Version2.0 2020-01-24T11:52:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1C)N2C[C@@H](CC2=O)C(=O)Nc3c4c(nn3c5ccc(cc5)[N+](=O)[O-])CS(=O)(=O)C4 C12033006 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1C)N2C[C@@H](CC2=O)C(=O)Nc3c4c(nn3c5ccc(cc5)[N+](=O)[O-])CS(=O)(=O)C4 C01[X(C24H23N5O6S1)] 171 C1 590 O=C([C@@H]1CC(=O)N(C1)c1ccc(c(c1)C)C)Nc1c2CS(=O)(=O)Cc2nn1c1ccc(cc1)[N+](=O)[O-] O=C([C@@H]1CC(=O)N(C1)c1ccc(c(c1)C)C)Nc1c2CS(=O)(=O)Cc2nn1c1ccc(cc1)[N+](=O)[O-] Cc1ccc(cc1C)N2C[C@@H](CC2=O)C(=O)Nc3n(nc4C[S](=O)(=O)Cc34)c5ccc(cc5)[N+]([O-])=O InChIKey=IDSDBSXVJDCUTE-MRXNPFEDSA-N InChI=1S/C24H23N5O6S/c1-14-3-4-19(9-15(14)2)27-11-16(10-22(27)30)24(31)25-23-20-12-36(34,35)13-21(20)26-28(23)17-5-7-18(8-6-17)29(32)33/h3-9,16H,10-13H2,1-2H3,(H,25,31)/t16-/m1/s1 InChI=1/C24H23N5O6S/c1-14-3-4-19(9-15(14)2)27-11-16(10-22(27)30)24(31)25-23-20-12-36(34,35)13-21(20)26-28(23)17-5-7-18(8-6-17)29(32)33/h3-9,16H,10-13H2,1-2H3,(H,25,31)/t16-/m1/s1/f/h25H Cc1ccc(cc1C)N2C[C@@H](CC2=O)C(=O)Nc3c4c(nn3c5ccc(cc5)[N+](=O)[O-])CS(=O)(=O)C4 C01[X(C24H23N5O6S1)] 171 C01 590 O=C([C@@H]1CC(=O)N(C1)c1ccc(c(c1)C)C)Nc1c2CS(=O)(=O)Cc2nn1c1ccc(cc1)[N+](=O)[O-] O=C([C@@H]1CC(=O)N(C1)c1ccc(c(c1)C)C)NC1=C2CS(=O)(=O)C[C@H]2NN1c1ccc(cc1)N(O)O Cc1ccc(cc1C)N2C[C@@H](CC2=O)C(=O)NC3=C4C[S](=O)(=O)C[C@H]4NN3c5ccc(cc5)N(O)O InChIKey=UWPQZKZLHPPJSI-IIBYNOLFSA-N InChI=1S/C24H27N5O6S/c1-14-3-4-19(9-15(14)2)27-11-16(10-22(27)30)24(31)25-23-20-12-36(34,35)13-21(20)26-28(23)17-5-7-18(8-6-17)29(32)33/h3-9,16,21,26,32-33H,10-13H2,1-2H3,(H,25,31)/t16-,21-/m1/s1 InChI=1/C24H27N5O6S/c1-14-3-4-19(9-15(14)2)27-11-16(10-22(27)30)24(31)25-23-20-12-36(34,35)13-21(20)26-28(23)17-5-7-18(8-6-17)29(32)33/h3-9,16,21,26,32-33H,10-13H2,1-2H3,(H,25,31)/t16-,21-/m1/s1/f/h25H 3897.9390751519 -2040.9854291 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22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 6 6 6 6 6 6 6 6 7 6 6 1 6 6 8 6 8 7 6 6 6 7 7 6 6 6 6 6 6 7 8 8 6 16 8 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 31.97207 15.99491 15.99491 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 15623.2429 34866.2366 47053.9051 0.99996 -0.00846 0.00121 0.00845 0.99994 0.00647 -0.00126 -0.00646 0.99998 1 0.00554 0.00248 0.00184 0.11552 0.05176 0.03835 18.96 28.23 30.22 42.33 47.24 55.11 68.71 93.11 100.02 108.19 125.69 166.27 187.64 188.06 205.47 240.92 265.43 272.23 288.54 310.64 338.28 369.98 377.37 407.01 418.38 446.25 466.69 475.25 494.10 511.38 522.42 532.12 561.61 578.48 615.23 657.86 667.92 707.67 710.28 713.18 772.83 775.31 800.53 819.77 834.98 845.77 876.10 902.08 934.55 937.14 966.07 989.64 1004.93 1027.87 1047.34 1071.09 1117.47 1119.39 1131.78 1135.39 1136.03 1161.62 1166.00 1204.97 1237.93 1271.65 1302.91 1325.19 1345.14 1362.38 1370.29 1388.65 1417.51 1448.90 1451.59 1463.57 1484.86 