Version2.2 2021-02-22T03:24:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 17-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCSc1nc2c(cc3c(n2)CC(OC3)(C)C)c(=O)n1c4cccc(c4)C C02314535 RHF 6-31G(d) (6D,7F) CCCCSc1nc2c(cc3c(n2)CC(OC3)(C)C)c(=O)n1c4cccc(c4)C C01[X(C23H27N3O2S1)] 162 C1 493 CCCCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1cccc(c1)C CCCCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1cccc(c1)C CCCCSC1=Nc2nc3CC(C)(C)OCc3cc2C(=O)N1c4cccc(C)c4 InChIKey=HUMGKEXSWZKBPO-UHFFFAOYSA-N InChI=1S/C23H27N3O2S/c1-5-6-10-29-22-25-20-18(12-16-14-28-23(3,4)13-19(16)24-20)21(27)26(22)17-9-7-8-15(2)11-17/h7-9,11-12H,5-6,10,13-14H2,1-4H3 InChI=1/C23H27N3O2S/c1-5-6-10-29-22-25-20-18(12-16-14-28-23(3,4)13-19(16)24-20)21(27)26(22)17-9-7-8-15(2)11-17/h7-9,11-12H,5-6,10,13-14H2,1-4H3 CCCCSc1nc2c(cc3c(n2)CC(OC3)(C)C)c(=O)n1c4cccc(c4)C C01[X(C23H27N3O2S1)] 162 C01 493 CCCCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1cccc(c1)C CCCCSC1=[N][C]2[N][C]3[C]([CH][C]2C(=O)N1[C]1[CH][CH][CH][C]([CH]1)C)COC(C3)(C)C CCCCSC1=N[C]2[N][C]3CC(C)(C)OC[C]3[CH][C]2C(=O)N1[C]4[CH][CH][CH][C](C)[CH]4 InChIKey=HUMGKEXSWZKBPO-UHFFFAOYSA-N InChI=1S/C23H27N3O2S/c1-5-6-10-29-22-25-20-18(12-16-14-28-23(3,4)13-19(16)24-20)21(27)26(22)17-9-7-8-15(2)11-17/h7-9,11-12H,5-6,10,13-14H2,1-4H3 InChI=1/C23H27N3O2S/c1-5-6-10-29-22-25-20-18(12-16-14-28-23(3,4)13-19(16)24-20)21(27)26(22)17-9-7-8-15(2)11-17/h7-9,11-12H,5-6,10,13-14H2,1-4H3 2854.8552192071 -1597.3263837 1-A 17221.9803 109 384 493 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.95709 -20.56019 -20.53753 -15.63405 -15.55691 -15.55558 -11.36947 -11.36695 -11.31565 -11.29027 -11.29008 -11.28368 -11.28233 -11.26411 -11.25504 -11.24726 -11.24212 -11.24093 -11.23971 -11.23864 -11.23820 -11.23617 -11.23053 -11.22628 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109.4967 106.7526 16.9756 19.3641 46.5606 59.4085 72.1881 142.9589 92.6016 24.7961 84.1548 31.2021 128.7155 56.9107 146.4180 0.7152 0.7493 0.7495 0.7500 0.7468 0.7468 0.7499 0.7418 0.7199 0.7306 0.7190 0.4140 0.6951 0.6904 0.4445 0.2897 0.1821 0.5395 0.7027 0.7262 0.6289 0.7497 0.3917 0.7311 0.3315 0.4067 0.6429 0.7006 0.7500 0.2531 0.6519 0.4438 0.4683 0.1207 0.7269 0.6612 0.6599 0.7415 0.2098 0.7341 0.4214 0.2216 0.2395 0.7306 0.7110 0.2911 0.2939 0.5775 0.0720 0.1927 0.7482 0.2309 0.2527 0.2276 0.5967 0.7416 0.2594 0.3816 0.2079 0.5879 0.0688 0.4437 0.6756 0.7292 0.6672 0.6963 0.7487 0.7207 0.7457 0.7358 0.1559 0.7053 0.1632 0.1431 0.1284 0.7493 0.6443 0.3889 0.4607 0.7118 0.7470 0.6169 0.1185 0.7496 0.5849 0.7108 0.7329 0.6813 0.4429 0.7488 0.3101 0.3198 0.7495 0.3927 0.6150 0.3570 0.2530 0.7070 0.6539 0.7500 0.6209 0.3708 0.7500 0.1759 0.2821 0.1995 0.3413 0.2297 0.4349 0.5131 0.7455 0.6924 0.7356 0.3571 0.5431 0.4237 