Version2.1 2021-01-08T06:39:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)C)NC(=O)CSC2=NN[C@H](N2c3ccccc3)Cc4cc(=O)[nH]c(=O)[nH]4 C39361530 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)C)NC(=O)CSC2=NN[C@H](N2c3ccccc3)Cc4cc(=O)[nH]c(=O)[nH]4 C01[X(C23H24N6O3S1)] 165 C1 547 O=C(Nc1ccc(cc1C)C)CSC1=NN[C@H](N1c1ccccc1)Cc1cc(=O)[nH]c(=O)[nH]1 O=C(Nc1ccc(cc1C)C)CSC1=NN[C@H](N1c1ccccc1)Cc1cc(=O)[nH]c(=O)[nH]1 Cc1ccc(NC(=O)CSC2=NN[C@@H](CC3=CC(=O)NC(=O)N3)N2c4ccccc4)c(C)c1 InChIKey=BXDQYRYEFCFDEH-LJQANCHMSA-N InChI=1S/C23H24N6O3S/c1-14-8-9-18(15(2)10-14)25-21(31)13-33-23-28-27-19(29(23)17-6-4-3-5-7-17)11-16-12-20(30)26-22(32)24-16/h3-10,12,19,27H,11,13H2,1-2H3,(H,25,31)(H2,24,26,30,32)/t19-/m1/s1 InChI=1/C23H24N6O3S/c1-14-8-9-18(15(2)10-14)25-21(31)13-33-23-28-27-19(29(23)17-6-4-3-5-7-17)11-16-12-20(30)26-22(32)24-16/h3-10,12,19,27H,11,13H2,1-2H3,(H,25,31)(H2,24,26,30,32)/t19-/m1/s1/f/h24-26H Cc1ccc(c(c1)C)NC(=O)CSC2=NN[C@H](N2c3ccccc3)Cc4cc(=O)[nH]c(=O)[nH]4 C01[X(C23H24N6O3S1)] 165 C01 547 O=C(Nc1ccc(cc1C)C)CSC1=NN[C@H](N1c1ccccc1)Cc1cc(=O)[nH]c(=O)[nH]1 O=c1cc([nH]c(=O)[nH]1)C[C@@H]1NN=C(N1[C]1[CH][CH][CH][CH][CH]1)SCC(=O)N[C]1[CH][CH][C]([CH][C]1C)C C[C]1[CH][CH][C](NC(=O)CSC2=NN[C@@H](CC3=CC(=O)NC(=O)N3)N2[C]4[CH][CH][CH][CH][CH]4)[C](C)[CH]1 InChIKey=BXDQYRYEFCFDEH-LJQANCHMSA-N InChI=1S/C23H24N6O3S/c1-14-8-9-18(15(2)10-14)25-21(31)13-33-23-28-27-19(29(23)17-6-4-3-5-7-17)11-16-12-20(30)26-22(32)24-16/h3-10,12,19,27H,11,13H2,1-2H3,(H,25,31)(H2,24,26,30,32)/t19-/m1/s1 InChI=1/C23H24N6O3S/c1-14-8-9-18(15(2)10-14)25-21(31)13-33-23-28-27-19(29(23)17-6-4-3-5-7-17)11-16-12-20(30)26-22(32)24-16/h3-10,12,19,27H,11,13H2,1-2H3,(H,25,31)(H2,24,26,30,32)/t19-/m1/s1/f/h24-26H 3253.9071468019 -1833.7686818 1-A 27675.0953 122 425 547 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1566.9054 1576.1563 1596.6453 1603.4283 1616.2856 1632.4206 1634.8204 1635.7717 1636.1584 1640.8607 1660.3608 1676.3919 1677.0061 1715.0115 1782.8440 1792.8275 1806.8220 1823.7683 1846.9956 1850.4884 1970.2762 1992.3968 2010.8234 3186.3669 3201.5241 3227.2889 3243.2058 3245.1995 3256.8754 3265.5992 3278.4130 3291.5501 3291.6565 3316.8926 3351.2201 3359.9986 3364.3434 3373.3217 3382.2580 3389.9664 3397.0721 3430.0000 3434.5011 3803.9355 3853.4426 3874.8147 3879.9136 5.8647 3.3863 7.0174 1.1546 6.2361 5.1900 5.7764 4.5388 5.1407 6.2282 5.9199 7.2581 5.9025 3.5781 4.8788 5.5751 9.2845 3.6410 3.8132 1.5870 5.0541 2.2786 5.4547 6.3414 3.7122 5.2402 3.7682 5.1775 3.2333 5.5229 4.1729 8.9497 6.3983 2.9453 4.9569 2.8786 2.3326 2.6959 1.5452 8.5248 7.0331 7.7380 1.6725 2.4978 4.5626 2.9309 3.4716 3.7226 2.3145 6.6137 3.8708 5.9779 1.6814 4.5772 5.0890 3.7052 1.9529 5.0109 3.6742 2.5442 2.6153 4.8786 5.9371 1.9423 2.7416 2.0820 1.8707 2.2381 1.2442 1.3150 3.6098 2.5963 1.9593 4.0493 1.4917 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12.00000 14.00307 14.00307 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 15.99491 14.00307 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 9069.8197 42516.1057 50147.6091 0.99994 -0.01125 0.00040 