Version2.4 2021-06-07T01:15:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3cccc(c3)OCC=C)c4nc(c(s4)C(=O)OC)C)[O-] C33534275 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3cccc(c3)OCC=C)c4nc(c(s4)C(=O)OC)C)[O-] C01[X(C27H23N2O6S1)] 171 C1 590 C=CCOc1cccc(c1)[C@H]1N(c2nc(c(s2)C(=O)OC)C)C(=O)C(=C1C(=O)c1ccc(cc1)C)[O-] C=CCOc1cccc(c1)[C@H]1N(c2nc(c(s2)C(=O)OC)C)C(=O)C(=C1C(=O)c1ccc(cc1)C)[O-] COC(=O)c1sc(nc1C)N2[C@H](c3cccc(OCC=C)c3)C(=C([O-])C2=O)C(=O)c4ccc(C)cc4 InChIKey=WLYRHYQCEBMSSQ-OAQYLSRUSA-M InChI=1S/C27H24N2O6S/c1-5-13-35-19-8-6-7-18(14-19)21-20(22(30)17-11-9-15(2)10-12-17)23(31)25(32)29(21)27-28-16(3)24(36-27)26(33)34-4/h5-12,14,21,31H,1,13H2,2-4H3/p-1/t21-/m1/s1 InChI=1/C27H24N2O6S/c1-5-13-35-19-8-6-7-18(14-19)21-20(22(30)17-11-9-15(2)10-12-17)23(31)25(32)29(21)27-28-16(3)24(36-27)26(33)34-4/h5-12,14,21,31H,1,13H2,2-4H3/p-1/t21-/m1/s1/fC27H23N2O6S/h31h/q-1 Cc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3cccc(c3)OCC=C)c4nc(c(s4)C(=O)OC)C)[O-] C01[X(C27H23N2O6S1)] 171 C01 590 C=CCOc1cccc(c1)[C@H]1N(c2nc(c(s2)C(=O)OC)C)C(=O)C(=C1C(=O)c1ccc(cc1)C)[O-] C=CCO[C]1[CH][CH][CH][C]([CH]1)[C@H]1N([C]2[N][C]([C](S2)C(=O)OC)C)C(=O)[C]([C]1[C](=O)[C]1[CH][CH][C]([CH][CH]1)C)=O COC(=O)[C]1S[C]([N][C]1C)N2[C@H]([C]3[CH][CH][CH][C]([CH]3)OCC=C)[C](C(=O)[C]4[CH][CH][C](C)[CH][CH]4)C(=O)C2=O InChIKey=KVTVRGSEYXFCDM-OAQYLSRUSA-N InChI=1S/C27H23N2O6S/c1-5-13-35-19-8-6-7-18(14-19)21-20(22(30)17-11-9-15(2)10-12-17)23(31)25(32)29(21)27-28-16(3)24(36-27)26(33)34-4/h5-12,14,21H,1,13H2,2-4H3/t21-/m1/s1 InChI=1/C27H23N2O6S/c1-5-13-35-19-8-6-7-18(14-19)21-20(22(30)17-11-9-15(2)10-12-17)23(31)25(32)29(21)27-28-16(3)24(36-27)26(33)34-4/h5-12,14,21H,1,13H2,2-4H3/t21-/m1/s1 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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 6 6 6 6 6 6 6 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 8 6 6 6 6 7 6 6 16 6 8 8 6 6 8 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 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 12.00000 15.99491 15.99491 12.00000 12.00000 15.99491 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 16058.2975 22303.5100 29860.4867 0.99958 0.02863 0.00500 -0.02863 0.99959 -0.00011 -0.00500 -0.00003 0.99999 1 0.00539 0.00388 0.00290 0.11239 0.08092 0.06044 16.68 21.48 26.79 34.51 46.49 60.42 63.66 68.89 86.03 94.46 100.48 108.86 112.09 129.53 133.78 142.74 157.94 183.46 204.62 217.33 243.00 257.38 273.05 292.92 305.70 331.45 351.95 384.16 391.18 418.10 426.95 441.16 477.57 482.85 508.62 531.24 545.42 554.68 584.56 606.04 624.28 663.38 679.31 728.54 746.37 762.94 787.66 798.65 835.93 884.42 918.50 937.30 952.79 962.72 1000.16 1007.44 1025.26 1045.25 1058.71 1109.48 1117.75 1136.65 1189.65 1224.08 1228.18 1235.27 1243.08 1266.38 1268.21 1281.07 1296.40 1309.37 1365.60 1372.89 