0.7423 0.6192 0.7474 0.6247 0.6759 0.7479 0.7500 0.3414 0.6433 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0.5089 0.3736 0.6061 0.6782 0.8542 0.8182 0.8476 0.5263 0.7039 0.5952 0.8521 0.7648 0.8554 0.7690 0.8066 0.8558 0.8571 0.5091 0.7830 0.8360 0.8560 0.4378 0.6516 0.4466 0.4621 0.4499 0.7167 0.8043 0.3610 0.3746 0.7461 0.0586 0.0232 0.0672 0.6586 0.7265 0.8571 0.0222 0.8571 0.8549 0.8571 0.7753 0.5222 0.4489 0.5936 0.0883 0.8514 0.8382 0.8556 0.8507 0.8571 0.7390 0.4706 0.5474 0.4485 0.2375 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 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 6 6 6 6 16 6 7 6 6 6 6 6 7 6 6 8 6 6 6 6 8 7 6 6 6 6 6 6 6 1 1 1 1 1 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 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 9412.7686 21455.1012 29224.2953 0.99995 -0.00858 0.00566 0.00856 0.99996 0.00335 -0.00568 -0.00330 0.99998 1 0.00920 0.00404 0.00296 0.19173 0.08412 0.06175 14.66 33.90 36.68 45.26 60.26 77.00 81.49 90.34 92.95 158.23 184.25 197.26 206.12 215.18 256.20 275.28 300.08 323.90 340.58 352.99 369.03 379.11 404.05 421.56 438.98 454.25 472.90 494.51 525.15 559.16 579.63 599.72 627.38 664.20 690.44 712.82 727.30 743.56 765.11 793.52 809.92 873.37 887.89 910.54 1001.15 1021.30 1043.31 1076.19 1100.32 1113.78 1139.53 1160.32 1185.19 1189.52 1196.05 1232.54 1243.52 1288.94 1295.24 1306.24 1401.98 1405.84 1413.80 1448.87 1454.48 1455.54 1477.87 1496.02 1535.53 1556.16 1562.33 1569.75 1571.93 1596.97 1598.39 1621.47 1630.88 1671.07 1690.55 1695.68 1723.46 1731.91 1753.16 1770.52 1788.66 1792.17 1826.45 1850.86 1881.44 1906.68 1922.76 1929.36 1938.09 1957.31 1976.99 1982.23 1996.83 2020.79 2043.63 2054.35 2055.64 2094.49 2098.41 2126.92 2132.12 2162.27 2219.98 2232.88 2244.39 2254.95 2255.69 2262.99 2292.68 2306.10 2317.88 2334.30 2338.81 2344.37 2349.65 2352.31 2353.96 2363.50 2365.44 2365.54 2368.19 2380.28 2382.78 2397.44 2406.51 2528.01 2567.57 2582.35 2612.72 2622.78 2821.04 4589.44 4596.21 4604.43 4608.80 4612.59 4619.25 4623.27 4629.93 4633.09 4661.77 4692.13 4696.65 4698.80 4699.68 4710.33 4713.94 4718.88 4719.73 4724.18 4728.91 4736.07 4801.79 4833.84 4851.34 4860.20 4870.79 4884.61 0.498073 0.524456 0.525400 0.437488 -1596.828311 -1596.801928 -1596.800984 -1596.888895 2.948549D-04 MUNgauss RevisionA2.1 retrievium 22-Feb-2021 DUDE CCCCSc1nc2c(cc3c(n2)CC(OC3)(C)C)c(=O)n1c4cccc(c4)C C02314535 RHF 6-31G(d) (6D,10F) C1 409.182399 |X|Y|Z| 107.535453 70.834826 25.308736 57.768309 20 6 7 8 16 3 1 |36.858105| |12.466425|36.858105| |7.484284|12.443395|36.858105| |4.885103|7.529850|12.460947|36.858105| |3.613015|4.607921|6.975460|10.461355|388.023441| |2.869116|3.597562|4.600257|6.886715|76.582195|36.858105| |2.864555|3.676445|4.391803|6.769526|51.441435|15.007799|53.358707| |2.400148|2.958522|3.345999|4.573885|34.538514|8.362261|18.834719|36.858105| |2.105191|2.509566|2.855399|3.681572|30.253996|7.030924|10.754407|13.696456|36.858105| |1.847981|2.159342|2.383800|2.941640|23.088037|4.647931|7.071508|7.952309|13.691818|36.858105| |1.808099|2.113270|2.269220|2.773816|20.519328|3.911082|6.309629|6.969604|7.988952|13.877383|36.858105| |2.002480|2.385667|2.524002|3.148540|22.069777|4.188423|7.387144|8.383541|7.065211|8.034590|13.573390|36.858105| |2.316833|2.845558|3.056264|4.019976|27.482181|5.509157|11.264955|14.365766|8.014441|6.883268|7.943578|14.491122|53.358707| |1.895638|2.229994|2.280468|2.747771|18.507989|3.252432|5.512952|5.238896|4.531212|5.070898|7.575484|12.628782|10.775515|36.858105| |1.653504|1.902247|1.944395|2.279691|15.720051|2.699134|4.329969|3.978246|3.791211|4.538899|6.720466|7.521654|6.986695|12.424689|36.858105| |1.558560|1.780546|1.845676|2.157828|15.327183|2.658140|4.154315|3.872055|3.967760|5.146519|7.851301|6.837596|6.332442|7.973809|13.441040|73.516695| |1.590568|1.822875|1.926894|2.278161|16.703286|2.990484|4.613626|4.487596|5.019951|7.533882|12.585390|7.522807|6.889136|6.543683|7.942074|24.273685|36.858105| |1.549419|1.760059|1.768178|2.027704|13.776107|2.282087|3.594179|3.125707|2.959331|3.384879|4.476634|4.954244|5.277216|7.576857|12.502784|14.521261|5.216289|36.858105| |1.615304|1.848471|1.891794|2.202397|15.274409|2.597477|4.099496|3.683290|3.564943|4.196920|5.683336|5.983118|6.147982|7.509879|12.430676|13.897330|6.512514|7.609944|36.858105| |2.102881|2.473006|2.907016|3.678246|33.834000|7.874014|9.148789|7.716344|13.044865|7.667302|5.104044|4.584137|7.010248|3.364055|2.950763|5.515332|3.800038|2.417231|2.846421|36.858105| |1.883097|2.163896|2.511498|3.036516|27.444339|5.425801|6.435512|5.319533|8.088936|6.643587|4.498278|3.841848|5.490104|2.952215|2.703183|5.181732|3.611231|2.244573|2.633080|15.928444|73.516695| |2.421696|2.891099|3.575090|4.683592|50.628420|13.789351|11.024085|6.988012|7.941151|5.154908|3.984355|3.917597|6.401623|3.016317|2.602448|4.710115|3.081102|2.189338|2.521914|13.621918|14.959480|53.358707| |2.332588|2.694915|3.374604|4.077530|46.158820|7.718253|7.091328|4.571300|5.114291|3.885903|3.124264|3.031041|4.722326|2.458176|2.185814|3.977710|2.564324|1.883747|2.139777|7.861967|12.590118|17.987083|36.858105| |2.245750|2.544968|3.154685|3.648290|38.736587|5.747605|5.799005|3.811986|4.196120|3.376879|2.783266|2.696516|4.122535|2.235680|2.025637|3.655497|2.344284|1.754809|2.030690|5.846312|10.156256|10.616507|13.766801|36.858105| |2.098411|2.307865|2.820852|3.085252|30.752844|4.181178|4.495422|3.002839|3.260868|2.764312|2.339685|2.263296|3.390590|1.927523|1.771594|3.207787|2.030738|1.560485|1.775865|4.248541|7.797269|7.003693|7.998212|13.787244|36.858105| |2.034478|2.211452|2.688797|2.886366|28.247336|3.762659|4.105789|2.754246|2.980804|2.562517|2.186118|2.113644|3.146971|1.816171|1.670157|3.046853|1.915159|1.485857|1.651044|3.823880|7.107216|6.186973|6.928708|7.936075|13.739501|36.858105| |2.094468|2.302911|2.813171|3.075908|30.609754|4.164880|4.483202|2.996939|3.254941|2.761052|2.337698|2.260970|3.385447|1.927766|1.755340|3.224067|2.028217|1.560821|1.706839|4.237712|7.782758|6.971807|7.916271|6.805903|7.886198|13.725545|36.858105| |2.244065|2.542986|3.151826|3.645301|38.701038|5.749038|5.800177|3.814874|4.201813|3.380906|2.786195|2.698685|4.124680|2.239935|2.004403|3.684851|2.344328|1.757394|1.932219|5.860864|10.188375|10.638843|13.798039|7.920116|6.897702|7.989339|13.703029|36.858105| |1.951009|2.105760|2.509682|2.668655|24.675381|3.327447|3.774794|2.565603|2.750456|2.411503|2.088184|2.022947|2.987139|1.757740|1.610999|2.973305|1.847013|1.452791|1.552681|3.379973|6.235243|5.235111|5.025900|4.420014|5.003597|7.532008|12.607123|7.567792|36.858105| |17.538973|8.773728|6.781984|4.509384|25.070353|2.774702|3.710886|2.295550|2.037933|1.791274|1.742755|1.912471|2.992545|1.804659|1.580277|2.673332|1.537633|1.484331|1.533455|2.056839|3.295503|3.230908|2.319628|2.214879|2.094772|2.066253|2.146480|2.279118|2.028881|0.500000| |17.538967|8.773683|6.782091|4.509316|25.070964|2.774591|3.710515|2.295225|2.037743|1.791121|1.742458|1.912045|2.992011|1.803099|1.587917|2.665390|1.537839|1.483267|1.568039|2.056727|3.295374|3.230852|2.319860|2.281244|2.150029|2.065904|2.090441|2.213580|1.933629|0.301615|0.500000| |17.553106|8.782022|5.460533|4.058333|21.809980|2.553551|3.537696|2.227665|1.955770|1.740606|1.723198|1.915428|2.983953|1.843406|1.614421|2.690414|1.529875|1.528535|1.576887|1.929860|3.088615|2.967245|2.085731|2.010907|1.882903|1.827173|1.879765|2.009530|1.764823|0.301701|0.301697|0.500000| |8.858325|17.521915|8.854860|6.934850|30.568666|3.536713|5.064369|3.026934|2.539353|2.196689|2.172302|2.479357|4.034744|2.339509|1.974071|3.280600|1.873101|1.838780|1.888811|2.462493|3.820778|3.863406|2.605717|2.410083|2.180501|2.114328|2.238469|2.493283|2.072543|0.210678|0.172930|0.212829|0.500000| |8.858391|17.521757|8.854931|6.934509|30.569415|3.536457|5.063402|3.026182|2.538976|2.196402|2.171725|2.478431|4.033436|2.336139|1.988910|3.266063|1.873467|1.836776|1.954077|2.462289|3.820558|3.863284|2.606023|2.495599|2.242522|2.113943|2.175573|2.408791|1.972015|0.172931|0.210677|0.212832|0.303922|0.500000| |6.876967|8.850897|17.525094|8.839721|46.855010|4.302151|5.420968|3.103305|2.714194|2.278824|2.153915|2.361181|3.832171|2.131867|1.845654|3.120265|1.842525|1.675523|1.822462|2.813406|4.376665|4.718899|3.377169|3.293921|2.980573|2.788695|2.830291|3.102192|2.492300|0.169150|0.204044|0.140516|0.173701|0.211785