Version2.0 2020-07-27T16:14:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)n2c(nnc2SCc3ccccc3)[C@@H](C)NC(=O)Nc4cccc5c4cccc5 C16568881 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)n2c(nnc2SCc3ccccc3)[C@@H](C)NC(=O)Nc4cccc5c4cccc5 C01[X(C29H27N5O1S1)] 183 C1 598 O=C(N[C@@H](c1nnc(n1c1ccc(cc1)C)SCc1ccccc1)C)Nc1cccc2c1cccc2 O=C(N[C@@H](c1nnc(n1c1ccc(cc1)C)SCc1ccccc1)C)Nc1cccc2c1cccc2 C[C@@H](NC(=O)Nc1cccc2ccccc12)c3nnc(SCc4ccccc4)n3c5ccc(C)cc5 InChIKey=BSLYQBHGHQPOGK-OAQYLSRUSA-N InChI=1S/C29H27N5OS/c1-20-15-17-24(18-16-20)34-27(32-33-29(34)36-19-22-9-4-3-5-10-22)21(2)30-28(35)31-26-14-8-12-23-11-6-7-13-25(23)26/h3-18,21H,19H2,1-2H3,(H2,30,31,35)/t21-/m1/s1 InChI=1/C29H27N5OS/c1-20-15-17-24(18-16-20)34-27(32-33-29(34)36-19-22-9-4-3-5-10-22)21(2)30-28(35)31-26-14-8-12-23-11-6-7-13-25(23)26/h3-18,21H,19H2,1-2H3,(H2,30,31,35)/t21-/m1/s1/f/h30-31H Cc1ccc(cc1)n2c(nnc2SCc3ccccc3)[C@@H](C)NC(=O)Nc4cccc5c4cccc5 C01[X(C29H27N5O1S1)] 183 C01 598 O=C(N[C@@H](c1nnc(n1c1ccc(cc1)C)SCc1ccccc1)C)Nc1cccc2c1cccc2 O=C(N[C]1=[CH][CH]=[CH][C]2[C]1[CH]=[CH][CH]=[CH]2)N[C@@H]([C]1[N][N][C]([N@@]1[C]1[CH][CH][C]([CH][CH]1)C)SC[C]1[CH][CH][CH][CH][CH]1)C C[C]1[CH][CH][C]([CH][CH]1)N2[C]([N][N][C]2[C@@H](C)NC(=O)NC3=CC=C[C]4C=CC=C[C]34)SC[C]5[CH][CH][CH][CH][CH]5 InChIKey=BSLYQBHGHQPOGK-OAQYLSRUSA-N InChI=1S/C29H27N5OS/c1-20-15-17-24(18-16-20)34-27(32-33-29(34)36-19-22-9-4-3-5-10-22)21(2)30-28(35)31-26-14-8-12-23-11-6-7-13-25(23)26/h3-18,21H,19H2,1-2H3,(H2,30,31,35)/t21-/m1/s1 InChI=1/C29H27N5OS/c1-20-15-17-24(18-16-20)34-27(32-33-29(34)36-19-22-9-4-3-5-10-22)21(2)30-28(35)31-26-14-8-12-23-11-6-7-13-25(23)26/h3-18,21H,19H2,1-2H3,(H2,30,31,35)/t21-/m1/s1/f/h30-31H 3576.0952954466 -1858.560256 1-A 31723.5037 130 468 598 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|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|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| 8.9916 10.7533 12.5230 15.4243 20.8669 22.5033 31.0173 41.8143 47.5883 56.2605 61.4266 69.7724 75.1935 87.6109 108.3535 130.2514 136.7635 159.4254 163.1304 179.8158 191.2607 225.2899 249.9616 268.9831 274.8968 288.6734 310.9748 319.9175 335.5579 345.6203 361.6250 364.7037 368.2593 447.5144 455.3334 461.6681 463.7297 467.9722 480.0145 513.2462 517.3457 523.0873 529.1229 537.5871 552.0342 564.4328 577.9374 626.0283 627.3831 659.7559 665.9103 680.8816 695.4962 696.4251 702.5829 747.4152 769.0537 776.3665 790.3869 801.1400 814.0955 825.4192 834.9564 851.0627 856.8776 859.6522 868.8616 871.9270 892.8614 893.4262 909.8503 936.9555 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22.19 30.02 32.38 44.63 60.16 68.47 80.95 88.38 100.39 108.19 126.05 155.90 187.40 196.77 229.38 234.71 258.71 275.18 324.14 359.64 387.01 395.52 415.34 447.42 460.29 482.79 497.27 520.30 524.73 