Version2.1 2021-01-10T16:17:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)c1ccc(cc1)CN([C@H]2CCS(=O)(=O)C2)C(=O)c3ccc(cc3)OCC=C C54310904 RHF 6-31G(d) (6D,7F) CC[NH+](CC)c1ccc(cc1)CN([C@H]2CCS(=O)(=O)C2)C(=O)c3ccc(cc3)OCC=C C01[X(C25H33N2O4S1)] 189 C1 550 C=CCOc1ccc(cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)Cc1ccc(cc1)[NH+](CC)CC C=CCOc1ccc(cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)Cc1ccc(cc1)[NH+](CC)CC CC[NH+](CC)c1ccc(CN([C@H]2CC[S](=O)(=O)C2)C(=O)c3ccc(OCC=C)cc3)cc1 InChIKey=KLAGOYQJGULBLE-QHCPKHFHSA-O InChI=1S/C25H32N2O4S/c1-4-16-31-24-13-9-21(10-14-24)25(28)27(23-15-17-32(29,30)19-23)18-20-7-11-22(12-8-20)26(5-2)6-3/h4,7-14,23H,1,5-6,15-19H2,2-3H3/p+1/t23-/m0/s1 InChI=1/C25H32N2O4S/c1-4-16-31-24-13-9-21(10-14-24)25(28)27(23-15-17-32(29,30)19-23)18-20-7-11-22(12-8-20)26(5-2)6-3/h4,7-14,23H,1,5-6,15-19H2,2-3H3/p+1/t23-/m0/s1/fC25H33N2O4S/h26H/q+1 CC[NH+](CC)c1ccc(cc1)CN([C@H]2CCS(=O)(=O)C2)C(=O)c3ccc(cc3)OCC=C C01[X(C25H33N2O4S1)] 189 C01 550 C=CCOc1ccc(cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)Cc1ccc(cc1)[NH+](CC)CC C=CCO[C]1[CH][CH][C]([CH][CH]1)C(=O)N([C@H]1CC[S@](=O)([O])C1)C[C]1[CH][CH][C]([CH][CH]1)[NH](CC)CC CC[NH](CC)[C]1[CH][CH][C]([CH][CH]1)CN([C@H]2CC[S]([O])(=O)C2)C(=O)[C]3[CH][CH][C]([CH][CH]3)OCC=C InChIKey=AUUDJXFWFKQDNO-QHCPKHFHSA-N InChI=1S/C25H33N2O4S/c1-4-16-31-24-13-9-21(10-14-24)25(28)27(23-15-17-32(29,30)19-23)18-20-7-11-22(12-8-20)26(5-2)6-3/h4,7-14,23,26H,1,5-6,15-19H2,2-3H3/t23-/m0/s1 InChI=1/C25H33N2O4S/c1-4-16-31-24-13-9-21(10-14-24)25(28)27(23-15-17-32(29,30)19-23)18-20-7-11-22(12-8-20)26(5-2)6-3/h4,7-14,23,26H,1,5-6,15-19H2,2-3H3/t23-/m0/s1 3480.0358476328 -1771.4778844 1-A 21596.3331 122 428 550 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1640.14 1674.16 1675.35 1697.34 1728.07 1731.21 1749.90 1752.99 1773.04 1781.20 1794.45 1819.14 1845.13 1858.19 1867.22 1875.92 1884.64 1889.22 1896.40 1907.48 1919.37 1966.82 1991.65 2013.60 2024.80 2032.28 2056.48 2058.88 2065.70 2072.29 2075.14 2093.57 2101.14 2121.80 2157.22 2171.24 2184.84 2201.93 2206.38 2216.77 2244.96 2246.03 2268.52 2272.43 2279.44 2311.41 2314.32 2318.47 2333.93 2346.94 2349.79 2354.31 2359.33 2363.83 2373.13 2376.05 2383.57 2390.11 2395.99 2427.02 2441.55 2534.92 2585.02 2596.96 2605.39 2715.36 2764.52 4615.75 4633.13 4635.29 4668.24 4695.58 4695.74 4715.91 4719.94 4724.97 4728.04 4733.68 4739.02 4750.46 4768.75 4791.03 4792.39 4798.60 4809.82 4817.48 4820.39 4821.38 4827.24 4834.51 4835.64 4859.63 4870.23 4876.27 4885.00 4899.58 4917.81 4920.16 4922.52 5322.56 0.593618 0.623572 0.624516 0.528443 -1770.884266 -1770.854313 -1770.853369 -1770.949441 3.222271D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE CC[NH+](CC)c1ccc(cc1)CN([C@H]2CCS(=O)(=O)C2)C(=O)c3ccc(cc3)OCC=C