Version2.1 2020-12-26T15:20:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 13-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CN(C[C@@H](O1)C)C(=O)C(=O)NC[C@@H](c2ccc(c(c2)OC)OC)S(=O)(=O)c3cccs3 C08969263 RHF 6-31G(d) (6D,7F) C[C@H]1CN(C[C@@H](O1)C)C(=O)C(=O)NC[C@@H](c2ccc(c(c2)OC)OC)S(=O)(=O)c3cccs3 C01[X(C22H28N2O7S2)] 177 C1 559 COc1cc(ccc1OC)[C@@H](S(=O)(=O)c1cccs1)CNC(=O)C(=O)N1C[C@H](C)O[C@H](C1)C COc1cc(ccc1OC)[C@@H](S(=O)(=O)c1cccs1)CNC(=O)C(=O)N1C[C@H](C)O[C@H](C1)C COc1ccc(cc1OC)[C@H](CNC(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)[S](=O)(=O)c3sccc3 InChIKey=JBQVQJCFOAWICP-DOXZYTNZSA-N InChI=1S/C22H28N2O7S2/c1-14-12-24(13-15(2)31-14)22(26)21(25)23-11-19(33(27,28)20-6-5-9-32-20)16-7-8-17(29-3)18(10-16)30-4/h5-10,14-15,19H,11-13H2,1-4H3,(H,23,25)/t14-,15-,19-/m0/s1 InChI=1/C22H28N2O7S2/c1-14-12-24(13-15(2)31-14)22(26)21(25)23-11-19(33(27,28)20-6-5-9-32-20)16-7-8-17(29-3)18(10-16)30-4/h5-10,14-15,19H,11-13H2,1-4H3,(H,23,25)/t14-,15-,19-/m0/s1/f/h23H C[C@H]1CN(C[C@@H](O1)C)C(=O)C(=O)NC[C@@H](c2ccc(c(c2)OC)OC)S(=O)(=O)c3cccs3 C01[X(C22H28N2O7S2)] 177 C01 559 COc1cc(ccc1OC)[C@@H](S(=O)(=O)c1cccs1)CNC(=O)C(=O)N1C[C@H](C)O[C@H](C1)C CO[C]1[CH][C]([CH][CH][C]1OC)[C@@H]([S]([O])([O])C1=[CH][CH]=[CH]S1)C[NH][C](=O)[C]([N]1C[C@H](C)O[C@H](C1)C)=O CO[C]1[CH][CH][C]([CH][C]1OC)[C@H](CNC(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)[S]([O])([O])c3sccc3 InChIKey=JBQVQJCFOAWICP-DOXZYTNZSA-N InChI=1S/C22H28N2O7S2/c1-14-12-24(13-15(2)31-14)22(26)21(25)23-11-19(33(27,28)20-6-5-9-32-20)16-7-8-17(29-3)18(10-16)30-4/h5-10,14-15,19H,11-13H2,1-4H3,(H,23,25)/t14-,15-,19-/m0/s1 InChI=1/C22H28N2O7S2/c1-14-12-24(13-15(2)31-14)22(26)21(25)23-11-19(33(27,28)20-6-5-9-32-20)16-7-8-17(29-3)18(10-16)30-4/h5-10,14-15,19H,11-13H2,1-4H3,(H,23,25)/t14-,15-,19-/m0/s1/f/h23H 3920.9847672585 -2277.2609982 1-A 22356.8042 131 428 559 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0.8443 0.8046 0.7227 0.6170 0.3639 0.7004 0.6319 0.7762 0.7132 0.5334 0.4382 0.7326 0.0630 0.0494 0.2666 0.3026 0.0151 0.3988 0.2818 0.4051 0.4642 0.8535 0.8426 0.8432 0.8514 0.7302 0.8253 0.8260 0.5861 0.5027 0.6162 0.7113 0.5216 0.7645 0.3085 0.3761 0.5000 0.3073 0.2460 298.150 1.00000 1 2 3 4 5 6 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 6 6 1 6 7 6 6 1 8 6 6 8 6 8 7 6 6 1 6 6 6 6 6 6 8 6 8 6 16 8 8 6 6 6 6 16 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 1.00783 12.00000 14.00307 12.00000 12.00000 1.00783 15.99491 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 31.97207 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 10548.1555 32570.5220 37642.4533 0.99997 0.00008 -0.00709 0.00000 0.99994 0.01107 0.00709 -0.01107 0.99991 1 0.00821 0.00266 0.00230 0.17110 0.05541 0.04794 13.53 22.06 27.10 36.27 38.91 58.42 63.59 78.45 95.62 102.86 115.47 131.13 143.05 171.02 197.69 220.75 243.39 247.07 249.56 251.29 314.80 321.34 328.28 346.06 358.63 365.06 396.47 400.15 425.00 444.09 450.59 467.41 488.11 506.77 