Version2.1 2020-12-15T15:19:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCN(C)S(=O)(=O)c1ccc2c(c1)nc(n2C3CCCC3)SCC(=O)c4ccccc4 C23451498 RHF 6-31G(d) (6D,7F) CCCCN(C)S(=O)(=O)c1ccc2c(c1)nc(n2C3CCCC3)SCC(=O)c4ccccc4 C01[X(C25H31N3O3S2)] 186 C1 565 CCCCN(S(=O)(=O)c1ccc2c(c1)nc(n2C1CCCC1)SCC(=O)c1ccccc1)C CCCCN(S(=O)(=O)c1ccc2c(c1)nc(n2C1CCCC1)SCC(=O)c1ccccc1)C CCCCN(C)[S](=O)(=O)c1ccc2n(C3CCCC3)c(SCC(=O)c4ccccc4)nc2c1 InChIKey=DRJZELPEHHBCJU-UHFFFAOYSA-N InChI=1S/C25H31N3O3S2/c1-3-4-16-27(2)33(30,31)21-14-15-23-22(17-21)26-25(28(23)20-12-8-9-13-20)32-18-24(29)19-10-6-5-7-11-19/h5-7,10-11,14-15,17,20H,3-4,8-9,12-13,16,18H2,1-2H3 InChI=1/C25H31N3O3S2/c1-3-4-16-27(2)33(30,31)21-14-15-23-22(17-21)26-25(28(23)20-12-8-9-13-20)32-18-24(29)19-10-6-5-7-11-19/h5-7,10-11,14-15,17,20H,3-4,8-9,12-13,16,18H2,1-2H3 CCCCN(C)S(=O)(=O)c1ccc2c(c1)nc(n2C3CCCC3)SCC(=O)c4ccccc4 C01[X(C25H31N3O3S2)] 186 C01 565 CCCCN(S(=O)(=O)c1ccc2c(c1)nc(n2C1CCCC1)SCC(=O)c1ccccc1)C CCCCN(S(=O)(=O)[C]1[CH][CH][C]2[C]([CH]1)[N][C]([N@]2C1CCCC1)SCC(=O)[C]1[CH][CH][CH][CH][CH]1)C CCCCN(C)[S](=O)(=O)[C]1[CH][CH][C]2[C]([CH]1)[N][C](SCC(=O)[C]3[CH][CH][CH][CH][CH]3)N2C4CCCC4 InChIKey=DRJZELPEHHBCJU-UHFFFAOYSA-N InChI=1S/C25H31N3O3S2/c1-3-4-16-27(2)33(30,31)21-14-15-23-22(17-21)26-25(28(23)20-12-8-9-13-20)32-18-24(29)19-10-6-5-7-11-19/h5-7,10-11,14-15,17,20H,3-4,8-9,12-13,16,18H2,1-2H3 InChI=1/C25H31N3O3S2/c1-3-4-16-27(2)33(30,31)21-14-15-23-22(17-21)26-25(28(23)20-12-8-9-13-20)32-18-24(29)19-10-6-5-7-11-19/h5-7,10-11,14-15,17,20H,3-4,8-9,12-13,16,18H2,1-2H3 3652.4049016612 -2147.6561499 1-A 25238.7458 129 436 565 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.19246 -91.97082 -20.57034 -20.53775 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1.00783 1.00783 1.00783 1.00783 15944.3344 30566.2991 44100.2894 0.99929 -0.03668 0.00813 0.03669 0.99933 -0.00094 -0.00809 0.00124 0.99997 1 0.00543 0.00283 0.00196 0.11319 0.05904 0.04092 12.80 22.17 24.93 39.08 41.82 49.09 58.39 65.12 82.44 88.72 114.30 135.21 153.41 155.83 171.29 185.17 208.18 223.93 249.64 257.36 260.12 298.84 306.28 355.73 373.42 376.15 387.79 405.50 433.06 442.64 498.05 501.82 535.39 548.87 577.61 601.26 649.82 651.05 671.74 676.61 704.84 706.40 729.62 752.34 800.25 855.85 876.55 913.66 935.03 961.99 972.34 1002.24 1005.76 1012.75 1099.99 1100.89 1118.33 1137.69 1155.65 1197.71 1204.67 1207.10 1222.10 1240.62 1282.02 1302.79 1319.25 1333.23 1340.19 1382.11 1384.39 1405.41 1410.01 1449.51 1456.91 1461.69 1469.21 1472.53 1509.44 1513.83 1550.50 1566.62 1569.82 1578.58 1593.92 1599.40 1606.44 1618.29 1630.71 1639.33 1639.50 1690.74 1710.87 1730.49 1733.15 1766.33 1771.60 1775.56 1796.87 1805.80 1807.94 1859.82 1862.40 1876.80 