Version2.1 2020-12-17T17:00:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+]1CCC[C@H]1CN(Cc2cc3ccc(cc3[nH]c2=O)C)C(=S)Nc4ccc(cc4C)C C12635435 RHF 6-31G(d) (6D,7F) CC[NH+]1CCC[C@H]1CN(Cc2cc3ccc(cc3[nH]c2=O)C)C(=S)Nc4ccc(cc4C)C C01[X(C27H35N4O1S1)] 198 C1 569 CC[NH+]1CCC[C@H]1CN(C(=S)Nc1ccc(cc1C)C)Cc1cc2ccc(cc2[nH]c1=O)C CC[NH+]1CCC[C@H]1CN(C(=S)Nc1ccc(cc1C)C)Cc1cc2ccc(cc2[nH]c1=O)C CC[NH+]1CCC[C@H]1CN(CC2=Cc3ccc(C)cc3NC2=O)C(=S)Nc4ccc(C)cc4C InChIKey=ZGUFGJSQCKAGRG-QHCPKHFHSA-O InChI=1S/C27H34N4OS/c1-5-30-12-6-7-23(30)17-31(27(33)29-24-11-9-18(2)13-20(24)4)16-22-15-21-10-8-19(3)14-25(21)28-26(22)32/h8-11,13-15,23H,5-7,12,16-17H2,1-4H3,(H,28,32)(H,29,33)/p+1/t23-/m0/s1 InChI=1/C27H34N4OS/c1-5-30-12-6-7-23(30)17-31(27(33)29-24-11-9-18(2)13-20(24)4)16-22-15-21-10-8-19(3)14-25(21)28-26(22)32/h8-11,13-15,23H,5-7,12,16-17H2,1-4H3,(H,28,32)(H,29,33)/p+1/t23-/m0/s1/fC27H35N4OS/h28-30H/q+1 CC[NH+]1CCC[C@H]1CN(Cc2cc3ccc(cc3[nH]c2=O)C)C(=S)Nc4ccc(cc4C)C C01[X(C27H35N4O1S1)] 198 C01 569 CC[NH+]1CCC[C@H]1CN(C(=S)Nc1ccc(cc1C)C)Cc1cc2ccc(cc2[nH]c1=O)C CC[NH]1CCC[C@H]1C[N]([C](S)N[C]1[CH][CH][C]([CH][C]1C)C)CC1=[CH][C]2[CH][CH][C]([CH][C]2NC1=O)C CC[NH]1CCC[C@H]1CN(CC2=C[C]3[CH][CH][C](C)[CH][C]3NC2=O)[C](S)N[C]4[CH][CH][C](C)[CH][C]4C InChIKey=GJYZTZVUDQMDQH-QHCPKHFHSA-N InChI=1S/C27H36N4OS/c1-5-30-12-6-7-23(30)17-31(27(33)29-24-11-9-18(2)13-20(24)4)16-22-15-21-10-8-19(3)14-25(21)28-26(22)32/h8-11,13-15,23,29-30,33H,5-7,12,16-17H2,1-4H3,(H,28,32)/t23-/m0/s1 InChI=1/C27H36N4OS/c1-5-30-12-6-7-23(30)17-31(27(33)29-24-11-9-18(2)13-20(24)4)16-22-15-21-10-8-19(3)14-25(21)28-26(22)32/h8-11,13-15,23,29-30,33H,5-7,12,16-17H2,1-4H3,(H,28,32)/t23-/m0/s1/f/h28H 3674.9097412974 -1732.8474414 1-A 17402.2051 124 445 569 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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|A|A|A| 12.9422 15.8139 20.1611 26.9217 28.2457 39.2844 46.7950 49.7109 59.9887 67.4913 69.9359 74.0936 94.7011 100.9147 118.4831 124.5406 141.5822 145.0261 147.3456 170.7292 194.7926 218.2889 224.2652 239.9442 248.6498 271.0089 281.4752 290.5030 309.2776 339.2672 348.5763 355.5916 383.9611 401.4118 406.7410 418.4257 436.2466 449.5954 479.2166 488.0675 498.0220 504.4380 515.9918 519.8281 535.5117 563.1748 585.9314 593.1989 609.6490 611.6745 627.0887 659.1527 682.2650 686.0346 698.3425 706.2561 752.8996 778.0805 784.4833 795.7509 803.2348 817.9706 837.8310 845.6939 851.7718 880.7211 888.9171 899.0151 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57 58 59 60 61 62 63 64 65 66 67 68 6 6 7 1 6 6 6 6 1 6 7 6 6 6 6 6 6 6 6 6 7 1 6 8 6 6 16 7 6 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 1 1 1 1 1 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 31.97207 14.00307 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 10820.6325 23760.4247 26708.2467 0.99994 0.00942 0.00515 -0.00937 0.99991 -0.00959 -0.00524 0.00955 0.99994 1 0.00800 0.00365 0.00324 0.16679 0.07596 0.06757 18.62 22.75 29.01 38.73 40.64 56.52 67.33 71.52 86.31 97.10 100.62 106.60 136.25 145.19 170.47 179.19 203.71 208.66 