0.01125 0.99994 0.00096 -0.00041 -0.00096 1.00000 1 0.00955 0.00204 0.00173 0.19898 0.04245 0.03599 13.68 16.18 25.95 29.91 33.40 42.34 48.10 58.10 69.21 86.40 98.36 106.98 124.82 135.50 171.86 224.04 238.42 251.09 267.27 276.25 304.18 322.12 328.00 362.41 412.53 418.21 464.15 477.42 489.74 511.50 559.26 603.14 632.67 667.01 679.81 703.74 708.17 717.63 752.43 773.48 798.01 812.75 827.50 844.81 856.19 887.53 905.30 916.89 935.16 971.37 973.77 1005.51 1044.89 1067.55 1083.56 1102.10 1120.68 1131.11 1146.55 1172.18 1208.98 1234.22 1242.49 1255.50 1299.32 1334.35 1350.98 1357.72 1376.12 1432.51 1451.01 1456.40 1470.76 1474.36 1512.52 1523.18 1541.73 1555.05 1568.82 1573.54 1577.83 1591.41 1593.14 1606.68 1625.11 1628.20 1632.08 1661.30 1681.02 1686.81 1698.76 1722.06 1733.34 1753.56 1767.75 1801.11 1835.41 1855.89 1863.61 1870.15 1888.84 1894.78 1913.33 1949.39 1957.78 2004.15 2015.55 2031.31 2071.54 2097.98 2115.32 2139.71 2140.42 2197.14 2223.71 2239.06 2248.70 2250.07 2254.43 2267.74 2297.22 2306.98 2325.47 2348.69 2352.14 2353.51 2354.07 2360.83 2388.89 2411.95 2412.84 2467.52 2565.11 2579.48 2599.61 2624.00 2657.41 2662.44 2834.79 2866.61 2893.13 4584.47 4606.28 4643.35 4666.25 4669.12 4685.92 4698.47 4716.91 4735.81 4735.96 4772.27 4821.66 4834.29 4840.54 4853.46 4866.31 4877.41 4887.63 4935.00 4941.48 5473.01 5544.24 5574.99 5582.33 0.486619 0.515818 0.516763 0.417946 -1833.282063 -1833.252864 -1833.251919 -1833.350736 3.314338D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE Cc1ccc(c(c1)C)NC(=O)CSC2=NN[C@H](N2c3ccccc3)Cc4cc(=O)[nH]c(=O)[nH]4 C39361530 RHF 6-31G(d) (6D,10F) C1 464.163061 |X|Y|Z| 149.869585 68.174431 23.799395 62.416630 28 6 7 16 21 6 1 |36.858105| |12.607789|36.858105| |7.544491|13.730038|36.858105| |5.011326|7.894620|13.780126|36.858105| |4.422311|6.810984|7.938151|13.734574|36.858105| |4.992074|7.829008|6.853495|7.904597|13.657871|36.858105| |7.545916|13.730816|8.019220|6.927319|7.968952|13.720432|36.858105| |3.783749|5.001380|4.439022|5.004561|7.510416|12.598374|7.575854|36.858105| |3.326560|4.518726|5.139123|7.788124|13.422078|7.872358|5.172531|6.650637|53.358707| |2.864390|3.688311|4.329772|6.261557|7.664984|5.224202|3.944834|4.661776|19.094907|36.858105| |2.887811|3.665119|4.502857|6.446614|6.568319|4.568785|3.705814|3.904430|11.444852|15.927491|73.516695| |2.364216|2.906948|3.247459|4.231436|5.043600|4.014993|3.148362|3.988796|10.810834|12.526944|14.196895|36.858105| |2.044907|2.425749|2.732167|3.390265|3.656991|3.015657|2.526469|2.938889|6.530039|6.992349|11.882945|10.514123|388.023441| |1.778294|2.067167|2.255882|2.694943|2.950654|2.571010|2.182280|2.619328|5.101529|4.677348|7.530857|7.093379|77.009631|36.858105| |1.762702|2.049003|2.195936|2.605502|2.930415|2.616977|2.202530|2.755933|5.100530|4.378016|6.703531|6.723752|50.347936|15.122055|53.358707| |1.562428|1.783400|1.893895|2.191729|2.415759|2.205776|1.902652|2.325512|4.009784|3.312082|5.278601|4.497595|35.047570|8.886854|18.290388|53.358707| |1.473378|1.667283|1.781614|2.045029|2.203702|2.003323|1.753827|2.072948|3.578993|3.016525