1892.72 1901.79 1910.91 1925.47 1945.02 1948.78 1952.54 1967.62 1992.85 2020.01 2021.57 2047.45 2067.49 2073.06 2089.63 2092.38 2106.90 2113.72 2126.26 2139.00 2142.42 2143.24 2144.94 2166.22 2201.60 2254.37 2264.73 2277.90 2297.47 2300.22 2322.51 2323.28 2353.09 2358.16 2359.19 2360.58 2365.69 2365.80 2371.15 2373.60 2374.66 2379.37 2388.78 2402.42 2404.51 2407.23 2556.38 2564.35 2597.34 2599.02 2852.86 4588.20 4599.58 4603.39 4604.55 4610.84 4625.28 4637.06 4641.51 4655.80 4661.05 4667.07 4694.13 4697.41 4698.84 4707.43 4711.88 4722.68 4746.01 4749.47 4764.33 4783.81 4788.11 4806.25 4839.48 4857.54 4872.52 4882.61 4887.28 4912.57 4913.36 4924.18 0.569300 0.599881 0.600825 0.500797 -2147.086850 -2147.056269 -2147.055325 -2147.155353 3.354956D-04 MUNgauss RevisionA2.0 retrievium 15-Dec-2020 DUDE CCCCN(C)S(=O)(=O)c1ccc2c(c1)nc(n2C3CCCC3)SCC(=O)c4ccccc4 C23451498 RHF 6-31G(d) (6D,10F) C1 485.180686 |X|Y|Z| 91.574553 126.461789 29.330187 69.772291 23 6 7 16 20 2 1 |36.858105| |12.465808|36.858105| |7.480370|12.450415|36.858105| |4.880652|7.515093|12.479875|36.858105| |3.791204|4.961528|7.686867|12.937103|53.358707| |3.383362|4.179458|5.905351|7.719084|17.766777|36.858105| |2.999858|3.737935|4.924430|7.139966|15.685712|7.264839|388.023441| |2.598402|3.194300|3.929137|5.532023|10.207159|6.496511|94.352618|73.516695| |3.109470|3.895362|4.868115|6.683822|10.470952|5.021164|94.560303|13.687984|73.516695| |2.628777|3.058704|3.957514|4.762461|9.679674|5.919370|76.647016|13.076788|12.966698|36.858105| |2.241693|2.556796|3.166657|3.729080|7.006337|5.015253|49.519437|11.746268|9.038268|13.632586|36.858105| |2.023297|2.240723|2.713455|3.028524|5.333203|3.918147|33.619464|7.950309|6.902611|7.890031|13.800868|36.858105| |2.071790|2.251899|2.728809|2.926319|5.025744|3.573321|30.109010|6.634637|6.590818|6.971989|8.052843|13.711248|36.858105| |2.363689|2.570241|3.183404|3.348767|5.772580|3.853719|33.924249|6.841573|7.720524|8.062631|6.903735|7.826543|13.647151|36.858105| |2.728640|3.075085|3.978764|4.359585|8.024449|4.848819|49.825444|8.784812|11.043346|13.770309|7.832127|6.716752|7.885521|13.775844|36.858105| |2.260604|2.381384|2.867065|2.882075|4.670408|3.154371|25.977769|5.397014|6.252512|5.158309|4.622677|5.308474|8.391113|13.812612|7.627652|53.358707| |1.979479|2.072386|2.444175|2.475101|3.972340|2.786814|22.183278|4.841069|5.257913|4.297769|4.254222|5.343234|8.701994|8.999264|5.486385|20.176756|36.858105| |1.881599|1.999327|2.363497|2.461391|4.036494|2.905031|23.166845|5.222605|5.294745|4.664999|5.132411|7.510626|13.796085|8.613736|5.395862|11.606298|13.859705|53.358707| |1.658188|1.753140|2.032352|2.121112|3.410892|2.516721|19.440694|4.579479|4.445033|3.654457|4.216685|