212.00 245.64 280.26 314.07 322.67 345.23 357.75 389.92 404.98 417.97 444.98 488.13 501.52 511.62 552.43 577.54 585.21 602.02 627.66 646.87 689.49 702.22 716.54 725.77 742.40 747.92 770.48 810.28 843.02 853.48 877.15 880.06 902.24 948.37 981.63 987.05 1004.76 1016.15 1083.25 1119.48 1128.70 1144.91 1155.68 1176.88 1205.45 1216.76 1225.51 1267.16 1278.95 1293.48 1306.36 1319.63 1322.77 1356.03 1367.74 1398.83 1422.23 1426.23 1447.88 1456.85 1485.01 1513.62 1520.38 1541.77 1564.50 1571.29 1576.06 1585.53 1593.88 1597.51 1600.48 1609.58 1619.96 1633.19 1676.94 1679.38 1685.95 1687.31 1736.06 1750.28 1771.44 1783.23 1787.06 1800.97 1814.03 1846.10 1869.79 1875.14 1885.89 1897.23 1933.75 1944.48 1960.61 1979.51 1986.10 2007.43 2011.68 2042.41 2043.55 2047.84 2070.37 2076.13 2085.39 2115.72 2122.48 2130.87 2160.63 2195.83 2197.75 2216.51 2221.17 2225.50 2249.43 2251.69 2256.38 2256.85 2260.04 2266.50 2277.96 2286.99 2303.88 2333.55 2341.96 2344.01 2350.27 2350.86 2353.26 2356.74 2358.14 2360.28 2364.45 2369.46 2374.76 2388.96 2403.88 2408.41 2423.77 2432.75 2458.58 2541.18 2556.32 2615.51 2618.52 2640.69 2727.89 4612.89 4618.98 4622.31 4636.51 4660.85 4682.90 4700.63 4703.22 4705.17 4718.29 4726.89 4729.01 4734.48 4736.69 4737.93 4740.71 4748.82 4757.80 4767.36 4775.74 4781.75 4809.69 4812.24 4830.92 4836.66 4843.85 4845.14 4845.15 4849.02 4868.02 4872.35 4880.96 5302.09 5469.01 5532.97 0.629631 0.660540 0.661484 0.562074 -1732.217810 -1732.186902 -1732.185958 -1732.285367 3.334194D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE CC[NH+]1CCC[C@H]1CN(Cc2cc3ccc(cc3[nH]c2=O)C)C(=S)Nc4ccc(cc4C)C C12635435 RHF 6-31G(d) (6D,10F) C1 463.253159 |X|Y|Z| 105.227431 63.296368 48.195439 68.470668 26 6 7 22 4 |36.858105| |12.514684|36.858105| |7.564457|12.607652|53.358707| |7.762410|9.289172|25.696623|0.500000| |5.095925|7.523103|17.237321|0.258971|36.858105| |3.884836|5.018045|10.726822|0.194567|12.391652|36.858105| |4.054413|5.030264|10.989222|0.206048|7.777120|12.338980|36.858105| |5.424560|7.369933|17.091565|0.258410|8.012182|7.822966|12.479206|36.858105| |4.850116|6.942156|12.471447|0.182680|7.266401|6.851968|8.847223|17.624025|0.500000| |5.505424|6.103224|10.319052|0.199936|5.062423|4.965327|7.301163|12.454890|0.244838|36.858105| |3.896726|4.225999|6.814032|0.133632|3.943736|4.215723|6.249622|7.699430|0.187090|13.077298|53.358707| |3.307866|3.418684|5.542054|0.116123|3.384980|3.762578|5.395635|5.489693|0.130271|7.630778|17.544729|36.858105| |3.041972|2.981037|4.527327|0.096202|2.778140|2.953477|3.852836|4.076884|0.100575|5.629932|10.373339|12.637103|36.858105| |2.533947|2.500709|3.715507|0.077694|2.361716|2.517001|3.157488|3.272953|0.084194|4.171370|7.499904|7.601081|14.185507|36.858105| |2.299223|2.217836|3.204961|0.067366|2.053856|2.145944|2.588977|2.704662|0.070306|3.355827|5.496720|4.956084|7.808334|13.213461|36.858105| |1.978123|1.925882|2.760603|0.057502|1.807277|1.891161|2.231518|2.303779|0.061019|2.744676|4.423379|3.801697|5.107004|7.605190|13.582614|36.858105| |1.822220|1.754192|2.479654|0.051794|1