|0.500000| |6.877270|8.851042|17.524989|8.839900|46.850605|4.302464|5.421960|3.104026|2.714588|2.279096|2.154433|2.361927|3.833188|2.134387|1.833721|3.132901|1.842142|1.677019|1.769041|2.813647|4.376912|4.719003|3.376441|3.104024|2.839111|2.789569|2.973397|3.289607|2.705636|0.204051|0.169162|0.140519|0.211780|0.173703|0.303331|0.500000| |4.518245|6.823363|8.779129|17.640834|56.561004|6.557238|9.688478|4.865921|3.798659|3.050793|2.920108|3.381227|5.973593|2.962914|2.408456|4.052636|2.383969|2.151266|2.273358|3.667810|5.356870|6.133626|3.814605|3.300260|2.813107|2.693086|2.943613|3.527524|2.614575|0.119226|0.110913|0.108289|0.206078|0.170485|0.172950|0.210563|0.500000| |4.518406|6.824051|8.779469|17.640627|56.561415|6.555554|9.682508|4.863070|3.797463|3.050081|2.918806|3.379074|5.969845|2.956251|2.435743|4.025404|2.384795|2.148153|2.390331|3.667091|5.356166|6.132948|3.815369|3.531213|2.950425|2.692141|2.804328|3.298964|2.420364|0.110917|0.119224|0.108294|0.170517|0.206092|0.210552|0.172955|0.303153|0.500000| |1.704061|1.960403|2.166491|2.608642|20.869421|4.010577|5.716619|5.658942|8.942596|17.713540|8.881839|5.655376|6.747839|4.094078|3.929624|8.237235|6.869644|3.047036|3.729578|7.095370|13.090110|6.391046|3.777357|3.339013|2.782812|2.593346|2.780154|3.343423|2.439624|0.046142|0.046140|0.044612|0.055110|0.055106|0.058106|0.058110|0.074326|0.074316|0.500000| |1.892973|2.220871|2.253483|2.692925|17.968000|3.100888|5.203109|4.752162|4.114901|4.493846|6.222579|9.041001|9.246792|17.529871|8.865530|12.443529|5.587093|7.295091|5.513647|3.146515|4.938304|3.897674|2.358951|2.121767|1.846756|1.763788|1.891522|2.193883|1.746702|0.050414|0.049567|0.051322|0.065724|0.063893|0.057869|0.059221|0.082382|0.078856|0.103355|0.500000| |2.006311|2.376503|2.390215|2.875637|18.741559|3.216925|5.515682|4.944623|4.082773|4.282422|5.722810|8.972664|10.159426|17.583394|8.748438|10.152589|4.950756|6.572555|7.029173|3.129200|4.851775|3.951360|2.381561|2.192999|1.892902|1.773056|1.866516|2.156001|1.697180|0.052475|0.052973|0.054509|0.069188|0.070333|0.062070|0.061277|0.085679|0.087895|0.097860|0.303313|0.500000| |1.528804|1.741064|1.841703|2.158790|15.933793|2.817068|4.263247|4.028141|4.565368|6.585764|8.888313|5.996030|5.976163|5.358044|6.774459|16.543286|17.509940|4.667642|6.912678|3.609800|6.242236|3.996353|2.483466|2.322793|2.018767|1.884358|1.965829|2.246867|1.780584|0.040939|0.041364|0.040857|0.049219|0.049958|0.049454|0.048735|0.061758|0.063243|0.180134|0.124593|0.122285|0.500000| |1.515204|1.723332|1.828808|2.142253|15.926926|2.821534|4.236740|4.002212|4.636142|6.862477|8.887832|5.772002|5.831677|5.079561|5.822171|17.037184|17.595646|4.422668|4.835946|3.692070|6.460048|4.043806|2.518655|2.285863|2.001909|1.912168|2.041148|2.348326|1.879054|0.040991|0.040675