1493.07 1525.94 1528.73 1538.54 1581.30 1598.77 1600.57 1602.04 1616.48 1644.49 1664.76 1677.52 1700.99 1703.69 1725.64 1750.91 1757.20 1768.11 1789.29 1794.33 1796.61 1817.39 1837.40 1861.68 1869.87 1877.57 1881.95 1894.18 1901.89 1934.58 1949.06 1987.73 1995.21 1996.20 2020.31 2062.18 2075.53 2093.25 2095.75 2101.21 2129.89 2194.24 2206.18 2248.36 2253.77 2266.62 2276.30 2284.80 2293.54 2295.35 2313.14 2331.37 2339.24 2357.81 2360.21 2361.65 2362.16 2405.62 2424.07 2425.88 2462.67 2502.10 2554.22 2556.45 2599.92 2622.51 2643.89 2694.06 2854.56 2880.57 4604.00 4610.21 4623.24 4659.48 4675.32 4678.63 4680.32 4706.70 4719.55 4733.73 4736.93 4746.81 4785.66 4804.12 4830.80 4840.89 4875.61 4878.42 4918.53 4939.74 4950.96 4953.50 5576.53 0.491183 0.520159 0.521104 0.426583 -2040.494246 -2040.465270 -2040.464325 -2040.558846 3.170250D-04 MUNgauss RevisionA2.0 retrievium 24-Jan-2020 DUDE Cc1ccc(cc1C)N2C[C@@H](CC2=O)C(=O)Nc3c4c(nn3c5ccc(cc5)[N+](=O)[O-])CS(=O)(=O)C4 C12033006 RHF 6-31G(d) (6D,10F) C1 509.136906 |X|Y|Z| 133.708818 85.827599 33.825760 72.947687 27 6 7 16 22 4 1 |36.858105| |12.607882|36.858105| |7.582610|13.774418|36.858105| |5.011623|7.869133|13.737384|36.858105| |4.415999|6.796231|7.952450|13.775044|36.858105| |5.006934|7.901704|6.936030|7.966229|13.686190|36.858105| |7.502193|13.588804|7.967703|6.851830|7.876922|13.764148|36.858105| |6.436760|7.519565|5.029481|4.438862|5.021345|7.617791|12.602437|36.858105| |3.323141|4.512328|5.156968|7.852289|13.425447|7.787200|5.123770|3.851950|53.358707| |2.890164|3.719822|4.441861|6.510836|7.604473|5.107384|3.902278|3.072396|17.831312|36.858105| |2.392708|2.946325|3.308618|4.330642|5.127578|4.041688|3.170648|2.656828|10.987674|12.419240|36.858105| |2.176833|2.619976|2.964430|3.773896|4.173182|3.357914|2.747502|2.335184|7.978540|8.770778|17.564972|0.500000| |2.381076|2.933601|3.179452|4.068369|5.131849|4.281572|3.275348|2.794514|11.126410|7.926723|12.371955|0.242005|36.858105| |2.875292|3.708113|3.954003|5.233896|7.719871|6.338330|4.363592|3.570764|19.057279|8.105643|7.871902|0.159842|12.537357|36.858105| |2.888929|3.670218|3.699205|4.553869|6.532085|6.467110|4.521935|3.879237|11.302423|5.433265|5.344298|0.119409|7.920280|15.954511|73.516695| |2.256012|2.724862|2.964091|3.680735|4.328569|3.690316|2.965084|2.561230|8.077298|7.523977|12.500562|0.248804|7.521540|5.819511|7.931267|36.858105| |2.413015|2.924000|3.148517|3.852691|4.530196|3.953277|3.196666|2.757267|7.825750|6.804530|7.932322|0.169195|5.658439|5.214417|7.411570|15.992817|73.516695| |1.946019|2.287025|2.447427|2.925605|3.344600|2.978402|2.475802|2.208294|5.855599|5.068658|7.858813|0.204455|6.126770|4.536094|6.673889|13.862430|15.035504|53.358707| |1.792016|2.066314|2.170193|2.512509|2.833093|2.622283|2.237733|2.046630|4.665335|3.825574|5.066881