6.031616|7.561100|5.244337|3.899796|7.097533|7.400632|17.712884|36.858105| |1.506583|1.584200|1.802399|1.876035|2.940588|2.134019|16.896163|4.011586|3.989121|3.028345|3.385639|4.424204|5.201182|4.117748|3.231447|5.853064|5.815209|10.144510|12.259710|36.858105| |1.386327|1.442380|1.623488|1.670490|2.580899|1.900262|14.456577|3.463759|3.414518|2.500203|2.756060|3.435358|3.874016|3.241152|2.646538|4.686863|4.460132|7.020743|7.729911|12.343836|36.858105| |1.413161|1.470290|1.663855|1.710337|2.663088|2.005359|14.678389|3.543274|3.396332|2.543116|2.849110|3.582217|3.931569|3.221016|2.650710|4.533462|4.235686|6.938072|7.948760|7.795979|12.403373|36.858105| |1.591850|1.660950|1.911762|1.960606|3.110589|2.350601|17.037806|4.038951|3.884780|3.065906|3.440609|4.515862|5.285621|4.153108|3.260168|5.855355|5.781294|10.219454|12.386806|7.704494|7.921642|12.450305|36.858105| |1.768839|1.810747|2.073908|2.057942|3.177056|2.251874|17.316466|3.869565|4.198837|3.082420|3.061515|3.648745|4.898419|4.967935|3.706927|9.618827|10.813061|9.427275|5.816692|5.561971|4.871076|4.363277|5.432906|388.023441| |1.922344|1.934618|2.198336|2.124551|3.201126|2.215220|17.096378|3.736305|4.273308|2.931240|2.755718|3.075504|3.964415|4.534712|3.644858|9.182352|7.058072|6.423312|3.870090|3.722440|3.347033|3.090603|3.655343|74.738833|36.858105| |1.735204|1.722778|1.914090|1.838685|2.714192|1.896870|14.376009|3.201347|3.612288|2.376406|2.264764|2.495065|3.049125|3.333369|2.828015|5.974974|4.666481|4.852965|3.175498|3.194300|3.051430|2.798398|3.133383|49.718175|12.551796|36.858105| |1.580200|1.573528|1.740350|1.686172|2.493228|1.764872|13.258974|2.998996|3.301701|2.187800|2.131235|2.376371|2.861228|2.998173|2.539623|5.163493|4.258069|4.656105|3.207582|3.328195|3.327213|3.005818|3.259621|48.062865|8.058436|15.948642|73.516695| |1.763140|1.724181|1.885440|1.784900|2.580592|1.789047|13.511347|3.001788|3.447480|2.166891|2.032839|2.178340|2.588081|2.879283|2.560009|4.936961|3.607603|3.921230|2.573620|2.575056|2.464116|2.295983|2.533467|32.707678|7.379275|12.726208|14.404065|36.858105| |1.592008|1.548874|1.670485|1.584087|2.269859|1.587162|11.863092|2.672386|3.022660|1.872427|1.777137|1.897577|2.202258|2.389452|2.157633|3.928789|2.921953|3.320250|2.251245|2.287260|2.247547|2.096959|2.252057|26.087115|4.954353|7.692541|12.190037|13.675090|36.858105| |1.572163|1.514216|1.610565|1.516530|2.142805|1.493946|11.128562|2.511522|2.857550|1.722688|1.625395|1.709952|1.951990|2.125812|1.966686|3.405001|2.478113|2.876222|1.953133|1.974175|1.934892|1.822658|1.947386|20.907274|3.818961|5.070162|8.142892|7.914619|13.791048|36.858105| |1.710636|1.632805|1.725634|1.607956|2.248677|1.552194|11.605788|2.597874|3.011353|1.776339