C54310904 RHF 6-31G(d) (6D,10F) C1 457.216105 |X|Y|Z| 51.112465 38.430821 132.312983 63.816990 20 6 7 16 18 1 1 |36.858105| |12.521520|36.858105| |7.517937|12.566591|53.358707| |7.329531|9.339939|25.723534|0.500000| |6.073464|7.524201|17.092779|0.259810|36.858105| |4.271172|4.905527|10.257926|0.198631|12.530304|36.858105| |4.994418|7.692366|17.575466|0.264311|7.617608|6.343553|36.858105| |4.118562|5.500731|10.548083|0.218015|5.374168|5.244278|13.774832|36.858105| |3.221259|4.103692|6.949449|0.139029|4.057310|4.127058|7.971375|13.769943|36.858105| |2.943880|3.780256|6.104689|0.114658|3.787093|3.788297|6.870419|7.900639|13.674970|36.858105| |3.241418|4.351321|6.941048|0.120881|4.385896|4.145049|8.015000|6.903832|7.968236|13.712807|36.858105| |4.158848|6.140134|10.478152|0.162188|6.205497|5.266416|13.815468|7.916829|6.854409|7.867377|13.752968|36.858105| |2.387678|2.915238|4.496209|0.086601|2.939998|3.003667|4.437118|4.993725|7.485517|12.509868|7.551343|5.001837|36.858105| |2.153948|2.552751|4.010220|0.078935|2.726709|2.918672|3.771762|4.299529|6.007907|7.558479|5.380748|4.042283|12.996717|53.358707| |2.162461|2.553809|4.104349|0.079912|2.923049|3.245476|3.792762|4.094644|5.181402|6.367119|5.297336|4.142319|7.743139|17.705558|36.858105| |2.352942|2.839914|4.597830|0.087049|3.292077|3.597247|4.371131|4.471201|5.535107|7.541790|6.928524|5.104659|8.108496|12.820449|17.630985|0.500000| |1.878327|2.168422|3.390338|0.066056|2.483861|2.742985|2.974162|3.095032|3.659174|4.323471|3.961520|3.267683|5.211375|9.971832|12.383089|0.251784|36.858105| |1.890226|2.162412|3.413894|0.066208|2.605758|2.954768|2.907876|2.924659|3.261539|3.719426|3.642539|3.186676|4.004874|6.735094|7.750438|0.202108|12.327842|36.858105| |2.135662|2.444789|4.032047|0.079102|3.147107|3.829918|3.422577|3.478569|3.754045|4.021009|3.892825|3.581662|3.942579|6.514114|7.364640|0.196844|7.093921|10.561361|388.023441| |2.438719|2.839962|4.802986|0.091454|3.930383|4.913217|4.063695|3.867033|3.962674|4.298709|4.521123|4.372632|3.888276|5.816119|6.046403|0.193915|5.369360|7.197588|93.755966|73.516695| |1.952180|2.173253|3.538738|0.070977|2.791942|3.439050|2.877304|2.956679|3.105250|3.175436|3.053585|2.907375|3.129518|5.103317|5.041834|0.129942|5.184485|7.095107|94.544137|13.607244|73.516695| |2.224084|2.583876|4.294100|0.085741|3.131785|3.707022|3.851151|4.263882|5.046633|5.282536|4.500699|3.908807|5.363864|10.211748|12.398454|0.251599|7.821255|7.162452|75.995416|13.019220|12.709359|36.858105| |2.028180|2.351426|3.665809|0.074252|2.471829|2.661467|3.336076|3.974740|5.435975|5.689579|4.143085|3.369104|7.868829|18.608231|7.578522|0.160866|5.465874|4.009954|28.878391|6.304168|6.135485|6.341588|36.858105| |2.116126|2.450314|