530.66 561.59 589.85 595.73 611.23 626.11 642.68 654.30 699.44 705.14 746.68 759.04 768.49 778.99 792.61 825.13 870.65 910.21 940.45 953.99 990.34 1006.81 1027.90 1078.47 1105.54 1144.45 1157.54 1171.69 1183.84 1195.84 1216.01 1237.97 1241.48 1300.52 1322.79 1336.01 1342.13 1357.28 1425.80 1438.15 1445.25 1452.31 1470.03 1481.51 1508.93 1525.64 1533.46 1549.30 1613.87 1629.43 1651.53 1667.91 1676.16 1677.78 1715.38 1729.67 1741.81 1763.93 1770.45 1776.41 1789.70 1817.42 1836.78 1843.90 1861.98 1862.33 1889.64 1896.54 1918.72 1936.61 1941.23 1947.05 1959.91 1987.36 2011.10 2027.05 2037.13 2049.77 2069.25 2086.74 2100.01 2114.85 2127.76 2165.71 2176.11 2186.88 2193.86 2224.03 2229.33 2244.80 2257.04 2270.26 2271.10 2289.95 2340.32 2347.30 2348.01 2350.78 2357.47 2361.96 2364.96 2370.66 2376.17 2376.46 2381.92 2387.84 2388.23 2389.24 2459.72 2498.22 2504.75 2574.35 2606.87 2738.21 2810.40 4591.74 4612.99 4617.45 4621.05 4623.47 4629.06 4634.08 4648.68 4678.28 4680.53 4701.99 4710.33 4716.63 4721.05 4736.53 4739.05 4793.45 4794.02 4810.04 4832.15 4872.01 4877.34 4905.60 4907.47 4927.27 4934.21 4951.92 5533.41 0.529019 0.560187 0.561131 0.461266 -2276.731979 -2276.700811 -2276.699867 -2276.799732 3.349489D-04 MUNgauss RevisionA2.0 retrievium 26-Dec-2020 DUDE C[C@H]1CN(C[C@@H](O1)C)C(=O)C(=O)NC[C@@H](c2ccc(c(c2)OC)OC)S(=O)(=O)c3cccs3 C08969263 RHF 6-31G(d) (6D,10F) C1 496.133795 |X|Y|Z| 127.552415 66.196194 41.294228 70.383418 23 6 7 8 16 18 2 1 2 |36.858105| |12.482673|36.858105| |8.938435|17.584755|0.500000| |7.467770|12.482180|0.248929|36.858105| |6.103643|7.772776|0.157627|13.065065|53.358707| |5.149216|6.646220|0.140511|7.835246|17.767694|36.858105| |6.235606|7.964586|0.162486|6.704745|10.636399|12.483836|36.858105| |6.887923|7.076806|0.144523|5.837273|9.522650|8.930339|17.510376|0.500000| |7.800271|13.512734|0.267031|7.932648|9.323642|7.889691|13.553028|0.258634|73.516695| |4.345491|5.185364|0.122467|4.532847|6.841290|7.552703|12.548915|0.247414|14.401355|36.858105| |5.042306|5.419989|0.120080|7.886377|19.326543|7.568801|5.327848|0.148118|8.384492|3.879900|36.858105| |4.862106|4.916210|0.114480|6.945900|11.526685|5.263905|4.213367|0.119119|7.161205|3.203999|15.805540|73.516695| |3.799864|3.951264|0.091445|4.968520|10.415835|6.348790|4.543150|0.129499|6.717340|3.621389|12.360854|14.441908|36.858105| |3.320804|3.584464|0.084519|4.395249|8.857160|6.513654|4.475721|0.122259|6.438089|3.786453|7.887120|10.018811|15.851990|73.516695| |3.447761|3.365996|0.079715|3.990865|7.296852|4.550175|3.679084|0.109423|5.632467|3.030996|7.978870|12.675719|14.219924|14.999464|53.358707| |2.765129|2.709121|0.065886|3.094740|5.333349|3.616309|3.033916|0.089538|4.665575|2.645426|5.062244|8.339376|7.841707|12.087758|17.963460|36.858105| |2.602854|2.464610|0.060376|2.688266|4.450486|3.091918|2.759571|0.083748|4.272259|2.450508|3.971162|6.730919|5.268545|8.351806|10.438921|12.391844|36.858105| |2.873714|2.668486|0.064581|2.849020|4.759