Version2.1 2021-01-18T20:28:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCNC(=O)N(CCCOCC)CC(=O)N1CCc2c(ccs2)[C@H]1c3ccccc3 C35768174 RHF 6-31G(d) (6D,7F) CCCCNC(=O)N(CCCOCC)CC(=O)N1CCc2c(ccs2)[C@H]1c3ccccc3 C01[X(C25H35N3O3S1)] 195 C1 554 CCCCNC(=O)N(CC(=O)N1CCc2c([C@H]1c1ccccc1)ccs2)CCCOCC CCCCNC(=O)N(CC(=O)N1CCc2c([C@H]1c1ccccc1)ccs2)CCCOCC CCCCNC(=O)N(CCCOCC)CC(=O)N1CCc2sccc2[C@H]1c3ccccc3 InChIKey=CYRLMRQBYBZWAB-XMMPIXPASA-N InChI=1S/C25H35N3O3S/c1-3-5-14-26-25(30)27(15-9-17-31-4-2)19-23(29)28-16-12-22-21(13-18-32-22)24(28)20-10-7-6-8-11-20/h6-8,10-11,13,18,24H,3-5,9,12,14-17,19H2,1-2H3,(H,26,30)/t24-/m1/s1 InChI=1/C25H35N3O3S/c1-3-5-14-26-25(30)27(15-9-17-31-4-2)19-23(29)28-16-12-22-21(13-18-32-22)24(28)20-10-7-6-8-11-20/h6-8,10-11,13,18,24H,3-5,9,12,14-17,19H2,1-2H3,(H,26,30)/t24-/m1/s1/f/h26H CCCCNC(=O)N(CCCOCC)CC(=O)N1CCc2c(ccs2)[C@H]1c3ccccc3 C01[X(C25H35N3O3S1)] 195 C01 554 CCCCNC(=O)N(CC(=O)N1CCc2c([C@H]1c1ccccc1)ccs2)CCCOCC CCCCNC(=O)N(CC(=O)N1CCC2=[C]([CH]=CS2)[C@H]1[C]1[CH][CH][CH][CH][CH]1)CCCOCC CCCCNC(=O)N(CCCOCC)CC(=O)N1CCc2sccc2[C@H]1[C]3[CH][CH][CH][CH][CH]3 InChIKey=CYRLMRQBYBZWAB-XMMPIXPASA-N InChI=1S/C25H35N3O3S/c1-3-5-14-26-25(30)27(15-9-17-31-4-2)19-23(29)28-16-12-22-21(13-18-32-22)24(28)20-10-7-6-8-11-20/h6-8,10-11,13,18,24H,3-5,9,12,14-17,19H2,1-2H3,(H,26,30)/t24-/m1/s1 InChI=1/C25H35N3O3S/c1-3-5-14-26-25(30)27(15-9-17-31-4-2)19-23(29)28-16-12-22-21(13-18-32-22)24(28)20-10-7-6-8-11-20/h6-8,10-11,13,18,24H,3-5,9,12,14-17,19H2,1-2H3,(H,26,30)/t24-/m1/s1/f/h26H 3419.4842006567 -1752.5518632 1-A 21443.5264 123 431 554 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97499 -20.55111 -20.54088 -20.50028 -15.60263 -15.57502 -15.55864 -11.35692 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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|A|A|A|A|A|A|A|A|A|A|A|A| 10.0346 12.6290 18.2588 20.2735 31.4697 39.5547 43.3324 48.0328 58.0113 70.1083 75.9002 76.6222 81.7090 99.8549 105.9849 116.4546 126.3660 139.6395 151.0177 161.8426 173.2192 179.3162 197.1481 206.3089 244.8508 254.7584 260.4479 267.4751 274.3153 276.3586 277.4039 292.5940 326.7353 338.6357 363.4528 371.4463 421.5042 442.4120 453.7887 464.1092 489.3064 504.7837 515.3368 527.7193 539.2614 586.9219 605.9338 620.5797 637.5196 656.9631 676.8576 685.7246 697.6427 716.1273 764.0017 770.4227 782.1249 794.7864 805.7264 822.6622 831.9488 861.7662 864.2469 883.0261 888.0590 891.4931 909.6585 914.8096 950.8632 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3210.5256 3211.0440 3211.9727 3213.7381 3213.9831 3231.6758 3242.5101 3247.6089 3257.3216 3259.8208 3261.8939 3276.1305 3282.3843 3288.7303 3294.2539 3298.8432 3319.8687 3321.4803 3353.7501 3362.3004 3372.9879 3381.3978 3389.0979 3398.5259 3444.1395 3832.2715 5.7813 4.9489 4.0745 4.3310 3.6909 3.3856 2.7276 2.1498 3.2498 3.9593 4.3395 2.6226 4.9012 4.9133 4.4444 5.4355 1.8057 2.3690 3.9994 3.3351 3.5064 4.1442 2.5217 4.4520 2.9067 4.1478 4.4705 1.2147 3.5453 1.1856 4.2398 3.9107 5.9177 4.5555 3.9964 4.0758 4.3545 2.5384 2.8955 3.1176 3.6188 3.2532 3.3449 4.3337 4.4537 4.5567 2.6873 5.5584 2.7500 2.6679 5.9527 5.1923 3.4863 3.0705 3.2279 3.4138 1.5702 1.0715 2.2457 1.4034 1.7129 1.8781 1.8968 2.8171 1.2305 2.2941 3.9914 4.0624 1.2571 1.4338 