3.788044|0.077903|2.481450|2.628438|3.449998|4.304013|6.045246|5.699521|4.039411|3.364845|7.112010|11.494597|5.467781|0.129844|4.115625|3.266901|24.346418|5.560954|5.312269|5.003954|15.858678|73.516695| |1.779010|2.015177|3.111784|0.063442|2.156855|2.351872|2.712491|3.121840|3.894541|4.003209|3.212126|2.731123|5.050970|10.452811|6.130435|0.128563|5.416734|3.995033|27.775159|5.755972|6.264750|5.673680|12.799585|14.471336|36.858105| |1.621891|1.827699|2.778597|0.056040|1.953878|2.110640|2.388048|2.647672|3.204971|3.438987|2.901033|2.465223|4.403626|8.524860|5.478298|0.118246|5.779074|4.102684|25.881399|5.348998|5.886593|4.719204|7.547077|9.698129|13.646730|36.858105| |1.465996|1.627567|2.455214|0.049795|1.745262|1.888888|2.060529|2.259258|2.638761|2.766896|2.410158|2.108372|3.342423|5.907053|4.094347|0.093159|4.524027|3.553948|22.564668|4.673055|5.417614|3.814613|5.037663|7.290832|7.908722|13.860547|36.858105| |1.430674|1.571954|2.377147|0.048772|1.691827|1.845203|1.969168|2.179277|2.502166|2.533047|2.208009|1.974169|2.933333|5.039820|3.536567|0.081899|3.716796|3.121924|21.093672|4.380710|5.273822|3.553037|4.454614|6.841559|6.823660|7.929248|13.637073|36.858105| |1.533178|1.684274|2.571836|0.053339|1.815387|1.995998|2.136005|2.417771|2.787363|2.730355|2.332313|2.099493|3.098743|5.353496|3.685133|0.084898|3.605536|3.065292|22.013609|4.583754|5.523216|3.897881|5.062294|8.028572|7.884405|6.865323|7.907076|13.692398|36.858105| |1.714157|1.909355|2.950457|0.061218|2.052446|2.260486|2.508194|2.914329|3.486738|3.375439|2.771242|2.452267|3.899425|7.097973|4.600581|0.102639|4.152982|3.392777|24.997143|5.207502|6.000850|4.867993|7.688474|11.761165|13.731521|7.963392|6.896003|7.944628|13.762572|36.858105| |1.304627|1.419520|2.128138|0.043685|1.526099|1.658324|1.736238|1.896092|2.131203|2.155173|1.920367|1.741165|2.444279|4.028036|2.889894|0.069064|3.095808|2.718887|18.288777|3.858695|4.678663|2.920603|3.397096|5.405598|4.620644|5.319650|8.237672|14.279588|7.889335|5.219205|73.516695| |1.253854|1.351108|2.022038|0.041822|1.452537|1.581453|1.629242|1.781812|1.970282|1.955724|1.752652|1.614266|2.161514|3.477244|2.506329|0.060965|2.615831|2.375614|16.539301|3.538224|4.320347|2.607324|2.929128|4.827384|3.771544|3.977238|5.239470|7.969670|6.680408|4.499537|23.933020|36.858105| |1.145272|1.227013|1.821133|0.037554|1.315913|1.424122|1.454103|1.569673|1.716061|1.715663|1.562520|1.448266|1.883054|2.963895|2.158461|0.053474|2.287611|2.119106|14.557855|3.158598|3.817255|2.220280|2.420238|4.014874|2.979045|3.210857|4.103001|5.256436|4.412647|3.348481|14.398110|12.722841|36.858105| |1.079454|1.150416|1.695163|0.035023|1.221383|1.312530|1.345559|1.450383|1.575908|1.568986|1.434404|1.336649|1.710916|2.642624|1.905724|0.047793