Version2.0 2020-07-17T05:42:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccn2c(c1)[nH+]c(c2NC(C)(C)CC(C)(C)C)c3ccccc3OS(=O)(=O)c4ccc(cc4)Cl C04172635 RHF 6-31G(d) (6D,7F) Cc1ccn2c(c1)[nH+]c(c2NC(C)(C)CC(C)(C)C)c3ccccc3OS(=O)(=O)c4ccc(cc4)Cl C01[X(C28H33Cl1N3O3S1)] 201 C1 614 Clc1ccc(cc1)S(=O)(=O)Oc1ccccc1c1[nH+]c2n(c1NC(CC(C)(C)C)(C)C)ccc(c2)C Clc1ccc(cc1)S(=O)(=O)Oc1ccccc1c1[nH+]c2n(c1NC(CC(C)(C)C)(C)C)ccc(c2)C Cc1ccn2c(NC(C)(C)CC(C)(C)C)c([nH+]c2c1)c3ccccc3O[S](=O)(=O)c4ccc(Cl)cc4 InChIKey=YNRAWRDXEMJKHL-UHFFFAOYSA-O InChI=1S/C28H32ClN3O3S/c1-19-15-16-32-24(17-19)30-25(26(32)31-28(5,6)18-27(2,3)4)22-9-7-8-10-23(22)35-36(33,34)21-13-11-20(29)12-14-21/h7-17,31H,18H2,1-6H3/p+1 InChI=1/C28H32ClN3O3S/c1-19-15-16-32-24(17-19)30-25(26(32)31-28(5,6)18-27(2,3)4)22-9-7-8-10-23(22)35-36(33,34)21-13-11-20(29)12-14-21/h7-17,31H,18H2,1-6H3/p+1/fC28H33ClN3O3S/h30H/q+1 Cc1ccn2c(c1)[nH+]c(c2NC(C)(C)CC(C)(C)C)c3ccccc3OS(=O)(=O)c4ccc(cc4)Cl C01[X(C28H33Cl1N3O3S1)] 201 C01 614 Clc1ccc(cc1)S(=O)(=O)Oc1ccccc1c1[nH+]c2n(c1NC(CC(C)(C)C)(C)C)ccc(c2)C C[C]1[CH]=C[N]2[C]([CH]=1)NC(=C2NC(CC(C)(C)C)(C)C)[C]1[CH][CH][CH][CH][C]1OS(=O)(=O)[C]1[CH][CH][C]([CH][CH]1)Cl CC1=C[C]2NC(=C(NC(C)(C)CC(C)(C)C)N2C=C1)[C]3[CH][CH][CH][CH][C]3O[S](=O)(=O)[C]4[CH][CH][C](Cl)[CH][CH]4 InChIKey=CJDQFPYHKYYQNT-UHFFFAOYSA-N InChI=1S/C28H33ClN3O3S/c1-19-15-16-32-24(17-19)30-25(26(32)31-28(5,6)18-27(2,3)4)22-9-7-8-10-23(22)35-36(33,34)21-13-11-20(29)12-14-21/h7-17,30-31H,18H2,1-6H3 InChI=1/C28H33ClN3O3S/c1-19-15-16-32-24(17-19)30-25(26(32)31-28(5,6)18-27(2,3)4)22-9-7-8-10-23(22)35-36(33,34)21-13-11-20(29)12-14-21/h7-17,30-31H,18H2,1-6H3 4524.7566349525 -2324.1963856 1-A 20515.8935 139 475 614 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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 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 7 6 6 7 1 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 8 16 8 8 6 6 6 6 6 6 17 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 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 14056.5159 27145.4687 33066.3888 0.99990 0.00921 -0.01090 -0.00933 0.99990 -0.01020 0.01080 0.01030 0.99989 1 0.00616 0.00319 0.00262 0.12839 0.06648 0.05458 19.51 23.99 33.93 39.78 56.20 59.78 71.70 98.25 113.44 118.00 125.48 136.53 149.25 162.88 192.58 210.93 239.69 260.69 287.38 290.60 319.46 355.17 362.52 377.26 388.77 398.10 401.31 421.34 436.38 454.30 455.86 467.50 476.06 478.75 489.17 507.90 526.41 538.96 541.92 573.26 582.25 610.55 634.58 644.46 652.54 667.41 691.35 701.37 723.74 753.10 761.33 779.89 790.16 800.41 807.06 832.62 882.32 898.86 936.00 967.84 968.60 989.38 993.71 1003.90 1075.35 1075.75 1121.89 1136.21 1155.73 1175.59 1206.14 1213.24 1227.83 1231.98 1269.02 1273.54 1310.54 1333.83 1349.39 1362.11 1365.11 1382.26 1392.00 1415.22 1446.99 1456.78 1460.99 1475.23 1502.02 1505.17 1518.48 1562.22 1575.09 1582.25 1592.70 1599.00 1604.81 1609.76 1613.45 1635.10 1637.43 1655.69 1673.02 1684.80 1686.65 1712.93 1730.78 1740.27 1747.87 1750.45 1786.15 1829.78 1843.82 1848.34 1852.07 1857.14 1875.77 1882.72 1909.52 1915.88 1931.99 1954.06 1961.76 1967.96 1992.21 2014.55 2030.02 2034.11 2085.26 2120.99 2144.68 2148.28 2179.07 2221.85 