2.1916 2.0636 2.4559 2.5142 1.6205 1.3037 1.3934 2.5945 3.0009 2.5249 3.3651 1.6503 2.8586 2.8378 1.3245 2.3161 2.3820 2.5669 2.6070 2.7085 3.3982 1.9179 1.7973 1.4595 2.2651 2.0649 2.4715 2.1134 2.8009 1.7249 1.8535 3.5743 2.3520 1.2306 2.1388 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12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 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 31.97207 12.00000 1.00783 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14247.7567 25287.4199 36284.2067 0.99899 0.04503 0.00084 -0.04502 0.99892 -0.01138 -0.00135 0.01133 0.99993 1 0.00608 0.00343 0.00239 0.12667 0.07137 0.04974 14.44 18.17 26.27 29.17 45.28 56.91 62.35 69.11 83.47 100.87 109.20 110.24 117.56 143.67 152.49 167.55 181.81 200.91 217.28 232.86 249.22 258.00 283.65 296.83 352.29 366.54 374.73 384.84 394.68 397.62 399.12 420.98 470.10 487.22 522.93 534.43 606.45 636.53 652.90 667.75 704.00 726.27 741.45 759.27 775.88 844.45 871.80 892.88 917.25 945.22 973.85 986.60 1003.75 1030.35 1099.23 1108.47 1125.30 1143.52 1159.26 1183.63 1196.99 1239.89 1243.46 1270.48 1277.72 1282.66 1308.80 1316.21 1368.08 1375.68 1379.09 1404.71 1415.55 1432.59 1484.67 1488.92 1490.96 1512.71 1558.15 1561.72 1568.26 1578.97 1593.38 1595.91 1613.79 1626.32 1642.23 1644.45 1653.85 1665.81 1678.56 1685.33 1706.29 1741.23 1749.96 1763.89 1791.50 1803.15 1824.40 1848.44 1862.13 1870.63 1870.85 1875.35 1879.34 1899.24 1911.78 1925.40 1930.28 1957.30 1965.60 1995.61 2015.71 2028.11 2046.60 2051.57 2054.80 2068.09 2072.79 2077.74 2094.22 2105.99 2123.82 2148.19 2178.02 2181.91 2187.56 2209.72 2226.45 2237.36 2247.15 2250.30 2255.98 2267.68 2272.53 2285.99 2324.60 2335.52 2340.51 2344.12 2351.77 2353.93 2362.44 2365.65 2366.82 2370.71 2376.03 2379.93 2386.55 2396.69 2401.32 2403.48 2406.63 2434.52 2465.69 2572.46 2597.78 2604.45 2771.99 2787.62 4527.98 4556.41 4580.36 4580.55 4592.29 4592.57 4598.48 4600.62 4608.32 4619.23 4619.98 4621.31 4623.85 4624.20 4649.66 4665.25 4672.58 4686.56 4690.16 4693.14 4713.62 4722.62 4731.75 4739.70 4746.30 4776.55 4778.87 4825.30 4837.60 4852.98 4865.08 4876.16 4889.72 4955.35 5513.78 0.616951 0.648419 0.649363 0.547227 -1751.934912 -1751.903444 -1751.902500 -1752.004636 3.425658D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE CCCCNC(=O)N(CCCOCC)CC(=O)N1CCc2c(ccs2)[C@H]1c3ccccc3 C35768174 RHF 6-31G(d) (6D,10F) C1 457.239914 |X|Y|Z| 114.676561 84.797899 33.198455 68.600278 15 6 7 16 13 1 1 |36.858105| |12.466139|36.858105| |7.480679|12.456224|36.858105| |4.876328|7.497785|12.493107|36.858105| |3.818387|4.995570|7.799447|13.092842|53.358707| |3.049234|3.844745|5.119857|7.860599|18.878612|36.858105| |2.884195|3.679467|4.522983|6.992480|11.442103|15.820927|73.516695| |2.610605|3.112019|4.007742|5.214864|11.183684|13.894375|15.046024|53.358707| |2.208070|2.585582|3.131481|3.938171|7.109163|7.861622|12.486480|17.825838|36.858105| |2.027603|2.343140|2.765043|3.376623|5.718826|5.785346|10.173456|10.400661|12.465137|36.858105| |1.764897|2.010701|2.298681|2.735821|4.380027|4.134167|7.636127|6.764523|7.533797|12.536548|36.858105| |1.646944|1.854942|2.089898|2.432899|3.793221|3.419408|6.336442|5.334325|5.101021|8.042824|13.651419|73.516695| |1.480001|1.651039|1.828270|2.096