529.84 643.87 655.12 664.24 667.20 673.31 690.63 738.45 744.35 752.61 761.29 773.47 794.25 812.09 831.52 900.72 902.66 949.24 958.10 979.64 1000.66 1002.00 1010.86 1075.36 1106.50 1117.02 1137.19 1152.66 1171.30 1187.59 1201.32 1224.49 1232.86 1236.85 1250.10 1254.51 1284.63 1285.44 1309.07 1348.07 1367.60 1371.93 1376.93 1400.21 1422.02 1436.47 1484.63 1503.93 1555.49 1560.65 1565.16 1570.10 1575.17 1583.93 1587.83 1588.50 1593.95 1597.00 1608.91 1615.35 1621.29 1627.12 1637.35 1659.18 1685.58 1690.18 1703.04 1720.87 1721.57 1727.45 1748.15 1762.47 1771.75 1832.32 1834.04 1852.69 1872.15 1872.76 1874.06 1876.49 1885.91 1898.35 1906.41 1940.39 1950.94 1981.18 1987.16 2014.89 2047.03 2064.60 2098.56 2116.24 2131.87 2136.36 2161.42 2168.77 2227.16 2240.19 2255.68 2256.81 2273.11 2303.78 2332.28 2344.54 2346.27 2350.89 2352.73 2354.15 2368.38 2405.15 2409.32 2431.69 2444.31 2457.68 2480.68 2545.99 2555.84 2570.68 2572.49 2602.80 2607.15 2620.01 2650.47 2781.53 4614.20 4630.96 4698.55 4718.01 4727.20 4730.36 4741.85 4766.46 4809.33 4825.05 4826.04 4831.47 4832.96 4843.47 4843.85 4844.24 4845.50 4860.24 4863.74 4867.26 4875.39 4876.33 4879.22 4886.52 4939.32 5568.39 5589.60 0.544051 0.574681 0.575625 0.472671 -1858.016205 -1857.985575 -1857.984631 -1858.087585 3.453094D-04 MUNgauss RevisionA2.0 retrievium 27-Jul-2020 DUDE Cc1ccc(cc1)n2c(nnc2SCc3ccccc3)[C@@H](C)NC(=O)Nc4cccc5c4cccc5 C16568881 RHF 6-31G(d) (6D,10F) C1 493.193632 |X|Y|Z| 159.465870 71.945748 33.435859 72.659955 33 6 7 16 27 5 1 |36.858105| |12.611962|36.858105| |7.550764|13.699113|36.858105| |5.012904|7.888031|13.771891|36.858105| |4.431744|6.832345|7.956249|13.754717|36.858105| |5.011259|7.887243|6.890920|7.941104|13.759670|36.858105| |7.548307|13.704799|7.979144|6.891747|7.956526|13.765357|36.858105| |3.326097|4.517295|5.146516|7.820520|13.331766|7.816410|5.144804|53.358707| |2.854747|3.674771|4.162359|5.790205|7.553253|5.484013|4.042471|18.950566|36.858105| |2.434685|3.014774|3.348399|4.383080|5.353571|4.264979|3.294216|11.943983|14.897446|53.358707| |2.436926|3.015642|3.313949|4.306346|5.350275|4.339829|3.329482|11.896069|8.878060|18.958253|53.358707| |2.865860|3.686895|4.072378|5.548070|7.592108|5.772088|4.159781|18.968918|8.866560|12.158444|20.247192|36.858105| |2.905200|3.640692|3.867363|4.794246|5.942084|5.243076|4.095160|9.439649|4.945538|6.727564|9.523745|10.840520|388.023441| |2.272661|2.698109|2.851166|3.382285|3.903635|3.551869|2.952334|6.382420|3.978489|6.055429|8.890248|6.975590|73.966900|36.858105| |2.138054|2.463114|2.552524|2.889580|3.211143|3.047877|2.661544|4.847554|3.064531|4.483224|5.864600|4.651913|49.656466|12.621709|36.858105| |2.059439|2.333384|2.451820|2.730759|2.899866|2.715454|2.443007|4.254355|2.724889|3.931095|4.921955|3.881160|38.608413