Version2.0 2020-01-25T12:24:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1C(=O)N2[C@@H](CS[C@H]2C(C)(C)C)C(=O)NCCC(c3ccccc3)c4ccccc4 C35214245 RHF 6-31G(d) (6D,7F) Cc1ccccc1C(=O)N2[C@@H](CS[C@H]2C(C)(C)C)C(=O)NCCC(c3ccccc3)c4ccccc4 C01[X(C31H36N2O2S1)] 210 C1 616 O=C([C@@H]1CS[C@H](N1C(=O)c1ccccc1C)C(C)(C)C)NCCC(c1ccccc1)c1ccccc1 O=C([C@@H]1CS[C@H](N1C(=O)c1ccccc1C)C(C)(C)C)NCCC(c1ccccc1)c1ccccc1 Cc1ccccc1C(=O)N2[C@@H](CS[C@H]2C(C)(C)C)C(=O)NCCC(c3ccccc3)c4ccccc4 InChIKey=IZCAXIMYDCMQKW-FIBWVYCGSA-N InChI=1S/C31H36N2O2S/c1-22-13-11-12-18-25(22)29(35)33-27(21-36-30(33)31(2,3)4)28(34)32-20-19-26(23-14-7-5-8-15-23)24-16-9-6-10-17-24/h5-18,26-27,30H,19-21H2,1-4H3,(H,32,34)/t27-,30-/m0/s1 InChI=1/C31H36N2O2S/c1-22-13-11-12-18-25(22)29(35)33-27(21-36-30(33)31(2,3)4)28(34)32-20-19-26(23-14-7-5-8-15-23)24-16-9-6-10-17-24/h5-18,26-27,30H,19-21H2,1-4H3,(H,32,34)/t27-,30-/m0/s1/f/h32H Cc1ccccc1C(=O)N2[C@@H](CS[C@H]2C(C)(C)C)C(=O)NCCC(c3ccccc3)c4ccccc4 C01[X(C31H36N2O2S1)] 210 C01 616 O=C([C@@H]1CS[C@H](N1C(=O)c1ccccc1C)C(C)(C)C)NCCC(c1ccccc1)c1ccccc1 O=C([C@@H]1CS[C@H](N1C(=O)c1ccccc1C)C(C)(C)C)NCCC(c1ccccc1)c1ccccc1 Cc1ccccc1C(=O)N2[C@@H](CS[C@H]2C(C)(C)C)C(=O)NCCC(c3ccccc3)c4ccccc4 InChIKey=IZCAXIMYDCMQKW-FIBWVYCGSA-N InChI=1S/C31H36N2O2S/c1-22-13-11-12-18-25(22)29(35)33-27(21-36-30(33)31(2,3)4)28(34)32-20-19-26(23-14-7-5-8-15-23)24-16-9-6-10-17-24/h5-18,26-27,30H,19-21H2,1-4H3,(H,32,34)/t27-,30-/m0/s1 InChI=1/C31H36N2O2S/c1-22-13-11-12-18-25(22)29(35)33-27(21-36-30(33)31(2,3)4)28(34)32-20-19-26(23-14-7-5-8-15-23)24-16-9-6-10-17-24/h5-18,26-27,30H,19-21H2,1-4H3,(H,32,34)/t27-,30-/m0/s1/f/h32H 4031.7127871584 -1851.04912 1-A 23607.5899 134 482 616 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1126.38 1126.78 1140.73 1163.07 1172.70 1200.65 1211.26 1221.92 1233.84 1246.93 1262.82 1297.97 1310.65 1311.83 1346.30 1374.57 1376.77 1418.99 1427.77 1454.98 1463.65 1471.87 1489.94 1496.39 1512.03 1523.12 1533.23 1557.66 1565.30 1567.29 1578.92 1582.02 1583.70 1589.00 1596.00 1612.30 1617.52 1618.97 1628.44 1631.93 1644.71 1653.45 1659.40 1662.95 1682.96 1694.81 1705.40 1711.26 1716.61 1749.22 1753.79 1770.68 1775.07 1820.18 1848.82 1868.69 1875.16 1880.23 1883.53 1893.02 1900.26 1904.94 1907.78 1923.10 1927.84 1939.06 1947.71 1954.13 2008.88 2018.76 2035.38 2052.69 2060.95 2073.52 2094.05 2107.92 2127.11 2158.30 2171.21 2180.16 2193.54 2238.35 2239.21 2243.46 2256.69 2267.30 2286.29 2310.60 2327.74 2333.26 2342.87 2345.15 2353.94 2355.18 2357.54 2365.12 2365.91 2377.37 2388.91 2393.08 2401.32 2402.14 2402.79 2405.95 2463.68 2552.00 2565.84 2567.79 2597.10 2601.45 2607.63 2791.29 2808.42 4596.91 4609.08 4613.64 4616.91 4630.49 4630.84 4642.79 4647.88 4678.01 4693.98 4697.11 4704.41 4712.48 4717.13 4739.31 4740.40 4749.50 4764.94 4786.32 4795.70 4801.46 4818.98 4820.69 4826.91 4829.25 4831.18 4844.98 4845.56 4848.74 4858.95 4862.63 4865.74 4875.04 4877.26 4879.46 5579.40 0.653961 0.686514 0.687458 0.584825 -1850.395159 -1850.362606 -1850.361662 -1850.464295 3.442328D-04 MUNgauss RevisionA2.0 retrievium 25-Jan-2020 DUDE Cc1ccccc1C(=O)N2[C@@H](CS[C@H]2C(C)(C)C)C(=O)NCCC(c3ccccc3)c4ccccc4 C35214245 RHF 6-31G(d) (6D,10F) C1 500.249750 |X|Y|Z| 56.369119 54.993638 131.930993 74.227843 29 6 7 16 26 2 1 |36.858105| |12.608810|36.858105| |7.597965|13.725101|36.858105| |5.013811|7.851657|13.728701|36.858105| |4.407938|6.775949|7.945372|13.795938|36.858105| |4.984054|7.874236|6.935666|7.990848|13.744007|36.858105| |7.453616|13.581911|7.975532|6.866424|7.882036|13.721804|36.858105| |6.353966|7.518961|5.034737|4.455461|5.046988|7.662595|12.653604|36.858105| |6.464925|6.436971|4.453026|3.833103|4.105602|5.526647|8.104563|15.924129|73.516695| |4.513980|5.168101|3.951102|3.749225|4.424495|6.480791|7.702663|13.730268|14.998594|53.358707| |3.997733|4.581871|3.725488|3.624040|4.258852|5.786423|6.209131|7.564774|9.586976|17.723161|36.858105| |3.429789|4.042881|3.478592|3.566337|4.375594|5.794271|5.426062|5.951941|7.907820|12.369692|17.567652|0.500000| |3.367957|3.547229|2.960039|2.836148|3.175301|3.964684|4.320296|5.378740|7.951736|10.810706|12.414150|0.245955|36.858105| |2.939308|3.056071|2.572203|2.486783|2.800913|3.480589|3.724922|4.888175|7.874450|9.747149|7.150432|0.175216|10.584387|388.023441| |3.604723|3.844160|3.094360|2.961007|3.403090|4.520301|5.037583|7.812424|12.465435|17.615396|7.692822|0.180140|7.214118|73.620831|36.858105| |3.791819|3.823855|3.031260|2.818448|3.128550|4.040800|4.753254|7.573094|14.665613|12.515374|5.933380|0.136735|5.916383|56.355502|17.689752|0.500000| |3.039779|3.324647|2.805258|2.783804|3.267711|4.211286|4.284662|5.736562|9.623353|10.163668|5.343551|0.146476|4.856123|48.135966|12.233646|0.246035|36.858105| |3.252381|3.598103|3.036484|3.007804|3.517819|4.512058|4.608387|5.947571|10.827269|8.437135|4.355845|0.118015|3.771671|32.321273|7.514045|0.195261|12.379152|36.858105| |2.553417|2.681353|2.313617|2.279995|2.587012|3.145912|3.235943|4.116950|7.401285|6.721286|3.995491|0.109018|4.049905|43.314520|7.591711|0.194961|12.375602|7.663085|36.858105| |2.719944|3.080013|2.706073|2.800205|3.404376|4.293058|3.973020|4.722925|7.392962|8.457528|5.287056|0.166132|4.614216|41.329319|7.405139|0.152052|12.414379|7.629581|7.588641|36.858105| |4.650116|5.372640|4.390231|4.128058|4.577922|5.806932|6.584533|6.552237|8.610253|10.249546|12.417693|0.244556|7.784216|33.890188|5.021616|0.123341|3.834721|3.441845|3.064959|3.781319|36.858105| |5.559089|5.748536|4.501496|3.929498|4.054730|4.935250|6.218681|6.362327|9.009395|8.677341|7.984457|0.162690|6.559459|30.686302|4.580029|0.121114|3.458868|3.194950|2.858572|3.251708|15.865603|73.516695| |3.884340|4.637846|4.224737|4.257339|4.763766|5.459342|5.372301|4.803982|6.668661|7.241537|7.835448|0.212440|5.662100|27.337333|3.916719|0.096260|3.264096|2.978333|2.666015|3.410619|14.156429|15.082040|53.358707| |3.763738|4.358759|4.278444|4.259543|4.343548|4.470317|4.479228|3.848570|5.664551|5.354625|5.002196|0.134203|4.121959|21.499467|3.080088|0.078876|2.643179|2.492170|2.231448|2.721739|7.797153|12.163418|17.826898|36.858105| |2.922643|3.341290|3.420707|3.600044|3.724273|3.651028|3.457779|3.042173|4.604265|4.319571|3.938636|0.113092|3.415028|18.718666|2.613799|0.066673|2.330830|2.192927|2.006302|2.469261|5.140319|7.999341|10.625456|12.485879|36.858105| |2.664913|2.955874|3.132757|3.256843|3.187034|3.017551|2.913521|2.563283|4.004080|3.530300|3.047297|0.085642|2.734910|15.619561|2.194933|0.057199|1.982837|1.899688|1.739349|2.070477|3.827894|6.442985|6.