344|3.189809|2.791687|5.206937|4.234751|3.907695|5.202954|8.104393|24.251010|36.858105| |1.391901|1.537521|1.685373|1.900155|2.846803|2.423166|4.496016|3.597129|3.124113|4.037687|5.207765|14.313287|12.564499|36.858105| |2.582359|2.962583|3.861057|4.514770|9.369617|7.710366|9.526990|18.064957|7.673912|5.820592|4.125878|6.145540|2.801486|2.447400|36.858105| |2.604151|2.921890|3.790119|4.176936|8.085068|5.789400|7.641204|10.426951|5.543334|4.184824|3.323591|5.004166|2.390381|2.103127|12.411821|36.858105| |2.680321|3.048685|3.922480|4.409859|8.256182|5.864783|7.917179|9.506513|5.321704|3.853625|3.165547|4.705283|2.286024|1.997216|8.022302|15.870579|73.516695| |2.444501|2.635357|3.320193|3.421909|6.054513|4.185156|5.915491|6.944494|4.119298|3.420806|2.837010|4.431084|2.157018|1.936980|7.648815|13.935697|15.090021|53.358707| |2.186327|2.326791|2.853980|2.931846|5.029664|3.607362|5.275513|6.044641|3.802087|3.400236|2.846255|4.570248|2.220028|2.021196|6.603868|7.743691|9.543750|17.702511|36.858105| |2.095946|2.163271|2.589358|2.554371|4.157675|2.897254|4.372929|4.542329|2.923448|2.701143|2.335939|3.854506|1.914175|1.780283|4.449911|5.084475|7.158016|10.421927|12.495718|36.858105| |1.995736|2.039669|2.400303|2.350718|3.740449|2.599930|3.978991|4.002524|2.629470|2.384443|2.114044|3.464403|1.750613|1.622188|3.716495|4.555565|6.922317|9.193022|7.785635|12.740283|36.858105| |2.082583|2.142961|2.533499|2.491509|3.975458|2.746658|4.180051|4.212192|2.753291|2.416060|2.144972|3.454144|1.748797|1.601620|3.848749|5.151822|8.235747|10.502373|6.818388|7.654145|14.199743|36.858105| |1.897793|1.929301|2.218576|2.170255|3.353439|2.332526|3.638689|3.496167|2.349328|2.082538|1.894266|3.070937|1.580618|1.454294|3.027528|3.850890|6.589497|6.765178|4.543328|5.090255|8.224894|13.211374|36.858105| |1.735952|1.747004|1.981172|1.928964|2.943411|2.059673|3.252937|3.071377|2.089772|1.898828|1.744080|2.870556|1.487861|1.384035|2.638672|3.175855|5.340448|5.445415|3.996469|4.821658|7.712992|8.230093|14.200450|36.858105| |1.742417|1.753236|2.002034|1.947807|2.999243|2.102891|3.306692|3.166212|2.142851|1.987667|1.809960|3.014719|1.551844|1.456024|2.788051|3.233227|5.179715|5.711374|4.695619|6.633645|10.998112|7.452560|7.452015|11.009387|388.023441| |2.355810|2.484202|3.033488|3.034464|5.027734|3.424261|5.047193|5.317461|3.334657|2.792153|2.418773|3.805317|1.900180|1.715012|4.987988|7.961054|12.867046|17.550109|7.441548|6.391724|7.577444|12.605162|7.308657|5.083303|33.677510|36.858105| |2.209501|2.356183|2.834038|2.912362|4.793316|3.380826|5.054636|5.304361|3.454348|2.828688|2.494101|3.868479|1.945666|1.737010|4.716221|7.446606|13.817436|12.444793|5.997722|4.983696|5.844283|8.986506|6.758299|4.685118|29.383440|17.589186|0.500000| |2.738794|2.840749|3.488052|3.318146|5.283862|3.380787|5.012146|4.885684|2.994799|2.519351|2.182530|3.458640|1.735470|1.577674|4.302958|6.297093|11.627168|10.424157|5.124781|4.844782|5.485480|7.653324|5.948943|4.367962|28.139048|12.453999|0.249324|36.858105| |2.713160|2.820962|3.353272|3.214350|4.902654|3.174485|4.834710|4.451304|2.805849|2.340652|2.066192|3.258787|1.653615|1.497868|3.645808|5.039366|10.542223|7.215495|3.858317|3.618807|4.089382|5.464667|5.042933|3.784416|23.203760|7.533702|0.206682|13.