919|3.350538|3.060281|0.095645|4.660782|2.695665|4.163857|6.893841|5.380003|8.392715|10.125685|8.923917|17.560838|0.500000| |2.198431|2.111117|0.052496|2.268380|3.672116|2.649365|2.402410|0.071884|3.732848|2.215357|3.116857|5.247092|3.990210|6.900106|6.796655|7.409676|12.555011|0.248063|36.858105| |1.987360|1.948676|0.048926|2.117321|3.401467|2.470130|2.208397|0.064577|3.457785|2.064388|2.863250|4.825030|3.663337|6.624437|5.919141|6.439963|7.509920|0.158354|13.861385|36.858105| |1.758105|1.729555|0.043857|1.853867|2.922484|2.156841|1.963256|0.057076|3.097089|1.874838|2.390529|4.036462|2.937707|5.405351|4.515292|4.396994|4.991144|0.117801|7.918282|13.644384|36.858105| |1.694771|1.650933|0.041958|1.738941|2.714361|2.019774|1.880928|0.055166|2.972161|1.813438|2.185509|3.693965|2.618401|4.767978|3.990271|3.685343|4.414149|0.111189|6.806051|7.905069|13.853601|36.858105| |1.822445|1.747594|0.044174|1.820454|2.847040|2.114773|1.997987|0.059591|3.143627|1.914309|2.293085|3.875281|2.730546|4.864762|4.232349|3.844175|5.024102|0.132882|7.868933|6.859110|7.929199|13.495661|36.858105| |2.077761|1.971705|0.049301|2.065110|3.279631|2.405310|2.255726|0.068190|3.518793|2.116112|2.695496|4.547449|3.278486|5.693693|5.307852|4.986017|7.577093|0.200767|13.576047|7.973095|6.908958|7.917002|13.868007|36.858105| |1.704649|1.626420|0.041370|1.669355|2.572123|1.922336|1.853103|0.055371|2.938571|1.796301|2.036124|3.454280|2.355400|4.188353|3.573638|3.082509|3.870756|0.107403|5.178593|4.625867|5.302208|8.166432|14.183099|7.913035|73.516695| |1.769559|1.663124|0.042282|1.684022|2.576471|1.920383|1.885177|0.057042|3.000273|1.821754|2.027586|3.454481|2.300509|4.023257|3.493904|2.909930|3.700296|0.107776|4.512970|3.804293|3.993984|5.244936|8.037972|6.757856|24.188369|36.858105| |1.525104|1.490871|0.038196|1.558850|2.399929|1.796860|1.691017|0.049282|2.695133|1.651479|1.903132|3.227487|2.227450|4.078321|3.314968|2.935404|3.369452|0.087398|4.603223|5.191062|7.900718|14.195005|8.165936|5.300127|13.135451|4.792410|73.516695| |1.419365|1.401519|0.036105|1.473567|2.255816|1.689543|1.579931|0.045522|2.533609|1.550036|1.782376|3.029163|2.074941|3.840032|3.041544|2.669405|2.917738|0.074991|3.787039|4.514233|6.744174|8.042884|5.245295|3.991669|8.520867|3.548091|24.219003|36.858105| |2.500015|2.305190|0.057347|2.492293|3.926695|2.630139|2.411518|0.073157|3.883457|2.125665|3.499910|6.416677|4.114262|6.297376|7.851882|6.845812|10.485979|0.232337|6.874470|5.132587|3.901128|3.609289|4.101806|5.579563|6.035595|3.390654|5.166434|2.551130|388.023441| |2.873605|2.609979|0.064592|2.868899|4.487245|2.864548|2.607430|0.079144|4.265229|2.232672|4.164425|8.125149|4.622567|6.640493|9.111901|6.439638|7.270610|0.185838|4.832495|3.961140|3.124589|2.882300|3.179654|4.055360|4.866678|2.770190|4.278887|2.168654|94.004495|73.516695| |2.340688|2.126225|0.053279|2.229579|3.442449|2.361002|2.237511|0.068588|3.619945|2.005409|2.936415|5.316979|3.325248|5.251786|5.814274|4.