.632215|1.688821|1.952760|2.022455|0.053739|2.373662|3.675785|3.057530|3.929031|5.082064|7.908337|13.921502|36.858105| |1.882219|1.777790|2.487912|0.052411|1.625446|1.661296|1.907690|1.994782|0.052620|2.355429|3.537053|2.911592|3.767742|4.491964|6.802708|7.905766|13.545472|36.858105| |2.146833|1.994840|2.791352|0.059393|1.793771|1.822033|2.111663|2.232531|0.058098|2.700568|4.007084|3.332469|4.523853|5.118128|7.863362|6.866241|7.932379|13.828445|36.858105| |2.422580|2.265972|3.223174|0.068736|2.040662|2.090981|2.488089|2.640938|0.067896|3.307485|5.071465|4.408777|6.767327|7.843332|13.692781|7.933085|6.884330|7.921444|13.645094|36.858105| |2.880087|2.626523|3.745668|0.081391|2.309057|2.339694|2.815223|3.043813|0.076320|3.963616|5.820787|5.067455|7.953732|6.993412|8.003811|5.209867|4.592386|5.188238|7.881310|13.792170|53.358707| |2.923881|2.593596|3.633817|0.079751|2.239872|2.233489|2.629192|2.856889|0.071621|3.640271|5.059774|4.204222|5.796460|5.119308|5.801664|4.274394|4.030157|4.790784|7.305948|9.242051|25.984087|0.500000| |3.363467|3.106444|4.578728|0.100473|2.742818|2.806458|3.523992|3.853719|0.093487|5.387661|8.039134|7.503644|12.992918|7.839271|6.705221|4.489870|3.768725|3.931190|5.149535|7.800493|19.050562|0.264856|36.858105| |4.106486|3.639169|5.390934|0.123120|3.107951|3.104400|3.884256|4.363142|0.101859|6.242317|7.954965|6.685648|8.049162|5.364274|4.698204|3.491727|3.060136|3.230001|4.094061|5.396449|11.585553|0.220228|15.682400|73.516695| |1.687301|1.588992|2.202274|0.046344|1.453581|1.476070|1.664935|1.736970|0.046101|2.008580|2.949246|2.372434|2.915600|3.313210|4.420938|5.034643|7.553990|12.625799|7.579152|5.017389|5.258896|0.105453|3.073885|4.726426|36.858105| |3.350578|3.734934|5.705355|0.107239|3.520997|3.752940|5.133992|6.121965|0.177286|7.732391|19.203779|7.756761|5.765028|4.937744|3.730418|3.157370|2.621987|2.467662|2.707695|3.328295|4.882229|0.087391|4.488370|7.582323|2.075979|36.858105| |2.596726|2.848617|4.330873|0.083230|2.869354|3.173310|4.098220|4.249849|0.122907|4.751037|9.676183|6.211953|5.008965|4.949466|3.721651|3.325946|2.705528|2.448553|2.589724|3.132754|4.316866|0.076794|3.744770|6.060405|2.060273|11.372708|388.023441| |3.552422|4.086354|5.814181|0.104664|3.579943|3.593638|4.547405|5.914223|0.194958|6.816586|11.125875|5.156673|4.308868|3.813684|3.123335|2.720878|2.338284|2.234207|2.436402|2.891455|4.241410|0.078431|3.726678|6.541602|1.920341|13.839929|51.682550|53.358707| |3.937973|4.324895|5.581683|0.101635|3.326631|3.150120|3.785638|5.076722|0.159417|6.204047|8.541315|4.334734|3.981329|3.527147|3.041060|2.644357|2.325768|2.271890|2.503752|2.926722|4.350928|0.082148|3.719675|6.648910|1.968259|7.610477|35.244198|18.093170|36.858105| |3.807623|3.823062|4.914151|0.094136|2.907800|2.769117|3.325206|4.268342|0.122578|5.681935|8.013586|4.421893|4.484139|3.991079|3.542528|3.015898|2.658876|2.634315|2.957475|3.489633|5.226262|0.098236|4.367652|7.588712|2.252572|6.343885|31.758759|10.520621|13.731722|36.858105| |3.748409|3.571031|4.358481|0.084642|2.614142|2.431254|2.800600|3.