2234.90 2242.11 2246.85 2249.39 2252.18 2256.26 2277.54 2291.04 2322.48 2327.25 2330.01 2332.57 2346.22 2347.47 2350.44 2352.35 2353.61 2361.61 2374.98 2379.20 2386.06 2386.97 2390.62 2398.39 2406.47 2414.21 2457.27 2525.02 2534.81 2557.31 2568.26 2600.34 2662.37 2691.71 4595.62 4605.87 4616.94 4629.63 4631.61 4633.92 4655.33 4660.87 4692.55 4694.90 4702.43 4712.25 4720.81 4725.41 4731.89 4736.28 4742.30 4756.40 4768.55 4781.37 4853.21 4875.16 4893.97 4900.78 4901.81 4903.69 4904.20 4907.15 4920.86 4925.74 5051.77 5513.48 5587.86 0.609766 0.642724 0.643668 0.543035 -2323.586619 -2323.553662 -2323.552718 -2323.653351 3.375247D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE Cc1ccn2c(c1)[nH+]c(c2NC(C)(C)CC(C)(C)C)c3ccccc3OS(=O)(=O)c4ccc(cc4)Cl C04172635 RHF 6-31G(d) (6D,10F) C1 526.193117 |X|Y|Z| 76.151942 110.808354 49.378180 74.690068 23 6 7 8 16 19 2 1 1 |36.858105| |12.666116|36.858105| |7.524918|13.330659|36.858105| |5.048718|7.893323|14.157977|36.858105| |4.472604|6.911772|8.127332|13.966310|53.358707| |5.040535|8.023797|7.022463|8.116606|19.361885|36.858105| |7.595425|13.977744|7.930349|6.867394|10.813258|13.569373|36.858105| |3.821511|5.206037|4.739191|5.531365|12.062864|14.314499|7.658046|53.358707| |3.594965|4.599423|4.012419|4.394123|8.369638|9.232276|6.733397|26.031500|0.500000| |3.178301|4.189196|4.234758|5.385586|11.783313|8.560364|5.282741|18.698010|0.250599|36.858105| |3.357562|4.568328|5.123383|7.530416|18.121728|8.408235|5.280090|11.694051|0.167415|14.134960|36.858105| |2.872082|3.699922|4.357907|6.277008|10.570263|5.350438|3.950651|7.261697|0.118050|7.653987|13.903862|53.358707| |2.600882|3.226985|3.850474|5.220251|7.587859|4.135466|3.307231|5.478729|0.093249|5.149625|7.339181|17.401975|36.858105| |2.790825|3.467962|4.106071|5.390995|7.696341|4.321998|3.530924|5.556119|0.094372|4.855264|6.497300|10.470935|12.462364|36.858105| |2.545137|3.083828|3.834651|5.044321|6.404097|3.546431|3.004116|4.497538|0.078539|3.918653|5.302685|10.641242|12.358495|7.633299|36.858105| |2.156516|2.578915|2.935388|3.681234|5.425303|3.254278|2.678920|4.549026|0.080836|4.268427|5.185420|10.323563|12.190346|7.318184|7.733368|36.858105| |1.978157|2.329267|2.552712|3.079244|4.658861|2.966040|2.467938|4.302443|0.078353|3.981467|4.366956|7.336419|6.858007|5.904812|4.840835|12.254587|36.858105| |1.918212|2.224535|2.428911|2.854311|4.190419|2.713094|2.324590|3.840844|0.070600|3.353900|3.661103|5.757841|5.538516|5.855242|4.261307|7.399572|12.374141|36.858105| |1.725778|1.991239|2.161300|2.539697|3.766473|2.458470|2.096261|3.571317|0.066776|3.207698|3.404000|5.575255|4.783740|4.071660|3.924107|7.727610|12.358092|7.678301|36.858105| |2.059963|2.446624|2.602925|3.127072|5.006703|3.307161|2.684699|5.083264|0.093140|4.901406|4.894326|7.413213|5.743401|5.280532|4.010302|7.388301|12.452359|7.597704|7.663692|36.858105| |2.584554|3.195647|3.193125|3.828109|7.077434|5.290625|3.875531|10.519247|0.196026|12.903643|7.363754|7.912564|4.336437|3.971411|3.356731|4.072598|4.082928|3.324244|3.428104|5.479944|36.858105| |2.376894|2.850212|2.777254|3.193069|5.611168|4.398615|3.451565|8.430370|0.175272|7.649535|5.188238|5.888361|3.601910|3.513734|2.841232|3.514268|3.791887