|0.133815|4.378539|3.584141|5.584682|7.760138|11.981989|18.682207|36.858105| |1.791769|2.046673|2.123413|2.410876|2.697400|2.554388|2.217097|2.053576|4.261394|3.407622|4.116035|0.106374|3.598346|3.178610|5.064955|6.069505|11.411962|10.232973|13.957923|36.858105| |1.592412|1.788644|1.838941|2.050526|2.266276|2.180613|1.929349|1.820362|3.504772|2.747407|3.251834|0.086577|2.982563|2.655164|4.354851|4.300442|7.752415|7.279411|8.735055|13.494592|36.858105| |1.503435|1.686564|1.739948|1.945927|2.147489|2.054989|1.815379|1.712382|3.355514|2.635401|3.196213|0.087264|2.999714|2.595360|4.274479|4.050285|6.836436|7.305426|8.448497|8.421464|14.794054|53.358707| |1.600105|1.818192|1.896448|2.160614|2.405857|2.258359|1.960225|1.820854|3.878820|3.109025|3.996254|0.110358|3.700373|3.041211|4.895304|5.200736|8.117226|10.922751|13.994703|8.718587|9.142382|19.119314|53.358707| |1.510530|1.710220|1.789851|2.038520|2.254614|2.106564|1.834552|1.704898|3.645266|2.915020|3.775929|0.108795|3.644194|2.915004|4.733803|4.424578|6.655409|8.816918|7.595530|5.330433|5.568958|10.885222|18.334079|36.858105| |1.426031|1.602478|1.657376|1.865767|2.069661|1.970275|1.728739|1.630081|3.293287|2.544177|3.185688|0.090013|3.260571|2.683789|4.501445|3.572574|5.546627|6.427948|5.322332|4.233487|4.643171|8.824368|10.739027|13.716768|36.858105| |1.342148|1.499708|1.553886|1.741306|1.912455|1.817668|1.607094|1.517528|3.019475|2.325517|2.859910|0.082468|2.980077|2.465197|4.175978|3.037701|4.721085|5.178881|3.977058|3.275043|3.493313|6.096973|7.046381|7.953710|13.802516|36.858105| |1.332613|1.489773|1.560361|1.756130|1.905910|1.784423|1.579862|1.477452|3.020683|2.373933|2.927098|0.087471|2.994082|2.439074|4.072953|3.011707|4.613637|5.086344|3.713205|3.024532|3.119649|5.247436|6.242495|6.953906|7.999824|13.760627|36.858105| |1.398288|1.571940|1.665842|1.893226|2.041749|1.878987|1.655752|1.529377|3.274360|2.656614|3.347824|0.103814|3.267213|2.599316|4.229287|3.451968|5.171448|6.003292|4.250160|3.340175|3.343662|5.565698|7.014920|7.938870|6.839607|7.875928|13.800722|36.858105| |1.492384|1.689513|1.792953|2.053246|2.232788|2.046182|1.787574|1.643091|3.624943|2.990972|3.895611|0.119796|3.636889|2.853058|4.559332|4.297444|6.311839|8.236315|6.037439|4.380614|4.316865|7.433042|10.658906|13.721889|7.897221|6.851163|8.009545|13.765271|36.858105| |1.244259|1.380362|1.443918|1.611110|1.731295|1.627040|1.455281|1.366878|2.703577|2.104112|2.514385|0.075179|2.604092|2.174522|3.680062|2.512044|3.914431|4.034443|2.902021|2.457155|2.522189|4.072599|4.620198|4.537927|5.130941|7.774001|13.061316|7.791480|5.134371|53.358707| |1.191664|1.315289|1.364893|1.511101|1.627170|1.547111|1.391231|1.318689|2.514574|1.924241|2.263867|0.066393|2.381761|2.031575|3.494188|2.270128|3.590888|3.587080|2.617483|2.266036|2.353289|3.772924