|1.993777|1.854310|12.817597|2.828172|3.339323|1.950388|2.152623|3.639286|2.574528|2.730976|3.343208|4.077177|3.621369|2.874162|9.828271|7.668564|14.466243|36.858105| |17.586339|8.970253|7.527507|0.148271|4.621541|3.461109|4.175411|3.553191|2.898879|2.696927|2.961759|3.670920|2.232431|2.725281|1.990191|0.059928|1.746338|1.745952|13.764274|3.882006|3.153300|2.017723|1.891283|3.517563|1.665432|1.529272|1.386812|1.351099|1.440670|1.602583|2.198785|1.188981|1.090426|1.031630|0.500000| |17.611875|8.713572|8.962505|0.174457|6.480538|4.471742|4.428926|3.636357|2.909470|2.707214|3.007690|3.832900|2.227292|2.776456|2.083615|0.063055|1.832422|1.872822|15.106997|4.356806|3.479456|2.159897|1.913582|3.504929|1.698159|1.558483|1.416617|1.383772|1.476870|1.639350|2.253231|1.219935|1.118443|1.053392|0.303247|0.500000| |17.549145|8.776845|9.357689|0.218844|5.454625|4.174584|4.728653|4.191159|3.239381|2.864243|3.039155|3.778275|2.337261|2.903171|2.127104|0.063380|1.840967|1.844794|14.958524|4.204855|3.455634|2.219188|2.042266|3.826724|1.796407|1.624419|1.472500|1.448649|1.564829|1.750669|2.348062|1.276348|1.162744|1.097595|0.302874|0.300017|0.500000| |8.776978|17.642216|12.355359|0.182429|7.089998|4.604508|6.805674|4.745416|3.784359|3.704682|4.511835|6.501714|2.893983|3.423794|2.544223|0.079851|2.187426|2.196107|17.353248|5.111714|3.822848|2.525434|2.275879|4.152692|1.958244|1.799391|1.602190|1.534938|1.627833|1.836322|2.470297|1.316351|1.200676|1.124747|0.209831|0.210830|0.172180|0.500000| |8.841806|17.648475|12.439050|0.219083|5.579180|4.132781|7.572169|5.925151|4.465537|4.042099|4.516202|6.038676|3.096668|3.606466|2.575323|0.078948|2.168226|2.117205|16.787460|4.765222|3.720272|2.564563|2.459840|4.640933|2.081403|1.878391|1.664274|1.604898|1.723988|1.966415|2.567641|1.372571|1.243301|1.168042|0.218120|0.172354|0.208677|0.302195|0.500000| |7.071092|7.174077|12.403382|0.225736|17.662180|8.842423|5.622589|4.367453|3.395869|3.154453|3.554828|4.716919|2.535964|3.227776|2.514498|0.077123|2.183799|2.291547|19.358306|5.853292|4.420188|2.692927|2.189152|3.932050|1.939701|1.767799|1.597363|1.558988|1.670419|1.867067|2.521302|1.359678|1.238728|1.155480|0.143353|0.240540|0.174786|0.183518|0.144554|0.500000| |5.361275|6.908311|12.356507|0.182302|17.653700|8.791332|6.940703|4.762090|3.828272|3.798752|4.677284|6.805665|2.975090|3.710281|2.953698|0.094603|2.543749|2.691125|22.498181|7.209437|4.900660|3.067811|2.419437|4.262636|2.112875|1.941396|1.730943|1.660533|1.761039|1.983210|2.667805|1.419343|1.291569|1.197873|0.120743|0.160593|0.127195|0.214120|0.145150|0.302158|0.500000| |3.695731|4.429976|9.023661|0.168841|8.743646|17.624457|6.827449|5.757119|4.740944|4.464101|4.894777|6.016920|3.483673|4.664677|3.953203|0.124525|3.247788