Version2.0 2020-01-14T15:22:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 16-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](CC(=O)Nc1ccccc1Sc2ccccc2)CC(=O)Nc3ccccc3Sc4ccccc4 C14066549 RHF 6-31G(d) (6D,7F) C[NH+](CC(=O)Nc1ccccc1Sc2ccccc2)CC(=O)Nc3ccccc3Sc4ccccc4 C01[X(C29H28N3O2S2)] 186 C1 604 C[NH+](CC(=O)Nc1ccccc1Sc1ccccc1)CC(=O)Nc1ccccc1Sc1ccccc1 C[NH+](CC(=O)Nc1ccccc1Sc1ccccc1)CC(=O)Nc1ccccc1Sc1ccccc1 C[NH+](CC(=O)Nc1ccccc1Sc2ccccc2)CC(=O)Nc3ccccc3Sc4ccccc4 InChIKey=KCTODZSTTSVTHK-UHFFFAOYSA-O InChI=1S/C29H27N3O2S2/c1-32(20-28(33)30-24-16-8-10-18-26(24)35-22-12-4-2-5-13-22)21-29(34)31-25-17-9-11-19-27(25)36-23-14-6-3-7-15-23/h2-19H,20-21H2,1H3,(H,30,33)(H,31,34)/p+1 InChI=1/C29H27N3O2S2/c1-32(20-28(33)30-24-16-8-10-18-26(24)35-22-12-4-2-5-13-22)21-29(34)31-25-17-9-11-19-27(25)36-23-14-6-3-7-15-23/h2-19H,20-21H2,1H3,(H,30,33)(H,31,34)/p+1/fC29H28N3O2S2/h30-32H/q+1 C[NH+](CC(=O)Nc1ccccc1Sc2ccccc2)CC(=O)Nc3ccccc3Sc4ccccc4 C01[X(C29H28N3O2S2)] 186 C01 604 C[NH+](CC(=O)Nc1ccccc1Sc1ccccc1)CC(=O)Nc1ccccc1Sc1ccccc1 C[NH](CC(=O)Nc1ccccc1Sc1ccccc1)CC(=O)Nc1ccccc1Sc1ccccc1 C[NH](CC(=O)Nc1ccccc1Sc2ccccc2)CC(=O)Nc3ccccc3Sc4ccccc4 InChIKey=CACKQFVELKYULS-UHFFFAOYSA-N InChI=1S/C29H28N3O2S2/c1-32(20-28(33)30-24-16-8-10-18-26(24)35-22-12-4-2-5-13-22)21-29(34)31-25-17-9-11-19-27(25)36-23-14-6-3-7-15-23/h2-19,32H,20-21H2,1H3,(H,30,33)(H,31,34) InChI=1/C29H28N3O2S2/c1-32(20-28(33)30-24-16-8-10-18-26(24)35-22-12-4-2-5-13-22)21-29(34)31-25-17-9-11-19-27(25)36-23-14-6-3-7-15-23/h2-19,32H,20-21H2,1H3,(H,30,33)(H,31,34)/f/h30-31H 3687.8462848380 -2222.4182588 1-A 40368.3926 135 469 604 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.04082 -92.04076 -20.67649 -20.67476 -15.84567 -15.72994 -15.72908 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1.00783 9442.3107 67388.7017 73614.6532 1.00000 -0.00010 0.00251 0.00010 1.00000 -0.00115 -0.00251 0.00115 1.00000 1 0.00917 0.00129 0.00118 0.19113 0.02678 0.02452 4.84 6.78 16.42 23.32 32.79 37.30 39.34 59.46 63.18 82.32 88.01 97.64 114.83 119.09 133.51 165.23 221.99 246.14 256.18 285.12 303.49 318.72 323.88 358.38 387.37 418.70 439.91 450.70 457.28 472.14 490.08 580.75 622.00 623.66 626.71 635.29 651.68 652.62 693.57 706.06 722.96 723.17 726.40 740.03 804.39 808.53 841.84 846.54 904.38 909.77 936.03 967.98 972.19 972.35 1019.45 1043.63 1070.68 1085.19 1096.86 1099.10 1106.58 1107.24 1152.50 1165.66 1175.69 1189.12 1218.48 1219.77 1240.57 1243.07 1299.64 1304.32 1365.41 1372.29 1373.33 1428.40 1433.30 1494.94 1504.65 1508.03 1525.58 1529.95 1566.98 1567.32 1572.38 1573.03 1574.76 1589.86 1591.03 1601.58 1614.41 1614.88 1630.24 1632.86 1634.64 1635.73 1642.33 1642.39 1677.93 1678.43 1699.93 1700.23 1722.12 1728.92 1729.14 1740.90 1740.98 1752.37 1753.42 1794.03 1802.88 1806.31 1847.90 1874.68 1875.19 1891.04 1902.38 1905.84 1906.35 1917.90 1918.06 1977.27 2006.78 2036.34 2070.44 2071.96 2095.72 2105.43 2109.58 2110.64 2242.50 2274.23 2296.83 2310.80 2311.14 2320.52 2321.42 2322.93 2336.51 2351.05 2353.51 2355.44 2367.80 2381.08 2381.72 2392.53 2491.26 2498.36 2557.26 2557.89 2573.56 2574.66 