|1.652214|1.715171|1.952402|2.165197|2.039375|3.447394|2.434892|2.821025|1.885593|1.882074|1.814708|1.721013|1.858599|19.692744|3.670321|4.457300|6.805905|6.857791|7.946254|13.727423|36.858105| |1.927965|1.841463|1.964587|1.817985|2.547435|1.737958|13.122993|2.894906|3.427827|2.019482|1.849616|1.911852|2.203312|2.505982|2.365793|4.062557|2.786330|3.158074|2.060547|2.030411|1.920924|1.824018|2.005120|22.080102|4.381333|5.014071|7.117265|7.911975|6.871661|7.929210|13.758945|36.858105| |1.965127|1.905132|2.076883|1.938393|2.770085|1.890418|14.381808|3.150401|3.725470|2.274476|2.084050|2.186826|2.585722|2.975296|2.723690|5.059650|3.471810|3.779334|2.421696|2.377228|2.226758|2.099954|2.343906|28.506188|6.429346|7.512828|9.378860|13.694712|7.927579|6.870632|7.944300|13.753286|36.858105| |17.539807|8.776974|6.780678|4.512982|4.995507|3.207655|21.186652|4.499923|5.600602|2.679383|2.263160|2.062278|2.147899|2.491332|2.864884|3.296980|2.097331|2.671038|1.714880|1.562529|1.434570|1.453913|1.642300|13.380775|2.085036|1.878656|3.011539|1.928075|1.729401|1.713712|1.885581|2.151494|2.183006|0.500000| |17.552068|8.776920|5.458228|4.053291|4.364301|2.904660|18.782356|4.165054|4.913090|2.318208|2.010008|1.825550|1.861328|2.096564|2.386714|2.745401|1.787475|2.320315|1.518118|1.392136|1.287343|1.308614|1.460195|11.496486|1.753960|1.602469|2.607832|1.637799|1.493571|1.485997|1.618160|1.806095|1.819873|0.301684|0.500000| |17.535859|8.772728|6.777217|4.502070|4.997873|3.446250|20.320153|4.454306|5.087090|2.560684|2.212429|2.012205|2.059836|2.329844|2.652199|3.041013|1.972018|2.558417|1.663827|1.502206|1.391127|1.429790|1.614839|12.577381|1.910451|1.728990|2.810219|1.749971|1.584122|1.560406|1.687946|1.892463|1.935455|0.301643|0.301684|0.500000| |8.864082|17.509290|8.847056|6.892206|6.291534|4.136173|24.965863|5.584513|6.308357|2.843219|2.436112|2.130356|2.106759|2.352054|2.778974|2.948900|1.915677|2.549576|1.663295|1.504009|1.376234|1.409685|1.583267|11.951409|1.770105|1.586918|2.600017|1.580987|1.431438|1.399068|1.497537|1.670714|1.726915|0.173008|0.212962|0.210717|0.500000| |8.863429|17.516072|8.854271|6.929922|6.286885|3.743915|26.613908|5.674255|7.368038|3.007245|2.503929|2.189723|2.200689|2.517413|3.024810|3.178926|2.029200|2.660326|1.714032|1.564187|1.418025|1.432717|1.609059|12.629952|1.905329|1.699495|2.755959|1.707734|1.535200|1.505621|1.629440|1.839647|1.894657|0.210828|0.212901|0.172963|0.303919|0.500000| |6.849602|8.828578|17.538268|8.923682|9.585121|5.207706|35.113150|6.685966|9.114247|4.212682|3.271586|2.841375|2.942908|3.565849|4.526474|4.431228|2.700772|3.474550|2.155577|1.912620|1.711855|1.741427|2.014546|16.193093|2.466002|2.120873|3.383842|2.097832|1.835522|1.766