742109|36.858105| |2.997312|3.025842|3.473902|3.181838|4.570026|2.895337|4.513683|3.891746|2.465371|2.097432|1.863592|2.971867|1.517357|1.385842|3.081098|3.918319|7.991772|5.444513|3.127367|3.022679|3.325605|4.099787|3.958498|3.196373|19.933926|4.998876|0.134124|7.902717|13.737611|36.858105| |3.460676|3.326598|3.791782|3.255191|4.553642|2.801477|4.371353|3.701505|2.315150|2.011293|1.774697|2.865605|1.459339|1.345972|2.958510|3.608493|6.946164|5.107612|3.036727|3.028526|3.248157|3.796950|3.589874|3.029535|19.649549|4.410229|0.111294|6.827012|7.934767|13.768666|36.858105| |3.527570|3.370019|4.005412|3.371629|4.865361|2.944348|4.506395|3.944234|2.419286|2.122318|1.847297|2.999426|1.514913|1.403207|3.282389|4.000752|7.240803|5.948547|3.552410|3.647037|3.829510|4.346792|3.875796|3.303656|22.380526|4.990017|0.116754|7.903152|6.894916|7.959270|13.733097|36.858105| |3.083607|3.088914|3.815313|3.403630|5.260122|3.233235|4.818302|4.521800|2.734650|2.372340|2.041971|3.292052|1.649108|1.518674|3.983995|5.204537|8.955972|8.509199|4.748712|4.866985|5.157219|6.095194|4.880461|3.970085|27.356701|7.492237|0.155739|13.705008|7.974612|6.892651|7.932103|13.768081|36.858105| |17.548965|8.773099|5.457607|4.047851|4.386903|2.680228|4.613467|3.151280|2.002319|1.856502|1.638417|2.734551|1.394037|1.317035|2.269518|2.280855|4.185762|2.926012|1.944575|1.873245|1.795812|1.869754|1.725866|1.590479|11.314478|2.087932|0.054954|2.394994|2.402509|2.659035|3.017273|3.011506|2.650349|0.500000| |17.535183|8.776616|6.783379|4.506527|5.039615|2.948361|4.875760|3.501706|2.174771|1.972560|1.723187|2.843160|1.441147|1.350578|2.584440|2.688862|4.975290|3.476809|2.251455|2.176228|2.104181|2.221454|2.036540|1.851014|13.061121|2.518525|0.065387|3.018254|3.034305|3.473907|4.167312|4.145811|3.447628|0.301613|0.500000| |17.535522|8.774694|6.776003|4.505841|5.032162|2.964526|4.939165|3.506845|2.172741|2.023460|1.753613|2.934202|1.478916|1.400206|2.596275|2.583772|4.613764|3.351113|2.239903|2.171453|2.040991|2.096842|1.897971|1.751185|12.683146|2.343589|0.060309|2.695064|2.598211|2.818612|3.289415|3.506168|3.102401|0.301670|0.301635|0.500000| |8.864107|17.516007|8.855552|6.889040|6.321548|3.712670|6.466221|4.088527|2.542835|2.276038|1.978686|3.221629|1.624871|1.504542|2.804885|2.812910|5.364535|3.423843|2.200723|2.036658|1.948801|2.072804|1.887510|1.701234|11.977702|2.412340|0.064641|2.764516|2.833074|3.078414|3.296429|3.198914|2.922482|0.212915|0.210724|0.172989|0.500000| |8.861806|17.513761|8.856199|6.896462|6.313907|3.747948|6.619658|4.099575|2.541052|2.355832|2.025624|3.356125|1.679698|1.573986|2.821962|2.695945|4.925236|3.306550|2.191288|2.033854|1.899567|1.972158|1.777136|1.623948|11.691146|2.259624|0.059785|2.512903|2.471977|2.598710|2.811759|2.879781|2.706301|0.212697|0.172978|0.210799|0.303968|0.500000| |6.857410|8.834509|17.519110|8.898777|9.723059|4.842879|7.476601|5.379394|3.068937|2.782727|2.291999|3.754386|1.836958|1.709033|3.976287|3.787315|6.619456|4.640769|3.010599|2.761770|2.500129|2.580536|2.233286|2.015135|14.773545|3.039425|0.077246|3.435875|3.170830|3.226111|3.592989|4.009032|3.894977|0.140162|0.168967|0.203267|0.173487|0.211266|0.500000| |6.881289|8.862024|17.491658|8.858353|9.713404|4.755746|7.244808|5.342481|3.066