1424.60 1451.38 1453.36 1470.71 1523.48 1541.80 1554.27 1560.70 1567.60 1575.35 1582.04 1584.05 1586.02 1603.28 1627.48 1654.01 1654.62 1683.67 1691.77 1714.87 1731.65 1735.97 1758.44 1796.42 1801.13 1830.70 1847.85 1868.31 1868.77 1873.37 1874.25 1889.86 1904.38 1915.28 1939.25 1967.57 1993.69 2007.54 2045.33 2062.47 2066.77 2076.30 2092.03 2128.19 2139.41 2184.22 2211.66 2226.91 2240.72 2248.09 2254.05 2307.05 2321.95 2335.44 2345.29 2350.52 2353.32 2361.95 2363.57 2368.35 2376.72 2388.41 2404.95 2428.90 2521.65 2537.14 2574.96 2613.35 2617.83 2620.88 2712.75 2797.61 2813.66 2933.91 4582.76 4594.37 4625.02 4632.35 4652.53 4664.92 4670.28 4698.90 4705.48 4781.98 4784.62 4799.73 4804.77 4805.73 4825.78 4826.48 4842.16 4854.63 4877.18 4880.35 4880.53 4888.06 4898.73 0.483881 0.516396 0.517340 0.413424 -1990.961122 -1990.928607 -1990.927663 -1991.031579 3.485360D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE Cc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3cccc(c3)OCC=C)c4nc(c(s4)C(=O)OC)C)[O-] C33534275 RHF 6-31G(d) (6D,10F) C1 503.127684 |X|Y|Z| 99.543109 80.636452 50.315106 73.917454 23 6 7 16 20 2 1 |36.858105| |12.603968|36.858105| |7.547608|13.670920|36.858105| |5.014483|7.888613|13.801579|36.858105| |4.404448|6.769759|7.899384|13.684585|36.858105| |5.003621|7.889654|6.915780|7.996136|13.752171|36.858105| |7.538485|13.750469|7.997837|6.911676|7.891285|13.710762|36.858105| |3.259744|4.396719|5.023473|7.583301|12.529038|7.473501|4.981689|36.858105| |2.963906|3.850066|4.530917|6.615801|8.204467|5.510256|4.121503|15.733534|73.516695| |2.844748|3.652245|3.914652|5.176715|7.489239|6.081403|4.253094|13.260342|14.384720|36.858105| |2.363410|2.897892|3.069542|3.838731|4.944631|4.331863|3.298418|7.576951|11.473700|13.549968|36.858105| |2.173094|2.592225|2.668054|3.171154|3.928409|3.709181|2.958619|5.070997|7.672589|8.076097|12.375014|36.858105| |1.922307|2.240789|2.290743|2.655852|3.173470|3.051002|2.525275|3.920828|6.274308|5.438257|7.786741|16.089484|73.516695| |2.393885|2.873844|2.914572|3.423486|4.282076|4.168458|3.323907|5.101692|7.238757|8.139441|8.064923|13.581340|14.690406|53.358707| |2.901893|3.657453|3.760561|4.616928|6.221803|5.821529|4.313455|7.291253|9.110863|12.549470|7.894483|7.960735|9.591240|17.584833|36.858105| |3.208847|4.078665|3.958651|4.640040|6.411806|7.018928|5.126635|6.388567|8.109471|8.711259|5.987683|6.112572|8.106171|12.431667|17.557956|0.500000| |2.941706|3.647610|3.904093|4.716503|5.548608|4.895856|3.986796|5.873956|7.978349|7.438805|5.448799|5.483285|7.469790|10.497384|12.438087|0.248695|36.858105| |2.524429|3.031392|3.344018|4.027512|4.404329|3.763396|3.177848|4.991136|7.460818|6.060343|5.136059|5.174961|7.383275|8.600356|7.486341|0.155350|13.612736|36.858105| |2.427109|2.828435|3.150974|3.630537|3.687369|3.201961|2.849