|7.563741|13.707583|36.858105| |1.905471|2.106265|2.177860|2.355115|2.467868|2.368993|2.190759|3.520820|2.288824|3.257833|3.915474|3.065712|28.854639|5.019669|7.902971|13.756415|36.858105| |1.830704|2.005254|2.029076|2.168710|2.306466|2.275270|2.117015|3.267640|2.134432|3.027593|3.598493|2.810111|26.078360|4.433487|6.833982|7.936843|13.749579|36.858105| |1.885105|2.085427|2.084492|2.244862|2.453019|2.459560|2.254079|3.512391|2.284775|3.256765|3.918626|3.062881|28.799928|5.019674|7.902876|6.886760|7.950541|13.750551|36.858105| |2.033855|2.305220|2.321008|2.563119|2.875950|2.854259|2.531689|4.239627|2.718127|3.929297|4.928335|3.875543|38.479567|7.564212|13.708691|7.960781|6.886911|7.936951|13.755404|36.858105| |2.855081|3.597647|4.051459|5.253619|6.075896|4.830327|3.844407|10.154555|12.644233|10.505116|7.187253|5.265406|25.780428|3.027712|2.471698|2.251842|1.947027|1.833150|1.944799|2.248437|36.858105| |3.196238|4.088850|4.831984|6.344479|6.566517|5.017105|4.160040|9.390658|8.958032|7.985589|6.135862|4.771207|24.766029|2.844537|2.369314|2.196744|1.911212|1.790404|1.879110|2.148479|17.627625|0.500000| |2.831500|3.496059|3.642767|4.338203|5.236019|4.858912|3.927988|7.879297|7.588220|7.687523|5.875385|4.374481|23.058030|2.733384|2.284485|2.058988|1.809564|1.737174|1.865194|2.142001|12.421877|0.247196|36.858105| |2.385102|2.870891|3.228070|3.981745|4.278770|3.550920|2.984047|7.074525|8.017162|9.507391|6.384473|4.277228|21.916551|2.750434|2.266801|2.092445|1.819268|1.707617|1.797309|2.059298|13.169495|0.257375|7.703007|53.358707| |2.257725|2.640664|2.963723|3.478220|3.533601|3.028791|2.669643|5.371577|5.239582|6.383157|4.820864|3.331253|18.282611|2.319801|1.968632|1.848275|1.632016|1.534949|1.600834|1.803421|7.794784|0.204092|5.938973|19.106491|36.858105| |2.419283|2.805154|3.146231|3.576947|3.524306|3.070643|2.783686|5.030448|4.585436|5.337768|4.239436|3.054555|17.274582|2.151202|1.853865|1.750659|1.558947|1.470709|1.529451|1.709265|6.894707|0.210878|5.781942|11.544922|15.823972|73.516695| |1.950323|2.232330|2.479829|2.853384|2.886606|2.521266|2.251846|4.410493|4.132959|5.499421|4.303807|2.894204|16.328011|2.147545|1.839732|1.739998|1.545087|1.452952|1.508588|1.688438|5.228797|0.135609|4.343645|11.357584|13.897390|14.894578|53.358707| |1.788016|2.000592|2.204284|2.457934|2.438598|2.174671|1.992647|3.601349|3.190674|4.237265|3.496589|2.396457|14.047500|1.861395|1.627078|1.555447|1.398184|1.318370|1.360354|1.503932|3.878560|0.105677|3.432696|7.126723|7.677052|11.767760|18.342800|36.858105| |1.826892|2.021414|2.244820|2.457822|2.370542|2.114637|1.974127|3.399916|2.917511|3.779732|3.196778|2.244743|13.403853|1.756799|1.551712|1.497606|1.353213|1.273087|1.305118|1.433267|3.528837|0.101420|3.120690|5.998322|6.275123|11.443219|10.698427|13