Version2.0 2020-07-18T15:10:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 17-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)c3ccc(cc3)CC C33458185 RHF 6-31G(d) (6D,7F) CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)c3ccc(cc3)CC C01[X(C29H36N2O4S1)] 210 C1 616 CCCN(C(=O)c1ccc(cc1)CC)CC(=O)N(Cc1cccs1)CCc1ccc(c(c1)OC)OC CCCN(C(=O)c1ccc(cc1)CC)CC(=O)N(Cc1cccs1)CCc1ccc(c(c1)OC)OC CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc2sccc2)C(=O)c3ccc(CC)cc3 InChIKey=UUOUJFSZVAFYFA-UHFFFAOYSA-N InChI=1S/C29H36N2O4S/c1-5-16-31(29(33)24-12-9-22(6-2)10-13-24)21-28(32)30(20-25-8-7-18-36-25)17-15-23-11-14-26(34-3)27(19-23)35-4/h7-14,18-19H,5-6,15-17,20-21H2,1-4H3 InChI=1/C29H36N2O4S/c1-5-16-31(29(33)24-12-9-22(6-2)10-13-24)21-28(32)30(20-25-8-7-18-36-25)17-15-23-11-14-26(34-3)27(19-23)35-4/h7-14,18-19H,5-6,15-17,20-21H2,1-4H3 CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)c3ccc(cc3)CC C01[X(C29H36N2O4S1)] 210 C01 616 CCCN(C(=O)c1ccc(cc1)CC)CC(=O)N(Cc1cccs1)CCc1ccc(c(c1)OC)OC CCCN(C(=O)[C]1[CH][CH][C]([CH][CH]1)CC)CC(=O)N(CC1=[CH][CH]=CS1)CC[C]1[CH][CH][C]([C]([CH]1)OC)OC CCCN(CC(=O)N(CC[C]1[CH][CH][C](OC)[C]([CH]1)OC)Cc2sccc2)C(=O)[C]3[CH][CH][C]([CH][CH]3)CC InChIKey=UUOUJFSZVAFYFA-UHFFFAOYSA-N InChI=1S/C29H36N2O4S/c1-5-16-31(29(33)24-12-9-22(6-2)10-13-24)21-28(32)30(20-25-8-7-18-36-25)17-15-23-11-14-26(34-3)27(19-23)35-4/h7-14,18-19H,5-6,15-17,20-21H2,1-4H3 InChI=1/C29H36N2O4S/c1-5-16-31(29(33)24-12-9-22(6-2)10-13-24)21-28(32)30(20-25-8-7-18-36-25)17-15-23-11-14-26(34-3)27(19-23)35-4/h7-14,18-19H,5-6,15-17,20-21H2,1-4H3 3942.4575499250 -1924.9894588 1-A 26598.5500 136 480 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97889 -20.58351 -20.58071 -20.53187 -20.51340 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957.04 967.46 1004.29 1011.88 1017.19 1058.90 1135.99 1144.75 1152.08 1162.23 1164.59 1169.39 1189.84 1202.09 1216.76 1225.66 1237.72 1254.87 1295.09 1332.73 1340.72 1367.35 1383.76 1384.40 1389.54 1397.51 1406.25 1481.05 1488.70 1497.37 1501.03 1511.68 1520.58 1564.53 1576.38 1588.66 1604.54 1614.75 1615.88 1623.55 1624.92 1656.63 1662.90 1682.02 1703.74 1724.89 1725.53 1739.92 1759.86 1770.51 1776.22 1805.01 1840.00 1854.89 1862.47 1862.93 1869.95 1883.85 1890.17 1896.82 1903.43 1920.56 1928.15 1934.59 1969.41 1998.05 2012.94 2015.35 2025.00 2035.34 2061.35 2067.76 2090.44 2102.98 2105.99 2115.79 2122.97 2126.30 2152.57 2158.88 2208.48 2211.64 2240.67 2246.12 2246.52 2255.33 2258.38 2282.25 2301.24 2319.08 2343.39 2347.69 2353.55 2357.16 2358.11 2360.02 2360.77 2366.40 2367.76 2370.97 2375.79 2376.20 2376.57 2380.42 2383.28 2387.16 2389.64 2390.09 2438.23 2457.06 2537.38 2544.06 2577.86 2613.05 2621.82 2754.33 2771.12 4592.66 4602.07 4605.11 4608.18 4608.95 4609.13 4619.30 4649.84 4656.27 4661.79 4671.57 4676.22 4686.76 4690.48 4694.67 4699.37 4702.70 4712.53 4715.23 4716.27 4763.31 4775.94 4781.38 4784.13 4784.87 4796.56 4825.38 4827.17 4840.75 4867.97 4871.98 4882.16 4884.50 4898.62 4898.77 4956.26 0.650331 0.685252 0.686196 0.574864 -1924.339128 -1924.304207 -1924.303263 -1924.414595 