809812|7.247731|0.195807|6.069368|4.454579|3.671321|3.655608|4.437177|6.032259|6.815156|4.051505|5.312759|2.553900|94.346171|13.592398|73.516695| |2.096643|1.981412|0.050197|2.163525|3.336618|2.248404|2.045130|0.060459|3.344452|1.835756|2.927626|5.435194|3.399056|5.436902|6.020365|5.468673|6.590087|0.141543|5.812266|5.234824|4.095156|3.630105|3.815868|4.668156|5.606263|3.011069|5.271086|2.681215|77.229255|13.189271|13.091102|36.858105| |2.050873|1.962993|0.050096|2.180120|3.323857|2.204191|1.980488|0.057704|3.279220|1.770726|2.941848|5.602819|3.347714|5.346960|5.776316|4.981179|5.080239|0.113805|4.449088|4.356154|3.514411|3.056357|3.089979|3.607439|4.649647|2.490835|4.583368|2.414236|49.205603|11.413784|8.896420|14.086681|36.858105| |1.780470|1.719380|0.044382|1.893909|2.842791|1.916149|1.735847|0.050140|2.894670|1.576927|2.444648|4.603867|2.738521|4.521379|4.463118|3.804119|3.875984|0.089989|3.721937|3.865478|3.336291|2.911987|2.849191|3.153304|4.361530|2.306047|4.492462|2.424073|33.900755|7.757548|7.012647|8.255312|13.343298|36.858105| |1.665516|1.602031|0.041383|1.738486|2.609867|1.790236|1.641657|0.047637|2.725916|1.508306|2.206088|4.078934|2.482236|4.159484|4.006246|3.472447|3.758811|0.087946|3.866275|4.044415|3.647229|3.247152|3.154247|3.396319|4.839466|2.528334|5.034959|2.699727|32.449939|6.895712|7.256533|7.792811|8.270187|14.112423|36.858105| |1.787359|1.697486|0.043454|1.821745|2.769423|1.915091|1.771024|0.052127|2.906101|1.626173|2.342545|4.270150|2.679350|4.459907|4.439520|3.967409|4.810175|0.110631|5.166462|4.994102|4.388728|4.047944|4.150126|4.638667|6.191561|3.239764|5.995253|3.036677|44.207635|8.131056|10.550165|11.018094|7.417840|7.430782|11.108402|388.023441| |17.556927|8.845984|0.218611|6.690115|7.143867|4.237446|4.691632|0.139172|10.084747|3.509426|4.695730|8.757981|3.522707|5.408601|4.478655|2.649595|2.498263|0.075465|2.105457|1.910649|1.690391|1.626022|1.743332|1.984116|2.899813|1.692744|2.605586|1.367850|17.611004|5.161957|4.111447|2.098113|2.074561|1.801757|1.674464|12.669519|0.500000| |17.568540|8.859481|0.212190|5.478155|6.437362|4.400580|5.716549|0.178785|12.868122|4.326111|3.995009|6.804208|3.228767|5.166494|4.057065|2.474526|2.381799|0.073371|2.051553|1.854680|1.660688|1.617983|1.746323|1.972692|2.937992|1.728982|2.607799|1.363449|16.295999|4.578904|3.898619|1.932063|1.875788|1.645502|1.554954|11.909807|0.300676|0.500000| |17.580586|8.718022|0.173373|6.820622|9.130168|5.566772|6.508220|0.226007|11.949406|4.418250|5.871707|9.781881|4.450114|6.684178|5.570513|3.192748|3.026486|0.095005|2.497350|2.217298|1.937908|1.867889|2.029562|2.352471|3.352076|1.964879|2.958060|1.535686|20.458611|5.930541|4.766815|2.340619|2.259602|1.933502|1.810190|14.005532|0.302586|0.300855|0.500000| |5.498261|8.893508|0.223976|17.533114|12.516707|7.085687|5.890841|0.134856|12.583260|4.385213|6.186370|9.799882|4.360912|7.290574|4.757446|2.815560|2.433092|0.070574|2.098137|1.992970|1.762534|1.648427|1.706570|