512632|0.100010|4.394796|5.780878|3.470813|3.635909|3.313820|3.125324|2.722374|2.493115|2.536619|2.847699|3.214704|4.805195|0.094337|3.783990|6.733036|2.222855|4.352964|24.048325|6.957682|7.925804|13.777158|36.858105| |3.782806|3.661700|4.251863|0.081052|2.597804|2.355883|2.621431|3.289727|0.096353|3.817630|4.826482|2.910230|2.938779|2.695100|2.547994|2.274340|2.113431|2.149328|2.371909|2.612645|3.876191|0.077511|3.043727|5.563104|1.929457|3.678429|20.868208|6.128782|6.808033|7.900644|13.717294|36.858105| |3.899322|4.087205|4.659942|0.085625|2.881927|2.578216|2.833323|3.625018|0.111710|3.973719|4.953730|2.892899|2.790220|2.545481|2.347254|2.107419|1.938702|1.942206|2.121535|2.354513|3.481499|0.068911|2.802283|5.164200|1.744408|3.905692|21.882928|7.023184|7.970554|6.933945|8.009990|13.718764|36.858105| |3.971951|4.494537|5.373465|0.095647|3.301790|2.999717|3.385048|4.482411|0.146823|4.842029|6.135939|3.369370|3.111683|2.805959|2.499738|2.226991|2.006719|1.978276|2.158145|2.447085|3.618792|0.070151|3.005574|5.505733|1.753219|5.135002|27.128899|10.692288|13.654356|7.903013|6.837586|7.815522|13.702054|36.858105| |3.562481|4.330382|5.302761|0.091680|3.488569|3.164662|3.422370|4.371607|0.153983|4.187163|5.341284|3.011248|2.696034|2.457722|2.180940|1.974617|1.783664|1.744567|1.878798|2.111933|3.089684|0.060000|2.561881|4.705372|1.560472|4.540125|25.623492|9.065056|7.506149|5.004131|4.432983|4.996097|7.567526|12.595876|36.858105| |3.306508|3.092960|3.583239|0.069605|2.247186|2.034288|2.209126|2.674963|0.077083|3.014989|3.819572|2.415329|2.480209|2.313781|2.253065|2.047502|1.949950|2.012359|2.203646|2.351165|3.451554|0.070643|2.620034|4.798377|1.849054|2.857120|17.013744|4.516462|4.421199|5.013749|7.544739|12.609148|7.542485|4.987175|3.781176|36.858105| |17.601503|8.731076|9.221176|0.201787|4.494360|3.697013|4.123345|5.614576|0.135029|6.612962|6.141645|3.809315|3.573427|2.901476|2.623832|2.213642|2.027424|2.106790|2.443976|2.802122|4.668504|0.096934|4.096877|9.269769|1.866129|3.733590|20.075737|5.277309|4.385357|4.458117|4.348985|4.152005|4.084922|4.174112|3.549386|3.538366|0.500000| |17.553031|8.797843|9.277364|0.219903|5.008029|3.838987|3.865251|4.756314|0.115512|4.687109|4.711635|3.082965|2.848596|2.383682|2.179778|1.882601|1.744880|1.810824|2.065239|2.311471|3.744348|0.078507|3.181357|6.975263|1.633468|2.958809|16.834908|4.141203|3.259684|3.192302|3.142384|3.137070|3.192301|3.248977|2.998240|2.834031|0.300299|0.500000| |17.589852|8.938458|7.537631|0.150984|4.191868|3.273207|3.359009|4.336081|0.114309|4.438166|4.578684|2.876886|2.714069|2.318204|2.141846|1.866485|1.737996|1.802394|2.041788|2.265083|3.606313|0.075360|2.994273|6.289947|1.632698|3.011265|16.936866|4.457600|3.759482|3.673854|3.814277|4.053688|4.152383|3.979551|3.546399|3.672483|0.302395|0.302507|0.500000| |8.780089|17.645063|12.344939|0.186301|6.196431|4.560863|4.786139|7.383494|0.223212|6.362488|6.147132|3.478908|3.036548|2.573478|2.273055|1.980995|1.797021|1.808866|2.018338|2.297429|3.579445|0.071338|3.097253|6.259637|1.612384|4.182596|22.