997|3.909925|6.159260|4.303995|3.777833|3.794977|5.784114|6.020299|5.006604|0.116928|7.939788|13.878302|36.858105| |2.650727|3.034695|3.353368|3.673565|3.592285|3.211825|2.981650|3.524227|5.522781|3.709989|3.175679|3.183262|4.912293|5.140493|4.401914|0.110971|6.812993|7.891720|13.644144|36.858105| |3.142750|3.648941|3.918519|4.176632|4.137705|3.829063|3.612590|3.800534|5.729693|3.971554|3.248348|3.252943|4.939746|5.472736|4.986682|0.133537|7.893300|6.868321|7.977020|13.814581|36.858105| |3.370114|4.133582|4.320793|4.833373|5.274233|4.958218|4.386764|4.796584|6.754391|5.265002|4.017264|4.025877|5.853632|7.261210|7.535968|0.206000|13.831480|7.963610|6.926193|7.923367|13.646065|36.858105| |3.395069|3.738613|3.866713|3.805859|3.649381|3.543471|3.578653|3.210991|4.945436|3.250372|2.710631|2.711527|4.214045|4.450550|3.926085|0.111549|5.280269|4.614908|5.195982|7.864187|14.029781|8.184426|73.516695| |2.951299|3.105980|3.247851|3.153797|2.957236|2.849489|2.909784|2.669964|4.256319|2.679489|2.314159|2.317815|3.684818|3.679515|3.100753|0.086554|3.976433|3.789427|4.509107|6.728461|7.998782|5.256335|24.226586|36.858105| |3.025055|3.013141|3.028036|2.819696|2.642963|2.632710|2.792757|2.348385|3.774979|2.334159|2.035079|2.039357|3.279127|3.201195|2.662183|0.076341|3.203145|2.984870|3.349921|4.426574|5.246827|4.097152|14.461563|12.700784|36.858105| |2.917083|2.811554|2.846930|2.604173|2.393669|2.372225|2.546369|2.129187|3.486182|2.081634|1.833246|1.816799|2.943765|2.792524|2.306261|0.065823|2.703827|2.565405|2.863762|3.618712|4.040567|3.305662|9.765561|7.637670|14.461167|36.858105| |2.229828|2.593873|2.573071|2.893297|3.459448|3.515626|2.972371|3.809800|5.638901|5.208712|5.169526|7.791805|11.809225|19.005538|7.635026|0.194374|6.130735|5.212483|4.026448|3.590051|3.850393|4.886288|5.734749|2.695699|2.372161|2.050277|36.858105| |1.940274|2.208945|2.203856|2.448593|2.834986|2.848225|2.475348|3.133805|4.844838|4.071740|4.325459|6.476200|11.828495|11.036794|5.188105|0.132168|4.611028|4.377744|3.591003|3.178511|3.264046|3.841296|4.966438|2.423312|2.149075|1.877206|14.796085|53.358707| |1.846078|2.058298|2.023889|2.192526|2.488784|2.554382|2.292297|2.647460|4.138559|3.261960|3.344833|4.479908|8.188932|7.390063|4.083144|0.110904|3.817642|3.588767|3.132606|2.905676|3.021395|3.439762|4.769715|2.361977|2.134732|1.860979|8.671611|19.038022|36.858105| |1.999370|2.215028|2.136613|2.275984|2.583586|2.726208|2.488870|2.651462|4.090187|3.201778|3.124791|3.958892|6.836245|6.867239|4.137215|0.119577|3.906973|3.476120|3.078283|2.981907|3.236456|3.728721|5.238920|2.554349|2.341831|2.016318|7.820754|11.248423|14.014957|36.858105| |2.426893|2.771894|2.643955|2.848829|3.352958|3.629151|3.220152|3.380013|4.990226|4.205827|3.838657|4.788833|7.518016|9.572923|6.101906|0.192553|5.407833|4.280052|3.592831