|4.148588|3.915626|4.686561|7.091750|8.389836|5.432787|4.098899|21.748878|73.516695| |1.228842|1.361138|1.433544|1.599778|1.700739|1.585275|1.423055|1.329539|2.648382|2.083395|2.464001|0.075018|2.516332|2.105483|3.538811|2.414687|3.762557|3.808064|2.685435|2.286385|2.311109|3.649708|4.144778|3.915679|4.096155|5.423782|8.388714|7.107229|4.689080|21.728972|16.004984|73.516695| |1.524777|1.688949|1.718391|1.879878|2.054194|2.010014|1.814432|1.737080|3.081618|2.376976|2.684931|0.071265|2.487930|2.300588|3.837023|3.400211|6.406289|5.263940|5.314054|7.704432|12.746863|10.291920|7.280308|3.931936|3.537326|2.832938|2.553507|2.681642|3.260986|2.918370|3.618143|3.524851|36.858105| |1.677247|1.860087|1.896082|2.065665|2.238494|2.186465|1.985850|1.887451|3.303368|2.567146|2.796837|0.073165|2.510473|2.383402|3.929754|3.598753|7.296311|5.155522|4.835577|7.355454|7.382791|6.742816|5.790999|3.242052|2.858436|2.375915|2.215442|2.372914|2.856253|2.579301|3.179601|3.177402|10.533110|388.023441| |1.595835|1.757396|1.813753|1.969728|2.087249|2.007512|1.841122|1.735521|3.065469|2.438396|2.627941|0.070487|2.312339|2.179405|3.565649|3.294822|6.544513|4.715510|4.252032|5.784920|5.808665|5.914810|5.213655|3.028062|2.632538|2.235464|2.133059|2.321133|2.779028|2.503074|3.063925|3.121632|7.240536|94.296514|73.516695| |1.693155|1.857605|1.860630|1.991767|2.159925|2.161875|1.994434|1.932518|3.109487|2.348163|2.488525|0.064390|2.292083|2.242654|3.769401|3.088795|6.318364|4.267303|3.767077|5.151010|5.165415|5.242557|4.606363|2.709583|2.480634|2.103593|1.953257|2.053833|2.402075|2.313851|2.887467|2.851661|7.142882|94.421977|13.622898|73.516695| |1.925189|2.193902|2.260526|2.533446|2.813365|2.698681|2.372172|2.200879|4.285888|3.381908|3.775878|0.095334|3.265360|3.067461|4.912954|5.384103|11.922861|7.428382|7.061694|12.710735|7.728710|7.175803|7.040797|3.763371|3.187455|2.609645|2.450858|2.674956|3.310036|2.811603|3.424909|3.467979|6.976333|74.794221|12.819079|12.660081|36.858105| |17.538631|8.813546|5.890643|4.286831|3.947609|4.570753|6.647650|6.493733|4.170399|2.697474|2.272534|0.057359|2.247047|2.680035|4.791028|2.193929|4.230260|2.588560|1.773881|1.796606|1.600801|2.042512|2.155315|1.484062|1.402415|1.314050|1.298163|1.359692|1.456973|1.645824|2.062834|2.116399|1.548082|12.212207|2.897066|3.117828|1.955085|0.500000| |17.538883|8.814832|5.886183|4.286898|3.948187|4.569403|6.652413|6.498205|4.165547|2.639504|2.231639|0.056672|2.268353|2.737071|5.009411|2.094075|3.929437|2.489825|1.688447|1.680467|1.506565|1.948783|2.071414|1.447038|1.377202|1.303228|1.292382|1.347289|1.428036|1.651194|2.074159|2.128790|1.442574|11.149800|2.645598|2.818091|1.786472|0.302689|0.500000| |17.581876|8.859277|7.316897|4.775155|3.970106|4.176665|5.551193|4.726611|4.189173|2.772516|2.288535|0.058655|2.243611