1.911092|2.787937|1.570811|2.645994|1.419238|15.968111|4.511546|3.581718|1.995603|2.027531|1.786598|1.641321|12.100386|0.141239|0.123837|0.138354|0.500000| |6.983383|8.799291|0.207282|17.691497|12.484390|5.683777|4.997735|0.130582|10.144142|3.640600|7.710792|14.823903|4.754801|7.183689|5.475793|3.093698|2.690799|0.078307|2.247456|2.096221|1.828138|1.710537|1.790580|2.036949|2.915268|1.656163|2.722961|1.448676|18.316642|5.415900|4.062847|2.247905|2.294241|1.982841|1.801456|13.318739|0.202941|0.140903|0.178450|0.300865|0.500000| |4.315087|5.813024|0.133796|7.042111|12.474782|17.532592|8.860916|0.174525|12.440097|7.034741|6.027248|8.057303|5.247376|10.210613|5.266947|3.208684|2.732710|0.080312|2.401158|2.291420|2.027765|1.891553|1.951545|2.181863|3.165218|1.764528|3.021739|1.617054|16.708431|4.509113|3.758735|2.065442|2.049337|1.807425|1.687406|12.662813|0.102626|0.105360|0.122282|0.211172|0.143992|0.500000| |4.301075|4.972210|0.110484|5.667554|12.374773|17.735321|8.852126|0.217819|10.146361|6.763797|7.150240|8.767831|7.472273|15.250255|7.017826|4.171812|3.512790|0.106559|3.014514|2.801803|2.423078|2.256566|2.363735|2.709228|3.776669|2.105121|3.533177|1.859389|20.246853|5.383421|4.517920|2.411944|2.335093|2.021048|1.898682|14.599047|0.101069|0.105213|0.134797|0.144134|0.127264|0.302800|0.500000| |3.742330|4.213822|0.100259|3.913800|6.243931|6.853412|8.825240|0.213281|10.244471|17.548569|3.748534|5.460762|3.729467|7.167371|4.269648|2.800509|2.608393|0.080162|2.389522|2.225828|2.027175|1.965975|2.077202|2.291677|3.458140|1.963548|3.176149|1.670864|15.684200|4.042659|3.708813|1.899534|1.815972|1.617828|1.556963|12.027168|0.086177|0.102669|0.109996|0.104625|0.090237|0.174247|0.200181|0.500000| |4.275370|4.835635|0.118619|3.973372|5.669705|5.508128|8.882395|0.214267|13.095524|17.584501|3.342530|5.089771|3.105992|5.641200|3.670940|2.381617|2.258742|0.069288|2.057097|1.908040|1.748585|1.710566|1.817007|1.996507|3.069234|1.769403|2.789268|1.469242|14.196264|3.718980|3.401163|1.724889|1.658018|1.483649|1.426480|10.959374|0.095863|0.125748|0.118033|0.105854|0.091516|0.142636|0.139529|0.300506|0.500000| |3.849807|4.829547|0.119937|4.402156|6.379798|6.863847|8.852774|0.173898|12.942027|17.564989|3.613427|5.370025|3.356694|6.363753|3.798459|2.458836|2.248107|0.067377|2.051262|1.943692|1.775999|1.707412|1.779307|1.947219|2.966721|1.678069|2.781790|1.483660|13.965341|3.669068|3.276168|1.727501|1.683891|1.511440|1.441623|10.929036|0.089290|0.105253|0.105295|0.126204|0.097968|0.210328|0.165588|0.300037|0.301342|0.500000| |3.626125|3.424000|0.081543|4.048378|6.996020|4.138551|3.479699|0.104437|5.525579|2.832836|7.788335|14.831177|9.476473|10.878144|25.971792|9.021046|6.749337|0.184434|4.439044|3.836838|2.999292|2.696995|2.886567|3.597821|4.406466|2.462406|4.030119|2.080535|44.355869|15.418878|8.023732|4.640921|4.534947|3.408933|3.007419|23.545258|0.098974|0.086024|0.120235|0.096585|0.118571|0.098295|0.123032|0.079751|0.071235|0.