|5.018700|3.909516|34.328814|8.419485|11.180905|17.842128|36.858105| |1.385435|1.555532|1.661187|1.888851|2.011745|1.836439|1.625444|1.888985|3.212901|2.666897|4.484401|3.333763|28.587937|6.124752|8.158880|12.398483|17.585430|0.500000| |1.591059|1.816411|1.974804|2.302223|2.455311|2.175061|1.893418|2.202404|4.045792|3.577207|6.065590|4.739111|49.529751|13.804735|11.707787|11.668769|13.108001|0.252483|53.358707| |1.529968|1.730613|1.895489|2.186158|2.270478|2.006064|1.775479|1.993454|3.634867|3.224185|5.755161|3.940158|42.473786|7.555370|7.242675|7.194977|7.516371|0.187281|18.264422|36.858105| |1.537614|1.733240|1.898261|2.175835|2.244341|1.988598|1.770839|1.965883|3.539406|3.158477|5.823315|3.695628|39.682882|5.918360|5.978724|5.686351|5.462763|0.133930|10.580705|13.718233|36.858105| |1.455427|1.621312|1.778309|2.006375|2.028428|1.806726|1.635810|1.766765|3.113239|2.725251|5.145682|3.026227|30.103122|4.198652|4.555662|4.419207|4.049184|0.106261|6.983033|7.926285|13.742988|36.858105| |1.377704|1.524579|1.673819|1.874294|1.876634|1.675014|1.528540|1.631398|2.853524|2.456849|4.614465|2.702964|25.831854|3.673972|4.096464|4.085393|3.710794|0.103119|6.178785|6.859281|7.932138|13.760507|36.858105| |1.371350|1.521778|1.670651|1.879328|1.890415|1.684338|1.530578|1.646161|2.900584|2.485199|4.575865|2.792076|26.531090|3.980486|4.440698|4.550175|4.197835|0.122456|7.026198|7.926214|6.873076|7.943898|13.737637|36.858105| |1.441004|1.615080|1.771411|2.019561|2.064269|1.830702|1.641166|1.805042|3.240377|2.805311|5.042807|3.296692|32.483048|5.354388|5.725995|5.967065|5.828419|0.171177|10.723754|13.711209|7.931844|6.877570|7.935930|13.767833|36.858105| |1.402177|1.574541|1.666044|1.889099|2.036844|1.881419|1.660178|1.962857|3.247703|2.704889|4.564234|3.369295|28.813343|5.943427|7.997840|10.258445|12.294762|0.243858|10.438490|6.023866|5.320740|4.027269|3.535369|3.723999|4.658085|36.858105| |1.295874|1.442241|1.508437|1.688395|1.822984|1.714276|1.525998|1.808468|2.860209|2.309390|3.875178|2.799666|22.326353|4.267856|6.216756|8.274488|7.501252|0.192096|6.789699|4.187926|3.791171|3.132830|2.871327|3.035384|3.611109|12.680043|36.858105| |1.293726|1.437792|1.488031|1.657838|1.808829|1.725944|1.535400|1.850757|2.826311|2.238405|3.714771|2.691891|20.404083|3.753155|5.742104|7.211595|5.470432|0.137611|5.467455|3.375967|3.150241|2.654611|2.427925|2.528515|2.938616|7.594485|14.259280|36.858105| |1.193250|1.314228|1.350897|1.488357|1.615628|1.558334|1.401348|1.673333|2.484143|1.933548|3.221616|2.266941|16.831654|2.958937|4.481177|5.464972|4.044068|0.109130|4.275105|2.743403|2.573881|2.250026|2.105760|2.197015|2.490153|4.955178|7.847041|13.040161|36.858105| |1.173666|1.288158|1.313676|1.438955|1.567941|1.529478|1.379997|1.657207|2.392236|1.836379|3.050326|2.125746|15.396201|2.629883|4.006408|4.678268|3.336300|0.089320|3.687843|2.385432|2.266751|2.003609|1.875972|1.942614|2.175703|3.915463|5.383843|8.062481|15.955188|73.516695| |1.122753|1.230714|1.269879|1.393856|1.496556|1.437090|1.301475|1.525091|2.285836|1.784000|3.001094|2.071680|15.639153|2.727