888|2.649861|2.221964|3.564956|1.764241|1.619749|3.919652|4.124480|7.804049|4.973492|3.030223|2.765125|2.612792|2.816164|2.463156|2.167290|15.352195|3.440428|0.088568|4.175867|4.065322|4.321535|4.823591|5.038868|4.633601|0.140587|0.204417|0.169122|0.211919|0.173725|0.303381|0.500000| |4.539543|6.889357|8.822631|17.521593|12.315587|6.894222|12.008890|6.457573|3.792517|3.188438|2.660050|4.163781|2.046352|1.841585|3.998987|3.858976|7.632205|4.298705|2.683185|2.346164|2.207617|2.374309|2.103857|1.862164|13.152449|2.893181|0.079039|3.180707|3.213080|3.223204|3.207756|3.182571|3.167673|0.108824|0.119507|0.111359|0.207977|0.172523|0.173681|0.209746|0.500000| |4.514451|6.795799|8.838687|17.626626|12.570986|7.248100|13.160565|6.594494|3.822362|3.447237|2.792878|4.488560|2.167126|1.979922|4.109124|3.618316|6.576945|4.119536|2.694778|2.364085|2.154780|2.244811|1.967795|1.773703|12.866513|2.664780|0.071224|2.838033|2.731549|2.698712|2.770987|2.888239|2.923466|0.107981|0.110917|0.119427|0.168964|0.204650|0.213490|0.173565|0.303855|0.500000| |3.757951|4.678663|7.260458|9.214075|25.980742|9.551232|11.178375|10.395146|4.935896|3.855923|3.025191|4.638787|2.220415|1.979675|7.381872|7.517949|14.407695|7.319374|4.143658|3.386791|3.089982|3.370475|2.797707|2.405499|17.229023|4.475844|0.117236|4.847786|4.434608|4.022255|3.944871|4.239313|4.717060|0.087509|0.105557|0.100487|0.122973|0.115323|0.182863|0.218053|0.210500|0.181102|0.500000| |2.058271|2.361635|2.834926|3.415039|6.033543|5.876407|9.175154|12.569025|17.537556|8.803450|6.850429|8.385487|3.776510|3.007812|7.350637|5.951408|10.115243|6.088661|4.134736|3.107043|2.833136|2.996539|2.550668|2.252691|16.320424|3.636926|0.107774|3.133363|2.930865|2.516465|2.324824|2.422962|2.782493|0.051983|0.057035|0.056269|0.064814|0.063738|0.077254|0.079066|0.092452|0.090206|0.123738|0.500000| |2.204243|2.612633|3.101744|3.995464|6.820167|7.605504|14.091305|12.595429|17.650674|8.855386|6.901753|8.360330|3.783917|3.001732|5.725557|4.676071|8.654359|4.838107|3.214788|2.564871|2.364615|2.507352|2.187121|1.944629|13.951700|3.025245|0.088316|2.800774|2.709168|2.419542|2.255130|2.308437|2.552665|0.055957|0.060185|0.059451|0.072765|0.071527|0.082275|0.084049|0.111775|0.108167|0.129765|0.303525|0.500000| |2.129136|2.492671|2.923766|3.644272|6.005281|6.169312|11.838060|9.509186|8.891845|17.588698|8.914833|12.876608|4.842824|3.959115|5.187899|3.770126|6.261471|4.235730|3.069094|2.505370|2.210864|2.233701|1.937298|1.774335|13.214650|2.571498|0.071480|2.386273|2.228120|2.032675|1.973440|2.082082|2.290645|0.054244|0.056772|0.059128|0.066884|0.070838|0.082015|0.075936|0.094484|0.107509|0.107515|0.173625|0.212759|0.500000| |1.989014|2.262276|2.683109|3.169453|5.406146|5.089568|8.406276|9.384994|8.802116|17.523603|8.949272|13.224454|4.884770|4.014963|6.234408|4.314350|6.703109|4.968753|3.818027|2.991345|2.569747|2.548196|2.168818|1.993080|15.131872|2.901149|0.080276|2.568616|2.335163|2.079651|2.010672|2.154964|2.440070|0.050426|0.053890|0.055785|0.060303|0.063006|0.076646|0.071815|0.081492|0.089367|0.103220|0.210335|0.173310|0.302567|0.500000| |1.681397|1.895484|2.166933|2.534555|4.074230|3.733989|6.644285|6.289220|6.916240|8.815924|17.453476|16.568588|7.237465|4.752208|4.044004|3.386956|5