3.734094D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)c3ccc(cc3)CC C33458185 RHF 6-31G(d) (6D,10F) C1 508.239580 |X|Y|Z| 86.988805 127.854568 51.814137 83.216471 25 6 7 16 22 2 1 |36.858105| |12.463662|36.858105| |7.528090|12.461857|36.858105| |4.951940|7.606836|13.043479|53.358707| |4.137259|5.805661|7.721783|18.039378|36.858105| |3.544663|4.415789|5.967688|10.462196|12.408681|36.858105| |3.451145|4.124873|5.881572|9.500353|7.993988|15.857526|73.516695| |3.037947|3.606674|4.368522|6.981361|7.675857|14.007493|15.146034|53.358707| |2.623246|2.956485|3.531397|5.303848|4.978879|7.881708|12.621536|17.738564|36.858105| |2.257794|2.540776|3.016307|4.655444|4.162161|5.945472|10.453070|10.381297|12.417261|36.858105| |1.994231|2.177498|2.531838|3.749763|3.174534|4.188607|7.747249|6.767523|7.546452|12.589573|36.858105| |1.949762|2.097063|2.457651|3.565270|2.892715|3.749007|7.395416|5.570333|5.683593|7.569875|13.861163|36.858105| |1.741156|1.840855|2.111382|3.006908|2.395986|2.961199|5.732407|4.359528|4.170559|5.007793|7.908499|13.642231|36.858105| |1.610354|1.697940|1.910399|2.719245|2.187161|2.643197|4.935239|3.991224|3.756920|4.413401|6.794847|7.904438|13.849831|36.858105| |1.634619|1.739569|1.943922|2.798197|2.302862|2.786055|5.034229|4.377728|4.183855|5.007096|7.859315|6.866936|7.938930|13.520312|36.858105| |1.802042|1.948717|2.201695|3.226670|2.727574|3.403983|6.043677|5.589893|5.696154|7.529799|13.591803|7.990296|6.914681|7.915382|13.839638|36.858105| |1.496408|1.583041|1.739121|2.490066|2.040108|2.395152|4.260406|3.744519|3.396448|3.853310|5.169890|4.624819|5.300798|8.165245|14.140531|7.891580|73.516695| |1.479552|1.572969|1.709290|2.461498|2.040568|2.359598|4.094006|3.753018|3.310269|3.677913|4.508057|3.804647|3.994912|5.248391|8.033801|6.744390|24.264270|36.858105| |1.462895|1.526818|1.695902|2.390372|1.897667|2.233584|4.152121|3.320583|2.991074|3.365311|4.592059|5.182812|7.882025|14.137484|8.156122|5.290826|13.131147|4.795238|73.516695| |1.415247|1.465150|1.628170|2.274350|1.774611|2.069172|3.904625|2.999927|2.642755|2.920354|3.783807|4.513539|6.743112|8.042506|5.247612|3.990975|8.522045|3.550468|24.248783|36.858105| |2.832764|3.365368|3.757642|5.967579|6.516835|7.630881|9.448037|17.864789|7.679880|5.698144|4.104650|3.341782|2.751220|2.627684|2.962030|3.727270|4.684916|2.749849|3.970986|2.002761|36.858105| |2.812525|3.203266|3.391022|4.964106|4.898762|5.384849|7.426350|10.431843|6.052635|4.420762|3.568456|2.979733|2.549970|2.490795|2.813868|3.415166|4.571366|2.719433|3.833537|1.932794|12.625916|36.858105| |2.395648|2.652749|2.743605|3.963583|3.674310|3.950253|5.822795|7.093498|4.744243|3.809487|3.273193|2.728136|2.406306|2.423036|2.792222|3.322420|4.688016|2.884564|3.783648|1.889682|7.451563|14.146437|36.858105| |2.364643|2.534844|2.547493|3.541239|3.135634|3.291632|5.032622|5.485162|3.790042|3.085091|2.776875|2.402937|2.174913|2.200991|2.485981|2.836521|4.250604|2.593564|3.509851|1.772625|5.030238|8.189561|13.255903|36.858105| |2.731230|2.880169|2.847169|3.828399|3.348631|3.471671|5.322803|5.576606|3.764340|2.969632|2.662527|2.360982|2.130423