370|1.907721|2.206092|2.346034|0.203126|0.140098|0.168621|0.173383|0.211255|0.500000| |6.881204|8.863506|17.524516|8.818208|9.564292|6.433931|31.487333|6.526603|7.290060|3.785507|3.118476|2.710720|2.724830|3.132279|3.799652|3.859838|2.446421|3.234156|2.054944|1.803911|1.638415|1.699077|1.962715|14.820588|2.190643|1.912468|3.105511|1.874657|1.665103|1.600663|1.704936|1.930796|2.047605|0.169268|0.140571|0.204130|0.211784|0.173786|0.303620|0.500000| |4.535272|6.888710|8.802246|17.512709|12.357349|7.414852|41.868776|9.426890|9.453528|4.057443|3.384832|2.771811|2.626501|2.903359|3.620163|3.431899|2.218592|3.042757|1.966372|1.746489|1.569406|1.615714|1.834336|13.306121|1.910492|1.674705|2.756147|1.626060|1.457919|1.399812|1.477197|1.651883|1.750175|0.111347|0.108787|0.119201|0.207617|0.172981|0.173786|0.208615|0.500000| |4.549283|6.867468|8.903822|17.676071|12.438452|5.708632|51.470221|9.816986|14.838243|4.620984|3.594180|2.924503|2.837626|3.265068|4.270435|3.847411|2.420358|3.260271|2.064310|1.852482|1.640498|1.659322|1.886375|14.367612|2.100375|1.821407|2.963161|1.777002|1.577611|1.515242|1.612782|1.826501|1.939370|0.120453|0.108779|0.111453|0.169908|0.207783|0.215859|0.173954|0.302883|0.500000| |3.107566|3.860890|4.996324|6.767665|12.234505|17.556232|45.492170|12.172649|8.125336|4.944708|4.506349|3.539257|3.144446|3.278944|3.984572|3.712456|2.464375|3.537734|2.310848|1.986616|1.781010|1.879523|2.164106|14.423501|1.982059|1.720853|2.870168|1.627894|1.458417|1.378454|1.428397|1.585242|1.710905|0.080429|0.076032|0.087562|0.111164|0.097634|0.119460|0.146894|0.211207|0.146719|0.500000| |2.942504|3.466758|4.680732|5.618979|12.370277|17.623870|48.888311|11.190459|8.276334|6.902097|6.232005|4.799174|4.242025|4.425776|5.425421|4.767020|3.128791|4.561085|2.883808|2.380436|2.104715|2.248783|2.684580|17.549846|2.368374|2.006348|3.333185|1.862923|1.646164|1.534599|1.581404|1.768954|1.947018|0.079315|0.071000|0.083648|0.093990|0.088009|0.123160|0.140974|0.146252|0.127318|0.300123|0.500000| |3.776494|4.562188|6.570404|7.188627|12.516284|17.625916|38.295871|8.487957|7.451051|4.731590|4.076083|3.403203|3.229392|3.521661|4.261120|4.088115|2.658628|3.695509|2.365540|2.013660|1.818910|1.928494|2.259042|15.602248|2.188301|1.888966|3.118931|1.795647|1.596858|1.509337|1.573002|1.760533|1.904560|0.097890|0.088369|0.110956|0.126114|0.107945|0.154900|0.230183|0.195284|0.143799|0.299416|0.303032|0.500000| |2.148243|2.472559|3.009212|3.637755|6.683295|5.004536|47.626707|13.895228|8.513400|8.924708|17.767446|8.935066|5.689293|4.972579|5.622017|4.993318|3.459400|5.591483|3.626062|3.009542|2.513238|2.615165|3.055662|18.725191|2.387355|2.010704|3.394252|1.824188|1.615713|1.489294|1.513174|1.