|3.535315|34.246807|11.814768|7.277480|4.617841|3.044253|5.238902|2.658202|2.372898|2.095382|2.028495|2.193446|2.514907|3.207946|1.703836|1.524658|1.395219|0.085993|0.104127|0.099811|0.118606|0.108515|0.172646|0.211778|0.500000| |4.196653|4.587901|9.377992|0.212996|8.788793|17.546962|5.766234|5.325336|4.112267|3.582206|3.709433|4.513089|2.876117|3.854991|3.082925|0.091867|2.596944|2.750680|25.453174|7.614037|5.916276|3.610606|2.662567|4.749488|2.366003|2.095310|1.885417|1.866887|2.046798|2.320385|2.982657|1.614308|1.447613|1.336798|0.094205|0.119563|0.120803|0.113820|0.110781|0.209024|0.172414|0.299264|0.500000| |3.777263|4.104762|7.535858|0.146585|8.976449|17.586193|4.745427|4.047520|3.379990|3.202702|3.512952|4.274688|2.647593|3.555677|2.943038|0.089851|2.580853|2.856241|26.122569|8.414483|6.063815|3.354923|2.390099|4.152217|2.161366|1.970258|1.785857|1.748143|1.873842|2.087368|2.820891|1.518429|1.377951|1.270689|0.087145|0.114448|0.101696|0.110983|0.096554|0.217960|0.210305|0.303016|0.302634|0.500000| |4.212230|5.210296|9.714396|0.239597|5.038319|5.039747|8.878431|17.690924|8.938130|5.631848|4.965933|5.629690|4.076277|5.037955|3.528213|0.102976|2.756805|2.630677|22.425436|6.085672|4.957360|3.819404|3.615853|7.120351|2.935847|2.475961|2.150009|2.113760|2.375328|2.839211|3.290044|1.762440|1.551430|1.440052|0.099991|0.102398|0.126236|0.119442|0.155471|0.119999|0.118420|0.144100|0.154843|0.109106|0.500000| |2.856524|3.463124|5.650437|0.118042|3.418095|3.559399|5.664286|8.933731|17.759340|8.919343|5.663117|4.945625|6.948035|8.403100|4.960512|0.135675|3.559647|3.102667|25.165446|6.299600|5.367222|4.957120|6.407681|14.395480|4.422217|3.472184|2.842285|2.732609|3.125259|4.037706|4.084399|2.129355|1.830912|1.681380|0.072316|0.072014|0.081439|0.088298|0.104836|0.082181|0.088888|0.111119|0.101783|0.083112|0.215971|0.500000| |2.883005|3.736575|5.646627|0.099315|3.784276|3.584314|5.694623|4.968605|5.654138|8.908524|17.724107|8.983563|7.018236|6.934750|5.142576|0.192059|4.101822|3.762184|26.705589|7.705364|5.222693|4.128600|3.835488|6.456155|3.064801|2.870732|2.392005|2.157126|2.232310|2.609424|3.357126|1.710755|1.537292|1.410870|0.074626|0.075574|0.074420|0.111526|0.106362|0.087601|0.115945|0.115906|0.088551|0.087893|0.107754|0.124264|0.500000| |4.270568|6.253847|9.562794|0.144389|6.426016|5.066733|8.865853|5.623393|4.944011|5.625890|8.940846|17.736372|4.095248|4.662944|3.592918|0.122190|2.989559|2.999533|23.469432|7.310839|4.836283|3.395158|2.884765|5.067572|2.415353|2.228469|1.934653|1.811076|1.904085|2.182906|2.872551|1.501847|1.360190|1.258778|0.105868|0.112781|0.103320|0.210084|0.159427|0.137850|0.225537|0.153758|0.116398|0.119852|0.123542|0.107428|0.217899|0.500000| |2.281514|2.779502|4.185798|0.079