.999586|36.858105| |1.648812|1.790754|1.963912|2.105823|2.027408|1.840392|1.743219|2.871505|2.398530|3.139944|2.727685|1.925555|11.777094|1.558243|1.395374|1.354851|1.235999|1.166767|1.191740|1.297253|2.805181|0.080454|2.567587|4.532167|4.308580|7.972848|6.976105|7.910009|13.480125|36.858105| |1.493835|1.616048|1.750836|1.875965|1.833220|1.681919|1.589742|2.617799|2.183257|2.912638|2.547887|1.781713|10.965581|1.471157|1.322546|1.282161|1.174152|1.112972|1.138499|1.236200|2.505762|0.070166|2.341662|4.045561|3.689436|6.548436|6.157505|6.807358|7.910620|14.048176|36.858105| |1.467804|1.600520|1.725576|1.870160|1.859675|1.707984|1.595401|2.701694|2.287634|3.105886|2.690801|1.852619|11.295702|1.530065|1.367424|1.316805|1.202196|1.142105|1.174031|1.280103|2.616837|0.071300|2.461681|4.338052|3.910900|6.576332|6.966102|7.793601|6.820078|7.920115|13.428385|36.858105| |1.588921|1.758287|1.905395|2.101520|2.112404|1.920141|1.766649|3.124817|2.721921|3.716178|3.133665|2.129047|12.692618|1.714501|1.511715|1.444596|1.307465|1.239911|1.280842|1.408981|3.173791|0.084647|2.940292|5.565012|5.203547|8.163770|10.632896|13.310430|7.869235|6.808076|7.788783|13.500995|36.858105| |1.525101|1.693252|1.816337|2.014943|2.068728|1.895600|1.726899|3.112575|2.731412|3.838122|3.230964|2.155035|12.803807|1.755681|1.542674|1.462475|1.322396|1.259817|1.309225|1.444752|3.110059|0.080142|2.945715|5.450533|4.668010|7.045989|9.028487|7.596114|5.097693|4.515297|5.101933|7.829902|13.394606|36.858105| |1.378775|1.514943|1.609632|1.765274|1.813987|1.684344|1.547066|2.706562|2.318845|3.279286|2.838174|1.900887|11.526127|1.599314|1.421697|1.351388|1.231652|1.179001|1.224124|1.341486|2.569830|0.066692|2.486816|4.278380|3.508118|5.530344|6.130223|5.087789|3.933896|3.787605|4.521269|6.815400|7.865794|14.017465|36.858105| |1.296849|1.409936|1.496392|1.621071|1.645799|1.534897|1.427425|2.416976|2.031769|2.836703|2.496832|1.696315|10.450298|1.446812|1.300017|1.245494|1.142859|1.094239|1.130052|1.228998|2.244766|0.059517|2.174139|3.637514|3.016438|4.944229|5.101308|4.492674|3.778621|3.948899|5.127151|7.874653|6.780091|7.914656|13.472924|36.858105| |1.331568|1.442609|1.539730|1.659431|1.662956|1.544354|1.446153|2.416701|2.022830|2.781063|2.446860|1.680091|10.369562|1.421387|1.279527|1.232346|1.131433|1.079755|1.110486|1.205460|2.261691|0.061062|2.167906|3.658825|3.132226|5.258481|5.315067|5.090000|4.521403|5.138786|7.701213|13.413811|7.803505|6.857024|7.942498|14.032701|36.858105| |17.535106|8.861238|6.298587|4.462677|3.984271|4.439688|6.243367|4.193311|2.624462|3.111739|3.177189|2.747749|20.618904|2.280117|2.188257|2.131465|1.992794|1.915769|1.956750|2.087614|2.562278|0.078342|2.515262|2.962860|2.054026|3.858605|2.450280|1.655872|1.688354|1.533445|1.397160|1.374560|1.482296|1.428