780713|7.458978|12.365433|36.858105| |2.227746|2.465068|2.631751|2.806385|2.787319|2.603692|2.459479|2.193010|3.468873|3.043540|2.579388|0.074149|2.349609|13.878140|1.938966|0.050469|1.792625|1.721079|1.590866|1.897003|3.045935|5.073825|5.192322|4.869447|7.423743|12.459715|36.858105| |2.034601|2.255516|2.365855|2.547217|2.615673|2.480834|2.310005|2.098161|3.315369|2.974362|2.541813|0.074754|2.341678|13.961192|1.919989|0.049530|1.793808|1.703272|1.599840|1.929805|2.896280|4.715782|4.931094|4.248767|6.422090|7.411956|13.720129|36.858105| |1.786102|1.964684|2.067438|2.232144|2.288154|2.159943|2.008000|1.839386|2.943362|2.599302|2.173965|0.064015|2.025408|12.408043|1.707736|0.044258|1.619381|1.546048|1.460679|1.745695|2.406098|3.957402|3.936875|3.253963|4.390163|4.958257|7.882590|13.714828|36.858105| |1.699182|1.855457|1.977439|2.128460|2.137052|1.992263|1.865326|1.700631|2.748541|2.367423|1.943424|0.056525|1.811061|11.220595|1.561136|0.040827|1.485205|1.434413|1.345603|1.585119|2.153565|3.606052|3.445944|2.876970|3.681622|4.399749|6.799033|7.923943|13.788526|36.858105| |1.805935|1.965969|2.124217|2.272327|2.226991|2.053275|1.940345|1.748887|2.832389|2.400290|1.958721|0.056226|1.813413|11.169732|1.570264|0.041321|1.483653|1.444206|1.339465|1.565918|2.211479|3.756132|3.529435|3.047235|3.844015|5.012216|7.876011|6.895310|7.972833|13.728181|36.858105| |2.062364|2.255541|2.449659|2.604972|2.523501|2.321344|2.207064|1.965556|3.157339|2.684827|2.213891|0.063066|2.029142|12.258805|1.729823|0.045493|1.613775|1.569262|1.443939|1.694263|2.572159|4.382361|4.189952|3.812672|4.992722|7.579026|13.667333|7.988122|6.909328|7.937054|13.787501|36.858105| |2.577077|2.727850|2.814438|2.795105|2.698562|2.632439|2.645026|2.399513|3.818372|3.298396|2.829871|0.077303|2.651302|15.102907|2.085553|0.055126|1.860497|1.774315|1.656635|1.907370|3.557921|6.320886|5.855657|6.141813|7.489284|12.464393|7.534052|5.432698|4.067804|3.750773|4.273433|5.944696|36.858105| |2.745188|2.819914|2.926756|2.808952|2.621698|2.552027|2.635806|2.382857|3.850494|3.192200|2.663670|0.071111|2.501707|14.421426|2.021943|0.054291|1.795355|1.733565|1.604241|1.807743|3.363891|6.287863|5.212954|5.324842|5.402814|7.521301|5.256231|3.985582|3.230972|3.125899|3.638347|4.830713|13.722827|36.858105| |2.521426|2.502331|2.541748|2.401488|2.253940|2.231456|2.340025|2.174972|3.579823|2.919863|2.407279|0.063657|2.334056|13.632723|1.887692|0.051246|1.672923|1.611310|1.516420|1.667509|2.958783|5.660017|4.372494|4.104361|4.047589|4.990408|3.979211|3.260094|2.765051|2.700543|3.068940|3.789620|7.881897|13.723956|36.858105| |2.235227|2.220682|2.219967|2.122401|2.038095|2.043283|2.127914|2.021519|3.335041|2.768528|2.303602|0.061325|2.294160|13.442334|1.818500|0.049230|1.614521|1.537221|1.478347|1.616289|2.763248|5.203704|4.071388|3.653487|3.736791|4.404002|3.733460|3.221125|2.766102|2.663986|2.932628|3.490543|6.809970|7.936186|13.782571|36.858105| |2.140723|2.173685|2.168392|2.114952|2.072158|2.082559|2.131575|2.030739|3.312685|2.835864|2.407948|0.065144|2.407834|13.987129|1.863748|0.049835|1.660740|1.564683|1.518540|1.685605|2.867326|5.222195|4.355750|3.888318|4.258675|4.985885|4.341086|3.857573|3.240675|3.021565|3.237961|3.851333|7.891183|6.902482|7.965410|13.728233