|3.235501|3.236449|5.304681|13.704714|36.858105| |2.039768|2.373703|2.321226|2.615424|4.361592|3.361380|2.787604|5.918387|0.126352|5.059599|3.884304|4.754202|3.033334|2.914059|2.475026|3.110536|3.449854|2.954280|3.135762|4.723102|7.895556|13.763140|36.858105| |1.899716|2.196579|2.179443|2.462590|4.024091|3.019258|2.527561|5.122682|0.107572|4.468835|3.606218|4.619452|2.928533|2.699018|2.441459|3.083971|3.352800|2.787191|3.203642|4.391295|6.835459|7.949037|13.757080|36.858105| |1.998253|2.339875|2.359642|2.715296|4.463656|3.260070|2.676556|5.489372|0.111784|5.051858|4.133743|5.407564|3.274860|2.882398|2.739126|3.431283|3.539405|2.836335|3.382618|4.476201|7.879308|6.877167|7.934805|13.748485|36.858105| |2.312444|2.792571|2.842423|3.376925|5.829832|4.181141|3.249361|7.325299|0.141923|7.629200|5.822994|7.269231|4.017601|3.454118|3.255052|3.986939|3.904115|3.078907|3.502634|4.955586|13.708145|7.989569|6.913415|7.985359|13.814989|36.858105| |2.374185|2.882442|3.024602|3.661168|6.134641|4.152684|3.253541|6.665129|0.124446|6.702021|6.087731|8.256637|4.307306|3.485917|3.647324|4.164202|3.745339|2.939126|3.410414|4.310674|7.942037|5.213361|4.602711|5.231153|8.022222|13.766068|73.516695| |2.545099|3.067924|3.168163|3.702167|5.990335|4.222688|3.444543|6.436952|0.124226|5.527060|5.157383|6.565466|3.546033|2.992741|3.228654|3.268288|2.911737|2.416797|2.679845|3.213666|5.619392|4.101762|3.661587|4.020395|5.425225|7.259773|21.039648|388.023441| |2.654249|3.214184|3.487930|4.154498|6.292411|4.122935|3.431011|5.732965|0.106327|4.850688|5.190365|7.132617|3.845439|3.144354|3.719522|3.425127|2.897887|2.421248|2.659870|3.039038|4.469165|3.387185|3.007718|3.213952|4.091883|5.225336|14.255730|95.400562|73.516695| |2.837932|3.447938|3.370457|3.813265|6.424049|5.023565|4.089990|8.095715|0.166401|6.172001|5.172688|5.896449|3.237864|2.891875|2.901729|2.919760|2.681917|2.291100|2.424223|3.035165|6.059058|4.517005|3.896955|4.053015|5.065558|6.721266|13.812661|95.031060|13.669783|73.516695| |2.103234|2.424089|2.471830|2.770884|4.263567|3.074951|2.663560|4.633697|0.093719|3.795870|3.539469|4.715293|2.789095|2.398704|2.608900|2.713342|2.496447|2.098636|2.410090|2.722520|4.151242|3.377005|3.277830|3.820067|5.095383|5.479862|12.790252|77.230286|12.978336|13.004888|36.858105| |1.911017|2.174597|2.260934|2.529705|3.762679|2.642281|2.325269|3.860821|0.076881|3.178792|3.106051|4.351100|2.668538|2.263413|2.573405|2.654965|2.414983|2.029912|2.394987|2.548379|3.408793|2.848344|2.801917|3.262399|4.211270|4.360892|10.122757|49.898981|11.327283|8.783346|13.716123|36.858105| |1.696536|1.893411|1.949436|2.139684|3.143243|2.239136|2.013284|3.261873|0.065937|2.627103|2.548798|3.554774|2.258954|1.957109|2.192244|2.282162|2.123249|1.815121|2.146178|2.231048|2.841360|2.480272|2.508001|2.933114|3.603880|3.515731|7.416013|33.876755|7.789218|6.797941|7.974356|13.800994|36.858105| |1.639513|1.813722|1.833248|1.986020|2.940104|2.145188|1.948206|3.162864|0.065290|2.495505|2.359635|3.207508|2.046471|1.812049|1.960602|2.061254|1.959376|1.695460|1.972039|2.093669|2.740809|2.456052|2.532401|2.976415|3.546330|3.341361|6.617027|30.155871|6.570366|6.575194|6.957214|7.974646|13.729534|36.858105| |1.755225