|3.506594|4.043479|5.159244|6.379004|2.934558|2.652701|2.251297|10.916835|10.114846|7.488166|10.893097|388.023441| |1.889222|2.041614|1.948032|2.028446|2.252953|2.400747|2.264880|2.258537|3.538732|2.618900|2.536511|3.044852|5.307380|4.998030|3.241664|0.095328|3.156537|2.848599|2.632486|2.635200|2.868756|3.168014|4.857034|2.428849|2.294268|1.984940|4.917929|6.980299|7.494169|13.056920|48.234856|36.858105| |1.692283|1.810588|1.738697|1.805572|1.981429|2.089123|1.983121|1.998969|3.182417|2.289782|2.255689|2.682291|4.787747|4.223665|2.741224|0.079070|2.692319|2.506183|2.356632|2.349246|2.497337|2.685621|4.258195|2.185261|2.079638|1.824184|3.981550|5.955489|6.300418|8.026372|34.341761|15.934386|73.516695| |2.059770|2.201772|2.061978|2.109862|2.333434|2.541127|2.452324|2.273192|3.540524|2.582618|2.432182|2.820198|4.792735|4.666691|3.206667|0.097813|3.145224|2.757801|2.571611|2.652597|2.985460|3.302774|5.224765|2.586898|2.500911|2.147346|4.343874|5.660412|5.260323|8.254916|47.000912|14.299818|15.309207|73.516695| |1.911591|1.995788|1.862455|1.876646|2.037211|2.214262|2.186176|1.968298|3.114007|2.181521|2.064129|2.334000|4.008001|3.723371|2.612124|0.078913|2.595260|2.325678|2.220259|2.318090|2.579563|2.757828|4.649571|2.375343|2.366153|2.062779|3.288068|4.376585|3.922220|5.259312|31.670502|8.143873|12.934473|24.005776|36.858105| |1.613022|1.773208|1.753777|1.887017|2.100685|2.134552|1.943035|2.240220|3.595022|2.679626|2.811363|3.619524|6.965895|5.430963|3.156105|0.084927|3.023587|2.973814|2.694070|2.499324|2.527835|2.763023|4.059812|2.073353|1.892632|1.674554|5.338851|10.662868|12.712243|7.419521|33.673429|5.965814|10.940381|7.548736|3.476395|36.858105| |2.156671|2.599217|2.771635|3.419302|4.188838|3.671662|2.897484|6.182313|11.090493|7.897950|15.769145|8.024426|11.890231|7.437155|5.277660|0.121872|4.130597|4.102862|3.225089|2.739136|2.749810|3.247323|4.175088|2.053127|1.824971|1.667445|4.011688|4.889472|2.875668|2.666349|22.184782|2.222142|3.580824|3.782083|1.840112|2.515837|73.516695| |17.523666|8.832797|6.519138|4.534405|3.958946|4.351099|6.010224|3.018006|4.860394|2.698485|2.252834|2.104433|3.319327|3.191296|2.825319|0.086261|2.961502|2.554254|2.508721|2.815808|3.387534|3.507957|6.816533|3.361885|3.556800|3.456803|2.214692|2.633341|1.855955|2.022245|17.351862|1.926702|3.069125|3.759217|1.973864|1.623447|3.637862|0.500000| |17.562408|8.831757|5.576480|4.172220|3.941351|4.728788|7.206237|3.008445|4.852527|2.689389|2.265789|2.109556|3.342330|3.160487|2.764485|0.086316|2.733996|2.338757|2.229864|2.412878|2.849771|3.095600|5.459388|2.680958|2.784298|2.673253|2.188930|2.599096|1.832761|2.000088|17.203041|1.907088|3.036548|3.730180|1.960868|1.602516|3.683338|0.301866|0.500000| |17.538503|8.825079|6.876268|4.643051|3.941097|4.238509|5.755903|3.017097|5.039863|2.601279|