|2.116404|2.331211|2.637774|3.928510|2.329611|3.380422|1.732040|4.807601|7.675831|8.243967|14.183281|36.858105| |3.402793|3.739416|3.800835|5.105986|4.714189|4.928222|7.145985|7.987031|4.858610|3.555538|3.022338|2.674706|2.334640|2.251859|2.452443|2.849656|4.001346|2.320936|3.527624|1.816653|6.704520|10.970778|7.474894|7.463797|11.030820|388.023441| |4.157334|5.893765|7.881111|19.032511|7.678179|5.420816|9.383532|5.453358|3.231219|3.017241|2.483149|2.388501|2.040141|1.848536|1.890898|2.155473|3.011096|1.673585|2.913841|1.570085|3.574328|2.994291|2.492635|2.238995|2.371414|21.281331|36.858105| |4.349275|5.903165|7.093925|11.586493|5.357512|4.156401|7.454412|4.422466|2.733229|2.566618|2.181862|2.132912|1.856112|1.686624|1.709730|1.916823|2.744019|1.521001|2.689505|1.462762|2.949501|2.574894|2.192310|2.012814|2.144263|18.765528|15.830036|73.516695| |3.153046|4.116927|5.008432|10.479705|6.463898|5.007673|8.534641|5.326586|3.196908|3.151700|2.563290|2.435946|2.071691|1.884268|1.941283|2.227991|3.091612|1.726085|2.961167|1.587098|3.577457|2.893235|2.451284|2.159148|2.223472|19.445295|12.665191|14.455010|36.858105| |2.764139|3.444055|4.284098|8.390951|5.999128|5.479720|9.714557|5.886721|3.623998|3.775301|2.994188|2.834259|2.358884|2.120274|2.184691|2.542071|3.430220|1.902393|3.288743|1.754382|3.799941|2.968563|2.521156|2.182282|2.213052|19.257849|7.509979|9.751172|13.719926|36.858105| |2.312056|2.784031|3.273706|5.849703|4.385871|4.191017|7.361567|4.961863|3.202345|3.511470|2.860528|2.693868|2.276155|2.071327|2.144629|2.479150|3.396549|1.893711|3.231895|1.720339|3.360178|2.664783|2.336619|2.020208|2.010225|16.925446|5.012649|7.306792|7.922776|13.751667|36.858105| |2.159782|2.585691|2.905130|5.029544|3.704754|3.379523|5.813326|4.120021|2.665369|2.857398|2.401731|2.264186|1.963333|1.817928|1.887381|2.146595|3.045409|1.714907|2.881133|1.538257|2.924243|2.394231|2.140553|1.873441|1.858831|15.347062|4.426113|6.822546|6.797755|7.881993|13.709633|36.858105| |2.335436|2.844020|3.112234|5.411188|3.819535|3.267819|5.542641|3.920501|2.484547|2.560035|2.163801|2.047236|1.789787|1.663637|1.724775|1.948679|2.802286|1.582975|2.654690|1.422581|2.823279|2.356817|2.098925|1.860047|1.866594|15.460238|5.059796|8.010797|7.920956|6.893820|7.984482|13.690255|36.858105| |2.802192|3.555181|3.935162|7.213465|4.730933|3.768606|6.351597|4.319060|2.660740|2.651710|2.216477|2.104381|1.827366|1.686848|1.743096|1.975672|2.817437|1.585734|2.683371|1.440550|3.059406|2.552048|2.223928|1.979738|2.021161|17.135100|7.669727|11.679172|13.714030|7.957580|6.902485|7.890056|13.779810|36.858105| |1.844283|2.148206|2.363272|3.899669|2.915393|2.755758|4.772130|3.497975|2.340630|2.558512|2.217803|2.095600|1.850513|1.734419|1.802547|2.023781|2.941897|1.663069|2.775520|1.482812|2.526038|2.116862|1.940791|1.709111|1.676620|13.502069|3.275074|5.260057|4.413836|5.004529|7.538533|12.584103|7.536789|5.008826|36.858105| |1.716052|1.962910|2.157688|3.458025|2.507646|2.406247|4.283227|3.036384|2.077022|2.268338|2.020697|1.954918|1.750757|1.633927|1.671781|1.844833|2.734495|1.530004|2.640396|1.428023