|2.647227|4.648188|2.147607|4.061431|2.533090|1.712757|1.709168|1.522985|1.961842|2.087970|1.453234|1.367738|1.292165|1.290752|1.359551|1.446944|1.645720|2.054285|2.133300|1.459143|11.424646|2.747664|2.867373|1.832324|0.302074|0.302052|0.500000| |7.050254|8.946742|17.705265|8.967412|5.666111|4.983776|5.653634|4.089141|5.700912|3.876469|2.960486|0.075745|2.802744|3.326180|5.525187|2.667161|5.002042|3.050921|2.002583|1.963086|1.715060|2.214777|2.402730|1.674039|1.549639|1.461074|1.475793|1.578940|1.690355|1.869564|2.306877|2.437873|1.611256|12.648538|3.063865|3.098506|2.087369|0.153066|0.152896|0.226329|0.500000| |4.105099|5.633584|8.950483|17.738987|8.884564|5.644302|4.943043|3.550538|9.735011|7.224566|4.585733|0.115089|4.087792|4.865341|7.264894|3.763705|6.830548|4.078758|2.539638|2.407567|2.046578|2.660054|2.975733|2.077555|1.883135|1.765778|1.802597|1.966006|2.128494|2.253658|2.740728|2.946939|1.863932|14.528273|3.513785|3.453784|2.501556|0.099635|0.099680|0.114219|0.218007|0.500000| |4.085195|5.637520|4.990934|5.671458|8.939894|17.797144|8.959616|7.105840|9.743064|4.725385|4.057711|0.092511|4.540802|6.916060|14.062760|3.807673|7.203387|4.243466|2.766517|2.693091|2.304174|2.958405|3.249729|2.220581|2.097076|1.922793|1.864599|1.944629|2.122543|2.303108|2.873995|2.904766|2.115932|16.158920|3.646019|4.013984|2.818358|0.107662|0.107668|0.096043|0.108152|0.124213|0.500000| |6.508743|6.676310|4.589057|3.966823|4.294245|5.906236|8.824263|17.540691|4.612606|2.755080|2.405999|0.059672|2.553613|3.203969|6.256923|2.290073|4.304404|2.728640|1.859483|1.853333|1.661601|2.146790|2.279882|1.585613|1.525846|1.433841|1.400625|1.443747|1.536207|1.778502|2.248278|2.265879|1.587123|12.133743|2.810349|3.097624|1.962396|0.173313|0.211617|0.133182|0.107755|0.090399|0.153888|0.500000| |6.510234|6.677117|4.591050|3.966633|4.293722|5.910947|8.819759|17.539673|4.619296|2.821136|2.457462|0.060473|2.523363|3.113664|5.846690|2.422607|4.709581|2.860246|1.975571|2.012892|1.790795|2.274171|2.393294|1.634735|1.560391|1.448315|1.407995|1.459030|1.572403|1.771791|2.233880|2.250926|1.731147|13.542213|3.117726|3.510260|2.193012|0.211507|0.173481|0.133187|0.107806|0.090359|0.153929|0.302609|0.500000| |4.726577|5.556525|4.193811|3.990426|4.790301|7.367277|8.854003|17.594396|5.302464|3.062975|2.727815|0.066029|2.939561|3.787842|7.607742|2.660479|5.076769|3.143506|2.150969|2.158540|1.917048|2.455694|2.608911|1.791124|1.724321|1.598688|1.543080|1.587053|1.707999|1.936526|2.448504|2.444581|1.825477|13.973064|3.170103|3.590902|2.299972|0.132967|0.133048|0.103916|0.096168|0.090752|0.229038|0.302066|0.301809|0.500000| |2.978694|3.812282|4.600207|6.538296|7.009084|4.917446|3.906707|3.072963|12.409487|17.656985|8.714567|0.191411|5.757977|5.995483|7.925688|7.329815|13.799679|6.625209|3.838283|3.562850