2577.68 2578.99 2591.69 2594.00 2798.66 2809.61 4701.19 4705.57 4715.23 4789.43 4797.90 4843.57 4845.07 4854.86 4855.53 4856.54 4862.49 4862.54 4868.86 4870.15 4879.29 4880.52 4881.59 4882.40 4882.84 4891.39 4891.96 4899.16 4899.39 4957.50 4971.20 5117.66 5475.34 5488.59 0.556002 0.587041 0.587985 0.482453 -2221.862256 -2221.831218 -2221.830274 -2221.935805 3.539527D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2020 DUDE C[NH+](CC(=O)Nc1ccccc1Sc2ccccc2)CC(=O)Nc3ccccc3Sc4ccccc4 C14066549 RHF 6-31G(d) (6D,10F) C1 514.162296 |X|Y|Z| 66.212889 32.790395 186.839812 74.026327 33 6 7 16 28 3 2 |36.858105| |12.717058|53.358707| |9.431845|25.454426|0.500000| |7.706070|17.440756|0.260748|36.858105| |6.142957|10.605979|0.218740|12.417287|36.858105| |6.070518|9.969505|0.249562|8.112267|15.861131|73.516695| |4.565784|7.124380|0.141488|7.916634|14.291922|14.850026|53.358707| |3.552311|5.270843|0.109205|5.023993|7.668640|11.394231|18.225271|36.858105| |3.368453|4.848173|0.104821|4.211554|6.318861|11.503379|10.541831|13.710763|36.858105| |2.720824|3.855140|0.082847|3.236024|4.340998|7.930565|6.981475|7.948992|13.776282|36.858105| |2.400733|3.415935|0.071865|2.907160|3.691772|6.395174|6.173399|6.857242|7.918990|13.759437|36.858105| |2.465402|3.555784|0.073274|3.138740|3.914947|6.382457|7.030370|7.930474|6.875214|7.975541|13.792525|36.858105| |2.914903|4.287343|0.087077|4.005230|5.178722|7.836051|10.733932|13.628676|7.886203|6.863701|7.905089|13.716077|36.858105| |2.773095|4.130794|0.080888|3.954064|4.471572|6.485052|8.649746|6.846994|4.675809|4.171582|4.697513|6.901009|10.633264|388.023441| |2.457192|3.484266|0.067730|3.160030|3.458894|5.235536|6.150608|4.896587|3.795092|3.602931|4.170899|5.780379|6.783554|75.658729|36.858105| |2.579195|3.528892|0.068141|3.145395|3.450918|5.267590|6.015244|4.704402|3.789373|3.568506|3.969186|5.051027|5.798173|48.599985|13.701501|36.858105| |2.257129|3.036642|0.058779|2.609180|2.794247|4.397645|4.590262|3.555239|3.063274|2.982468|3.308287|3.947994|4.166461|33.311471|7.939747|13.782099|36.858105| |1.971035|2.685812|0.052256|2.283680|2.411610|3.837781|3.887351|3.016507|2.637611|2.622342|2.963175|3.527899|3.585160|29.694519|6.870278|7.931403|13.721634|36.858105| |1.915905|2.667056|0.052085|2.290207|2.414768|3.825632|3.923524|3.064354|2.638419|2.633977|3.040768|3.745476|3.782361|33.587371|7.934478|6.869611|7.941768|13.775703|36.858105| |2.100182|2.980935|0.058256|2.626367|2.802018|4.358979|4.708566|3.717454|3.065386|3.017751|3.540200|4.664812|4.890718|49.592684|13.740795|7.921008|6.872213|7.933027|13.725986|36.858105| |7.701745|17.438787|0.260715|7.645954|5.075853|8.569805|5.332853|3.076436|2.837121|2.356289|2.142045|2.240236|2.640473|18.810852|2.262723|2.261885|1.985068|1.790920|1.792115|1.986817|36.858105| |6.179375|10.613626|0.218052|5.068957|4.038893|7.458373|4.345305|2.651820|2.550817|2.164158|1.952594|1.997547|2.287860|15.912117|1.947250|1.952447|1.741073|1.583666|1.581443|1.734097|12.417756|36.858105| |6.100421|9.964270|0.248233|4.809385|4.191603|8.322032|4.420246|2.748011|2.722436|2.301858|2.039824|2.051547|