|2.156194|1.846735|1.702371|1.521794|1.502694|12.015260|2.921083|4.871984|3.742563|4.153292|5.650234|7.510244|5.677005|4.173595|12.420949|36.858105| |17.554743|8.782112|5.478702|5.562292|3.567529|3.055477|5.214134|3.680185|2.352279|2.044820|1.821092|1.773020|1.598579|1.493094|1.521180|1.667715|2.498413|1.397707|2.427697|1.320474|2.599090|2.626577|2.282795|2.287573|2.641884|22.581246|3.585340|6.716390|2.828395|2.477735|2.116821|2.011710|2.190178|2.595754|1.737413|1.618253|0.500000| |17.542194|8.778828|6.831332|6.232665|3.698899|3.261254|5.857428|3.776808|2.449908|2.149332|1.918678|1.902778|1.707483|1.569819|1.577813|1.726972|2.564280|1.416560|2.544770|1.396034|2.548362|2.494107|2.150044|2.112702|2.399107|20.795248|4.057659|7.927454|3.073755|2.702630|2.265896|2.117231|2.286783|2.737608|1.812591|1.709268|0.301877|0.500000| |17.529216|8.759623|6.812860|6.239461|4.065833|3.670995|6.378103|4.360500|2.803205|2.360330|2.097654|2.053363|1.835154|1.696921|1.721134|1.895805|2.795787|1.550969|2.736663|1.487565|2.953878|3.006066|2.547475|2.547330|3.009894|27.026973|3.723376|6.647214|2.915607|2.640363|2.221138|2.051712|2.177082|2.564732|1.766193|1.641975|0.301733|0.301495|0.500000| |8.841715|17.580554|8.910817|9.450014|5.134453|3.860007|6.468079|4.341810|2.643938|2.341224|2.015988|1.945268|1.717236|1.588409|1.625969|1.813518|2.642973|1.480213|2.551480|1.380819|3.032436|2.846068|2.407702|2.291818|2.547565|22.644501|6.338315|12.472733|4.361628|3.480444|2.835053|2.697243|3.059043|3.919422|2.228129|2.042702|0.211883|0.210865|0.172690|0.500000| |8.861806|17.506195|8.829420|9.438383|6.255158|4.579639|7.165123|5.286797|3.096327|2.615618|2.222047|2.102743|1.843921|1.717564|1.781143|2.008320|2.894224|1.633265|2.740825|1.467049|3.786132|3.682752|3.005878|2.876871|3.314532|31.428495|5.241956|8.718942|3.936957|3.344706|2.745232|2.563458|2.809140|3.455502|2.142140|1.929498|0.212870|0.173009|0.210573|0.302903|0.500000| |6.892563|8.812751|17.578981|12.574912|7.475837|6.825554|12.223816|6.779923|4.059387|3.309875|2.777831|2.699559|2.302083|2.071796|2.105770|2.394728|3.324567|1.828896|3.248367|1.749528|4.085932|3.760033|2.983338|2.779244|3.162558|31.176642|5.854212|9.189358|4.250340|3.919060|3.062040|2.678319|2.784248|3.376612|2.219614|2.028303|0.140565|0.170100|0.204394|0.173957|0.209974|0.500000| |6.878739|8.862026|17.650131|12.556961|5.750724|4.926318|9.401624|5.054071|3.162527|2.792584|2.396491|2.378987|2.061254|1.850747|1.857640|2.078635|2.953604|1.619384|2.937946|1.603738|3.182318|2.884139|2.398788|2.244183|2.479376|22.569589|7.513937|13.959024|4.802303|4.136032|3.186309|2.834029|3.032536|3.814551|2.317218|2.161195|0.140647|0.204406|0.168705|0.214125|0.173641|0.303861|0.500000| |3.486995|4.724100|5.670874|12.512100|17.641121|8.878428|11.171701|9.225863|4.561556|4.088228|3.094292|2.777797|2.310668|2.130586|2.265632|2.694389|3.592061|2.041508|3.292600|1.724238|6.513922|4.645095|3.609032|3.016292|3.110011|29.424699|7.347602|9.036833|7.575025|7.048791|5.208115|4.416326|4.555355|5.609502|3.371707|2.794027|0.086598|0.088061|0.093692|0.124717|0.142094|0.147077|0.128323|0