053624|6.680951|5.410894|4.482394|4.126134|4.343666|5.165754|5.954291|5.704280|3.501761|0.207962|0.172404|0.212916|0.500000| |8.865079|17.638942|12.372665|0.200656|7.668382|4.801101|4.382030|5.675217|0.156484|4.605005|4.720302|2.906434|2.561641|2.197403|1.971732|1.737536|1.595658|1.616038|1.795294|2.010337|3.122298|0.063265|2.652116|5.419026|1.459517|3.166735|17.940916|4.715433|3.618031|3.206426|3.062087|3.220837|3.629597|3.893859|3.968479|2.819440|0.172627|0.212951|0.214525|0.302187|0.500000| |4.710045|7.286666|12.429869|0.183074|17.636600|8.709778|6.191573|6.874738|0.205455|4.541328|4.982254|3.075144|2.562409|2.218398|1.941573|1.726048|1.563603|1.551838|1.699270|1.919504|2.918311|0.057727|2.508910|4.955618|1.393946|3.435791|20.054343|4.973298|3.413018|2.901062|2.623296|2.668697|3.049326|3.528136|3.927063|2.303983|0.114080|0.123373|0.113545|0.183908|0.226005|0.500000| |4.980453|6.641697|12.256067|0.231632|17.635949|8.579273|5.780838|5.765446|0.144707|4.192175|4.542281|2.978311|2.521421|2.161176|1.910877|1.689505|1.541108|1.546032|1.706441|1.920203|2.960408|0.059364|2.543176|5.160963|1.393534|2.977017|17.691746|4.099163|2.876499|2.588078|2.385354|2.386298|2.603740|2.882818|3.006087|2.113057|0.118164|0.146675|0.115310|0.144931|0.207743|0.301302|0.500000| |3.333626|4.284510|8.040194|0.142661|8.825797|17.617767|8.708021|6.233364|0.173529|4.216013|5.165159|3.376444|2.685337|2.346986|2.009552|1.796418|1.606359|1.568561|1.701019|1.937774|2.899004|0.056313|2.511839|4.818976|1.399791|3.578230|22.340446|4.751182|3.009941|2.605447|2.290059|2.241488|2.485257|2.912689|3.187330|1.941120|0.088105|0.090293|0.080781|0.113688|0.117488|0.227154|0.184903|0.500000| |3.522533|4.247402|8.411337|0.172599|8.747389|17.615965|8.720496|5.801822|0.139276|4.210308|4.994871|3.474144|2.787417|2.390985|2.059597|1.821602|1.635963|1.614828|1.769803|2.018351|3.071874|0.060235|2.681129|5.285408|1.441072|3.235637|20.110158|4.146665|2.722543|2.464052|2.196315|2.121249|2.279621|2.588550|2.688247|1.862944|0.093430|0.100615|0.083059|0.105159|0.115222|0.177225|0.221120|0.303688|0.500000| |3.398722|4.113083|7.836910|0.146305|5.757374|8.654753|17.629828|8.803849|0.217921|6.270395|8.705619|5.596574|3.885644|3.276177|2.640746|2.301051|1.992281|1.915992|2.094338|2.472531|3.714685|0.069795|3.377755|6.318941|1.666500|5.708807|34.426394|6.570018|3.780601|3.278922|2.717370|2.528610|2.743565|3.328827|3.420594|2.125111|0.097070|0.089203|0.081005|0.114307|0.101714|0.142202|0.125327|0.222181|0.187091|0.500000| |3.939418|4.505577|9.334962|0.205714|6.233768|8.755391|17.563198|8.840653|0.174116|6.964006|8.298832|6.003682|4.232001|3.378401|2.756827|2.344518|2.047353|2.010607|2.246960|2.670493|4.177589|0.079547|3.918898|7.827591|1.745892|4.679751|27.339015|5.426946|3.432666|3.164400|2.695070|2.482919|2.608642|3.028730|2.965876|2.119612|0.114293|0.107821|0.089965|0.115640|0.108955|0.136014|0.144411|0.176849|0.226145|0.303112|0.500000| |5.693398|5.628264|9.564965|0.218213|4.747862|4.671689|6.570685|8.825712|0.173639|17.682245|12.680998|7.739249|6.071675|4.281722