2.329956|15.728715|1.921684|1.932333|1.721178|1.561209|1.555994|1.706363|8.112120|15.862300|73.516695| |4.591066|7.128972|0.141211|3.913771|3.192377|5.777446|3.614882|2.258850|2.170303|1.883076|1.725365|1.769390|2.000250|14.152463|1.759699|1.761148|1.591549|1.462627|1.462348|1.589861|7.909511|14.295873|14.865771|53.358707| |3.613411|5.290752|0.109151|3.071182|2.650439|4.888804|3.071808|1.975349|1.930714|1.705151|1.565388|1.589403|1.766195|12.402230|1.561262|1.564376|1.429028|1.322050|1.320607|1.424631|5.019363|7.688190|11.460283|18.214585|36.858105| |3.293078|4.825687|0.104712|2.844183|2.558925|4.853359|2.965229|1.939790|1.929965|1.715522|1.564173|1.570024|1.727833|11.935833|1.498861|1.498659|1.369350|1.268830|1.269272|1.369838|4.223864|6.313918|11.449126|10.559107|13.714714|36.858105| |2.701186|3.851750|0.082866|2.359570|2.169192|4.102887|2.569618|1.711125|1.713937|1.547020|1.418943|1.417898|1.541706|10.651357|1.352591|1.353660|1.247834|1.162889|1.162480|1.246312|3.241558|4.344726|7.938872|6.986717|7.951071|13.783528|36.858105| |2.449176|3.432988|0.071954|2.139642|1.952455|3.631556|2.346396|1.565170|1.557131|1.413823|1.308241|1.313419|1.424905|9.949227|1.276295|1.279994|1.188121|1.111299|1.109176|1.182444|2.907335|3.701855|6.435083|6.177810|6.866909|7.926603|13.752973|36.858105| |2.573243|3.589826|0.073375|2.231740|1.992695|3.647645|2.398603|1.584016|1.557971|1.408399|1.309257|1.324946|1.446435|10.215403|1.314230|1.320281|1.226511|1.146547|1.142957|1.217184|3.132185|3.929606|6.441488|7.028295|7.937127|6.875460|7.967113|13.793977|36.858105| |3.068485|4.337235|0.087189|2.628097|2.280945|4.141229|2.709873|1.759392|1.713708|1.530913|1.419958|1.445980|1.596312|11.331923|1.447329|1.453925|1.341565|1.247960|1.244243|1.331662|3.992304|5.205151|7.923406|10.724682|13.643962|7.885944|6.858369|7.907962|13.713126|36.858105| |3.036712|4.221805|0.081213|2.626579|2.226847|3.931110|2.686733|1.731007|1.659735|1.482794|1.389298|1.430503|1.587228|11.486547|1.481688|1.493005|1.384030|1.289115|1.282408|1.366751|3.938364|4.512055|6.582480|8.668373|6.863260|4.680271|4.169198|4.692340|6.882836|10.631090|388.023441| |2.416980|3.429009|0.066776|2.230768|1.925100|3.381697|2.370039|1.548419|1.482359|1.340247|1.268739|1.309574|1.441195|10.526019|1.362059|1.360346|1.268599|1.194961|1.196645|1.271918|3.099645|3.401085|5.170667|6.029693|4.840859|3.767835|3.599425|4.203675|5.873163|6.782931|75.707306|36.858105| |2.303288|3.366450|0.066135|2.224497|1.923418|3.372417|2.375310|1.555326|1.484779|1.344718|1.277076|1.321310|1.453492|10.659127|1.367027|1.352014|1.256404|1.188984|1.199627|1.281264|3.057867|3.324164|5.072051|5.805388|4.577055|3.706787|3.524550|3.967276|5.086606|5.730658|48.679845|13.698889|36.858105| |1.982142|2.884038|0.056956|1.949441|1.712440|2.997719|2.144528|1.420006|1.356870|1.240022|1.185646|1.227210|1.340255|9.867873|1.273129|1.254888|1.172850|1.117915|1.131173|1.203553|2.537250|2.698024|4.236101|4.457780|3.483480|3.009116|2.957236|3.322496|3.991717|4.142746|33.340300|7.939483|13.783115|36.858105| |1.815590|2.590209|0.051051|1.759692|1.559466|2.729942|1