|36.858105| |2.272208|2.371433|2.392178|2.376490|2.345655|2.334431|2.346787|2.195836|3.522507|3.081618|2.662522|0.073137|2.591345|14.834710|1.991634|0.052601|1.779481|1.675215|1.606087|1.829827|3.228416|5.699366|5.177853|4.868619|5.921522|7.480391|6.172094|5.251714|4.067906|3.652974|3.925785|4.953331|13.675571|7.979811|6.892012|7.928366|13.778727|36.858105| |17.605391|8.859437|5.815504|4.255813|3.944667|4.603608|6.782167|6.632132|11.787011|6.694026|4.468451|0.102245|3.865939|23.176452|3.901123|0.115174|3.137545|3.222783|2.651567|2.780257|5.372429|12.687036|5.753957|4.036327|3.055383|2.749257|2.269938|2.079873|1.813218|1.712063|1.812375|2.076951|2.714982|2.891888|2.688155|2.400359|2.295593|2.418108|0.500000| |17.602744|8.864238|6.026584|4.343967|3.952395|4.510167|6.472395|6.193817|12.946707|5.891375|3.645115|0.087775|3.146485|20.522759|3.637261|0.110030|3.123505|3.459035|2.652650|2.719092|3.945863|8.059115|4.508483|3.146060|2.535592|2.322455|1.986300|1.837638|1.633377|1.557894|1.644528|1.852203|2.250584|2.377429|2.217039|1.996352|1.918626|2.019449|0.302674|0.500000| |17.577097|8.900594|7.371175|4.799158|3.982079|4.182200|5.556527|4.695204|8.425521|4.942965|3.367853|0.082415|2.915699|18.113074|2.999632|0.086908|2.594339|2.758726|2.229554|2.370461|3.980682|8.397434|4.777764|3.594846|2.842303|2.681566|2.240062|2.016739|1.776205|1.708620|1.837267|2.105589|2.623914|2.872438|2.648496|2.304331|2.169094|2.286852|0.301207|0.300691|0.500000| |7.102674|8.953650|17.712458|8.942441|5.659222|4.984125|5.661613|4.092402|6.772168|4.505093|3.162795|0.082025|2.622847|16.334014|2.694781|0.074488|2.452299|2.642229|2.076071|2.355530|3.728219|7.027159|4.934180|3.844897|3.151719|3.017140|2.547258|2.259225|1.990190|1.931679|2.102004|2.424421|2.770595|2.968608|2.599952|2.237506|2.147702|2.341392|0.150274|0.158784|0.229214|0.500000| |4.102804|5.615699|8.918375|17.709694|8.919756|5.662263|4.948100|3.560148|5.624972|4.226789|3.054829|0.084688|2.474611|15.590157|2.543797|0.067572|2.428373|2.610814|2.034578|2.468095|3.450962|5.886208|4.981085|3.816959|3.405702|3.216331|2.843154|2.557023|2.269426|2.199800|2.374094|2.706936|2.735536|2.758952|2.350225|2.068527|2.057155|2.313822|0.098593|0.101134|0.114546|0.216376|0.500000| |3.529872|4.901616|5.640533|8.900319|17.717777|8.902784|5.621586|4.120256|6.130491|5.230122|3.791166|0.113041|2.907166|18.566246|3.088800|0.078143|3.070584|3.274360|2.465824|3.329377|3.940133|6.125629|5.807394|3.920450|3.593506|3.093601|2.803297|2.680868|2.374855|2.213822|2.280892|2.546179|2.576051|2.459694|2.115833|1.932830|1.986383|2.261135|0.089871|0.090108|0.090636|0.124231|0.213986|0.500000| |4.066649|5.622078|4.985496|5.674315|8.938948|17.729277|8.937855|7.162082|9.246671|9.783439|6.352525|0.193743|4.252459|27.464364|5.099450|0.119766|5.006849|5.200817|3.567228|5.480138|5.551886|8.008920|7.140822|4.086309|3.477616|2.831220|2.494854|2.438838|2.138157|1.951541|1.978929|2.208868|2.475027|2.358522|2.081937|1.939663|2.001731|2.242340|0.108653|0.105926|0.096072|0.108069|0.124419|0.215412|0.500000| |3.617014|3.623819|2.981542|2.770271|2.997124|3.671594|4.206106|5.244207|8.101990|9.240099|8.857452|0.175226|17.656691|56.379664|6.148528|0.158041|4.171484|3.429327|3.611259|3.794683|7.576438|13.576593|7.202265|4.