678651|1.867016|0.059433|0.053963|0.058934|0.066654|0.067374|0.083937|0.082403|0.095044|0.097446|0.133822|0.168962|0.110576|0.500000| |1.834061|2.016955|2.392684|2.657111|4.531295|3.429064|27.838591|6.994064|5.833098|5.626387|8.939994|17.750975|8.796461|5.574107|4.873056|5.845716|4.584180|8.926997|6.341773|4.658099|3.656142|3.904403|4.769139|23.964927|2.780856|2.316718|3.998127|2.020322|1.784846|1.609538|1.601488|1.763104|2.002474|0.051629|0.046392|0.050877|0.053865|0.054756|0.068653|0.066823|0.069074|0.071335|0.088978|0.114935|0.083914|0.215309|0.500000| |3.094474|3.490596|4.595562|4.829273|8.341853|4.680052|47.230655|8.028743|11.962610|8.862060|5.588227|4.873403|5.614445|8.888007|17.756869|9.207124|4.759899|5.956275|3.300113|2.837577|2.381571|2.367954|2.853588|24.607727|3.642377|2.848889|4.467353|2.651565|2.221301|2.047080|2.159392|2.544972|2.907207|0.092242|0.074196|0.082163|0.085000|0.096219|0.155137|0.117686|0.106879|0.134130|0.106308|0.135413|0.118467|0.123738|0.106216|0.500000| |1.643252|1.755442|2.038491|2.164943|3.517507|2.628865|20.388288|4.927820|4.570744|3.846931|4.747670|7.219301|7.571812|4.947017|3.873131|6.133597|5.684446|12.833250|17.659290|8.890283|6.230378|6.836788|8.971476|31.452119|3.240249|2.710788|4.831678|2.267298|2.005573|1.768340|1.721125|1.875922|2.167850|0.046819|0.041838|0.045788|0.046595|0.047678|0.059368|0.057248|0.056188|0.058437|0.067807|0.084648|0.067648|0.115515|0.243724|0.089560|0.500000| |1.457856|1.543967|1.749446|1.843913|2.886763|2.091435|16.891753|4.082079|3.992303|2.993070|3.421975|4.433082|4.826764|3.797860|3.094050|5.139738|4.729696|8.265777|8.778525|17.570426|8.714692|6.251859|5.849817|30.794579|3.173135|2.762919|5.061612|2.297648|2.062210|1.808042|1.736503|1.868077|2.153627|0.041807|0.037549|0.040234|0.040898|0.042542|0.051228|0.048382|0.047934|0.050874|0.054680|0.064594|0.054309|0.086208|0.134847|0.075267|0.234737|0.500000| |1.536586|1.610053|1.827148|1.889662|2.938587|2.094864|16.918530|3.950485|4.076479|3.020515|3.254359|4.111408|5.056720|4.283382|3.325894|6.438760|6.504596|9.842630|8.657223|17.627276|8.701578|5.757131|6.008059|47.368371|4.333712|3.666347|6.760279|2.894138|2.536533|2.163627|2.057062|2.231544|2.649420|0.044586|0.039447|0.042349|0.042185|0.044380|0.054381|0.050440|0.048511|0.052220|0.053893|0.064198|0.055064|0.079539|0.114111|0.082370|0.179708|0.304582|0.500000| |1.293709|1.346882|1.503536|1.552771|2.379166|1.750931|13.380387|3.243310|3.178314|2.267770|2.503520|3.047422|3.307786|2.811486|2.363341|3.995366|3.626778|5.614839|5.701106|8.665750|17.577273|8.674705|5.660235|27.751834|2.877889|2.688332|5.214748|2.226454|2.064786|1.798529|1.686352|1.769207|2.021577|0.037081|0.033540|0.035994|0.035839|0.036