|2.825887|3.600933|4.169217|2.794716|2.421309|2.192392|2.225907|2.496687|2.846644|2.680967|3.210370|3.465005|2.478421|19.691948|4.718521|4.495022|3.701573|0.078404|0.074005|0.079911|0.112841|0.201992|0.123815|0.075602|0.080310|0.084016|0.500000| |2.824502|3.576590|4.431404|6.469156|6.525434|4.458616|3.591366|2.837821|12.310200|17.544796|8.827171|0.226710|6.529207|6.459677|8.369989|5.604966|8.937637|5.783448|3.297636|2.937400|2.441159|3.235373|3.787335|2.681495|2.359766|2.203754|2.290196|2.572078|2.823665|2.809470|3.345641|3.687160|2.132701|16.220644|3.921233|3.720484|2.891569|0.072086|0.072078|0.076829|0.111409|0.227549|0.112183|0.072358|0.072363|0.077362|0.300532|0.500000| |2.189898|2.643402|2.783857|3.411893|4.248616|3.816246|2.988601|2.644893|8.193360|5.719059|8.547399|0.187786|17.607624|8.884935|12.731734|7.187454|9.671542|9.134190|4.907606|3.922815|3.285806|4.575501|5.747330|4.185009|3.811507|3.409714|3.320280|3.539469|3.983202|3.846083|4.622795|4.737011|2.688926|18.743394|4.237505|4.269070|3.426931|0.058151|0.058368|0.057070|0.068662|0.093591|0.116985|0.067189|0.066860|0.078784|0.129058|0.133764|0.500000| |2.258183|2.742085|2.995436|3.775468|4.506763|3.775470|2.994133|2.573015|8.868762|6.526983|8.735712|0.222261|17.559488|8.974810|12.033679|5.574384|7.791262|6.777310|3.724033|3.081842|2.642807|3.687748|4.502789|3.406405|3.104973|2.948284|3.042099|3.309248|3.523864|3.686778|4.385019|4.722553|2.229666|15.831502|3.703067|3.626481|2.792670|0.058660|0.060381|0.059682|0.074615|0.107933|0.108714|0.066708|0.064408|0.074412|0.134198|0.173300|0.302560|0.500000| |1.857170|2.172793|2.330955|2.783403|3.158143|2.804411|2.341675|2.094265|5.553565|4.770942|7.641798|0.222681|6.510370|4.468668|6.631361|9.367264|10.887280|26.067210|9.354716|5.684909|4.580394|6.740709|10.299621|7.443094|5.303097|4.373811|4.432771|5.416866|7.551182|4.664609|5.299598|5.742452|3.397924|22.940182|5.342957|4.850027|4.285146|0.050065|0.048879|0.049494|0.059611|0.079874|0.081472|0.053414|0.054974|0.060802|0.121292|0.116276|0.203396|0.155711|0.500000| |1.421235|1.592094|1.629902|1.821294|2.032451|1.965502|1.730145|1.649068|3.197417|2.421771|2.971129|0.081734|3.078356|2.611754|4.453083|3.384965|5.415890|5.888472|5.086704|4.314434|4.952196|9.390795|9.901241|8.936009|17.767349|8.913702|5.666952|4.938695|5.639481|5.655725|7.152964|6.042188|3.834615|21.263348|4.768612|4.677283|3.273203|0.039020|0.038187|0.037699|0.042203|0.050551|0.058650|0.042794|0.043978|0.048791|0.064506|0.061862|0.100782|0.080219|0.127669|0.500000| |1.282072|1.423978|1.465003|1.627753|1.786142|1.716497|1.528465|1.456701|2.784000|2.109026|2.534764|0.072211|2.686645|2.279516|3.932290|2.662967|4.216689|4.373878|3.356695|2.875342|3.090277|5.224870|5.697778|5.646846|8.905835|17.789056|8.933740|5.633397|4.946444|9.779279|14.194345