.967480|1.310814|1.255738|1.153676|1.106021|1.143191|1.242403|9.147290|1.193448|1.181996|1.112694|1.062914|1.071639|1.132457|2.231128|2.354401|3.747374|3.809271|2.983242|2.615062|2.621755|2.997436|3.587778|3.587224|29.705499|6.872013|7.932630|13.720396|36.858105| |1.869880|2.618902|0.051350|1.763383|1.560757|2.735273|1.965085|1.307028|1.254511|1.151055|1.100841|1.135895|1.235097|9.066631|1.190627|1.187984|1.121533|1.067585|1.069961|1.126479|2.247800|2.381250|3.786166|3.870200|3.051099|2.634592|2.649642|3.091183|3.827401|3.803015|33.574540|7.934268|6.868158|7.939027|13.775225|36.858105| |2.132216|2.963812|0.057775|1.958406|1.715083|3.010792|2.137328|1.409846|1.353320|1.233157|1.172600|1.208900|1.321538|9.663732|1.265692|1.268790|1.193362|1.128385|1.126715|1.188758|2.585527|2.780002|4.349916|4.659606|3.713318|3.070267|3.040840|3.600411|4.778200|4.933257|49.543468|13.739206|7.918927|6.870600|7.934041|13.725694|36.858105| |17.639303|12.295399|0.181730|6.957237|5.259822|8.588339|5.791578|3.318917|3.065695|2.521971|2.276885|2.375320|2.812898|19.706779|2.508264|2.660943|2.345874|2.042736|1.972445|2.147176|6.965783|5.302980|8.639813|5.842227|3.386967|3.001815|2.506122|2.329985|2.497025|2.987834|22.085536|2.467303|2.326490|2.004816|1.849321|1.918006|2.193512|0.500000| |17.682490|12.329762|0.227232|7.160200|6.966651|12.817399|6.999161|4.036979|3.919429|3.092648|2.667425|2.704597|3.203900|20.844500|2.609983|2.783476|2.416422|2.080068|2.005496|2.200005|5.621457|4.811295|9.033808|5.068468|3.083385|2.912466|2.448455|2.217059|2.290327|2.655242|18.499840|2.129640|2.043345|1.786496|1.647824|1.692193|1.905648|0.297794|0.500000| |17.684283|12.324091|0.227522|5.622924|4.799642|9.024274|5.053293|3.043635|2.976323|2.468278|2.178220|2.204943|2.542667|17.134946|2.161042|2.259827|2.012696|1.778775|1.730163|1.878802|7.138155|7.018051|12.942641|7.042995|4.139503|3.776407|3.055759|2.745169|2.876429|3.451147|23.564099|2.562438|2.407357|2.052017|1.881738|1.952942|2.252250|0.297771|0.300963|0.500000| |7.342762|12.306390|0.182359|17.627161|8.663555|10.698457|9.798441|4.697175|3.852109|3.035497|2.793510|3.070337|3.929897|29.101678|3.390833|3.448730|2.852562|2.465769|2.445877|2.788957|6.521498|4.401510|7.216023|4.888534|2.850001|2.595505|2.187469|2.021394|2.134970|2.510065|18.431833|2.203807|2.174773|1.914041|1.744039|1.759584|1.954756|0.218063|0.188719|0.146239|0.500000| |5.632562|12.336325|0.211664|17.612400|8.903611|11.565199|9.277723|4.638915|3.852344|3.047656|2.799785|3.062798|3.885990|28.499388|3.098020|2.973539|2.476511|2.213526|2.264233|2.624169|7.433503|4.936874|8.095373|5.348187|3.075246|2.845384|2.359717|2.140343|2.233442|2.631879|18.704586|2.281390|2.321334|2.040118|1.821714|1.802994|1.987399|0.146504|0.143226|0.126534|0.301065|0.500000| |4.284160|6.668290|0.125764|7.710512|9.523227|10.828380|25.965944|9.347430|5.773399|4.300469|4.080604|4.907887|7.619316|55.688529|5.259839|5.007751|3.702866|3.125804|3.185264|3.906867|3.857772|3.064799|5.375931|3.539296|2.198622|2.092508|1.818784|1.677889|1.731335|1.962270|14.084007|1.757817|1.763982|1.596839|1.466565|1.463573