|1.949660|1.939068|2.094626|3.157352|2.355050|2.132489|3.541514|0.074548|2.757011|2.529571|3.340192|2.096815|1.877316|1.974312|2.085459|1.999338|1.732930|1.977636|2.183329|3.076103|2.764238|2.859010|3.368492|4.007967|3.756911|7.189186|33.831964|6.832918|7.853987|7.973994|6.837083|7.877017|13.754734|36.858105| |1.996654|2.261807|2.245445|2.456936|3.788599|2.840327|2.515762|4.353564|0.091693|3.419630|3.072972|3.975676|2.412545|2.143072|2.239430|2.358956|2.237760|1.917332|2.167644|2.478902|3.841532|3.307041|3.322282|3.900107|4.905230|4.853935|9.575943|49.811133|8.866425|11.537054|13.738714|7.868854|6.836557|7.973975|13.773926|36.858105| |1.435090|1.562048|1.574403|1.683801|2.458056|1.798742|1.661642|2.624431|0.054355|2.043528|1.946543|2.656776|1.741647|1.564763|1.683255|1.769172|1.702750|1.498315|1.735373|1.801078|2.225845|2.056758|2.147085|2.483183|2.809494|2.613585|4.991335|21.772396|4.951667|4.953883|4.263749|4.789737|7.069109|11.013251|7.072439|4.788139|448.794386| |17.561608|8.916447|6.767838|4.656612|5.475298|4.340677|5.927670|4.626264|0.089318|2.912400|3.101687|3.703780|2.462485|2.575740|2.467425|2.057381|1.870902|1.802938|1.651426|1.930226|2.407827|2.195391|1.909006|1.804696|1.915031|2.204655|4.094344|17.909277|4.755247|4.932983|2.102592|1.925917|1.713092|1.650147|1.756540|1.988756|11.615243|0.500000| |17.560989|8.914201|6.750705|4.654961|5.484999|4.335842|5.923409|4.609093|0.088029|2.901473|3.102311|3.696512|2.537935|2.788035|2.503057|2.108458|1.941869|1.914530|1.691526|2.000539|2.387578|2.223850|1.920157|1.783835|1.862498|2.135991|3.877538|16.276518|4.254503|4.446943|1.914892|1.760004|1.572463|1.517032|1.612163|1.816671|10.746191|0.302154|0.500000| |17.614784|8.852650|5.536151|4.175598|5.413617|4.732184|7.246968|5.123051|0.102238|3.055762|3.102606|3.585350|2.377064|2.544143|2.289977|2.010563|1.875001|1.818794|1.645891|1.977824|2.535066|2.373236|2.047082|1.895028|1.972218|2.259886|4.060659|17.453712|4.439983|4.965272|2.055552|1.853076|1.657336|1.619802|1.748934|1.984475|11.424892|0.300961|0.300947|0.500000| |6.981061|8.762686|17.755454|9.114938|7.825672|5.032661|5.647801|5.095737|0.090984|3.462202|4.133200|5.126351|3.494134|3.706739|3.670051|2.717466|2.356193|2.270596|2.024237|2.351748|2.735337|2.414309|2.062902|1.956830|2.112867|2.494003|4.749374|19.933208|5.572005|5.180354|2.254603|2.102192|1.831682|1.717435|1.796641|2.050153|11.963979|0.192651|0.190940|0.139953|0.500000| |4.083801|5.589607|8.920702|17.869105|12.545922|5.807221|4.964068|6.158291|0.102678|4.779704|6.931534|9.486401|6.203352|6.017964|6.669940|4.139015|3.290745|3.033533|2.711221|3.203550|3.580064|2.981607|2.490234|2.383706|2.652270|3.267483|6.457313|25.527178|7.449173|6.230143|2.727779|2.554145|2.156518|1.973187|2.048293|2.380144|13.464414|0.108696|0.108400|0.095663|0.214383|0.500000| |6.904683|8.906330|5.605974|4.953396|7.730493|8.881286|17.756329|9.250843|0.191203|4.625163|4.322064|4.548461|2.849298|3.032423|2.588137|2.391335|2.254235|2.135752|1.942075|2.479777|3.629993|3.366056|2.759732|2.481247|2.578453|3.055269|5.312009|22.631788|5.467393|6.893364|2.541892|2.205405|1.935644|1.902168|2.103594|2.465315|13.117675|0.150950|0.150648|0.217546|0.123263|0.107812|0.500000