906|0.043814|0.042027|0.040758|0.042537|0.046022|0.053460|0.046496|0.064576|0.091225|0.059551|0.142300|0.222159|0.188799|0.500000| |1.381288|1.425323|1.597814|1.625688|2.489814|1.822607|13.793026|3.269105|3.291662|2.363407|2.537116|3.087288|3.568155|3.123796|2.551588|4.705931|4.497610|6.477970|6.260142|8.788287|17.555755|8.838313|6.792063|39.466341|3.711560|3.485841|7.026713|2.743044|2.512358|2.126337|1.964949|2.067167|2.417498|0.039906|0.035658|0.038518|0.037640|0.038925|0.047052|0.044799|0.042302|0.044384|0.047250|0.055635|0.048878|0.063998|0.088451|0.064826|0.137209|0.176550|0.225603|0.303031|0.500000| |1.372935|1.437107|1.623597|1.685753|2.629647|1.996546|14.595917|3.585211|3.351645|2.508247|2.875432|3.609577|3.744157|3.020898|2.544650|4.097649|3.683186|6.192596|6.912806|6.673985|8.784144|17.512764|8.816685|25.591338|2.686091|2.435029|4.580526|2.046103|1.879588|1.656654|1.576646|1.669389|1.899007|0.039004|0.035391|0.038575|0.038496|0.038922|0.046820|0.046043|0.044545|0.045423|0.052516|0.062347|0.052986|0.074760|0.114046|0.062829|0.194679|0.170878|0.136531|0.216724|0.174118|0.500000| |1.355448|1.399148|1.572413|1.601504|2.467315|1.866123|13.394993|3.233474|3.113401|2.273866|2.501087|3.039371|3.316753|2.831403|2.376621|4.040892|3.671746|5.640210|5.650161|5.604594|8.668231|17.577158|8.694383|28.284530|2.918661|2.728003|5.306144|2.252752|2.088641|1.816158|1.700869|1.784176|2.041249|0.038728|0.034964|0.038244|0.037330|0.037779|0.045620|0.044801|0.042185|0.043059|0.048697|0.057661|0.050384|0.064356|0.090428|0.059938|0.138645|0.130479|0.127896|0.196539|0.218315|0.302405|0.500000| |1.627774|1.680566|1.931322|1.948421|3.062826|2.296645|16.495993|3.845899|3.806273|2.940183|3.166997|3.993302|4.889258|4.148470|3.231096|6.264393|6.359268|9.565131|8.755021|6.485155|6.890518|8.839774|17.586133|48.204674|4.288197|3.668306|6.866895|2.877915|2.535124|2.156519|2.040539|2.204115|2.614903|0.046968|0.041414|0.045971|0.044249|0.045133|0.057014|0.055213|0.050366|0.052026|0.058233|0.072114|0.062140|0.077598|0.111335|0.080186|0.175712|0.135439|0.159141|0.138785|0.193341|0.173874|0.216204|0.500000| |1.631262|1.706913|1.975594|2.030989|3.250273|2.516461|17.552423|4.200197|3.923835|3.148431|3.592012|4.677926|5.157632|4.040552|3.266376|5.439634|4.993163|8.771082|8.718833|5.602365|5.631899|8.640528|17.567065|31.604314|3.252343|2.801431|5.096952|2.327619|2.079187|1.822734|1.755205|1.894911|2.189320|0.046436|0.041463|0.046271|0.045437|0.045596|0.057309|0.056938|0.053099|0.053685|0.064388|0.081043|0.067345|0.089576|0.139833|0.079005|0.224551|0.131425|0.127494|0.124638|0.137554|0.214644|0.197454|0.302553|0.500000| |1.970531|1.997838|2.266537|2.205600|3.308999|2.241262|18.000300|3.894269|4