|1.588298|0.116833|0.128117|0.096630|0.222255|0.195397|0.500000| |3.775920|5.374740|0.120356|4.454396|6.913579|14.754410|9.617274|8.913240|17.817900|8.939972|5.648135|4.961004|5.626966|27.538014|3.225468|3.281366|2.727149|2.358814|2.337212|2.661222|3.060784|2.798157|5.442516|3.186730|2.082984|2.099263|1.853068|1.668260|1.660619|1.829291|12.452955|1.548096|1.544618|1.402953|1.296199|1.298428|1.408200|0.092289|0.125580|0.093344|0.109851|0.110091|0.144454|0.500000| |2.557185|3.574214|0.077740|2.892580|3.768657|7.198266|5.662046|5.660280|8.969999|17.730465|8.914406|5.661342|4.948219|24.014701|3.016722|3.031221|2.625280|2.337003|2.328763|2.602721|2.206523|2.070626|3.960196|2.462960|1.657713|1.684125|1.529283|1.394699|1.380025|1.489385|10.178521|1.294585|1.296721|1.197445|1.116526|1.115306|1.194125|0.065424|0.080707|0.065679|0.075139|0.075630|0.098437|0.216695|0.500000| |2.125236|3.000426|0.063137|2.498843|3.063220|5.380781|4.916302|4.945305|5.636782|8.900415|17.736407|8.935203|5.635138|27.690214|3.652332|3.492896|3.049392|2.807742|2.884690|3.261239|1.914763|1.767435|3.281663|2.148284|1.446106|1.450338|1.326790|1.227409|1.225126|1.319653|9.174419|1.185496|1.193760|1.113887|1.042662|1.037362|1.100739|0.056254|0.065000|0.054270|0.067061|0.067312|0.092469|0.124188|0.214225|0.500000| |2.206680|3.173564|0.064866|2.771556|3.295561|5.368315|5.709983|5.650093|4.955249|5.662174|8.931422|17.743754|8.954997|47.225123|6.208650|5.078700|4.112183|3.858005|4.279892|5.436427|2.043638|1.827953|3.309688|2.231740|1.480363|1.458818|1.325400|1.235157|1.248346|1.357515|9.603161|1.246531|1.260094|1.177234|1.099854|1.091146|1.155728|0.059780|0.066260|0.055238|0.076378|0.076185|0.116117|0.107696|0.124311|0.215325|0.500000| |2.956094|3.980211|0.076507|3.584832|4.032074|6.068520|7.188194|5.515006|4.367849|3.935603|4.166033|5.115484|6.245749|46.112967|8.890398|17.727131|8.932814|5.644596|4.951006|5.636686|2.484455|2.129547|3.764478|2.583289|1.675411|1.603863|1.440427|1.356561|1.399135|1.547558|11.267751|1.427632|1.412403|1.302149|1.224261|1.234545|1.326730|0.084616|0.090524|0.070859|0.110392|0.091182|0.164319|0.105459|0.092075|0.099069|0.132290|0.500000| |2.259573|2.974822|0.057531|2.507744|2.675523|4.266665|4.283647|3.278221|2.912261|2.831947|3.055372|3.481270|3.650101|27.546910|5.648395|8.941017|17.722150|8.903254|5.647697|4.951974|1.941290|1.714379|3.019577|2.136496|1.414337|1.354804|1.237519|1.180856|1.219689|1.331759|9.782930|1.255773|1.236142|1.152637|1.097587|1.111612|1.185439|0.065569|0.067589|0.056223|0.076428|0.065228|0.094078|0.073426|0.070478|0.078876|0.098055|0.215849|0.500000| |1.812653|2.450151|0.047761|2.047033|2.143927|3.457266|3.376449|2.602145|2.332049|2.336066|2.607490|2.998284|3.002890|24.033599|4.951303|5.645507|8.907205|17.726512|8.922924|5.643342|1.647727|1.470523|2.577533|1.861109|1.243898|1.194583|1.100553|1.055840|1.089433|1.180685|8.688407|1.136444|1.128228|1.064388|1.016621|1.022997|1.078749|0.052279|0.052954|0.045857|0.061215|0.055093|0.074401|0.058762|0.058852|0.069822|0.090348|0.124200|0.214750|0.500000| |1.737924|2.425024|0.047531|2.055