|3.494875|2.802750|2.439634|2.461394|2.881581|3.561545|6.108326|0.115993|6.443554|15.258584|2.092935|5.771052|28.720405|6.807802|4.803160|4.806791|3.976381|3.441929|3.444409|3.937081|3.432642|2.827183|0.200444|0.142262|0.123830|0.149019|0.120461|0.113663|0.115071|0.107334|0.116522|0.151276|0.201605|0.500000| |6.338078|6.733637|9.312934|0.174324|4.576665|4.182061|5.419968|8.857435|0.216301|17.701339|12.361854|5.813124|4.954902|3.848157|3.228616|2.666068|2.340396|2.347155|2.696272|3.248412|5.289614|0.101147|5.022948|10.288023|2.015994|6.904802|30.630598|9.839451|7.947381|7.345139|5.610824|4.817280|4.989925|6.076813|4.789900|3.624329|0.224156|0.138387|0.145567|0.213318|0.136071|0.119706|0.108001|0.101911|0.099550|0.133807|0.141196|0.306433|0.500000| |2.852626|3.010421|4.870889|0.100163|3.138433|3.611759|5.070432|4.774102|0.119017|5.767832|12.440429|17.719539|8.933552|7.243579|4.691335|3.797756|3.011594|2.782615|3.074445|3.953213|5.753111|0.098711|5.566582|8.744586|2.280944|7.377772|52.601813|6.572332|3.890040|3.848565|3.061996|2.621047|2.641755|3.091697|2.852307|2.199410|0.088426|0.074521|0.070070|0.085613|0.072913|0.080307|0.076759|0.092932|0.093279|0.158955|0.152481|0.154669|0.128385|0.500000| |3.501507|3.588830|6.083645|0.133811|3.703326|4.198588|6.161612|5.820715|0.129453|7.582834|12.520376|17.647595|8.977665|5.838500|4.251824|3.334410|2.774877|2.702345|3.116202|4.010015|6.515212|0.114965|7.099529|12.878037|2.241193|5.840070|34.014572|5.910058|3.781506|3.810036|3.129833|2.695209|2.689911|3.080639|2.805953|2.277866|0.111376|0.093089|0.082717|0.097618|0.084835|0.090263|0.091371|0.100848|0.110527|0.165829|0.215824|0.248591|0.153638|0.303364|0.500000| |2.346360|2.370872|3.548925|0.073125|2.305117|2.498855|3.130761|3.169828|0.083184|3.869018|7.172724|7.017887|9.098212|17.714812|8.789723|6.975901|4.655768|3.913036|4.156740|5.615123|6.824872|0.110324|5.583849|7.613255|2.997197|5.117331|41.571476|5.258283|3.425185|3.716034|3.057524|2.539125|2.448452|2.740073|2.452030|2.177512|0.073200|0.061299|0.059859|0.068263|0.058424|0.060646|0.058249|0.065775|0.065732|0.093195|0.091505|0.106360|0.098310|0.219616|0.147903|0.500000| |1.883741|1.863406|2.687786|0.055520|1.779943|1.881442|2.219344|2.264679|0.060580|2.650297|4.348076|3.715209|4.681686|6.972395|8.892390|17.711916|8.971199|5.625340|4.948066|5.646766|5.738341|0.098168|3.904966|5.565448|4.101659|3.200053|25.302865|3.725856|2.600012|2.891831|2.575399|2.178616|2.051400|2.193311|1.971198|1.951805|0.057973|0.049736|0.049366|0.053486|0.046911|0.047445|0.046024|0.050110|0.050240|0.064582|0.064240|0.073901|0.070964|0.107681|0.089547|0.210241|0.500000| |1.658891|1.607457|2.266812|0.047130|1.508625|1.562736|1.787838|1.840431|0.049302|2.120592|3.264320|2.672694|3.281094|4.121344|5.631389|8.981765|17.722291|8.862339|5.649146|4.958269|4.964342|0.091432|3.119291|4.647384|7.030662|2.367734|17.689564|2.908760|2.118590|2.384104|2.251838|1.941233|1.793779|1.852517|1.664763|1.806898|0.050738|0.044212|0.044178|0.045801|0.040927|0.040347|0.039653|0.041587|0.042120|0.050904|0.051