.500000| |4.534327|6.447466|7.319882|12.585035|17.566271|8.853221|10.837637|9.612508|4.650900|3.740549|2.940032|2.664328|2.248136|2.084591|2.210699|2.597244|3.527090|2.004184|3.242135|1.701345|6.877806|5.679974|4.115765|3.561614|3.922722|41.769296|5.952015|8.222246|4.978872|4.528823|3.580422|3.170954|3.322889|4.024221|2.582877|2.238296|0.110243|0.107128|0.125655|0.150642|0.220960|0.205257|0.145777|0.304789|0.500000| |2.462876|2.723591|3.120971|4.560949|4.214327|5.839273|9.201817|12.555195|17.593564|8.806594|6.890932|5.082111|4.002782|3.816784|4.450121|6.079043|6.572720|3.702461|5.451298|2.655782|7.538605|7.007758|5.770427|4.502252|4.323749|37.748028|2.815784|4.318316|2.778634|3.066331|2.778201|2.383207|2.242959|2.381349|2.132112|1.897150|0.062297|0.063451|0.073690|0.067750|0.080465|0.099051|0.077628|0.109116|0.115809|0.500000| |2.759053|3.043517|3.715747|5.332184|4.709482|7.450789|14.006291|12.500339|17.662171|8.852321|6.902621|6.044103|4.418250|3.809782|4.003931|5.087427|5.742522|3.048527|5.416073|2.751529|5.753377|5.017889|4.024600|3.436088|3.555517|32.726184|3.217736|4.915344|3.082872|3.448050|2.997049|2.500149|2.353494|2.549133|2.192506|1.982394|0.067818|0.072260|0.083220|0.074661|0.086687|0.122955|0.093872|0.114771|0.122103|0.303330|0.500000| |2.326989|2.646323|3.227886|5.106042|4.442013|6.435310|12.399015|9.501340|8.905782|17.592173|8.905900|7.161179|4.718958|3.964412|4.203654|5.649668|5.890590|3.124350|5.514169|2.785318|5.041343|3.859538|3.289664|2.729275|2.680735|23.109665|3.364700|5.031322|3.578496|4.504667|4.130189|3.215037|2.826884|2.933318|2.826771|2.513928|0.058055|0.062201|0.066836|0.068251|0.074340|0.097066|0.084259|0.121661|0.105789|0.174037|0.214065|0.500000| |2.137208|2.424729|2.811489|4.417090|4.019373|5.305344|8.691050|9.496678|8.830917|17.521496|8.892057|5.692859|4.218932|3.968462|4.725220|7.114798|6.791821|3.838679|5.546065|2.683764|6.105039|4.555661|4.043591|3.167725|2.955468|24.580705|2.915948|4.399597|3.134003|3.756674|3.630158|2.992882|2.651225|2.693200|2.715858|2.357825|0.054388|0.056228|0.061450|0.062806|0.070199|0.083771|0.071858|0.115201|0.101495|0.210505|0.173752|0.303067|0.500000| |2.076103|2.238605|2.680960|3.888400|3.089650|4.060039|8.513016|5.688182|5.542467|6.995320|8.949275|17.709832|8.914265|5.646333|4.948428|5.656942|6.520316|3.140622|7.446952|3.920508|3.295387|2.894371|2.592378|2.295952|2.295984|18.900795|2.609482|4.139230|2.644037|3.108792|2.900122|2.397751|2.166937|2.247688|2.188602|2.056632|0.051936|0.056753|0.060579|0.057639|0.061529|0.081951|0.073008|0.081419|0.077566|0.129641|0.174055|0.214388|0.143990|0.500000| |1.693593|1.774081|2.034087|2.864588|2.235010|2.716517|5.345548|3.878460|3.561382|4.098406|5.655318|8.933025|17.759889|8.948367|5.637169|4.977163|7.594350|3.331280|12.550821|7.509442|2.451800|2.286988|2.153167|1.974901|1.956887|15.237288|1.960253|3.206360|1.978212|2.237038|2.155575|1.869214|1.711642|1.750219|1.765188|1.692578|0.043178|0.046544|0.049525|0.046111|0.048920|0.061389|0.055872|0.059621|0.058212|0.094044|0.107245|0.112385|0.097380|0.217110|0.500000| |1.794229|1.953137|2.179846