520|2.148072|3.441817|3.419242|2.657710|2.333444|2.351234|2.703758|3.243656|3.214361|27.844153|5.648778|4.950954|5.644810|8.917289|17.726411|8.925676|1.649427|1.467403|2.564461|1.860592|1.241786|1.195279|1.099970|1.052626|1.083976|1.175105|8.616383|1.139014|1.144544|1.084980|1.030305|1.026708|1.076134|0.049630|0.050190|0.043977|0.060518|0.056927|0.076274|0.058004|0.058560|0.072621|0.103483|0.107503|0.124100|0.214847|0.500000| |1.999960|2.882808|0.056659|2.534166|2.687331|4.204439|4.457742|3.513348|2.916670|2.888004|3.402076|4.468518|4.615016|47.682609|8.915953|5.638569|4.952828|5.644796|8.903429|17.732319|1.943537|1.702165|2.974512|2.131978|1.406450|1.355388|1.234676|1.170788|1.203263|1.314353|9.568538|1.261080|1.278665|1.205479|1.131557|1.119833|1.177072|0.056455|0.057702|0.049978|0.073640|0.071767|0.102076|0.070555|0.069524|0.087922|0.148037|0.123994|0.107528|0.124122|0.215240|0.500000| |5.627045|12.341627|0.212664|7.411746|4.955094|8.142645|5.362991|3.101496|2.814056|2.349917|2.160844|2.283718|2.702462|19.623603|2.308955|2.259712|1.973225|1.797686|1.822882|2.040440|17.613387|8.897043|11.594976|9.235195|4.577031|3.946075|3.079037|2.767008|2.960258|3.707078|26.041163|3.043933|3.118698|2.612525|2.263026|2.234903|2.526619|0.146174|0.126536|0.143061|0.170872|0.243368|0.109570|0.082835|0.060720|0.053643|0.058151|0.068058|0.053000|0.045785|0.046757|0.056082|0.500000| |7.310228|12.307866|0.182162|6.551251|4.408173|7.224013|4.896348|2.848614|2.602988|2.189781|2.017163|2.125509|2.497516|18.206186|2.241657|2.262717|2.004403|1.808126|1.798325|1.976322|17.624384|8.661792|10.680816|9.803662|4.722816|3.813096|3.022525|2.809618|3.119464|4.020390|30.675391|3.309879|3.182615|2.624474|2.330247|2.379644|2.770936|0.217817|0.145978|0.186711|0.179958|0.172809|0.101494|0.076855|0.056906|0.050335|0.054369|0.068882|0.054733|0.046379|0.046000|0.053416|0.300910|0.500000| |4.337898|6.677485|0.125418|3.846917|3.059934|5.372526|3.533739|2.197806|2.081472|1.811984|1.677924|1.737471|1.970360|14.206934|1.775375|1.774755|1.608117|1.481963|1.482974|1.609640|7.677453|9.515520|10.832206|25.975635|9.323233|5.792727|4.305137|4.076457|4.883996|7.544663|54.859788|5.133257|4.880137|3.626788|3.069716|3.130213|3.834717|0.118957|0.097460|0.130081|0.101304|0.108765|0.071938|0.061570|0.048083|0.042666|0.044991|0.052895|0.044008|0.038511|0.038552|0.044065|0.190885|0.224491|0.500000| |3.517203|5.293080|0.120029|3.082898|2.819220|5.470387|3.216074|2.104091|2.110920|1.864417|1.683901|1.681237|1.853251|12.642965|1.571558|1.567344|1.422822|1.314523|1.317277|1.429222|4.485000|6.881404|14.353704|9.646290|8.915675|17.805743|8.937991|5.649019|4.960170|5.627535|27.577567|3.197026|3.204538|2.669788|2.330380|2.326492|2.658195|0.086452|0.087354|0.111706|0.076328|0.085636|0.062243|0.064434|0.050945|0.043219|0.043120|0.046753|0.039011|0.034258|0.034372|0.039309|0.117007|0.107286|0.145399|0.500000| |2.498523|3.558912|0.077716|2.212848|2.078483|3.973268|2.474464|1.667386|1.686974|1.533248|1.403227|1.392494|1.503079|10.298741|1.308229|1.307679|1.206800|1.126502|1.127061|1.207737|2.899614|3.767320|