2.198927|2.005450|3.179521|2.952537|2.589275|0.077737|2.625986|2.313905|2.243397|2.426221|2.791021|2.934324|5.298791|2.673289|2.736781|2.708921|2.014395|2.415469|1.686153|1.805394|15.295438|1.709275|2.748559|3.279107|1.723860|1.489678|3.626684|0.302163|0.301621|0.500000| |7.011508|8.902043|17.677005|8.949166|5.631995|4.971043|5.668038|4.105210|6.917816|3.307621|2.692509|2.369255|3.673542|3.485745|3.193014|0.091502|3.406080|3.043626|2.973287|3.210473|3.645915|3.781785|6.567485|3.242918|3.060473|2.966541|2.295791|2.725380|1.853930|1.948244|16.729765|1.795617|2.876458|3.371030|1.733311|1.627193|4.401250|0.180700|0.140943|0.200522|0.500000| |4.089396|5.622781|8.921484|17.733917|8.951550|5.681884|4.973716|7.116537|12.584323|4.895846|3.783907|3.083142|4.629858|4.416605|4.230743|0.112171|4.483363|4.118714|3.793792|3.746024|4.020782|4.422615|6.380035|3.071625|2.699882|2.522125|2.734418|3.207067|2.098794|2.144305|18.637081|1.910221|3.050706|3.488945|1.752892|1.827975|6.146574|0.106247|0.096026|0.109814|0.215590|0.500000| |4.086649|5.632569|4.974243|5.669284|8.937624|17.714414|8.920477|6.913973|9.095359|6.488411|4.749282|4.150768|6.032305|6.350870|6.301192|0.226844|4.751002|3.644078|3.036328|2.984955|3.504174|4.585966|5.718899|2.613816|2.424550|2.177140|3.906804|4.238162|2.773523|2.965619|28.634909|2.577102|3.957741|4.827724|2.336425|2.290486|7.031159|0.101047|0.112708|0.098066|0.107831|0.124686|0.500000| |6.977942|8.922332|5.663853|4.969802|5.632831|8.923405|17.685105|4.069197|6.134272|3.689503|2.983606|2.761714|4.265649|4.224575|3.842041|0.129351|3.503794|2.826502|2.554082|2.678764|3.227151|3.856934|5.810362|2.700182|2.658620|2.430379|2.861814|3.270940|2.265427|2.495015|22.775752|2.307320|3.587982|4.512161|2.282639|1.924141|4.699482|0.157122|0.220275|0.147568|0.124258|0.107841|0.216203|0.500000| |2.296462|2.741580|3.016257|3.665528|4.078788|3.474554|2.899220|4.993291|7.750068|6.378617|6.053738|6.114577|8.686536|9.101195|6.960160|0.140490|8.876133|17.741400|8.956705|5.626350|4.951581|5.660246|6.511151|3.132639|2.556532|2.245390|5.224673|6.224288|3.599337|3.338206|28.154741|2.712500|4.300520|4.576058|2.180339|3.039153|8.619087|0.063719|0.059611|0.059165|0.076568|0.105857|0.095666|0.072254|0.500000| |2.166785|2.482196|2.768646|3.160471|3.168616|2.761485|2.482372|3.422598|5.617255|3.716922|3.436892|3.452285|5.439688|5.189485|4.082227|0.096538|5.643941|8.971989|17.702791|8.921098|5.671711|4.978409|7.446734|3.905956|2.989002|2.625514|3.516563|4.467266|2.884653|2.772092|21.997438|2.402645|3.900520|4.122772|2.031876|2.565529|5.407454|0.062032|0.055527|0.056437|0.073902|0.093658|0.073283|0.062378|0.216141|0.500000| |2.464073|2.738706|3.020310|3.213254|3.066967|2.775202|2.640764|2.992955|4.828574|3.087381|2.717263|2.721929|4.304352|4.263758|3.527452|0.090843|4.923768|5.642233|