.735739|3.985642|2.957660|2.411856|2.204521|2.244231|1.988031|1.828834|13.444537|2.515864|0.073092|2.225976|2.108693|1.880728|1.774014|1.842439|2.053237|0.043362|0.046020|0.046355|0.051994|0.052497|0.059904|0.059091|0.068893|0.070482|0.080348|0.206623|0.172647|0.173636|0.210799|0.500000| |1.759114|2.018801|2.279632|2.745364|4.287611|4.070203|7.933158|6.262750|6.817264|8.842443|17.482247|16.550308|7.310883|4.768420|3.688822|3.077267|5.390653|3.553826|2.556202|2.128962|1.957533|2.009214|1.794913|1.647859|12.006402|2.275551|0.065684|2.089991|2.013003|1.832747|1.738355|1.787725|1.951931|0.045615|0.047622|0.048143|0.055809|0.056666|0.062232|0.061034|0.075714|0.078209|0.081733|0.167642|0.204630|0.214514|0.174224|0.301488|0.500000| |1.423115|1.577761|1.749937|1.989617|3.043915|2.637493|4.824283|4.071564|3.772464|4.742012|7.272641|16.555514|17.476867|8.843544|2.749042|2.392879|4.071434|2.965274|2.252996|1.941281|1.788948|1.789286|1.624040|1.530750|11.323956|1.932164|0.055397|1.745495|1.664888|1.518011|1.450966|1.503502|1.644568|0.037216|0.038748|0.039452|0.043245|0.044237|0.048745|0.047383|0.054167|0.056379|0.059740|0.106194|0.100712|0.116718|0.126834|0.218008|0.178765|0.500000| |1.473754|1.651998|1.813993|2.094439|3.142197|2.759743|5.276758|4.081244|3.768952|4.771854|7.276091|16.561509|17.486725|8.845371|2.639948|2.282799|3.952125|2.782061|2.066139|1.789656|1.653154|1.666724|1.516129|1.422223|10.445372|1.820868|0.052050|1.681518|1.619699|1.495330|1.434467|1.477131|1.595393|0.038720|0.039803|0.040668|0.045494|0.046803|0.050165|0.048521|0.057476|0.060345|0.060515|0.099794|0.106271|0.127889|0.118065|0.176064|0.220708|0.301591|0.500000| |1.429827|1.584562|1.728351|1.954023|2.897255|2.463503|4.636834|3.579200|3.050236|3.964626|4.827201|12.894256|8.865101|17.572956|2.411334|2.056808|3.477948|2.568855|1.958580|1.732484|1.573478|1.553291|1.408692|1.339861|10.029738|1.668865|0.046683|1.551226|1.473439|1.372231|1.340326|1.398393|1.504737|0.037655|0.038300|0.040019|0.042964|0.045426|0.048791|0.045738|0.052436|0.057266|0.055361|0.079527|0.082087|0.113746|0.108260|0.116524|0.126492|0.173314|0.211872|0.500000| |1.383193|1.518389|1.672325|1.867626|2.818992|2.374711|4.319428|3.571752|3.051251|3.946006|4.824375|12.884345|8.861323|17.569636|2.493134|2.135914|3.557876|2.710696|2.115379|1.868831|1.689131|1.650957|1.493919|1.429396|10.799681|1.753137|0.049048|1.600855|1.507046|1.389534|1.353593|1.420537|1.545612|0.036260|0.037352|0.038852|0.041046|0.043060|0.047472|0.044772|0.049875|0.053829|0.054754|0.082637|0.079419|0.105624|0.114866|0.126537|0.116785|0.211818|0.173303|0.301127|0.500000| |1.295804|1.423670|1.547220|1.731283|2.567026|2.158445|4.007063|3.173573|2.725762|3.354553|4.248515|10.228173|8.850021|17.547056|2.172022|1.905893|3.245927|2.407139|1.838306|1.636747|1.507206|1.491409|1.366963|1.305576|9.718044|1.586850|0.044810|1.464794|1.399595|1.299607|1.260318|1.307439|1.408399|0.034216|0.035001|0.036133|0.038867|0.040432|0.043416|0.041462|0.046947|0.049921|0.049900|0.073892|0.073883|0.091164|0.091948|0.112324|0.112901|0.212456|0.212544|0.300344|0.300357|0.500000| |2.268133|2.552195|3.190098|3.641023|6.840408|5.787538|8.017314|12.690051|7.604161|6.448135|4.579999|6.853742|3.076335|2.674086|17.617203|8.832190|10