|3.220905|2.772553|3.396064|5.799298|5.769292|5.615319|7.031984|8.915068|5.682922|4.975597|5.633165|8.967176|17.742359|12.619468|7.551484|7.596148|3.331796|4.089143|3.765221|3.781052|3.135028|2.825245|21.345228|2.148843|3.382883|2.234935|2.531264|2.485260|2.174642|1.979273|1.998712|2.056611|1.850411|0.046400|0.047395|0.052288|0.050585|0.056566|0.065469|0.056575|0.077166|0.074209|0.177062|0.130897|0.143924|0.214340|0.124493|0.107969|0.500000| |1.476522|1.584165|1.724353|2.515580|2.095953|2.412103|4.157231|3.839623|3.332620|3.848144|4.576506|3.754843|3.800687|4.749998|7.043962|6.740988|16.445385|17.548352|7.515586|3.238722|2.844972|2.741898|2.897394|2.547517|2.274646|16.299908|1.722094|2.769872|1.799634|1.999655|2.016768|1.827216|1.671378|1.659096|1.785572|1.632084|0.038750|0.039261|0.042712|0.041619|0.045734|0.050866|0.045333|0.059025|0.056795|0.101547|0.083433|0.091069|0.116495|0.086892|0.088213|0.227085|0.500000| |1.565216|1.663778|1.801710|2.585022|2.166799|2.515502|4.304912|4.090786|3.634898|3.857741|4.575718|3.754344|3.800906|4.751678|7.048240|6.742162|16.446296|17.547468|7.517200|3.239409|3.043312|3.092691|3.355685|3.011334|2.658524|18.542241|1.737696|2.798466|1.777696|1.945303|1.914104|1.732212|1.611365|1.627279|1.662997|1.520154|0.041086|0.041359|0.045825|0.043227|0.048332|0.053910|0.047034|0.059871|0.059757|0.118043|0.091937|0.088954|0.111701|0.086872|0.088206|0.226678|0.298941|0.500000| |1.373921|1.451159|1.562996|2.236330|1.834882|2.085856|3.625951|3.262008|2.800126|3.043591|3.612511|3.191994|3.418267|4.411074|5.890963|4.913532|17.032861|17.643342|7.776530|3.345372|2.409004|2.413569|2.583052|2.378658|2.142137|14.936302|1.529689|2.490643|1.574215|1.719734|1.717501|1.572379|1.459264|1.458654|1.535251|1.421582|0.036243|0.036613|0.039949|0.038072|0.041811|0.046244|0.041288|0.051019|0.050311|0.086091|0.072736|0.073791|0.087804|0.075181|0.082083|0.147130|0.299990|0.299975|0.500000| |1.478876|1.520409|1.694151|2.341797|1.817952|2.129723|4.055945|3.068231|2.713576|2.919239|3.736806|4.580531|6.745592|7.059970|4.754774|3.799889|7.518542|3.240311|16.443475|17.550696|2.025948|1.968371|1.909895|1.805076|1.783664|13.364738|1.606731|2.667829|1.606652|1.766608|1.711919|1.527043|1.421096|1.450839|1.459378|1.406084|0.038214|0.040604|0.043421|0.039614|0.042153|0.050927|0.046473|0.048581|0.048512|0.075567|0.080329|0.077618|0.073186|0.113400|0.225700|0.088238|0.081764|0.085021|0.084334|0.500000| |1.403208|1.458723|1.629100|2.289386|1.775156|2.065436|3.930894|2.957235|2.580032|2.914273|3.736166|4.580215|6.743826|7.054987|4.752773|3.798737|7.518105|3.239982|16.443219|17.550351|1.963715|1.867719|1.812012|1.688331|1.652478|12.445744|1.594092|2.642595|1.622487|1.806644|1.783813|1.590634|1.461488|1.472990|1.539834|1.492981|0.036309|0.038609|0.040741|0.038360|0.040390|0.048330|0.044823|0.048116|0.046878|0.070637|0.074453|0.078990|0.074465|0.113415|0.225890|0.088241|0.084993|0.081768|0.084331|0.299009|0.500000| |1.317779|1.358494|1.495187|2.082068|1.619870|1.861830|3.481455|2.696009|2.331391|2.539479|3.176721|3.616496|4.912364|5.892947|4.406997|3.414021|7.766