072538|0.500000| |2.648331|2.656468|0.064649|3.023575|5.283761|3.783081|3.120377|0.090737|4.700091|2.785755|4.763675|7.435276|7.674310|14.349004|12.705407|17.674194|8.933310|0.205717|7.161543|6.858079|4.740603|3.887262|3.937779|4.922276|5.577828|2.900560|5.497481|2.835197|36.490433|8.435617|7.134053|4.391849|4.057208|3.315148|3.102307|24.848238|0.069424|0.066445|0.084037|0.077794|0.081821|0.094407|0.126204|0.083656|0.068812|0.072236|0.179921|0.500000| |2.509435|2.479038|0.061312|2.858894|4.755173|3.177269|2.675620|0.077534|4.223986|2.355714|4.480307|7.797347|6.294917|10.037316|12.432343|17.558679|8.766831|0.174819|6.419953|6.362228|4.376726|3.548786|3.557017|4.398539|5.098874|2.674151|5.086037|2.661376|46.359258|11.060470|7.960576|6.230811|6.184823|4.581132|3.991750|30.803443|0.067987|0.062490|0.078711|0.073443|0.080830|0.080607|0.098686|0.068474|0.059287|0.061839|0.211665|0.303374|0.500000| |2.008013|1.992670|0.050089|2.204919|3.556823|2.552134|2.233707|0.064494|3.512910|2.072580|3.039810|5.141593|3.959673|7.233299|6.377075|7.215422|6.871185|0.142779|8.905941|17.743845|8.964431|5.661205|4.947460|5.640864|6.524982|3.140205|7.474820|3.933047|34.838674|7.118230|7.124355|5.286473|4.750801|4.201010|4.179854|33.670791|0.053854|0.051598|0.061908|0.057996|0.060899|0.066348|0.080199|0.061650|0.052791|0.054703|0.113279|0.216967|0.222968|0.500000| |1.644792|1.633974|0.041693|1.759028|2.751584|2.033527|1.842968|0.052966|2.927705|1.770974|2.236161|3.786938|2.717920|5.069718|4.079068|3.862154|4.083115|0.097727|5.661100|8.941227|17.767097|8.946763|5.631975|4.974764|7.594452|3.330241|12.565658|7.505368|23.736674|4.941561|5.526613|3.628156|3.271557|3.217791|3.497000|27.845921|0.044054|0.043168|0.049886|0.046901|0.048205|0.053809|0.063038|0.053009|0.045837|0.047072|0.075597|0.116733|0.110482|0.218808|0.500000| |2.197255|2.047597|0.051044|2.114299|3.339737|2.440997|2.334458|0.071773|3.645889|2.176489|2.729223|4.623119|3.238510|5.496661|5.253455|4.617430|7.114698|0.218254|8.919277|5.680859|4.976152|5.635268|8.978990|17.786008|12.639052|7.563917|7.606062|3.332720|40.990871|7.539952|12.450069|4.407449|3.408439|2.942338|3.131411|30.241307|0.058195|0.058279|0.069739|0.053829|0.057989|0.060826|0.075775|0.065212|0.057563|0.055052|0.101343|0.122702|0.111062|0.124247|0.107988|0.500000| |1.633519|1.539022|0.039395|1.549102|2.344528|1.753625|1.735154|0.052208|2.783795|1.692858|1.826218|3.120295|2.042258|3.588725|3.053643|2.500062|3.059090|0.088583|3.616621|3.192811|3.419153|4.411489|5.897701|4.922156|17.018532|17.649575|7.775253|3.344923|20.376011|4.283505|5.984943|2.609603|2.208498|2.078382|2.280320|20.171699|0.043490|0.044639|0.049912|0.040346|0.042302|0.045089|0.052972|0.050529|0.045991|0.043516|0.060105|0.069521|0.064616|0.075207|0.082092|0.147300|0.500000| |1.802463|1.678249|0.042687|1.702559|2.593700|1.903709|1.866271|0.056655|2.992989|1.779630|2.061508|3.557024|2.322720|3.992306|3.592388|2.983744|3.892833|0.112659|4.610632|3.782598