206|2.799242|2.817379|4.015625|4.193277|5.584636|8.936108|7.406704|4.815228|17.578721|12.537639|6.994846|0.222104|5.328563|4.095536|26.830719|6.735281|5.300471|4.683848|5.892183|9.267514|4.328057|4.091547|3.171757|2.732296|2.795655|3.375641|4.120340|2.039060|1.802955|1.640927|0.059789|0.059617|0.061185|0.078606|0.081244|0.067395|0.080701|0.090267|0.073597|0.070192|0.096281|0.140297|0.228995|0.114925|0.500000| |2.290232|2.758116|4.136782|0.081041|2.660475|2.680714|3.960812|4.579977|6.728981|8.873363|5.866318|4.269772|17.677677|12.537160|5.662477|0.155333|4.243097|3.332919|23.356788|5.708549|4.846835|4.356372|7.715407|14.447638|4.956368|4.292675|3.291680|2.911901|3.092758|3.894181|4.319777|2.156998|1.877211|1.719894|0.060182|0.058816|0.062793|0.075280|0.083076|0.064934|0.074023|0.083957|0.072557|0.065960|0.107984|0.192545|0.151945|0.099067|0.303414|0.500000| |1.815261|2.099143|3.214491|0.062091|2.341194|2.515946|2.812533|2.876915|3.393081|4.138544|3.905222|3.167321|5.183647|8.954329|8.724483|0.216538|17.592265|8.735876|37.684546|8.018243|7.281512|5.594454|4.858767|6.729937|4.712598|5.321773|4.222414|3.386860|3.206091|3.619836|5.123597|2.428212|2.161015|1.902570|0.047297|0.049126|0.049078|0.059459|0.058596|0.057484|0.067491|0.081436|0.065720|0.065998|0.070857|0.090868|0.117783|0.081752|0.160602|0.118711|0.500000| |1.741783|1.982745|3.078092|0.060862|2.245274|2.485934|2.654924|2.817270|3.316522|3.739466|3.349237|2.833774|4.527400|8.884526|8.769850|0.175521|17.658237|8.825798|42.736286|7.875602|8.883190|6.953306|5.613489|7.378222|6.411931|7.519883|5.879171|4.610058|4.304415|4.837758|6.637346|3.049398|2.624492|2.243847|0.045136|0.047169|0.047821|0.055079|0.055301|0.055559|0.063070|0.080226|0.066631|0.065300|0.071330|0.092843|0.094488|0.072111|0.124198|0.108440|0.302182|0.500000| |1.930121|2.219017|3.472493|0.066275|2.686035|2.991032|2.941850|2.861686|3.133921|3.655437|3.780886|3.326790|3.841809|5.984472|6.397898|0.192952|8.646778|17.620545|57.597808|12.985357|10.103339|5.624610|3.510241|5.244294|3.383102|3.477418|3.040512|2.682889|2.632485|2.898943|4.229095|2.102234|1.903769|1.687475|0.049631|0.053404|0.051744|0.063582|0.059932|0.065446|0.078869|0.099155|0.075613|0.081123|0.070813|0.080921|0.112432|0.089258|0.113517|0.088578|0.219388|0.174589|0.500000| |1.724755|1.940923|3.028511|0.059324|2.323122|2.632773|2.518321|2.543981|2.794921|3.094509|3.019837|2.707703|3.333708|5.542279|5.672205|0.144195|8.636009|17.636669|57.062356|9.974137|12.606068|5.652577|3.520147|5.178988|3.698448|3.923268|3.589385|3.184830|3.052872|3.245063|5.043878|2.476224|2.232809|1.936460|0.044451|0.047679|0.046960|0.054608|0.052754|0.057710|0.066234|0.085275|0.068983|0.071871|0.064863|0.075207|0.086272|0.071599|0.094211|0.079913|0.190