.909294|9.382121|7.154247|4.619850|3.762546|3.765215|2.974694|2.641151|20.256426|4.588759|0.122436|3.772981|3.214844|2.722176|2.610310|2.885670|3.487772|0.056176|0.062939|0.063740|0.067406|0.068430|0.091952|0.089339|0.091566|0.095362|0.144522|0.222526|0.149995|0.148338|0.214965|0.128386|0.108298|0.084904|0.078576|0.072109|0.076893|0.065360|0.500000| |2.810779|3.209064|4.292691|4.835655|10.015464|7.149257|9.000006|12.464521|5.776632|4.995638|3.616699|5.657863|2.595653|2.330059|17.570815|8.921584|11.150854|9.427352|6.411267|4.614558|3.695998|3.699963|2.908219|2.576821|19.785844|4.619363|0.115384|4.204002|3.485001|3.031553|3.022229|3.461366|4.177410|0.067765|0.077425|0.080093|0.081999|0.085232|0.129523|0.118644|0.112764|0.123690|0.210142|0.147290|0.128691|0.133046|0.152471|0.096281|0.090525|0.069893|0.067902|0.064640|0.066337|0.057462|0.304265|0.500000| |1.969433|2.102453|2.527532|2.644033|4.469815|3.340786|5.003244|5.713066|3.846403|3.472923|2.989424|4.782359|2.339345|2.114221|5.849515|6.586812|8.719496|12.307136|17.517599|8.918108|6.894474|6.198686|4.420263|3.950300|32.542827|6.381931|0.160869|4.356714|3.488222|2.833587|2.694460|3.040079|3.892164|0.049221|0.056149|0.055654|0.055880|0.055425|0.072966|0.073905|0.068439|0.068267|0.100333|0.121465|0.089938|0.084799|0.109171|0.088753|0.073782|0.067036|0.060004|0.056154|0.061788|0.053516|0.193242|0.146654|0.500000| |2.261089|2.429045|3.009116|3.125683|5.457078|3.951299|5.721654|6.711497|4.111356|3.804874|3.076168|4.990982|2.375185|2.173263|7.765574|7.256947|8.864921|12.462862|17.662574|8.956048|5.647305|4.994099|3.639211|3.297084|27.514736|5.559188|0.130727|4.353885|3.401773|2.861757|2.836431|3.324423|4.262749|0.055694|0.063728|0.064981|0.063047|0.064289|0.090058|0.086583|0.077767|0.081068|0.120830|0.119725|0.094250|0.096125|0.122968|0.087011|0.075616|0.066119|0.060913|0.058887|0.063544|0.054296|0.246056|0.230964|0.302238|0.500000| |1.910123|1.967654|2.315527|2.301473|3.692959|2.628342|4.042808|4.119514|2.733737|2.606097|2.288378|3.842088|1.918844|1.803706|3.910741|4.172574|6.029165|7.626574|8.930214|17.562584|8.876396|5.715791|4.302160|4.352865|45.278264|4.796346|0.112303|3.804957|3.012535|2.581554|2.589613|3.043741|3.828631|0.047879|0.054598|0.055170|0.051504|0.052005|0.068753|0.067526|0.058901|0.060182|0.081456|0.080718|0.066597|0.067062|0.081317|0.065883|0.057503|0.054265|0.049434|0.048574|0.053133|0.046111|0.117542|0.112429|0.222624|0.212912|0.500000| |2.277463|2.321036|2.794133|2.682817|4.317987|2.917208|4.394137|4.432663|2.785946|2.590862|2.220204|3.689966|1.828992|1.713858|4.290775|4.765172|6.816413|9.140065|8.825826|17.536589|8.902735|6.301205|4.481480|4.273209|40.199938|5.674549|0.121694|4.867150|3.595683|3.097667|3.225980|4.055378|5.417504|0.056090|0.065766|0.066436|0.059885|0.060419|0.084542|0.082987|0.067482|0.068912|0.097495|0.080059|0.068480|0.068140|0.079198|0.062629|0.056603|0.050984|0.047724|0.046774|0.049828|0.043742|0.118564|0.131141|0.174445|0.220345|0.303007|0.500000| |1.887890|1.921931|2.191485|2.149064|3.283909|2.285998|3.592456|3.386699|2.291369|2.010818|1.842699|2.970795|1.537299|1.408842|2.854422|3.647821|6.554543|6.020706|3.865920|4.068218|5.726968|8.558998|17.743919|8.928979|37.680248|6.558105|0.187939|5.882556|5.606