|8.833000|2.595981|15.507519|3.633918|3.496189|2.355253|0.034907|0.034747|0.034246|0.038296|0.045601|0.050602|0.038410|0.038628|0.042741|0.055284|0.055717|0.085086|0.074262|0.099957|0.213345|0.500000| |1.370612|1.536387|1.639675|1.861355|1.980188|1.808254|1.602754|1.474093|3.155718|2.589058|3.197109|0.101685|3.076235|2.470376|4.005405|3.191142|4.814167|5.303303|3.653410|2.954532|2.914266|4.661981|5.671369|5.640015|4.940490|5.630973|8.942950|17.789091|8.888857|9.797384|8.846768|14.231965|2.400317|15.486679|3.847374|3.372670|2.441585|0.036899|0.036686|0.037224|0.043469|0.054212|0.051466|0.038815|0.039068|0.042203|0.067568|0.071091|0.089620|0.088443|0.130417|0.107380|0.124343|0.500000| |1.538715|1.746120|1.872548|2.156159|2.318777|2.094950|1.831218|1.667070|3.772091|3.219360|4.197302|0.133569|3.670565|2.886889|4.526877|4.690705|6.847285|8.953360|6.303545|4.583828|4.313927|6.964858|9.748203|8.904799|5.630631|4.943392|5.677834|8.926387|17.734166|5.666403|6.051119|7.169553|3.280078|21.210599|5.291908|4.391098|3.508647|0.041707|0.040647|0.041630|0.049239|0.062797|0.059660|0.043174|0.044450|0.047779|0.086343|0.084743|0.107405|0.098042|0.218789|0.124202|0.107463|0.213894|0.500000| |1.416180|1.556152|1.588070|1.727234|1.863471|1.816757|1.655480|1.586557|2.777284|2.156130|2.416548|0.065276|2.236810|2.064757|3.450121|2.973211|5.511954|4.599043|4.453454|5.796580|8.770872|9.029580|6.401680|3.660185|3.323337|2.722774|2.478924|2.602047|3.117263|2.859126|3.548614|3.467481|17.630931|56.889528|12.662565|10.441264|5.310080|0.039908|0.037287|0.037860|0.041691|0.047869|0.052694|0.040553|0.043995|0.046027|0.062376|0.054532|0.066513|0.056555|0.084656|0.098614|0.069625|0.065229|0.087432|0.500000| |1.509138|1.665059|1.675122|1.819774|2.001805|1.990430|1.803724|1.749851|2.977725|2.246888|2.516011|0.066123|2.394293|2.247357|3.810933|3.122055|5.885182|4.740097|4.577644|6.155671|8.826289|8.603420|6.343094|3.588630|3.391779|2.738519|2.426863|2.488410|2.952407|2.803152|3.524498|3.364168|17.607219|56.865450|9.770953|12.630479|5.839056|0.042703|0.039846|0.039914|0.043488|0.049664|0.058790|0.044433|0.048509|0.051494|0.064547|0.056006|0.072532|0.059667|0.086331|0.105657|0.071103|0.061817|0.080767|0.298053|0.500000| |2.062646|2.363308|2.393772|2.669764|3.028774|2.982329|2.606894|2.441507|4.552930|3.442246|3.750497|0.091783|3.356539|3.273645|5.320149|5.218304|12.063670|6.765452|5.922470|8.761789|6.137785|6.152977|6.113974|3.414273|2.998536|2.480433|2.310148|2.475883|2.990737|2.678352|3.294124|3.295465|5.824049|56.948731|9.769515|12.629217|17.635375|0.058569|0.053137|0.053904|0.060636|0.071710|0.088029|0.059724|0.067782|0.071732|0.104209|0.080619|0.098428|0.078697|0.110577|0.086938|0.063032|0.062860|0.086194|0.124485|0.152056|0.500000| 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