8.903897|17.752430|8.873025|5.621629|12.447677|7.432690|4.701859|3.914342|3.034797|3.771479|2.590540|2.652604|21.335774|2.407376|3.883368|4.313862|2.168444|2.288770|4.274760|0.073477|0.062339|0.063472|0.082659|0.092105|0.071721|0.066670|0.124261|0.216413|0.500000| |3.860322|4.781464|4.647866|4.925351|5.520176|5.768070|5.301631|4.629984|6.465934|4.940872|3.755292|3.756725|5.519761|6.732331|6.953585|0.226903|8.905786|5.640907|4.981568|5.666533|8.970202|17.736606|13.558390|4.891636|4.133536|3.335242|4.656065|4.935575|3.337099|3.760363|38.682604|3.260906|4.849529|6.280998|2.946112|2.667460|5.445674|0.111772|0.099716|0.090222|0.109783|0.118164|0.147395|0.130888|0.123944|0.107990|0.124228|0.500000| |2.917955|3.079740|3.343457|3.255237|2.955189|2.769535|2.816024|2.680664|4.346451|2.634074|2.280530|2.241679|3.565576|3.486208|2.951221|0.080935|3.773720|3.733048|4.570963|6.748859|7.027429|4.747949|16.489718|17.543417|8.908518|7.230389|2.499806|3.076950|2.173774|2.305584|18.731638|2.174966|3.511818|4.060629|2.103461|1.928129|3.634583|0.091806|0.072425|0.074922|0.095394|0.090479|0.069778|0.071560|0.086573|0.112936|0.225625|0.119990|0.500000| |2.551412|2.694092|2.803489|2.788284|2.677890|2.582033|2.586887|2.492827|3.992772|2.560578|2.256880|2.305385|3.703708|3.660961|2.987648|0.082269|3.834019|3.790767|4.646815|6.882087|7.169586|4.830027|16.584981|17.507672|8.942736|6.097561|2.737860|3.412963|2.470790|2.656924|21.053682|2.540341|4.095465|4.745552|2.454349|2.187978|3.565862|0.078976|0.065509|0.064742|0.077135|0.076182|0.067140|0.067410|0.087658|0.114406|0.227868|0.121565|0.300922|0.500000| |3.007352|2.972914|2.890263|2.691618|2.587163|2.645084|2.825311|2.296201|3.661116|2.312285|2.020928|2.051378|3.308007|3.251129|2.678678|0.078249|3.157976|2.875780|3.133389|4.008758|4.893314|4.054474|13.074697|8.711308|17.682843|9.151998|2.453238|3.019990|2.238385|2.505758|20.159943|2.498580|4.001098|4.954491|2.661923|1.973836|3.208682|0.097883|0.078742|0.074471|0.079480|0.070468|0.068577|0.076283|0.068797|0.077287|0.113651|0.118045|0.172497|0.203873|0.500000| |2.814074|2.733789|2.849765|2.618654|2.363227|2.295881|2.442659|2.116376|3.506338|2.047672|1.808986|1.775143|2.877940|2.697931|2.230768|0.062818|2.624656|2.543107|2.880493|3.620005|3.869564|3.142727|8.829227|6.915799|9.086974|17.689358|1.957607|2.449042|1.766861|1.887924|14.949104|1.840910|3.022649|3.491645|1.877563|1.599056|2.944802|0.091461|0.070677|0.074085|0.084313|0.071792|0.058202|0.063973|0.062141|0.074431|0.111662|0.086171|0.216120|0.155934|0.173412|0.500000| |2.815116|2.638572|2.614274|2.369417|2.195928|2.209685|2.400219|1.953380|3.211981|1.910021|1.694681|1.683583|2.745837|2.572615|2.104148|0.060563|2.406302|2.270837|2.483711|3.032687|3.377703|2.890125|7.816227|5.479875|9.104430|17.712169|1.899788|2.380173|1.747979|1.901424