054|3.343264|17.025447|17.643477|1.827165|1.780015|1.757932|1.664325|1.622417|11.948576|1.443087|2.402351|1.458325|1.599352|1.574888|1.422445|1.321155|1.334523|1.379304|1.332107|0.034340|0.036114|0.038418|0.035675|0.037839|0.044426|0.040923|0.043854|0.043397|0.065670|0.066888|0.067275|0.065980|0.089152|0.146562|0.082084|0.084254|0.084276|0.090765|0.299940|0.299951|0.500000| |2.447058|2.854222|3.163166|5.023256|5.087626|5.930243|8.092322|12.484007|7.165663|6.197416|4.430248|3.458196|2.852005|2.774523|3.219842|4.162470|5.114695|3.069564|4.167057|2.071031|17.557591|9.031464|7.164474|4.688050|4.186353|36.391426|3.173069|4.718409|3.311762|3.628152|3.367084|2.940917|2.767911|2.898433|2.601921|2.202033|0.063041|0.062162|0.070320|0.073122|0.087350|0.093722|0.076787|0.150479|0.141333|0.204562|0.143964|0.145471|0.209298|0.092264|0.069611|0.133109|0.090318|0.094417|0.073765|0.057452|0.056477|0.052510|0.500000| |2.990888|3.690270|4.035863|6.722989|7.815309|7.299259|8.919801|12.453927|5.637242|4.631008|3.452335|2.915749|2.437630|2.320964|2.571378|3.142618|4.120385|2.415338|3.562177|1.819951|17.654492|8.947126|6.065848|4.442694|4.347438|42.443865|4.036010|5.804596|4.077429|4.170333|3.642240|3.225245|3.187204|3.509622|2.728216|2.289435|0.076662|0.074097|0.084583|0.093757|0.118036|0.116714|0.093274|0.240840|0.238469|0.147855|0.128130|0.121913|0.138542|0.081315|0.061336|0.094529|0.069852|0.073009|0.059707|0.051058|0.049931|0.046409|0.306064|0.500000| |2.149494|2.384318|2.482130|3.647209|3.344517|3.603320|5.398208|6.415991|4.453421|3.838391|3.331845|2.727180|2.419211|2.475485|2.915598|3.493598|4.968489|3.151777|3.866775|1.910951|6.659951|8.926826|17.725995|8.585533|5.735731|37.743965|2.349404|3.676740|2.367853|2.469992|2.341701|2.155577|2.087967|2.171846|1.982449|1.729857|0.057045|0.054267|0.062706|0.061127|0.073927|0.073828|0.061139|0.094223|0.100412|0.149278|0.102946|0.091107|0.118373|0.071002|0.059689|0.114732|0.089651|0.102430|0.078075|0.053034|0.050979|0.049511|0.208926|0.154119|0.500000| |2.109451|2.232957|2.230414|3.092888|2.674012|2.790050|4.363652|4.533202|3.222516|2.733909|2.529565|2.207997|2.035967|2.090502|2.365696|2.641630|4.137182|2.560424|3.381542|1.706952|4.021530|5.712417|8.577240|17.748160|8.919976|37.719858|1.993915|3.221332|1.938180|1.960860|1.839913|1.722364|1.707874|1.799493|1.591184|1.424585|0.057231|0.052878|0.062723|0.056801|0.069508|0.066846|0.055385|0.072335|0.082749|0.105174|0.082070|0.067520|0.078470|0.058238|0.051534|0.081356|0.069496|0.082773|0.066309|0.048084|0.045004|0.044904|0.108772|0.101144|0.201471|0.500000| |2.699144|2.755530|2.669455|3.502575|2.956201|3.026001|4.769080|4.660848|3.208702|2.594154|2.377081|2.153572|1.972613|1.960927|2.129545|2.358453|3.617738|2.128744|3.173483|1.641990|3.826059|5.403252|5.687389|8.770102|17.789438|55.348160|2.192896|3.584130|2.038424|2.012582|1.832046|1.706186|1.723243|1.867245|1.546009|1.398599|0.073608|0.065908|0.083429|0.067814|0.087288|0.082074|0.065350|0.076006|0.095289|0.100082|0.086685|0.065990|0.071080|0.058454|0.050881|0.069198|0.057339|0.066886|0.055056|0.047179|0.043436|0.042