738|0.060033|0.058159|0.074318|0.067849|0.110509|0.216301|0.500000| |2.166920|1.979860|2.740837|0.058694|1.758405|1.766527|2.023274|2.149971|0.055797|2.583184|3.711248|3.025244|3.948204|4.168597|5.617640|4.947630|5.631080|8.931474|17.705762|8.895160|9.789039|0.219242|4.750823|7.131572|6.998287|2.488290|16.621904|3.102156|2.376555|2.803618|2.773243|2.338368|2.075534|2.081247|1.811534|2.211396|0.068546|0.058317|0.057603|0.055246|0.049651|0.046215|0.046851|0.045649|0.047849|0.055105|0.059869|0.077394|0.072350|0.076727|0.080483|0.096059|0.107426|0.123960|0.500000| |1.575575|1.492487|2.081931|0.043864|1.386470|1.416592|1.590400|1.639489|0.043498|1.872985|2.751951|2.232043|2.695888|3.066060|3.973621|4.624772|6.739645|8.874292|5.911663|4.311320|4.644813|0.092798|2.797046|4.342275|17.555596|1.938830|13.853553|2.432148|1.810522|2.037938|1.996001|1.752794|1.604091|1.621050|1.459211|1.678927|0.048055|0.042618|0.042250|0.041911|0.038267|0.036897|0.037014|0.037410|0.038616|0.044352|0.046444|0.054249|0.051758|0.060340|0.059039|0.078542|0.108753|0.191705|0.152539|0.500000| |1.716821|1.598545|2.201087|0.046535|1.448621|1.460004|1.637748|1.716419|0.045401|1.984380|2.862054|2.284913|2.788835|3.057656|3.949083|4.173075|5.557193|8.831355|7.260214|4.742288|5.265545|0.110394|3.041324|4.769833|17.594039|1.995018|13.836899|2.532446|1.926366|2.210578|2.214556|1.932133|1.735865|1.728751|1.535181|1.872078|0.052800|0.046363|0.046314|0.044844|0.040829|0.038526|0.038775|0.038316|0.039681|0.045152|0.047799|0.057894|0.055633|0.060299|0.060692|0.076016|0.095973|0.140661|0.222327|0.301521|0.500000| |1.621603|1.534505|2.112495|0.044133|1.398254|1.415485|1.590391|1.667282|0.044645|1.918250|2.819361|2.227399|2.692988|3.063039|3.971066|4.628146|6.756548|8.871703|5.897084|4.304131|4.636751|0.092516|2.792975|4.335526|17.555725|2.016831|14.316587|2.568327|1.944842|2.227328|2.216938|1.932434|1.742237|1.741672|1.549826|1.864435|0.049602|0.043385|0.043873|0.043531|0.039256|0.037483|0.037176|0.037478|0.038232|0.044369|0.045914|0.054868|0.053895|0.059801|0.058021|0.078471|0.108882|0.192722|0.151987|0.302355|0.301443|0.500000| |3.048646|3.502701|4.948519|0.089550|3.212241|3.269054|3.968178|4.778197|0.159420|5.081651|8.222573|4.330468|3.714145|3.451218|2.878593|2.584023|2.232168|2.108603|2.255830|2.630869|3.756991|0.069760|3.199558|5.539551|1.828469|9.795653|53.166333|25.941666|9.384087|6.143455|4.440806|4.072190|4.749567|7.023012|6.774808|3.093302|0.090272|0.073866|0.079579|0.115253|0.085574|0.092850|0.075909|0.091050|0.077710|0.120634|0.096665|0.110910|0.146083|0.118955|0.102649|0.100068|0.073466|0.057419|0.058463|0.047488|0.048954|0.050290|0.500000| |3.485836|3.454472|4.656206|0.091501|2.777152|2.723746|3.349467|4.134052|0.114294|5.762028|9.124454|5.261761|5.720396|5.101719|4.418274|3.625693|3.103349|3.043021|3.459955|4.258435|6.332268|0.113996|5.358225|8.689457|2.525672|7.002236|35.655018|9.625761|8.916137|17.733458|8.942666|5.636744|4.985204|5.630768|4.078901|4.093566|0.114817|0.083614|0.091381|0.107761|0.080951|0.075498|0.068934|0.070837|