244|1.298464|1.223810|1.253813|0.500000| |17.577884|8.839167|5.633875|4.193187|3.964933|4.709955|7.111174|4.175442|2.681157|3.133818|3.119969|2.660652|19.070140|2.133938|2.014509|1.923148|1.791538|1.743119|1.810148|1.946219|2.714370|0.082999|2.786840|3.096779|2.161363|4.126214|2.549117|1.723681|1.753721|1.590781|1.449903|1.428621|1.543313|1.487986|1.350941|1.271321|1.301924|0.302011|0.500000| |17.576134|8.840176|7.078226|4.700047|3.965510|4.201341|5.652143|4.176320|2.709588|3.153975|3.113372|2.640703|18.664015|2.099983|1.972633|1.919854|1.780016|1.700071|1.736172|1.865261|2.773693|0.087740|2.716762|3.206510|2.274542|4.395810|2.678595|1.822922|1.888047|1.710846|1.539072|1.497995|1.612234|1.532239|1.383790|1.308995|1.353481|0.302018|0.301608|0.500000| |6.999901|8.907643|17.713546|8.958841|5.662084|4.961054|5.659821|5.686026|3.571575|4.038336|3.980047|3.465121|23.704461|2.571395|2.340397|2.296864|2.063613|1.911910|1.936322|2.125284|3.555681|0.118217|3.171961|4.040118|2.808767|5.356873|3.247987|2.159153|2.238561|1.975897|1.750372|1.705240|1.863724|1.758008|1.562289|1.465108|1.518862|0.169526|0.142866|0.211751|0.500000| |4.086683|5.620900|8.902983|17.725652|8.931488|5.651660|4.962413|9.791778|5.875543|6.228793|6.024737|5.432607|32.320783|3.373217|2.857495|2.751386|2.354914|2.134746|2.182209|2.486622|5.313119|0.181285|4.081457|5.784795|3.733645|6.723518|4.192512|2.639649|2.656160|2.253599|1.990217|1.976579|2.227944|2.116577|1.841891|1.692088|1.740597|0.104133|0.096564|0.111399|0.215650|0.500000| |4.085158|5.620623|4.962213|5.652004|8.934818|17.728899|8.899657|9.784722|5.345320|5.917393|6.111992|5.818909|37.553528|3.687032|3.144109|2.721664|2.377934|2.323571|2.569343|3.019801|4.608367|0.124496|4.950927|4.695232|2.907257|5.148767|3.336758|2.109305|2.022198|1.766888|1.632640|1.674722|1.887576|1.890779|1.689100|1.530572|1.526206|0.103438|0.111727|0.096799|0.107677|0.124379|0.500000| |6.995814|8.909872|5.659686|4.961487|5.662424|8.956999|17.713644|5.683977|3.438342|3.947778|4.006108|3.562170|25.611359|2.707112|2.495368|2.283909|2.083237|2.048424|2.196613|2.435688|3.312929|0.097070|3.523311|3.603866|2.397537|4.442502|2.793931|1.836040|1.815739|1.620752|1.490165|1.497944|1.648195|1.620041|1.464080|1.354933|1.368434|0.167038|0.213852|0.143533|0.124195|0.107680|0.215571|0.500000| |2.172177|2.569038|2.784647|3.342236|3.724666|3.263474|2.740545|6.213533|4.041277|6.365139|9.368264|6.666124|56.512053|17.650539|8.836903|7.099859|4.710073|3.967656|4.205454|5.653445|3.071723|0.080306|2.692293|3.899027|2.416012|3.939702|3.077169|1.953909|1.841091|1.628351|1.535917|1.598714|1.795561|1.835697|1.666970|1.506479|1.481544|0.060297|0.056307|0.056544|0.070842|0.096038|0.091813|0.069181|0.500000| |2.153885|2.546515|2.649094|3.126008|3.696526|3.448528|2.837