| |2.649313|3.329948|3.851411|5.234693|8.398173|4.634143|3.544432|6.469455|0.109621|6.673888|9.545296|25.993821|8.988991|5.632819|6.979817|7.031520|5.003640|3.811134|4.104675|5.023809|5.676934|4.131930|3.462803|3.519084|4.323975|5.876916|13.544845|40.857591|11.605789|8.361800|4.025556|3.766244|2.985128|2.630646|2.709672|3.254617|17.190498|0.071020|0.069047|0.068017|0.094547|0.161261|0.085072|0.500000| |3.240951|4.126336|5.149555|6.963927|9.010305|4.847290|4.043403|5.782743|0.097144|4.738194|6.498252|9.394147|8.774440|17.569145|7.064112|5.387186|4.435907|4.424694|3.321934|4.171179|3.698788|3.262252|2.694839|2.492242|2.664364|3.205209|5.835326|20.972693|5.598310|5.164988|2.344146|2.200923|1.902852|1.766757|1.836624|2.100795|12.255660|0.082231|0.090856|0.080188|0.128085|0.217907|0.093657|0.143005|0.500000| |2.508024|3.001818|3.510176|4.318734|5.884201|3.501478|2.999770|4.533169|0.079627|3.830763|4.756961|7.601659|8.865910|17.614066|6.932727|6.815202|5.807198|6.616024|4.111125|4.771794|3.312357|3.032335|2.602600|2.430504|2.561001|2.963517|5.306460|18.434952|4.848081|4.433041|2.146085|2.056165|1.804097|1.672558|1.718321|1.932261|11.742423|0.064809|0.070723|0.063787|0.091463|0.134757|0.073140|0.125266|0.304223|0.500000| |2.761110|3.430618|3.845883|4.877767|7.616135|4.558011|3.647267|6.155427|0.104367|5.441518|6.691901|9.426721|8.710724|17.614128|5.500855|6.474737|6.184039|6.242291|4.124199|6.231367|4.487091|4.103629|3.309799|2.964670|3.090850|3.704188|6.316501|21.296610|5.381756|5.267996|2.404968|2.234255|1.940265|1.818086|1.904373|2.180685|12.603638|0.069779|0.076256|0.071258|0.094397|0.139058|0.088430|0.143818|0.301869|0.302180|0.500000| |2.364965|2.827464|3.441712|4.397650|5.706687|3.257592|2.775115|4.214675|0.074716|3.693426|4.811285|9.651099|8.748137|5.520026|17.553148|7.157569|4.518751|3.806059|3.927653|3.778697|3.273810|2.740430|2.431600|2.458583|2.815709|3.320479|6.888395|24.452998|7.279858|5.285875|2.812673|2.844103|2.400868|2.106736|2.091804|2.366067|14.440418|0.064621|0.063894|0.059574|0.092016|0.155262|0.067226|0.206261|0.142706|0.141439|0.122512|0.500000| |2.331333|2.748716|3.352310|4.154499|5.243617|3.046515|2.657100|3.889768|0.069210|3.303021|4.209490|7.638844|8.751689|6.940574|17.577175|7.034449|4.716643|4.463959|3.913410|3.729267|2.913419|2.552132|2.261712|2.224678|2.446293|2.820870|5.465653|19.477960|5.479583|4.439116|2.290668|2.279714|1.982563|1.785749|1.789552|1.999295|12.498479|0.062771|0.064727|0.058548|0.091382|0.145149|0.064600|0.141879|0.175062|0.207268|0.140522|0.301845|0.500000| |2.878780|3.531466|4.654520|6.292849|7.158970|3.844347|3.316842|4.646068|0.080608|3.886257|5.352643|9.615704|8.692458|6.920321|17.591852|5.533808|3.922601|3.587418|3.238583|3.460014|3.209179|2.716858|2.347177|2.296966|2.566197|3.067611|6.130947|22.799572|6.703872|5.229612|2.560198|2.502226|2.131055|1.915562|1.939613|2.207272|13.205100|0.077949|0.078783|0.070460|0.126145|0.264045|0.077825|0.172053|0.211182|0.169677|0.141342|0.302454|0.302783|0.500000| |2.022768|2.375063|2.722264|3.328451|4.677573|2.842239|2.414768|3.885966|0.070068|3.475178|4.159722|7.748007|8.920067|6.307795|7.903399|17.553542|8.999152|7.082386|7.197004|5.499802|3.307773|2.932