701|0.223339|0.299917|0.500000| |2.027044|2.307431|3.759470|0.076474|2.730543|3.205522|3.267540|3.678636|4.308881|4.327027|3.664868|3.245785|4.590723|8.939983|8.693657|0.174635|6.948446|6.168569|57.338347|9.729917|12.420746|17.622745|6.550943|9.043145|6.786415|5.404619|4.444954|4.274204|4.848003|6.151807|6.069199|3.032089|2.517058|2.177308|0.051437|0.054692|0.056732|0.062243|0.063995|0.066744|0.073622|0.106141|0.089128|0.081929|0.095279|0.124763|0.094595|0.079543|0.111606|0.110046|0.140126|0.203095|0.131822|0.150590|0.500000| |2.497577|2.932044|5.060498|0.102366|3.630579|4.419150|4.645411|5.383576|6.271191|5.962388|4.952810|4.463373|5.367630|9.066483|8.622936|0.215252|5.580235|5.323593|57.391659|12.563980|10.706972|17.635488|5.921279|9.143416|4.938420|3.986760|3.290551|3.153852|3.555609|4.477346|4.677551|2.406413|2.057410|1.831945|0.062082|0.066928|0.069783|0.078172|0.080698|0.085234|0.096107|0.157140|0.121919|0.106605|0.133303|0.167877|0.118812|0.104197|0.125253|0.122622|0.123259|0.139815|0.127614|0.121861|0.298262|0.500000| |1.632621|1.853224|2.796731|0.055754|1.966388|2.098875|2.421055|2.638276|3.210268|3.599704|3.076379|2.559636|4.832318|9.177980|5.806476|0.127911|6.488830|4.322063|25.662668|5.419582|5.649805|4.520791|6.944942|9.002932|8.884230|17.733806|8.993513|5.649645|4.949945|5.655491|7.645048|3.328134|2.818601|2.443645|0.042909|0.043574|0.045057|0.051162|0.052966|0.049259|0.054903|0.065735|0.057145|0.054466|0.067435|0.094129|0.086704|0.064599|0.131006|0.129240|0.182266|0.222891|0.104049|0.112499|0.133863|0.105898|0.500000| |1.377636|1.524044|2.278358|0.045990|1.629171|1.750953|1.896894|2.047165|2.359740|2.503755|2.230457|1.959224|3.004407|5.093933|3.610624|0.084747|4.166248|3.356078|20.606619|4.330174|4.968367|3.309772|4.089206|6.090482|5.620973|8.904820|17.745981|8.948254|5.649550|4.966988|13.544343|4.865692|4.132722|3.378389|0.036356|0.037099|0.038282|0.041934|0.043195|0.041594|0.045185|0.053682|0.048258|0.046331|0.054020|0.069459|0.062382|0.050510|0.081520|0.082141|0.112882|0.147073|0.081285|0.096141|0.103464|0.079812|0.215260|0.500000| |1.485693|1.615154|2.460392|0.051452|1.740787|1.917634|2.013485|2.278475|2.569098|2.468802|2.133499|1.955240|2.718085|4.516538|3.156636|0.074730|3.065600|2.711838|19.973711|4.225721|5.137473|3.429113|4.139376|6.924857|5.639917|4.952728|5.620049|8.854808|17.774989|8.964557|12.486279|7.389827|4.684294|3.898495|0.038791|0.039816|0.042368|0.043163|0.045841|0.044846|0.046615|0.057880|0.055163|0.050212|0.063196|0.079989|0.056452|0.049477|0.068334|0.075654|0.076290|0.098577|0.065571|0.075555|0.116375|0.089480|0.107554|0.124015|0.500000| |1.814329|2.015709|3.138208|0.066032|2.159663|2.388495|2.662575|3.177573|3.781384|3.478038|2.821232|2.536994|3.836534|6.647