613|4.019686|4.956171|3.836499|0.110101|4.069730|2.685380|2.493789|2.221954|2.124393|2.240905|2.514825|4.533932|7.041862|7.964607|13.701763|15.077650|53.358707| |1.067956|1.164906|1.197613|1.306757|1.399407|1.351131|1.230679|1.434089|2.119930|1.641101|2.766134|1.882342|14.057990|2.397245|3.519412|4.229951|3.216218|0.092782|3.531860|2.363756|2.210775|2.000831|1.929252|2.029917|2.245479|3.663974|5.143649|5.775249|9.318762|13.823247|25.971685|0.500000| |1.121009|1.229688|1.278573|1.407117|1.498781|1.424876|1.291315|1.494829|2.293622|1.811108|3.071318|2.108103|16.367699|2.886123|4.137016|5.205564|4.322554|0.131299|4.501688|3.027643|2.764441|2.472589|2.397665|2.566003|2.888785|5.080288|7.826322|6.743762|7.707816|9.593020|18.959934|0.262575|36.858105| |1.058954|1.155741|1.202539|1.316523|1.391332|1.322884|1.207026|1.378677|2.111557|1.662591|2.839291|1.909179|14.841717|2.553345|3.598535|4.412751|3.656757|0.114131|3.989386|2.768927|2.533968|2.327021|2.308505|2.484685|2.734100|4.062794|5.410163|4.741081|5.354128|7.515327|11.471431|0.214291|15.960823|73.516695| |1.202101|1.327839|1.390207|1.543957|1.646835|1.549525|1.393791|1.619513|2.550296|2.046999|3.472852|2.426966|19.418452|3.567060|5.037512|6.588922|6.052538|0.184869|5.838893|3.854349|3.446155|2.981496|2.846117|3.067010|3.567986|7.808494|13.826334|8.098712|6.881846|8.551223|11.291247|0.165632|13.860028|15.031845|53.358707| |1.192813|1.316399|1.386203|1.540013|1.628671|1.521842|1.372694|1.574563|2.517105|2.036669|3.489382|2.402135|19.705227|3.591320|4.877832|6.265801|6.165130|0.204401|6.157651|4.262471|3.742540|3.279473|3.197917|3.509757|4.079687|7.354130|9.188471|5.853323|5.062385|6.835479|8.145894|0.132435|9.494848|13.912792|26.034603|0.500000| |17.529448|8.841254|6.327304|4.468286|3.973871|4.408828|6.190361|3.466947|4.187158|2.720401|4.959522|2.256302|14.110033|1.722680|2.312258|2.054726|1.434250|0.037421|2.108863|1.499248|1.520787|1.446501|1.364156|1.347752|1.408675|1.376178|1.271199|1.269311|1.170642|2.047929|1.498897|0.029103|1.099421|1.846714|1.604656|0.032505|0.500000| |17.569831|8.831958|5.618513|4.188824|3.957920|4.703629|7.126350|3.782608|4.180692|2.624471|4.609256|2.218819|13.589210|1.690717|2.304363|2.055286|1.417156|0.037083|2.063128|1.450004|1.451561|1.371318|1.300321|1.298453|1.367293|1.351727|1.258540|1.263314|1.171177|2.057201|1.498276|0.029161|1.094537|1.838515|1.590215|0.032106|0.302062|0.500000| |17.564941|8.837278|7.031417|4.686593|3.954899|4.189948|5.668709|3.254170|4.173860|2.695520|4.884691|2.241734|13.997992|1.713664|2.300789|2.051008|1.426903|0.037475|2.101539|1.493490|1.496457|1.425157|1.359008|1.355912|1.418520|1.351947|1.249726|1.241897|1.147859|2.002376|1.477792|0.028718|1.088094|1.833974|1.586726|0.032242|0.302206|0.301732|0.500000| |6.981303|8.910608|17.702602|8.971798|5.656797|4.940853|5.673900|3.549100|5.677812|3.755990|7.202440|2.905137|18.116552|2.109471|2.767472|2.414414|1.687694|0.044013|2.552097|1.824569|1.833144|1.739494|1.649625|1.642086|1.722720|1.579381|1.430969|1.404356|1.279140|2.207030|1.646854|0.031751|1.223409|2.055314|1.807875