|3.830464|4.788271|7.107684|6.791393|16.437355|17.566269|7.564059|3.255540|26.990719|5.396061|8.600438|3.342840|2.703851|2.489824|2.757308|25.977899|0.048271|0.048766|0.055743|0.043902|0.046906|0.048428|0.057542|0.052756|0.048043|0.045534|0.071489|0.080391|0.076742|0.087439|0.088824|0.227098|0.299612|0.500000| |1.911963|1.790094|0.045235|1.799090|2.770936|2.086518|2.066959|0.063191|3.254877|2.003455|2.165430|3.648382|2.460608|4.307670|3.708300|3.042263|3.868735|0.117999|4.555679|3.730387|3.774619|4.715635|7.003232|6.725101|16.433112|17.555363|7.473569|3.222336|24.284576|5.048015|7.155759|2.911353|2.427939|2.211199|2.371109|21.253389|0.050332|0.052078|0.059397|0.046407|0.048801|0.052824|0.063949|0.060464|0.054151|0.050760|0.072080|0.084953|0.075848|0.086338|0.087653|0.227517|0.300075|0.298914|0.500000| |1.445684|1.439615|0.037044|1.519564|2.338373|1.766275|1.640181|0.046977|2.616896|1.618315|1.840758|3.101217|2.160354|4.065860|3.123012|2.744393|2.915994|0.075051|3.743020|4.582943|6.745987|7.062694|4.756171|3.804296|7.523566|3.234261|16.442933|17.556727|17.644351|3.800753|4.329790|2.578027|2.354002|2.341472|2.545508|20.003969|0.038548|0.038512|0.043396|0.040832|0.041285|0.047197|0.054322|0.048716|0.042379|0.043187|0.058663|0.082926|0.075769|0.113786|0.225291|0.088339|0.084164|0.082075|0.084446|0.500000| |1.395491|1.377594|0.035562|1.456730|2.222520|1.646659|1.531942|0.044049|2.471666|1.491231|1.769376|3.034321|2.055006|3.774947|3.037010|2.680002|2.907856|0.073352|3.734136|4.576565|6.739302|7.049776|4.745921|3.793574|7.512210|3.242603|16.441845|17.555039|18.526451|3.929558|4.588477|2.842241|2.581745|2.654098|3.009465|23.572352|0.037569|0.037102|0.041874|0.038995|0.040026|0.043847|0.050065|0.044337|0.039223|0.039761|0.058097|0.077937|0.075911|0.113758|0.225750|0.088165|0.084500|0.085574|0.081462|0.298859|0.500000| |1.328968|1.311382|0.033930|1.369592|2.079105|1.561395|1.473614|0.042414|2.375532|1.455017|1.628600|2.773969|1.868720|3.449921|2.716125|2.331074|2.539311|0.066395|3.180538|3.618030|4.914794|5.898918|4.410200|3.417266|7.773421|3.343863|17.023972|17.650420|16.126152|3.474066|4.090687|2.365990|2.147140|2.167183|2.409021|19.054979|0.035603|0.035648|0.039755|0.036724|0.037384|0.041642|0.047422|0.043478|0.038539|0.038757|0.052010|0.068300|0.064356|0.089395|0.146504|0.082160|0.090826|0.084660|0.083976|0.299912|0.299940|0.500000| |2.220443|2.131001|0.054281|2.407625|3.667764|2.374359|2.108598|0.061182|3.511590|1.859332|3.325145|6.532619|3.723958|5.788989|6.488452|5.236304|4.896330|0.112541|4.034846|3.908237|3.145381|2.745243|2.789212|3.272461|4.241356|2.296927|4.152644|2.199652|45.465925|12.625815|8.032617|8.914643|17.764536|8.582141|5.738996|37.613419|0.062890|0.055726|0.067931|0.061939|0.071382|0.061241|0.069244|0.052556|0.048142|0.049213|0.147544|0.115814|0.184428|0.120691|0.081980|0.087317|0.056844|0.068579|0.063207|0.060373|0.064543|0.054696|0.500000| 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