106|4.293987|0.098803|3.689964|3.129346|24.231919|5.174710|5.844213|4.774372|7.158103|12.634836|8.939765|5.658524|4.965760|5.655439|8.955139|17.732361|7.472284|3.898894|2.986437|2.630645|0.046917|0.047971|0.051959|0.053221|0.057857|0.054636|0.057210|0.073349|0.069234|0.060683|0.087906|0.126185|0.072264|0.062175|0.090281|0.107413|0.089643|0.113457|0.075452|0.082250|0.163257|0.130452|0.124274|0.107801|0.217396|0.500000| |1.257573|1.352821|2.017666|0.041907|1.437363|1.556522|1.625406|1.791474|1.983773|1.949738|1.735333|1.600408|2.151246|3.421239|2.410408|0.058925|2.453625|2.211757|15.587652|3.380392|4.022783|2.498702|2.938550|4.966891|3.731778|3.798763|4.772308|7.051294|6.725993|4.583529|16.465966|17.574288|8.906149|7.267658|0.033186|0.033854|0.035685|0.036468|0.038363|0.037445|0.038876|0.046377|0.044349|0.041314|0.049520|0.060174|0.046812|0.041225|0.055949|0.060449|0.063609|0.078147|0.054812|0.063013|0.080035|0.065104|0.088433|0.120511|0.223474|0.113218|0.500000| |1.291960|1.389501|2.094732|0.043473|1.513335|1.664711|1.681839|1.841812|2.022300|1.990251|1.785966|1.656052|2.169128|3.508955|2.578901|0.062605|2.676346|2.477405|17.647905|3.737672|4.717808|2.766567|2.943841|4.840060|3.762692|3.820036|4.791084|7.121321|6.817999|4.620154|16.553047|17.539453|8.923254|6.041280|0.033886|0.035007|0.036616|0.037512|0.039039|0.039350|0.040908|0.049855|0.047420|0.044500|0.050833|0.060643|0.048154|0.042761|0.056531|0.059506|0.067813|0.086548|0.060421|0.072135|0.090873|0.070999|0.088644|0.120328|0.226814|0.113723|0.300197|0.500000| |1.129787|1.210996|1.798482|0.036945|1.308440|1.418848|1.434028|1.535785|1.674017|1.687048|1.549133|1.436407|1.850008|2.915769|2.160143|0.053643|2.336503|2.191282|14.852970|3.207708|3.925257|2.218577|2.335439|3.828601|2.855963|3.137382|4.011455|4.859946|3.986842|3.120872|12.848559|8.702876|17.690584|9.145578|0.029865|0.030752|0.031759|0.033043|0.033956|0.034200|0.035809|0.042273|0.039870|0.038323|0.041977|0.049164|0.042562|0.037636|0.049606|0.050769|0.061415|0.074761|0.054656|0.065116|0.069603|0.056607|0.077665|0.116049|0.113480|0.077056|0.172201|0.205691|0.500000| |1.020930|1.084754|1.591975|0.032834|1.151037|1.233353|1.257684|1.346339|1.454324|1.452970|1.339454|1.252677|1.577377|2.413449|1.751147|0.044292|1.842252|1.730712|11.908124|2.646074|3.106104|1.785644|1.937844|3.279615|2.276915|2.425747|2.916009|3.400448|3.033541|2.490404|7.843667|5.494887|9.115021|17.726446|0.027157|0.027737|0.028789|0.029532|0.030539|0.030335|0.031433|0.036307|0.034810|0.033303|0.037105|0.042809|0.036733|0.032933|0.042311|0.043960|0.049170|0.057112|0.044084|0.050395|0.054797|0.046666|0.061405|0.083379|0.089185|0.063830|0.143262|0.130226|0.218024|0.500000| 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