|0.036955|0.170831|0.142114|0.208900|0.500000| |4.091685|5.635612|8.936503|17.792644|8.937600|5.638668|4.986067|4.082943|9.709494|6.786460|13.897944|4.488839|26.651976|2.876294|3.694344|3.097981|2.146780|0.055180|3.352224|2.366794|2.352986|2.177356|2.040582|2.047658|2.195718|1.963421|1.736720|1.686166|1.507026|2.571533|1.931382|0.036859|1.443978|2.406462|2.169021|0.044448|0.104499|0.096555|0.111217|0.216799|0.500000| |7.018193|8.944232|5.681779|4.978335|5.666801|8.969529|17.694246|7.094969|5.710713|3.320708|5.533969|2.776618|16.098038|2.002402|2.776914|2.429368|1.644415|0.042462|2.386181|1.642590|1.639102|1.518010|1.420898|1.422379|1.521885|1.569047|1.456819|1.476416|1.357395|2.391802|1.713684|0.033194|1.242618|2.066535|1.814034|0.036338|0.165439|0.216059|0.144503|0.124479|0.108054|0.500000| |3.357588|4.297983|3.956002|4.523073|6.527343|8.778751|5.949088|17.500833|8.810489|4.534560|6.563458|4.093151|21.013576|2.702195|3.954042|3.340794|2.147341|0.054520|3.077178|2.019830|1.960181|1.752631|1.629584|1.662474|1.837870|2.006930|1.859960|1.907668|1.729352|3.046601|2.145026|0.041179|1.542012|2.526518|2.269356|0.044928|0.084354|0.094213|0.082840|0.090119|0.106350|0.156778|0.500000| |3.839984|4.778860|3.994304|4.181427|5.566892|8.870389|7.324539|17.597967|6.601551|3.707981|5.769471|3.267668|18.011287|2.300603|3.293854|2.843882|1.878516|0.047889|2.685773|1.801209|1.784738|1.619047|1.500357|1.509366|1.642017|1.799289|1.677764|1.727895|1.579501|2.802567|1.961691|0.037854|1.406080|2.312666|2.056187|0.040728|0.098534|0.111156|0.090141|0.090816|0.096129|0.228271|0.303172|0.500000| |3.317339|4.256083|3.967829|4.597892|6.747953|8.816808|5.822940|17.546206|9.297812|5.060887|7.420312|4.430717|22.863677|2.859214|4.109335|3.415458|2.233812|0.055843|3.232417|2.134198|2.121675|1.887767|1.722097|1.727904|1.903168|2.137250|1.956132|2.011391|1.799693|3.166903|2.211779|0.042240|1.588100|2.586476|2.355790|0.046560|0.087359|0.090546|0.080243|0.090361|0.108509|0.151175|0.301573|0.302120|0.500000| |3.065011|4.031088|4.310129|5.842626|9.237922|7.301172|4.807370|7.454688|26.080097|9.473852|10.882111|7.787706|32.109353|3.803022|5.439906|4.256094|2.708090|0.067399|4.067308|2.620535|2.512695|2.192674|2.017879|2.071013|2.336978|2.445778|2.178160|2.176357|1.915764|3.295095|2.383108|0.045108|1.743626|2.841577|2.629690|0.052560|0.078372|0.080858|0.078444|0.099079|0.148135|0.113444|0.228057|0.145748|0.212357|0.500000| |2.292543|2.799599|3.105519|3.987202|4.714845|3.832689|3.033618|3.850822|9.752348|8.837825|10.894860|17.616152|56.469127|6.758326|9.563668|6.484822|3.940033|0.095330|6.300743|3.762176|3.376577|2.800558|2.575153|2.732162|3.264029|3.264543|2.771228|2.665786|2.270643|3.786255|2.842780|0.052860|2.126689|3.435779|3.309758|0.066834|0.060017|0.060308|0.060911|0.077511|0.116956|0.074846|0.115217|0.088089|0.114041|0.216412|0.500000| |2.296044|2.800824|3.023030|3.809604|4.703355|4.006435|3.116907|4.254482|9.607059|8.867190|11.043977|17.612493|56.385623|6.695097|9.674963|6.364829|3.954956|0.091876|6.167455|3.691583|3.529688|2.874791|2.537718|2.594374|3.