662|6.194008|4.030196|6.362066|9.404598|6.663949|56.497931|17.652478|8.838001|5.647953|4.203377|3.967933|4.713747|7.112299|3.068449|0.078185|2.832692|3.817047|2.344522|3.833713|2.966341|1.880138|1.754826|1.555911|1.478508|1.550873|1.745796|1.809814|1.652940|1.484854|1.447322|0.059454|0.056946|0.055301|0.066136|0.085755|0.103040|0.073268|0.303019|0.500000| |2.087234|2.375707|2.556210|2.879753|2.987433|2.715671|2.441985|4.409527|2.838710|4.101853|5.115365|4.008165|38.080253|7.020067|8.914172|17.703690|8.926193|5.647177|4.958073|5.653965|2.339889|0.063855|2.096934|2.981520|1.937429|3.253773|2.487261|1.631847|1.576108|1.422146|1.340533|1.372966|1.507336|1.517717|1.396651|1.288336|1.279473|0.059820|0.053621|0.054549|0.067167|0.082525|0.074207|0.062553|0.212996|0.143436|0.500000| |1.826230|1.995262|2.076580|2.222476|2.280482|2.176817|2.041136|3.219611|2.114413|2.991955|3.521500|2.740661|24.776287|4.095346|5.633413|8.926796|17.715810|8.910381|5.649125|4.959110|1.823888|0.050122|1.688941|2.337555|1.556122|2.651748|2.014726|1.348992|1.312903|1.204735|1.144169|1.166757|1.262350|1.271147|1.186445|1.106487|1.098829|0.053275|0.047541|0.047788|0.055411|0.062305|0.060008|0.053877|0.111822|0.096877|0.215700|0.500000| |1.713285|1.848676|1.860416|1.961322|2.064633|2.051170|1.937852|2.891964|1.908403|2.690263|3.131434|2.431592|21.779701|3.546076|4.931613|5.644145|8.908943|17.716039|8.909226|5.644135|1.665008|0.045356|1.587545|2.121489|1.414066|2.419422|1.828836|1.228099|1.189908|1.096793|1.048498|1.073652|1.159333|1.176514|1.106021|1.031146|1.018287|0.050003|0.045506|0.044371|0.049087|0.053622|0.058026|0.052508|0.090350|0.090355|0.124171|0.214668|0.500000| |1.794639|1.964010|1.937961|2.063985|2.259728|2.305611|2.134485|3.208167|2.108748|2.990497|3.525602|2.737072|24.714722|4.095381|5.633383|4.959020|5.649066|8.910644|17.715660|8.926324|1.820636|0.048806|1.771549|2.293291|1.508859|2.571448|1.938699|1.290090|1.237424|1.134379|1.087234|1.122000|1.220552|1.250534|1.174548|1.086038|1.065316|0.051714|0.048351|0.045878|0.050048|0.055382|0.067542|0.058614|0.096939|0.111932|0.107608|0.124116|0.214671|0.500000| |2.040457|2.323485|2.310155|2.557837|2.941256|2.978836|2.606648|4.380302|2.825074|4.098149|5.128035|3.997014|37.858302|7.020532|8.914493|5.653904|4.958142|5.647285|8.926001|17.703561|2.333050|0.061201|2.261585|2.891348|1.848489|3.108828|2.348382|1.530679|1.450296|1.310264|1.251465|1.301650|1.437687|1.483023|1.377380|1.256401|1.227448|0.057636|0.054789|0.051759|0.058208|0.068166|0.090114|0.070329|0.143651|0.213744|0.124212|0.107610|0.124172|0.215696|0.500000| |2.710157|3.237548|3.359449|3.819830|4.290109|4.062739|3.515204|6.094294|5.541262|6.041667|4.784041|3.539733|19.625219|2.373170|2.026457|1.852517|1.647517|1.584303|1.688083|1.910708|8.872320|0.