983|4.356694|3.753265|3.831209|4.606560|0.047888|0.056616|0.051880|0.052820|0.048958|0.060367|0.068048|0.058690|0.053866|0.076312|0.069106|0.060137|0.052077|0.057378|0.053737|0.048990|0.043895|0.041251|0.037926|0.039948|0.036913|0.076961|0.075378|0.105443|0.088742|0.097465|0.102635|0.500000| |1.612357|1.613796|1.804330|1.755012|2.640459|1.855023|2.964760|2.738463|1.884317|1.724839|1.602157|2.651177|1.386163|1.294869|2.303810|2.713892|4.643021|4.462242|3.271016|3.828518|5.420447|5.681955|8.784521|17.790108|55.260432|4.027412|0.106932|3.638431|3.315200|2.900051|2.753791|2.929191|3.362532|0.041362|0.047749|0.045087|0.043850|0.041791|0.050782|0.054583|0.047364|0.045064|0.059380|0.056201|0.049160|0.044960|0.050023|0.046654|0.042277|0.039663|0.036922|0.034820|0.037090|0.034109|0.064108|0.062553|0.090842|0.077412|0.099523|0.096962|0.204094|0.500000| |2.440235|2.576204|3.017489|3.006375|4.609177|3.108893|4.793233|4.434389|2.879991|2.372444|2.123388|3.318039|1.693379|1.521933|3.551182|4.910353|10.805916|6.774116|3.678863|3.362431|3.825396|5.153265|4.959847|3.688985|22.126007|7.014653|0.230563|8.929277|17.716232|8.928512|5.650235|4.963729|5.661005|0.060887|0.074536|0.064639|0.072858|0.063622|0.078706|0.098563|0.085122|0.071770|0.113659|0.085243|0.078035|0.062051|0.065185|0.060855|0.057752|0.047678|0.046213|0.041366|0.042403|0.039616|0.088443|0.091188|0.096121|0.089603|0.079279|0.089950|0.161489|0.090912|0.500000| |2.827249|2.860085|3.167814|2.951402|4.135619|2.676905|4.267580|3.565813|2.309589|1.970540|1.774790|2.830836|1.457178|1.330110|2.742952|3.385216|6.997080|4.586608|2.711978|2.609265|2.859780|3.461392|3.457680|2.855492|17.676342|4.085591|0.114933|5.635531|8.923239|17.713771|8.915730|5.651323|4.961965|0.071132|0.090696|0.072736|0.082885|0.068625|0.080486|0.106868|0.085282|0.070249|0.098483|0.065463|0.063980|0.053168|0.053782|0.049792|0.048936|0.040534|0.040134|0.036584|0.036882|0.034807|0.068068|0.074241|0.069780|0.069580|0.063206|0.073502|0.107980|0.073675|0.215904|0.500000| |3.633900|3.354602|3.624700|3.054642|4.110662|2.546272|4.056322|3.312367|2.099152|1.846849|1.643110|2.671587|1.368467|1.268670|2.591476|3.041187|5.823664|4.235701|2.608188|2.616476|2.773976|3.146995|3.041819|2.651745|17.334440|3.531155|0.091098|4.927872|5.641171|8.909523|17.714662|8.899719|5.641802|0.089460|0.125612|0.094501|0.093375|0.078372|0.094668|0.125642|0.084533|0.073199|0.095806|0.058109|0.057335|0.050759|0.051083|0.045430|0.044964|0.037697|0.037510|0.035209|0.035359|0.033106|0.064118|0.073896|0.065118|0.068738|0.063491|0.077552|0.088427|0.068374|0.124194|0.214574|0.500000| |3.774775|3.433978|3.973887|3.229910|4.536876|2.743331|4.251757|3.634349|2.241097|2.005971|1.748660|2.871676|1.452454|1.357015|3.003408|3.477135|6.135356|5.140281|3.242497|3.412024|3.478109|3.733393|3.362261|2.996557|20.979252|4.075415|0.096482|5.633613|4.962913|5.652937|8.905425|17.711295|8.931752|0.089100|0.124241|0.107528|0.088423|0.081845|0.114323|0.134694|0.083447|0.078358|0.105898|0.061727|0.059374|0.055204|0.056834|0.048150|0.046969|0.039880|0.039308|0.037727|0.038227|0.035138|0.074151|0.090075|0.077196|0.086460|0.080798|0.108494|0.090802|0.074839|0.107699|0.124133|0.214492|0.500000| 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