678|2.655041|2.647316|2.906318|3.274498|6.143242|20.228548|5.397329|4.533387|2.429343|2.423903|2.116753|1.908281|1.908826|2.125301|13.337270|0.053990|0.055477|0.052218|0.071692|0.105761|0.060165|0.150893|0.135764|0.185414|0.148250|0.205760|0.236896|0.152388|0.500000| |2.089372|2.491418|2.815004|3.512339|5.224193|3.168282|2.603116|4.496597|0.080675|4.281563|5.079001|10.289594|8.953367|5.499031|6.836530|17.516230|8.872744|5.488478|7.493201|6.627881|4.243945|3.546733|3.200088|3.300053|3.829335|4.452939|8.697387|26.240726|6.920012|5.611838|3.077928|3.060396|2.590950|2.298212|2.302082|2.613288|15.638693|0.055928|0.056114|0.054320|0.072369|0.109036|0.064880|0.230422|0.123622|0.138965|0.140089|0.206522|0.163533|0.141351|0.306926|0.500000| |1.845600|2.119390|2.342888|2.731030|3.880307|2.493267|2.173011|3.452776|0.063633|2.958092|3.293353|5.270265|5.235368|5.429901|4.411236|6.915082|8.723444|17.537359|6.844428|5.499135|2.885046|2.768855|2.550863|2.448476|2.521951|2.728481|4.763387|16.020123|4.090597|3.768076|1.974125|1.935792|1.739222|1.615523|1.635983|1.796719|11.535088|0.048538|0.051485|0.048331|0.061848|0.082163|0.055334|0.098399|0.117617|0.184891|0.146709|0.109318|0.136843|0.101910|0.218311|0.143883|0.500000| |1.767582|2.023059|2.168687|2.495816|3.677846|2.450615|2.126944|3.515438|0.065872|3.015801|3.164977|4.789734|4.264438|4.483224|3.438461|5.444442|8.803500|17.552096|7.224796|6.848232|3.086145|3.115324|2.935749|2.762375|2.736043|2.877416|4.788080|15.843133|3.909130|3.784382|1.974358|1.910326|1.729718|1.630478|1.667850|1.828402|11.673009|0.046176|0.049012|0.047003|0.056459|0.072480|0.055085|0.090226|0.100139|0.136246|0.136237|0.087832|0.099276|0.082807|0.145948|0.124231|0.302429|0.500000| |2.079118|2.427160|2.646553|3.111439|4.584852|2.969013|2.540435|4.161873|0.075792|3.581678|3.934513|5.951261|5.721511|7.105036|4.283951|6.432682|8.657449|17.605423|5.519364|6.950586|3.428171|3.367791|2.984217|2.736319|2.761301|3.054343|5.138798|17.157891|4.292500|4.148111|2.063954|1.971134|1.757227|1.651249|1.702830|1.895778|11.692403|0.053680|0.058012|0.054661|0.068245|0.090749|0.064541|0.105105|0.145204|0.229269|0.229365|0.102398|0.123329|0.103475|0.165095|0.133739|0.301535|0.303796|0.500000| |1.715210|1.981897|2.144655|2.524616|3.774304|2.471488|2.097118|3.628442|0.068176|3.298933|3.456718|5.694295|4.558331|3.710358|3.810562|7.024099|8.713944|5.524085|17.541068|6.953603|3.629009|3.346958|3.301155|3.519703|3.846394|3.908648|6.873417|21.010212|5.172443|4.635332|2.694527|2.707725|2.414687|2.195182|2.184524|2.394844|15.368720|0.045849|0.046307|0.045526|0.055641|0.074680|0.054061|0.122418|0.086302|0.100466|0.103760|0.110503|0.102033|0.088040|0.173790|0.227096|0.139788|0.144865|0.122331|0.500000| |1.623613|1.855277|1.983588|2.291165|3.407266|2.277327|1.963039|3.336944|0.063328|2.936935|3.019265|4.708651|3.903715|3.542067|3.252656|5.546514|8.754065|7.046597|17.553706|7.002337|3.201479|3.154701|3.148343|3.190936|3.234178|3.236308|5.428535|17.333490|4.227781|3.993662|2.230848|2.203907|2.006394|1.871594|1.885359|2.046839|13.377404|0.043048|0.044307|0.043341|0.051651|0.066861|0.051100|0.095386|0.081966|0.100090|0.102763|0.089464|0.090691|0.077105|0.145566|0.148024|