.601604|3.076390|2.840383|3.120698|4.011049|4.759677|3.890397|9.641330|6.701704|6.227956|3.678479|3.611154|3.137680|2.847330|3.313228|56.471141|17.627094|8.856305|11.018606|6.676181|4.576501|3.685784|3.667194|4.504906|6.545865|0.059668|0.049990|0.053747|0.050494|0.055271|0.071237|0.061752|0.054701|0.061407|0.055767|0.066023|0.060925|0.068120|0.077482|0.109988|0.087385|0.087818|0.119196|0.076302|0.094463|0.070116|0.073700|0.103265|0.082468|0.500000| |2.107690|2.103923|2.415276|2.292304|3.457925|2.396566|18.000372|3.884260|4.465277|3.079460|2.837499|3.113742|4.003582|4.769691|3.901269|9.717730|6.699269|6.203452|3.659411|3.349104|3.035046|2.922595|3.537914|56.458518|17.627914|8.860131|11.035160|6.668560|4.576123|3.684150|3.663046|4.495209|6.524421|0.063933|0.052921|0.058556|0.053118|0.057009|0.076054|0.067444|0.056885|0.062286|0.058837|0.071093|0.066574|0.068014|0.077233|0.110487|0.086800|0.080367|0.103776|0.072764|0.091411|0.071337|0.077207|0.115420|0.090432|0.303975|0.500000| |1.484196|1.451348|1.566608|1.497018|2.155359|1.519777|11.311151|2.570720|2.860452|1.792387|1.723830|1.857528|2.147244|2.282116|2.043537|3.720358|2.846602|3.282980|2.275296|2.344549|2.354473|2.183501|2.307057|26.169226|4.593919|7.217234|13.836096|8.945497|17.755983|8.905685|5.644020|4.954422|5.653629|0.044421|0.038746|0.041159|0.037493|0.039892|0.047436|0.043535|0.038476|0.041323|0.038954|0.043996|0.042381|0.043684|0.049003|0.057660|0.056074|0.058451|0.072057|0.060279|0.074248|0.054034|0.061047|0.072473|0.058735|0.115160|0.115227|0.500000| |1.454904|1.400562|1.480081|1.398105|1.969325|1.380562|10.229668|2.327837|2.620583|1.573172|1.495037|1.571479|1.774388|1.908037|1.773559|3.005567|2.207501|2.610347|1.798737|1.829200|1.814017|1.711919|1.805488|18.495926|3.207976|4.133944|7.048254|5.635736|8.934701|17.723302|8.903848|5.642073|4.951233|0.043781|0.038419|0.040185|0.036153|0.038687|0.044727|0.040932|0.036071|0.038794|0.035587|0.039347|0.038758|0.038307|0.041391|0.050999|0.045501|0.046798|0.055268|0.047254|0.055335|0.043406|0.047703|0.055214|0.047073|0.085929|0.085915|0.214502|0.500000| |1.664574|1.578223|1.647710|1.531424|2.120716|1.464589|10.908757|2.453091|2.839797|1.647185|1.532368|1.578487|1.774686|1.958915|1.870359|3.057184|2.153480|2.537681|1.707213|1.703434|1.646511|1.568830|1.683936|17.048105|3.053182|3.561355|5.617204|4.943999|5.650907|8.908873|17.716092|8.923114|5.649611|0.050934|0.044095|0.045552|0.040302|0.043860|0.050332|0.045153|0.039257|0.042755|0.037621|0.041202|0.041319|0.039249|0.041072|0.055135|0.043683|0.044026|0.051317|0.042807|0.049164|0.040221|0.043139|0.050901|0.044468|0.085371|0.085283|0.124070|0.214770|0.500000| 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