|0.040439|0.049277|0.048733|0.048558|0.049096|0.062431|0.061335|0.195336|0.131651|0.111083|0.302987|0.500000| |1.594541|1.811548|1.796055|2.048119|13.652563|2.227731|3.525031|2.992016|2.760117|3.045969|3.889843|4.508815|5.083664|6.907729|8.809294|10.283743|4.217863|17.552768|6.832213|2.278684|3.734800|2.864448|1.816946|1.702301|1.516467|1.440837|1.507459|1.691605|1.402405|0.042190|0.042347|0.043977|0.052644|0.052948|0.047250|0.047032|0.060297|0.060758|0.075831|0.184213|0.194164|0.108239|0.100409|0.500000| |1.429754|1.607797|1.618560|1.836645|12.618810|2.071378|3.198878|2.750757|2.674260|3.085856|3.947489|4.091058|4.463362|5.506953|8.841501|12.969229|4.855549|17.571563|7.036401|2.232012|3.748115|2.743457|1.757940|1.652224|1.480346|1.410259|1.473586|1.644640|1.375852|0.038129|0.038221|0.039204|0.046367|0.046531|0.042916|0.042787|0.053625|0.053882|0.079456|0.145352|0.137114|0.127330|0.117818|0.300355|0.500000| |1.543095|1.750406|1.757070|2.010438|13.654217|2.253777|3.538784|3.058069|2.896670|3.291174|4.281561|4.714693|5.117284|6.898505|8.850252|13.353041|4.904510|17.578822|5.524936|2.380163|3.933901|2.942943|1.865141|1.720702|1.535889|1.475721|1.563000|1.761045|1.466491|0.041309|0.040810|0.042308|0.051229|0.050294|0.045941|0.046651|0.059914|0.058432|0.082607|0.218612|0.160213|0.116773|0.122205|0.300267|0.301324|0.500000| |1.678367|1.931550|2.003867|2.359958|16.624933|2.886673|4.560151|4.193933|4.132643|4.924882|6.588412|6.631528|6.847696|6.910586|8.694262|12.070492|6.908750|5.496937|17.566534|3.241626|5.296142|3.847170|2.368291|2.258637|1.950206|1.791960|1.843688|2.101250|1.656549|0.044176|0.045477|0.045175|0.054360|0.056820|0.053934|0.051812|0.066937|0.071716|0.119741|0.139306|0.181295|0.220014|0.138566|0.140648|0.141586|0.122846|0.500000| |1.480475|1.674054|1.713964|1.967527|13.798701|2.312932|3.559219|3.133728|3.133859|3.727249|4.794928|4.662906|4.984624|5.487434|8.821648|12.820359|6.025773|6.873109|17.561937|2.584731|4.354711|3.109880|1.975600|1.889566|1.671324|1.559389|1.605723|1.798716|1.469577|0.039207|0.040065|0.040210|0.047387|0.048911|0.046112|0.044825|0.056155|0.058753|0.096276|0.123615|0.141203|0.191879|0.131137|0.165668|0.208999|0.141719|0.300905|0.500000| |1.650731|1.887621|1.905258|2.201351|14.942834|2.488162|3.940159|3.416833|3.194787|3.565634|4.559104|5.144354|5.733098|6.702576|8.819673|10.075604|4.817968|7.043656|17.561666|2.603301|4.252893|3.227007|2.026422|1.937070|1.701461|1.580014|1.626163|1.830767|1.481413|0.043247|0.044520|0.045051|0.053541|0.055996|0.051033|0.049150|0.062937|0.067049|0.088083|0.141848|0.203763|0.138465|0.106259|0.207755|0.177912|0.142021|0.302671|0.300890|0.500000| |2.245771|2.559887|3.132454|3.658965|36.833484|5.677638|5.966808|3.965165|4.323960|3.491090|2.894474|2.815118|4.307898|2.328500|2.