|14.949663|1.896836|3.117385|3.675186|2.018869|1.582532|2.754995|0.092860|0.072915|0.073033|0.075600|0.063339|0.056740|0.064700|0.055963|0.063742|0.089458|0.082521|0.142749|0.130983|0.218057|0.289172|0.500000| |2.045118|2.108928|1.941375|1.929388|2.083353|2.293207|2.308263|1.977083|3.122842|2.159732|2.014670|2.234635|3.791969|3.565034|2.574715|0.078993|2.566066|2.271250|2.177350|2.307877|2.613331|2.789276|4.823534|2.457007|2.501769|2.180750|3.060063|3.958197|3.391843|4.429397|29.648215|5.939335|9.238146|16.965139|17.649259|2.977050|3.194213|0.058981|0.058765|0.050904|0.050186|0.049688|0.066811|0.067775|0.058659|0.055053|0.060080|0.084588|0.060097|0.069542|0.079466|0.054599|0.059822|0.500000| |1.808145|1.880227|1.774752|1.788340|1.918663|2.052698|2.027799|1.861607|2.965018|2.055012|1.951987|2.201124|3.795462|3.486646|2.446217|0.072504|2.489036|2.275789|2.212555|2.323458|2.547184|2.651829|4.613393|2.407051|2.400125|2.091949|3.059998|4.155204|3.730459|4.778831|28.123986|7.201089|12.892245|16.452295|17.625169|3.428534|3.108838|0.052221|0.051095|0.045566|0.046271|0.046798|0.059448|0.058167|0.059187|0.056703|0.061128|0.077200|0.059039|0.070287|0.075037|0.052846|0.056885|0.298647|0.500000| |1.778280|1.853471|1.730348|1.747682|1.902085|2.068294|2.035735|1.852679|2.953159|2.051569|1.968508|2.229209|3.884311|3.481490|2.410977|0.072470|2.350634|2.125850|2.017913|2.078147|2.282558|2.449491|4.079388|2.098251|2.089199|1.849933|3.051694|4.142414|3.722626|4.775720|28.091967|7.196806|12.897584|16.452263|17.624934|3.421011|3.149691|0.050566|0.050916|0.044852|0.044780|0.045463|0.061088|0.059294|0.056143|0.051769|0.054153|0.072301|0.052354|0.059963|0.064396|0.047191|0.050490|0.298612|0.300469|0.500000| |1.550405|1.706621|1.688412|1.823460|2.039962|2.072783|1.876934|2.200266|3.561661|2.633953|2.836222|3.679500|7.421888|5.237838|3.011115|0.080825|2.802818|2.760726|2.475933|2.278377|2.301245|2.531894|3.701686|1.892797|1.736436|1.551075|4.908505|9.635990|9.012909|5.857311|29.759147|4.830942|8.837032|6.504106|3.071592|17.559708|4.586326|0.043031|0.042897|0.039949|0.043479|0.049148|0.062270|0.051709|0.079883|0.065945|0.058048|0.068258|0.049360|0.054927|0.050067|0.041337|0.040844|0.074411|0.082861|0.085944|0.500000| |1.556285|1.690818|1.660315|1.763948|1.945577|1.995000|1.844878|2.039303|3.284758|2.388731|2.463014|3.055151|5.760002|4.600657|2.797304|0.076839|2.714379|2.645484|2.449726|2.327469|2.372708|2.556220|3.892984|2.008606|1.859830|1.649028|4.383008|7.740454|8.855920|6.950125|30.623641|6.729937|14.355835|8.137788|3.866266|17.685429|3.951095|0.043689|0.043153|0.039931|0.042983|0.047328|0.059200|0.051179|0.073838|0.064854|0.059934|0.069465|0.051609|0.059066|0.054322|0.043524|0.043577|0.089267|0.107776|0.107692|0.298937|0.500000| 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