112337|3.318456|2.724003|2.308332|2.262309|1.955534|1.765206|1.785489|2.008945|2.717279|2.618830|2.481680|2.435037|2.513869|2.655122|0.120312|0.093193|0.087036|0.074511|0.067298|0.075209|0.104519|0.500000| |2.922617|3.096631|2.684136|2.623017|2.929489|3.515064|3.662449|4.226699|6.383054|7.789450|8.748680|0.221590|17.608021|56.555886|5.337634|0.124935|4.080425|3.229448|3.545509|4.151466|6.667870|9.811413|7.632308|4.140640|3.591730|2.839409|2.462877|2.500218|2.154330|1.901059|1.883136|2.100603|2.760050|2.543316|2.374994|2.378384|2.553143|2.763457|0.091583|0.075511|0.072188|0.066810|0.064686|0.076199|0.105124|0.300044|0.500000| |3.424596|3.619234|3.001982|2.878520|3.237095|4.065828|4.436508|5.919883|12.359513|7.695601|3.977448|0.103461|3.565830|30.383220|6.928399|0.213360|8.713081|17.587814|6.891956|5.507500|3.265280|5.596505|3.791286|2.376591|2.074424|1.819890|1.641889|1.612359|1.465010|1.367565|1.384671|1.506454|1.720777|1.700815|1.593812|1.517336|1.530773|1.624275|0.094294|0.104839|0.080145|0.073628|0.069604|0.082345|0.122100|0.093563|0.084102|0.500000| |2.792110|3.076304|2.697128|2.724001|3.169333|3.855436|3.779785|4.486522|8.140715|6.348437|3.595548|0.100576|3.196031|27.295423|5.479958|0.143678|8.826951|17.542456|7.121116|6.967505|2.928448|4.836312|3.563925|2.230965|2.005921|1.755322|1.612253|1.605485|1.471879|1.369692|1.373184|1.479261|1.636742|1.595525|1.486386|1.423172|1.451497|1.551998|0.076177|0.082322|0.067435|0.066119|0.067074|0.084438|0.123210|0.080918|0.078579|0.301141|0.500000| |3.639662|4.254512|3.571467|3.592531|4.350745|5.852477|5.755422|7.023265|11.882478|9.148834|4.650803|0.127219|3.756989|29.573426|6.682032|0.168420|8.695520|17.586187|5.515945|6.965031|3.757551|6.114942|4.456503|2.728162|2.378697|2.049817|1.847386|1.817183|1.641215|1.523513|1.540364|1.682318|1.889999|1.846630|1.697571|1.604948|1.632320|1.762755|0.097633|0.106484|0.084788|0.084077|0.084770|0.110614|0.191461|0.094955|0.089600|0.302398|0.302873|0.500000| |2.370393|2.477115|2.157277|2.131979|2.408899|2.891058|2.955019|3.680689|6.451685|6.195631|3.965826|0.109540|4.277239|49.652883|6.772198|0.167988|8.684126|5.512844|17.566380|6.905625|3.025435|4.986928|3.611671|2.215336|2.010884|1.737804|1.594626|1.615775|1.476053|1.352933|1.339645|1.441153|1.663435|1.600231|1.518543|1.493749|1.544346|1.629791|0.069229|0.067370|0.058065|0.054086|0.053203|0.064225|0.090822|0.104182|0.106732|0.139796|0.144207|0.122262|0.500000| |2.323194|2.456702|2.163972|2.160141|2.452050|2.913422|2.923068|3.546086|6.388264|5.528533|3.386496|0.094833|3.351071|32.728670|5.502967|0.143590|8.796230|7.109555|17.553629|6.903116|2.689996|4.459219|3.269688|2.041782|1.862585|1.628936|1.505664|1.519216|1.398638|1.293014|1.283924|1.374962|1.544769|1.495187|1.412568|1.376920|1.414837|1.497282|0.065935|0.067272|0.057026|0.054201|0.054091|0.065921|0.091879|0.083797|0.083984|0.173188|0.219626|0.144019|0.302657|0.500000| |2.613500|2.666399|2.279248|2.203955|2.448056|2.954946|3.144358|4.067661|7.752419|6.292506|3.689861|0.097053|3.812794|39.563230|7.009135|0.213715|8.731180|6.912217|17.537279|5.493685|2.928401|5.004930|3.425390|2.139837|1.908887|1.672564|1.523644|1.520581|1.389046|1.287084|1.288175|1.390575|1.609118|1.574036|1.498733|1.458823|1.486156|1.558933|