115322|3.778404|2.429844|1.818112|2.158227|5.742266|9.697834|9.772744|8.925854|17.735099|8.886598|5.635553|4.918523|5.644342|3.538299|0.060591|0.063803|0.056126|0.066807|0.071153|0.092048|0.083156|0.090614|0.102491|0.094988|0.060485|0.063988|0.067757|0.064835|0.049157|0.047582|0.049035|0.067513|0.055608|0.057361|0.500000| |2.001025|2.170878|2.608947|2.793132|26.389945|3.553707|3.971410|2.683356|2.885150|2.505473|2.155448|2.087949|3.097445|1.801822|1.672571|3.014632|1.897713|1.480514|1.695179|3.601133|6.633816|5.673200|5.671933|8.938259|17.722994|8.917179|5.627405|4.965275|4.084114|0.055208|0.057592|0.050131|0.056568|0.059120|0.077812|0.072241|0.070375|0.075493|0.070306|0.047769|0.049439|0.052930|0.051791|0.040100|0.039213|0.040298|0.051687|0.044549|0.045329|0.214142|0.500000| |1.905495|2.033501|2.430192|2.542201|23.680462|3.115566|3.516686|2.383526|2.556659|2.251047|1.952123|1.889175|2.783598|1.647558|1.528137|2.786924|1.737569|1.371939|1.514120|3.159398|5.905270|4.923196|4.980109|5.652895|8.936370|17.707270|8.925334|5.665729|6.980220|0.054022|0.054020|0.047781|0.053974|0.053971|0.070378|0.070384|0.066164|0.066156|0.063585|0.044576|0.044775|0.047657|0.048334|0.037021|0.036339|0.037877|0.045376|0.039962|0.040379|0.124091|0.215938|0.500000| |2.244144|2.558661|3.130686|3.659739|36.858344|5.700671|5.986881|3.982171|4.347894|3.506879|2.905937|2.825064|4.321937|2.340840|2.076100|3.841784|2.433686|1.825471|1.965581|5.787625|9.773101|9.848170|8.968494|5.650600|4.964761|5.659352|8.887502|17.713872|7.002905|0.063733|0.060555|0.056091|0.071110|0.066803|0.083129|0.091925|0.102495|0.090688|0.095409|0.064597|0.062027|0.063716|0.068320|0.048630|0.047223|0.051306|0.058883|0.050705|0.051573|0.124499|0.107731|0.124177|0.500000| |2.073788|2.238061|2.675745|2.822459|25.774307|3.384747|3.867008|2.591787|2.716446|2.369074|2.076100|2.038553|3.034789|1.779754|1.617103|2.972251|1.829694|1.465438|1.545692|3.254419|5.808927|5.111719|4.657110|3.957487|4.239194|5.747939|8.836747|6.909346|17.559051|0.060600|0.056542|0.051931|0.061704|0.057464|0.072652|0.081871|0.077852|0.069792|0.065624|0.049544|0.047819|0.048588|0.051631|0.039394|0.038383|0.041296|0.045558|0.040487|0.041096|0.090189|0.097956|0.147247|0.200817|0.500000| |1.788809|1.933526|2.262814|2.431387|21.874831|3.093879|3.587225|2.505907|2.740865|2.451915|2.114177|2.018207|2.935504|1.754016|1.620552|3.024691|1.887506|1.462151|1.555589|3.357680|6.396331|4.945096|4.545226|3.972233|4.356693|6.025085|8.848772|6.533890|17.539717|0.051438|0.049054|0.045385|0.053301|0.050680|0.062008|0.067016|0.067042|0.062023|0.070005|0.048531|0.046646|0.050482|0.053948|0.038975|0.038592|0.041120|0.046010|0.041096|0.040984|0.090498|0.101214|0.157967|0.180362|0.302087|0.500000| 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