0.169160|0.220380|0.144003|0.301782|0.500000| |1.656999|1.895716|2.076560|2.421723|3.496060|2.269121|1.964620|3.226362|0.060376|2.832952|3.068042|5.064628|4.501878|3.846925|3.972124|7.071482|8.715785|6.963899|17.543082|5.523141|2.939520|2.761364|2.666871|2.726144|2.891886|3.007333|5.362188|17.447079|4.428776|3.936612|2.226210|2.247211|2.028974|1.853897|1.839823|1.998199|13.223989|0.044285|0.045367|0.043704|0.054741|0.072823|0.050469|0.103872|0.088450|0.112147|0.104022|0.111587|0.114921|0.090197|0.218792|0.187169|0.203897|0.178506|0.140209|0.301511|0.302008|0.500000| |2.289903|2.766451|2.926087|3.554454|5.895746|3.899531|3.086418|6.074527|0.108524|5.968248|5.877748|8.224078|6.160207|6.268763|4.119307|6.604923|8.725767|6.816843|5.513834|17.581300|6.247885|6.102565|4.908888|4.264776|4.299781|5.033066|7.660923|23.417640|5.523997|5.717220|2.704917|2.482592|2.160584|2.041676|2.156543|2.477519|14.052110|0.058808|0.061755|0.061035|0.072178|0.098957|0.078572|0.143814|0.136411|0.147841|0.232977|0.104027|0.104736|0.101620|0.138400|0.158457|0.140161|0.165388|0.204197|0.141131|0.141977|0.122474|0.500000| |1.894435|2.209316|2.311008|2.697990|4.249894|2.906003|2.423926|4.475708|0.084545|4.077982|3.924979|5.675213|4.381949|4.265423|3.303499|5.422187|8.815200|7.012802|7.016658|17.543004|4.682491|4.979169|4.774313|4.359879|4.147341|4.278015|6.487599|20.042340|4.688820|4.812780|2.470726|2.320237|2.073750|1.973371|2.060062|2.301964|13.833192|0.049295|0.051338|0.051004|0.058491|0.075965|0.063319|0.108948|0.097384|0.112028|0.139392|0.087155|0.087714|0.080935|0.124070|0.138575|0.141495|0.207673|0.176299|0.172243|0.211893|0.142381|0.302762|0.500000| |2.047573|2.437359|2.580609|3.108088|5.051363|3.359241|2.698809|5.297892|0.097871|5.311912|5.096421|7.738843|5.373761|4.570877|3.884550|6.757942|8.776673|5.502749|6.996835|17.581882|6.561114|5.955100|5.445562|5.409567|5.836173|6.462022|9.605795|26.580567|6.107057|6.112565|3.162497|2.937997|2.538626|2.369463|2.477393|2.845466|16.096521|0.053698|0.054590|0.054769|0.064522|0.088105|0.069448|0.156367|0.104949|0.112449|0.142306|0.105968|0.097577|0.093740|0.139618|0.196240|0.122607|0.141066|0.140409|0.209372|0.173298|0.141735|0.301641|0.302281|0.500000| |2.497738|2.992593|2.865028|3.244936|5.698090|4.622251|3.675425|8.807364|0.185035|7.078862|4.985451|5.518017|3.493868|3.608077|2.759481|3.325506|3.616021|3.241529|3.023050|4.939335|8.925665|17.717455|8.932370|5.653837|4.954343|5.668078|7.480905|24.999552|5.375616|6.994636|2.906015|2.493790|2.195876|2.177109|2.430472|2.856739|14.888210|0.063062|0.065377|0.069762|0.068852|0.082873|0.100824|0.103644|0.094209|0.086646|0.120750|0.072452|0.069607|0.074158|0.078147|0.090162|0.076812|0.087006|0.096792|0.084303|0.082584|0.072605|0.167866|0.131830|0.140936|0.500000| |1.916275|2.193290|2.127732|2.355724|3.844729|2.988776|2.555230|5.096825|0.110215|4.121619|3.299262|4.076270|2.690779|2.652022|2.228874|2.769738|3.124393|2.780756|2.876861|4.163475|5.632362|8.931602|17.739226|8.912066|5.644227|4.974675|6.496957|21.678219|4.579935|5.791573|2.797746|2.440307|2.231373|2.274765|2.549438|2.877415|15.869130|0.049702|0.050491|0.053806|0.052962|0.062299|0.071258|0.081599|0.068465|0.066985|0.083885