976|0.094305|0.098865|0.122543|0.203604|0.500000| |2.860296|3.519323|4.606546|8.875813|6.504708|6.819893|13.237267|6.877783|4.283261|4.483588|3.461320|3.304490|2.675975|2.357062|2.411420|2.837073|3.720288|2.039028|3.606479|1.922736|4.105155|3.166982|2.649184|2.284382|2.329230|20.593135|6.918323|9.072338|8.911492|17.730799|8.924176|5.626372|4.964091|5.653190|4.087351|3.546596|0.070104|0.077821|0.077347|0.095403|0.094326|0.121923|0.123761|0.192085|0.131939|0.096831|0.115041|0.157022|0.118677|0.103331|0.070299|0.077242|0.059217|0.058011|0.050799|0.054075|0.055037|0.048238|0.107559|0.120081|0.071552|0.056652|0.058643|0.500000| |2.125105|2.502627|2.940666|5.051498|3.886510|3.984271|7.157341|4.895767|3.299802|3.816320|3.133648|2.953158|2.479560|2.246315|2.323216|2.694791|3.651406|2.023622|3.482257|1.848049|3.278389|2.603688|2.309325|1.988627|1.960511|16.325759|4.085872|6.120563|5.645802|8.946618|17.696188|8.912638|5.660835|4.965830|6.992269|5.540671|0.054120|0.057966|0.057482|0.069719|0.068784|0.078517|0.079817|0.123843|0.089760|0.079276|0.085322|0.127485|0.110468|0.088209|0.064959|0.074504|0.060357|0.056256|0.050743|0.050715|0.053646|0.046785|0.093715|0.095420|0.064993|0.050543|0.049577|0.216316|0.500000| |2.157841|2.581890|2.738199|4.565557|3.233071|2.790221|4.730737|3.424463|2.198954|2.257906|1.943165|1.842506|1.632269|1.530333|1.586978|1.775601|2.603629|1.476831|2.463051|1.322554|2.510542|2.145660|1.941140|1.738072|1.739692|14.165141|4.130830|6.884659|5.643982|4.961301|5.661625|8.906336|17.697626|8.950469|6.992494|5.580136|0.057040|0.058774|0.055747|0.077828|0.071172|0.068377|0.074381|0.104688|0.080847|0.055990|0.057991|0.068147|0.065189|0.053747|0.043487|0.050262|0.043295|0.041699|0.038068|0.036638|0.037700|0.034310|0.068771|0.078355|0.053838|0.044694|0.044895|0.107687|0.124210|0.500000| |2.941782|3.747893|3.928785|6.820076|4.324503|3.384939|5.691020|3.921285|2.424897|2.372059|2.012433|1.918845|1.684509|1.563265|1.612721|1.812272|2.625349|1.480563|2.504908|1.349076|2.817600|2.420620|2.122487|1.918893|1.975918|16.637839|7.172169|12.468251|8.935369|5.659984|4.968906|5.625103|8.918333|17.733288|4.086281|3.564578|0.076796|0.079912|0.073250|0.120157|0.100518|0.091690|0.106244|0.136383|0.107166|0.061129|0.065089|0.071673|0.066625|0.056692|0.044996|0.050990|0.042799|0.042326|0.038036|0.037849|0.038179|0.034867|0.073428|0.089914|0.057181|0.048598|0.051151|0.124346|0.107773|0.215785|0.500000| |1.784002|2.074008|2.232548|3.644737|2.739088|2.543799|4.338668|3.269160|2.175045|2.339629|2.039760|1.916580|1.707167|1.616567|1.689430|1.888712|2.785323|1.588221|2.602971|1.388406|2.417125|2.052512|1.899715|1.680433|1.643337|13.105343|3.038161|4.938896|3.973166|4.218585|5.679220|8.916983|7.128413|4.723770|17.542978|8.852451|0.047135|0.048481|0.047318|0.060140|0.057935|0.058102|0.060405|0.088283|0.068798|0.055775|0.056447|0.070365|0.069425|0.055099|0.045193|0.053782|0.047348|0.044252|0.040941|0.037952|0.039845|0.036063|0.069213|0.073227|0.054061|0.043653|0.042176|0.097178|0.143900|0.213110|0.111874|0.500000| 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