0.075750|0.076739|0.063288|0.057338|0.054683|0.064074|0.090092|0.098660|0.091614|0.204226|0.173434|0.140172|0.301096|0.301937|0.500000| |2.943790|3.473048|3.069427|3.256043|4.145207|5.417932|4.663376|5.251104|7.724897|9.373319|6.007573|0.202958|4.694288|36.774633|6.720703|0.139491|8.747688|6.901537|5.492734|17.554402|4.287543|6.323725|5.364835|3.073496|2.773673|2.288042|2.085308|2.116697|1.898680|1.717199|1.699398|1.849829|2.070006|1.950856|1.775681|1.707843|1.785231|1.962317|0.082700|0.080381|0.070998|0.072760|0.078630|0.113342|0.212108|0.106826|0.117713|0.140978|0.169661|0.207173|0.140354|0.140966|0.122455|0.500000| |2.445347|2.753475|2.476856|2.591220|3.122609|3.764458|3.436451|3.912356|6.372931|6.393216|4.086040|0.126528|3.658869|31.895841|5.431800|0.123343|8.824877|7.065049|6.943098|17.544298|3.143750|4.915012|3.966170|2.403217|2.221706|1.895768|1.761790|1.798382|1.647447|1.504965|1.482567|1.589340|1.745264|1.658132|1.533945|1.488021|1.549342|1.676746|0.068430|0.068592|0.060014|0.060524|0.064469|0.086768|0.130098|0.086787|0.094003|0.142551|0.213204|0.175946|0.171650|0.207769|0.141179|0.302574|0.500000| |2.512355|2.798101|2.479932|2.557162|3.054645|3.745625|3.513221|4.123992|6.468032|7.563826|5.300711|0.172006|5.010827|46.949691|6.676024|0.138205|8.715864|5.504191|6.885928|17.592677|3.748389|5.685197|4.660781|2.717098|2.500195|2.083080|1.916819|1.972494|1.784073|1.606825|1.575395|1.700285|1.929858|1.811986|1.678239|1.643914|1.729808|1.876242|0.072476|0.068985|0.061493|0.060646|0.063295|0.083518|0.128331|0.110628|0.130658|0.122330|0.142294|0.140752|0.205700|0.169658|0.140458|0.301073|0.301875|0.500000| |3.473234|4.252583|3.988734|4.268388|5.099748|5.790162|5.128070|4.553869|6.315352|7.080451|7.500333|0.243918|5.267049|27.018465|3.895644|0.093396|3.385079|3.072888|2.732601|3.711751|9.476427|10.933816|26.069524|9.048838|7.363702|4.676692|3.805140|3.755601|3.017268|2.603899|2.618862|3.057362|3.864008|3.381735|2.850903|2.686700|2.909375|3.475993|0.101632|0.084486|0.087303|0.094166|0.102780|0.132775|0.164596|0.128860|0.148599|0.077998|0.075831|0.094643|0.075605|0.069073|0.070346|0.123101|0.088077|0.103810|0.500000| |3.763725|4.065965|3.877217|3.669660|3.638992|3.819231|4.045175|3.647780|5.518312|5.051778|4.661187|0.119404|4.135892|21.283565|2.978343|0.077770|2.511734|2.356356|2.159057|2.528960|7.264759|13.230673|12.597654|17.657257|8.804679|6.715011|4.426894|3.843034|3.003584|2.692590|2.870278|3.571233|6.780755|6.204043|4.884573|4.314839|4.499359|5.457706|0.116444|0.087141|0.101212|0.100119|0.092199|0.090975|0.097593|0.120632|0.115603|0.063380|0.058520|0.070503|0.059875|0.054583|0.058204|0.077461|0.062106|0.070633|0.181207|0.500000| |4.271978|5.162161|5.387054|5.322021|5.080072|4.940108|4.973892|3.972681|5.873625|5.209228|4.521874|0.120233|3.642612|19.890527|2.972527|0.077184|2.584516|2.510271|2.170932|2.632413|6.722822|11.270400|12.398447|17.539672|8.818389|6.862266|4.609887|3.880056|3.061125|2.792929|3.030242|3.812625|5.528770|5.252787|3.985464|3.401316|3.472141|4.212332|0.122553|0.096508|0.115684|0.133764|0.131310|0.122889|0.118317|0.101722|0.098272|0.066896|0.062439|0.077544|0.059019|0.055546|0.058173|0.083055|0.065220|0.071463|0.201464|0.303089|0.500000| |2.818758|3.323300|3.473915|3.852