|0.060483|0.057437|0.058950|0.066974|0.077850|0.066897|0.078447|0.078422|0.082524|0.082177|0.068686|0.120056|0.123079|0.125722|0.215793|0.500000| |1.720606|1.957677|1.941439|2.164034|3.449909|2.584526|2.220809|4.243915|0.089556|3.569491|3.004372|3.926721|2.562961|2.377213|2.185498|2.736339|2.998195|2.543754|2.971579|3.773665|4.934042|5.650127|8.912258|17.736701|8.935680|5.672487|7.519754|24.397806|5.003923|6.084600|3.449642|3.037325|2.831764|2.929001|3.280608|3.615479|20.171404|0.045636|0.045101|0.047816|0.048974|0.058552|0.060994|0.083306|0.061183|0.060538|0.071786|0.061446|0.056051|0.057138|0.066685|0.081226|0.062774|0.071212|0.068726|0.090771|0.083941|0.071062|0.099743|0.107710|0.124690|0.124262|0.214532|0.500000| |1.858459|2.149538|2.184588|2.493630|3.978898|2.869514|2.411034|4.633739|0.094105|4.123716|3.587582|4.873393|3.012106|2.614127|2.604196|3.206554|3.248729|2.613950|3.240260|3.875337|5.634141|4.956772|5.634109|8.866362|17.747723|8.972234|13.113076|37.935595|7.261410|8.271839|5.717493|4.907693|4.265485|4.175117|4.611505|5.462055|25.969402|0.050012|0.048195|0.050829|0.055033|0.068550|0.064500|0.111266|0.067432|0.065462|0.076147|0.075904|0.064967|0.067639|0.077075|0.101681|0.065769|0.070235|0.069729|0.104838|0.085808|0.078269|0.100936|0.100596|0.137260|0.107592|0.123831|0.213897|0.500000| |1.943099|2.223032|2.361174|2.675898|3.916689|2.672784|2.341786|3.828230|0.074646|3.199323|3.250555|4.726148|2.906985|2.407979|2.866445|2.892031|2.557417|2.133626|2.540691|2.633306|3.334563|2.754245|2.663624|3.044376|3.899700|4.186860|10.161866|47.524568|12.810622|8.098304|8.889084|17.752775|8.930650|5.659963|4.936280|5.617698|31.677183|0.054569|0.049927|0.051760|0.061369|0.076579|0.060824|0.116780|0.064933|0.060818|0.064990|0.090309|0.069958|0.077019|0.073793|0.094258|0.056998|0.055228|0.057260|0.080147|0.063924|0.066892|0.070892|0.065773|0.083971|0.067574|0.064578|0.078206|0.122909|0.500000| |1.588034|1.759524|1.825442|1.996912|2.888836|2.039456|1.848238|2.932831|0.058922|2.359254|2.328640|3.301326|2.144338|1.856762|2.114511|2.187491|2.030188|1.745864|2.080437|2.095311|2.521196|2.226019|2.252281|2.604378|3.125410|3.050012|6.361730|27.929080|6.798804|5.702616|5.656737|8.919947|17.760813|8.911914|5.626625|4.936569|54.016998|0.044683|0.041159|0.042948|0.048117|0.056473|0.049249|0.076726|0.050089|0.048006|0.050782|0.064813|0.053618|0.056919|0.057155|0.068994|0.046878|0.046283|0.046697|0.065006|0.054014|0.055294|0.055989|0.054308|0.065576|0.055336|0.056292|0.070560|0.101496|0.214537|0.500000| |1.675651|1.841310|1.810734|1.933637|2.908613|2.200133|2.018713|3.313332|0.070768|2.530994|2.303209|3.011864|1.914093|1.740847|1.798709|1.904040|1.848739|1.622167|1.828588|2.026915|2.825877|2.617921|2.747205|3.196598|3.618626|3.338003|6.113313|27.890170|5.742078|6.873187|5.657461|4.936798|5.625517|8.919832|17.760158|8.911288|54.025730|0.046490|0.042827|0.046771|0.046695|0.052215|0.056018|0.066723|0.047413|0.044468|0.049338|0.052427|0.045645|0.049217|0.048607|0.057654|0.042510|0.043663|0.044430|0.055591|0.048913|0.047294|0.055833|0.053752|0.063212|0.064625|0.069308|0.088316|0.112557|0.107300|0.124071|0.500000| 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