7.178636|5.665692|5.659922|8.966553|17.731861|8.910356|5.657850|4.945548|24.003941|3.014200|2.997826|2.603969|2.336469|2.342171|2.621059|0.063948|0.064126|0.077860|0.056753|0.061449|0.048368|0.050774|0.042382|0.036583|0.036151|0.038600|0.033239|0.029639|0.029664|0.033280|0.077237|0.074476|0.098615|0.216451|0.500000| |2.166997|3.014837|0.063218|1.912629|1.767230|3.286224|2.146230|1.445684|1.443838|1.321901|1.227223|1.228744|1.323887|9.235936|1.191687|1.195360|1.114946|1.046514|1.044310|1.109196|2.498912|3.070412|5.410591|4.919018|4.950236|5.640477|8.901113|17.735167|8.939609|5.636975|27.654470|3.692710|3.512589|3.083694|2.859839|2.949854|3.328531|0.057534|0.055243|0.066819|0.050446|0.053135|0.042657|0.042830|0.036358|0.032137|0.032203|0.035074|0.030815|0.027702|0.027609|0.030532|0.066569|0.067423|0.092385|0.124191|0.214218|0.500000| |2.324921|3.209322|0.064963|2.033269|1.821341|3.308013|2.218776|1.472539|1.445216|1.314201|1.228857|1.245798|1.355142|9.624125|1.248129|1.255409|1.173074|1.100448|1.095918|1.161623|2.763263|3.307276|5.418596|5.705721|5.651925|4.955474|5.659454|8.934260|17.745321|8.948385|46.991784|6.419638|5.213469|4.238044|3.999591|4.461261|5.680115|0.063610|0.057920|0.071310|0.054681|0.056522|0.044736|0.042539|0.035768|0.032046|0.032750|0.036818|0.032455|0.029144|0.028950|0.031895|0.073018|0.077895|0.115426|0.107683|0.124289|0.215535|0.500000| |2.483285|3.724123|0.073500|2.445692|2.097054|3.680384|2.567251|1.670956|1.591932|1.434019|1.357808|1.406083|1.553940|11.379385|1.442693|1.420141|1.310532|1.237682|1.252982|1.347015|3.468652|3.815925|5.722975|6.823812|5.265336|4.201776|3.834671|4.113245|5.086290|6.095095|46.234353|8.891351|17.728494|8.931509|5.644633|4.950360|5.636332|0.068919|0.060841|0.071894|0.065545|0.071799|0.052837|0.046094|0.038333|0.035137|0.037128|0.041287|0.035689|0.032488|0.033133|0.037424|0.100445|0.098232|0.160011|0.101421|0.089991|0.098554|0.133869|0.500000| |1.892245|2.786038|0.055357|1.905400|1.683643|2.945747|2.117587|1.407880|1.344267|1.231982|1.181357|1.223979|1.334017|9.841303|1.264347|1.238628|1.156242|1.106106|1.124682|1.199449|2.433017|2.566494|4.068021|4.148568|3.201267|2.846210|2.794495|3.055501|3.504075|3.620881|27.572221|5.648115|8.940947|17.723428|8.902358|5.646595|4.951230|0.052869|0.047681|0.054014|0.051697|0.055933|0.043816|0.038489|0.033031|0.030868|0.032681|0.035579|0.031451|0.029229|0.030032|0.033524|0.070794|0.068939|0.092335|0.071453|0.069552|0.079450|0.100375|0.215777|0.500000| |1.652954|2.357002|0.046613|1.618768|1.447344|2.532698|1.839259|1.233444|1.182667|1.092303|1.051230|1.086483|1.175466|8.667566|1.134666|1.121423|1.059185|1.016283|1.026494|1.082220|2.000821|2.093395|3.372719|3.313031|2.575638|2.312764|2.335730|2.636560|3.043938|3.004462|24.040675|4.952181|5.646276|8.907972|17.726237|8.923848|5.643938|0.046722|0.042022|0.047344|0.044606|0.046619|0.038116|0.033797|0.029392|0.027613|0.029135|0.032138|0.029000|0.027057|0.027506|0.030104|0.056643|0.057725|0.073219|0.058056|0.058843|0.071114|0.093264|0.124199|0.214761|0.500000| 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