960|4.134026|3.923420|3.518552|3.038954|4.568388|4.327509|3.883515|0.116411|3.266193|18.424418|2.616548|0.066036|2.388058|2.261066|2.037905|2.586950|4.775505|7.179627|9.763452|8.887299|17.508327|8.870069|7.074534|6.683953|4.650244|3.835492|3.906083|4.894283|5.496393|4.293016|3.345950|3.107224|3.482880|4.584942|0.080101|0.068708|0.075594|0.087422|0.102253|0.115110|0.105221|0.085869|0.094845|0.058688|0.057845|0.068797|0.056493|0.052978|0.053359|0.082106|0.065072|0.072336|0.220148|0.173611|0.210937|0.500000| |2.657583|2.965866|2.951172|3.065457|3.229400|3.271424|3.128800|2.873521|4.380967|4.208061|3.932993|0.114244|3.575943|19.371132|2.604128|0.066075|2.315740|2.135832|2.016604|2.469611|4.920226|7.593391|9.730658|8.913329|17.554158|8.759277|6.550492|6.534326|4.468880|3.604600|3.606704|4.460260|6.869778|4.841533|3.873582|3.798530|4.577224|6.465403|0.078325|0.065055|0.071199|0.075794|0.080292|0.087343|0.089247|0.095745|0.108928|0.056033|0.054419|0.063420|0.056893|0.051858|0.053122|0.076061|0.061548|0.070868|0.190874|0.213223|0.173869|0.302630|0.500000| |2.871698|3.222685|3.549624|3.707226|3.482519|3.189118|3.081705|2.633463|4.125201|3.531325|2.968676|0.082621|2.612340|15.117345|2.177522|0.057138|1.974494|1.923512|1.723292|2.045647|3.748207|6.427265|6.445330|7.108652|8.975335|17.537888|9.044490|5.735336|4.265724|4.028266|4.803328|7.273055|9.009155|7.457632|4.834634|4.010703|4.208126|5.610168|0.080741|0.068819|0.081633|0.096410|0.103807|0.092968|0.081031|0.072640|0.073631|0.051383|0.049337|0.058177|0.047377|0.044950|0.046210|0.063077|0.052228|0.056402|0.123130|0.173561|0.215704|0.212379|0.174481|0.500000| |2.090089|2.326157|2.395245|2.574361|2.705724|2.621642|2.430642|2.232232|3.495539|3.226246|2.820950|0.084235|2.607110|15.342443|2.079417|0.053115|1.934993|1.812183|1.719924|2.102493|3.191687|5.078158|5.560135|4.611311|7.233727|6.808817|8.887545|17.732419|8.968434|5.659711|4.965117|5.655595|5.152875|3.775376|3.137113|3.149978|3.829798|5.202841|0.059864|0.052473|0.056821|0.062655|0.070437|0.076939|0.072656|0.069094|0.078731|0.047374|0.047309|0.053569|0.048548|0.045183|0.045141|0.064207|0.054030|0.060319|0.120005|0.114441|0.111605|0.211521|0.232150|0.143974|0.500000| |1.678629|1.843153|1.920235|2.073704|2.155401|2.056321|1.905010|1.765890|2.831604|2.520205|2.106448|0.062596|1.980721|12.268054|1.673709|0.043235|1.599306|1.518241|1.450939|1.738190|2.281880|3.729591|3.691213|2.942467|3.846183|4.050366|5.628358|8.922474|17.709703|8.924508|5.656600|4.970283|3.447072|2.799195|2.455725|2.493588|2.920591|3.551353|0.047415|0.042957|0.046071|0.051091|0.058204|0.062530|0.057300|0.052720|0.058967|0.039828|0.040345|0.044538|0.040922|0.038714|0.038182|0.052272|0.045762|0.049688|0.079544|0.075734|0.076289|0.114227|0.112374|0.098067|0.217488|0.500000| |1.555286|1.689725|1.796265|1.931071|1.942419|1.815268|1.700768|1.561520|2.540799|2.173662|1.767325|0.051424|1.657837|10.411577|1.447667|0.037950|1.387631|1.343027|1.265880|1.481641|1.929971|3.242070|3.036016|2.480867|3.062703|3.524550|4.913436|5.635661|8.913032|17.716716|8.892739|5.643267|3.114389|2.680011|2.376800|2.363781|2.647039|3.084144|0.043430|0.039914|0.043436|0.048864|0.055564|0.056125|0.049641|0.044853|0.048275|0.035596|0.035820|0.039475|0.035378|0.033941|0