0.068131|0.092921|0.090809|0.140386|0.188153|0.124803|0.119916|0.128298|0.095544|0.075832|0.088892|0.063050|0.068158|0.068903|0.158261|0.500000| |3.411261|3.142513|3.897632|0.077557|2.363850|2.219687|2.545747|3.093518|0.085939|3.873857|5.181232|3.294675|3.626618|3.368975|3.314480|2.887448|2.693026|2.798802|3.177170|3.520356|5.228354|0.104309|3.914444|6.832373|2.455857|3.790309|21.886203|5.652374|5.650820|8.963943|17.711830|8.904632|5.669818|4.933365|3.545814|6.980427|0.110847|0.081698|0.096565|0.096912|0.075845|0.065117|0.060791|0.057906|0.056571|0.068587|0.069444|0.102029|0.130961|0.080728|0.083022|0.084657|0.074403|0.067076|0.086877|0.060361|0.068500|0.068259|0.102398|0.217004|0.500000| |3.618458|3.827180|4.294831|0.078818|2.741932|2.425380|2.585732|3.227265|0.099814|3.378944|4.196057|2.517698|2.419849|2.227301|2.072703|1.884563|1.751026|1.757081|1.903656|2.083388|3.060602|0.061122|2.437431|4.513115|1.598063|3.282607|19.108998|5.701848|5.667114|4.982238|5.679396|8.946213|17.698211|8.963374|7.085167|7.020479|0.101087|0.083711|0.110183|0.131974|0.098608|0.081972|0.069729|0.065609|0.059893|0.069449|0.066007|0.082988|0.113214|0.064689|0.066031|0.059898|0.051140|0.045373|0.052046|0.041047|0.044297|0.044432|0.111134|0.108051|0.124454|0.500000| |3.822588|4.984407|6.343369|0.105332|4.236886|3.817427|4.104686|5.378023|0.208694|4.720156|5.858161|3.239889|2.797371|2.508862|2.190795|1.969043|1.767107|1.725668|1.865702|2.114576|3.120793|0.060430|2.635381|4.898145|1.537880|4.905865|27.049500|9.543715|6.780295|4.586236|3.936101|4.209180|5.747073|8.782923|17.558124|3.277060|0.104081|0.089616|0.102140|0.185406|0.126460|0.136808|0.097709|0.107956|0.087254|0.113682|0.095098|0.104818|0.144308|0.085425|0.084960|0.069759|0.054706|0.045712|0.049918|0.040132|0.042019|0.042143|0.190472|0.108272|0.089708|0.148826|0.500000| |2.984142|3.522165|4.513775|0.079796|3.061699|2.890508|3.134523|3.793264|0.130608|3.668706|4.965279|2.866398|2.580129|2.407435|2.138998|1.964995|1.771981|1.714266|1.823421|2.041261|2.931664|0.056555|2.405144|4.328546|1.535586|4.415901|26.623930|8.664408|6.502719|4.542671|3.986373|4.347626|6.032544|8.824542|17.532740|3.402605|0.083450|0.071657|0.082135|0.121168|0.091035|0.094642|0.073936|0.082423|0.069002|0.089787|0.076012|0.084820|0.112123|0.077256|0.073283|0.067860|0.055107|0.046266|0.048501|0.039994|0.041700|0.042580|0.205810|0.106593|0.090793|0.159323|0.303569|0.500000| |3.469687|4.174822|4.894807|0.085354|3.297292|2.914583|3.032629|3.778403|0.127916|3.573924|4.464039|2.614501|2.379578|2.180520|1.968772|1.795511|1.642512|1.618644|1.739356|1.928916|2.821297|0.055473|2.306279|4.271461|1.463689|3.632354|21.270419|6.617785|5.567033|4.178459|3.983214|4.761414|7.287955|8.861056|17.594606|3.825399|0.093315|0.081630|0.099251|0.150016|0.111090|0.104783|0.080891|0.081723|0.069737|0.082875|0.073938|0.084417|0.113122|0.068796|0.068890|0.060105|0.049605|0.042773|0.046991|0.038081|0.040205|0.040451|0.136089|0.096008|0.090605|0.226414|0.301142|0.302955|0.500000| 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