995|5.455991|8.824500|17.532280|8.794495|0.040646|0.038059|0.036282|0.036660|0.034945|0.041181|0.048333|0.062355|0.071110|0.084369|0.088014|0.072761|0.060933|0.074797|0.101237|0.137512|0.212296|0.303801|0.213832|0.038409|0.034117|0.035994|0.040513|0.043548|0.044516|0.088316|0.066782|0.066587|0.069366|0.092940|0.107090|0.142693|0.133794|0.123019|0.216313|0.500000| 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