.033650|0.044341|0.039333|0.041737|0.063887|0.064975|0.067211|0.088792|0.084120|0.091547|0.124444|0.214670|0.500000| |1.708003|1.844769|2.002931|2.131752|2.066070|1.898985|1.804758|1.629216|2.661217|2.219054|1.787585|0.051016|1.660748|10.337855|1.460459|0.038658|1.385187|1.357240|1.256656|1.453806|2.005072|3.441070|3.138381|2.680394|3.230815|4.101678|5.622553|4.963202|5.658518|8.902476|17.712026|8.939581|3.673862|3.304522|2.863071|2.719789|2.916216|3.384744|0.047372|0.043423|0.048600|0.055661|0.062434|0.058696|0.050684|0.045618|0.047593|0.036295|0.035960|0.040153|0.034830|0.033560|0.033690|0.043633|0.038417|0.040481|0.064384|0.070925|0.075175|0.090802|0.084159|0.113821|0.107723|0.124190|0.214237|0.500000| |2.149640|2.331104|2.563439|2.688644|2.535102|2.317319|2.233221|1.974650|3.190896|2.657857|2.167009|0.060893|1.982589|11.992071|1.707906|0.045261|1.586887|1.555300|1.419828|1.647768|2.543917|4.419256|4.070849|3.767967|4.607428|7.101746|8.910682|5.666274|4.969455|5.650292|8.951818|17.699231|6.060799|5.450511|4.181062|3.663362|3.835371|4.739466|0.059844|0.053369|0.061848|0.071776|0.078347|0.070092|0.060404|0.055083|0.056370|0.041738|0.040632|0.046399|0.039189|0.037521|0.038196|0.049889|0.042930|0.045647|0.081001|0.099851|0.108411|0.122297|0.111630|0.217271|0.124107|0.107794|0.124225|0.216491|0.500000| |3.005419|3.104930|3.318222|3.153368|2.850629|2.720313|2.819678|2.486429|4.021213|3.258970|2.670482|0.071053|2.451705|14.258415|2.044248|0.055092|1.821220|1.782079|1.616620|1.826244|3.391824|6.392005|5.210029|5.363888|5.149769|6.995047|4.924138|3.701208|3.046001|2.997607|3.547040|4.720032|8.915462|17.697865|8.934332|5.652857|4.965821|5.658138|0.086324|0.071405|0.089236|0.095491|0.086951|0.073550|0.068543|0.071149|0.068050|0.048676|0.045506|0.053173|0.044425|0.041941|0.044139|0.055050|0.046627|0.050316|0.094116|0.165092|0.161607|0.118519|0.121479|0.230626|0.096625|0.073329|0.071802|0.091039|0.155693|0.500000| |2.546359|2.471551|2.515553|2.338044|2.163308|2.138915|2.269870|2.112672|3.523553|2.795417|2.258735|0.059285|2.191041|12.987555|1.817037|0.049827|1.612598|1.566748|1.467508|1.592275|2.746722|5.350127|3.947086|3.597811|3.431815|4.080733|3.357103|2.797087|2.429721|2.407661|2.737661|3.295783|5.626750|8.918472|17.713576|8.918792|5.653061|4.961613|0.075090|0.062383|0.075679|0.072816|0.063770|0.056106|0.055105|0.065174|0.061110|0.043362|0.040171|0.045803|0.040645|0.038024|0.040542|0.046916|0.040824|0.044266|0.071753|0.116943|0.100308|0.081303|0.090345|0.115095|0.074771|0.060513|0.059744|0.072532|0.102580|0.216237|0.500000| |2.081868|2.038778|2.024870|1.925795|1.850605|1.864647|1.952571|1.878127|3.135097|2.569338|2.111241|0.056021|2.132937|12.697220|1.710647|0.046646|1.522310|1.450597|1.407418|1.514921|2.481323|4.706877|3.569208|3.086045|3.104504|3.527235|3.100663|2.753919|2.431435|2.362261|2.570116|2.958877|4.919179|5.641041|8.913264|17.717152|8.896605|5.640670|0.062170|0.052217|0.059712|0.056942|0.052152|0.048790|0.049360|0.063249|0.061243|0.039970|0.037405|0.041814|0.039563|0.036456|0.038763|0.044120|0.038878|0.042836|0.065931|0.099797|0.080668|0.073681|0.088169|0.091179|0.075187|0.061846|0.059278|0.067343|0.086062|0.124247|0.214569|0.500000| 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