048009|3.544477|2.971761|2.929325|2.440566|4.098517|2.974084|0.054977|2.189015|3.484361|3.425345|0.068050|0.061272|0.060533|0.059761|0.074595|0.107339|0.077815|0.120835|0.096870|0.138564|0.210788|0.303384|0.500000| |1.519877|1.727051|1.811682|2.076857|2.308483|2.148500|1.857737|2.306715|3.787883|3.046736|4.838009|4.019812|29.545783|6.509550|13.094566|25.951802|9.212512|0.198530|8.431207|4.305706|3.628917|2.897703|2.670077|2.908237|3.644722|7.328776|6.834902|6.568445|4.797557|7.268851|5.612338|0.096473|4.129968|6.037815|6.955503|0.127039|0.040855|0.041043|0.040557|0.046992|0.059135|0.048844|0.067777|0.058064|0.069499|0.083044|0.116809|0.121245|0.500000| |1.596568|1.807726|1.969909|2.265593|2.367161|2.104890|1.861779|2.096916|3.756585|3.375588|6.198454|3.975346|42.410303|6.140347|6.287892|5.743895|5.282239|0.122911|9.677893|8.915658|17.727555|8.906999|5.643129|4.952838|5.644275|5.556328|3.899220|3.324434|2.668691|4.206731|3.433085|0.061947|2.732110|4.382235|4.616636|0.098892|0.044026|0.041869|0.042845|0.052431|0.067440|0.047896|0.057633|0.052787|0.063754|0.074023|0.097497|0.108806|0.104351|0.500000| |1.444613|1.601023|1.751016|1.958828|1.971606|1.766776|1.610574|1.723857|2.985327|2.593571|4.958606|2.806111|26.864933|3.616418|4.045082|3.884400|3.438340|0.089642|5.661209|5.644859|8.931466|17.724331|8.912824|5.646264|4.954945|3.556068|2.850377|2.473661|2.117515|3.388884|2.830301|0.052376|2.281906|3.825367|3.675508|0.081128|0.040152|0.037755|0.039232|0.047719|0.058786|0.041611|0.047092|0.044114|0.051288|0.058087|0.071322|0.074960|0.072352|0.215305|0.500000| |1.316881|1.445235|1.583904|1.753778|1.740611|1.562723|1.440164|1.516075|2.606803|2.214650|4.187197|2.381817|21.879760|3.051781|3.504339|3.496575|3.081509|0.086313|4.918860|4.945249|5.643419|8.917526|17.722130|8.909065|5.645573|2.991286|2.518607|2.167676|1.914315|3.059595|2.643135|0.049499|2.179262|3.778973|3.438774|0.078313|0.036337|0.034522|0.036204|0.043666|0.052942|0.037292|0.041936|0.038966|0.044250|0.051091|0.063202|0.062372|0.064563|0.124104|0.214793|0.500000| |1.307337|1.441326|1.579546|1.761612|1.760710|1.576580|1.443497|1.537568|2.672038|2.252499|4.137567|2.492962|22.650857|3.374066|3.903480|4.044079|3.601225|0.108061|5.700636|5.643406|4.952444|5.647334|8.906242|17.722448|8.934615|3.198435|2.721377|2.297997|2.039727|3.226206|2.866948|0.053573|2.415242|4.239910|3.830294|0.089477|0.035638|0.034448|0.036077|0.043357|0.053244|0.037361|0.043256|0.039338|0.044486|0.053128|0.068769|0.064349|0.072709|0.107528|0.124095|0.214673|0.500000| |1.421576|1.592574|1.741999|1.984160|2.034565|1.809794|1.621853|1.790863|3.198657|2.725469|4.808631|3.227140|30.119880|5.167043|5.813166|6.304087|5.918998|0.189505|9.913038|8.938894|5.651005|4.955179|5.638652|8.895263|17.724095|4.406503|3.569485|2.920943|2.508952|3.896148|3.483134|0.063681|2.952255|5.007506|4.901164|0.114266|0.038389|0.037606|0.038963|0.046999|0.059736|0.041846|0.051165|0.045255|0.052074|0.064792|0.091840|0.082579|0.105364|0.124320|0.107572|0.123990|0.214655|0.500000| 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