215215|17.603907|9.559985|6.411064|12.188020|6.258646|3.728137|3.414524|2.798219|2.535270|2.651317|3.165010|3.113921|2.610981|2.295959|2.311527|0.066469|0.074772|0.073633|0.083491|0.101290|0.112512|0.089201|0.065366|0.067864|0.052509|0.043051|0.040533|0.044757|0.055696|0.500000| |3.239367|4.106415|4.099059|4.791041|6.129772|6.212507|4.873931|8.365790|6.845065|6.836619|5.671547|4.501996|24.499693|2.798288|2.359425|2.114999|1.864313|1.800071|1.942628|2.231359|8.760374|0.212959|17.564675|7.603438|4.582226|8.299365|4.799840|2.911143|2.724567|2.296246|2.097395|2.175290|2.531817|2.523913|2.179968|1.937722|1.937708|0.078760|0.089583|0.084495|0.095928|0.117844|0.178748|0.120942|0.075005|0.080100|0.059354|0.048158|0.045674|0.051382|0.065727|0.301092|0.500000| |2.508766|3.032765|3.114310|3.669512|4.471783|4.266694|3.449392|7.121807|6.918131|8.003472|6.073136|4.293871|22.642560|2.780074|2.310863|2.057801|1.808485|1.748201|1.894358|2.186924|8.807900|0.173974|17.566054|9.458500|5.269010|8.549571|5.677912|3.294771|2.912617|2.428946|2.265413|2.431230|2.921949|3.038366|2.586502|2.224668|2.175784|0.063052|0.069086|0.066469|0.076165|0.097082|0.127504|0.088291|0.075747|0.082070|0.057767|0.046653|0.044329|0.050190|0.064925|0.299733|0.300154|0.500000| |2.196487|2.623285|2.922478|3.597695|3.932767|3.295056|2.752203|6.813839|7.770607|11.291513|7.128931|4.430380|22.396455|2.914227|2.369528|2.174312|1.878608|1.760643|1.858283|2.143040|9.100123|0.184075|6.257623|26.056620|9.231987|10.787572|10.512591|4.911090|4.002814|3.109381|2.854970|3.135581|4.054030|4.177514|3.288603|2.737588|2.695183|0.056447|0.058281|0.059863|0.074825|0.107031|0.090804|0.068496|0.085420|0.083655|0.063273|0.049106|0.044492|0.048277|0.061530|0.153634|0.133162|0.176911|0.500000| |1.863152|2.137098|2.367993|2.750883|2.823551|2.460365|2.174570|4.437817|4.204145|5.940395|4.607822|2.999249|16.793561|2.256095|1.917877|1.808854|1.598730|1.500524|1.560010|1.753418|4.951259|0.123402|4.083763|10.797254|9.382686|10.826324|26.090500|9.260486|5.965567|4.337445|4.042061|4.740074|7.135813|7.045141|4.764973|3.808879|3.807826|0.048172|0.049656|0.051827|0.063009|0.082723|0.067131|0.055174|0.066606|0.064017|0.052848|0.042462|0.038446|0.040826|0.049792|0.114723|0.092860|0.113392|0.244534|0.500000| |2.006898|2.232344|2.519939|2.761570|2.606855|2.295137|2.150603|3.687209|3.145150|3.968512|3.354665|2.392046|14.238867|1.836401|1.618742|1.565964|1.410921|1.322360|1.352958|1.487923|3.867420|0.116066|3.322431|6.402415|6.791361|13.659159|9.787807|9.039964|17.791906|8.835272|5.653502|4.930290|5.614151|4.132281|3.284145|3.128191|3.605244|0.051216|0.053093|0.058061|0.070362|0.083890|0.060108|0.054408|0.053445|0.050551|0.045946|0.038047|0.034277|0.035529|0.041703|0.100849|0.081148|0.083723|0.114270|0.151915|0.500000| |1.651183|1.775223|1.949298|2.061104|1.957892|1.783117|1.709165|2.730649|2.240109|2.907375|2.560078|1.829095|11.326160|1.491407|1.344917|1.313032|1.202781|1.134717|1.154549|1.251071|2.596069|0.075822|2.383304|4.054661|3.744387|7.169033|5.674132|5.655959|8.866015|17.718738|9.010808|5.625773|4.918616|3.598480|3.132464|3.293109|4.155419|0.042685|0.044175|0.047995|0.055108|0.061273|0.047253|0.044181|0.043212|0.041137|0.038320|0.032679|0.029705|0.030537|0.034988|0.071957|0.060194|0.062086|0.076845|0.099970|0.214785|0.500000| |1.397845|1.497961|1.613576|1.711728|1.669365|1.543640|1.470317|2.366312|1.945609|2.599678|2.306356|1.620846|10.105563|1.360659|1.233067|1.199826|1.105026|1.049520|1.071030|1.156721|2.200846|0.061813|2.078837|3.466395|3.061564|5.491706|4.904881|4.917362|5.620210|8.991140|17.711132|8.833829|5.580090|4.153271|3.943396|4.711316|7.079127|0.036454|0.037772|0.040077|0.045004|0.050227|0.041662|0.038483|0.039380|0.037942|0.034792|0.029995|0.027561|0.028475|0.032482|0.062223|0.052410|0.056019|0.068306|0.091728|0.124078|0.215947|0.500000| |1.600888|1.796247|1.926243|2.164647|2.257232|2.060013|1.850686|3.461877|3.111256|4.444963|3.655872|2.398629|13.991544|1.920843|1.668432|1.567867|1.408364|1.342150|1.402752|1.560159|3.546310|0.088542|3.353448|6.436134|5.275059|7.530344|10.174491|6.931972|4.648745|3.917240|4.137783|5.590755|8.797215|17.747907|9.060808|5.642117|4.946915|0.041590|0.043380|0.044382|0.051272|0.063008|0.057476|0.048095|0.055775|0.055433|0.045121|0.037406|0.034665|0.037165|0.044700|0.097064|0.078229|0.098329|0.142435|0.242934|0.110318|0.089379|0.095667|0.500000| |1.334362|1.466475|1.548287|1.699296|1.763697|1.648363|1.508931|2.646597|2.259456|3.238794|2.825270|1.879144|11.434015|1.602603|1.425973|1.349697|1.231540|1.183525|1.233242|1.351945|2.460162|0.063139|2.411165|4.031258|3.178086|4.997459|5.329185|4.125830|3.282909|3.132606|3.602233|4.922122|5.608068|9.018020|17.716186|8.826934|5.659542|0.035009|0.036414|0.037005|0.041549|0.048975|0.046298|0.039834|0.046286|0.046353|0.038581|0.032876|0.030845|0.032951|0.038702|0.069472|0.059000|0.070906|0.087539|0.117815|0.078826|0.074114|0.089874|0.218764|0.500000| |1.210963|1.309604|1.382217|1.489415|1.514622|1.422375|1.327775|2.216704|1.842818|2.581055|2.301654|1.567234|9.758013|1.359334|1.229584|1.179573|1.087584|1.044588|1.078282|1.167755|2.009316|0.053328|1.962940|3.190416|2.588595|4.285342|4.229224|3.583920|3.127080|3.294927|4.152711|5.607638|4.903678|5.647289|8.822026|17.717382|9.002807|0.031856|0.033055|0.033906|0.037614|0.043010|0.039524|0.035179|0.039228|0.038807|0.033800|0.029282|0.027421|0.028867|0.033166|0.057246|0.049119|0.056031|0.066890|0.088222|0.074038|0.079058|0.111764|0.124431|0.213521|0.500000| 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