Version2.0 2020-01-10T05:18:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc2=C[C@@H](C(=O)[NH+]=c2c1)CN(Cc3ccc(cc3)F)S(=O)(=O)c4cccc(c4)C(=O)OC C39325465 RHF 6-31G(d) (6D,7F) COc1ccc2=C[C@@H](C(=O)[NH+]=c2c1)CN(Cc3ccc(cc3)F)S(=O)(=O)c4cccc(c4)C(=O)OC C01[X(C26H24F1N2O6S1)] 174 C1 592 COc1ccc2=C[C@@H](C(=O)[NH+]=c2c1)CN(S(=O)(=O)c1cccc(c1)C(=O)OC)Cc1ccc(cc1)F COc1ccc2=C[C@@H](C(=O)[NH+]=c2c1)CN(S(=O)(=O)c1cccc(c1)C(=O)OC)Cc1ccc(cc1)F COC(=O)c1cccc(c1)[S](=O)(=O)N(C[C@H]2C=C3C=CC(=CC3=[NH+]C2=O)OC)Cc4ccc(F)cc4 InChIKey=GKVIJXKJOFHCCM-HXUWFJFHSA-O InChI=1S/C26H23FN2O6S/c1-34-22-11-8-18-12-20(25(30)28-24(18)14-22)16-29(15-17-6-9-21(27)10-7-17)36(32,33)23-5-3-4-19(13-23)26(31)35-2/h3-14,20H,15-16H2,1-2H3/p+1/t20-/m1/s1 InChI=1/C26H23FN2O6S/c1-34-22-11-8-18-12-20(25(30)28-24(18)14-22)16-29(15-17-6-9-21(27)10-7-17)36(32,33)23-5-3-4-19(13-23)26(31)35-2/h3-14,20H,15-16H2,1-2H3/p+1/t20-/m1/s1/fC26H24FN2O6S/h28H/q+1 COc1ccc2=C[C@@H](C(=O)[NH+]=c2c1)CN(Cc3ccc(cc3)F)S(=O)(=O)c4cccc(c4)C(=O)OC C01[X(C26H24F1N2O6S1)] 174 C01 592 COc1ccc2=C[C@@H](C(=O)[NH+]=c2c1)CN(S(=O)(=O)c1cccc(c1)C(=O)OC)Cc1ccc(cc1)F CO[C@@H]1C=CC2=C[C@@H](C(=O)N[C@@H]2C1)CN([S@](=O)(c1cccc(c1)C(=O)OC)O)Cc1ccc(cc1)F CO[C@H]1C[C@H]2NC(=O)[C@@H](CN(Cc3ccc(F)cc3)[S](O)(=O)c4cccc(c4)C(=O)OC)C=C2C=C1 InChIKey=XTCXIULAIMWGHE-UHFFFAOYSA-N InChI=1S/C26H34N4O5S/c1-6-19-16-24(30(2)13-11-18-7-9-21(33-4)23(15-18)34-5)29-26(28-19)36-17-20-8-10-22(35-20)25(31)27-12-14-32-3/h7-10,15-16H,6,11-14,17H2,1-5H3,(H,27,31) InChI=1/C26H34N4O5S/c1-6-19-16-24(30(2)13-11-18-7-9-21(33-4)23(15-18)34-5)29-26(28-19)36-17-20-8-10-22(35-20)25(31)27-12-14-32-3/h7-10,15-16H,6,11-14,17H2,1-5H3,(H,27,31)/f/h27H 4016.3775479471 -2053.3122226 1-A 22831.7295 133 459 592 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0.0638 0.0141 0.1492 0.6058 0.8571 0.8563 0.4392 0.6777 0.7938 0.6505 0.6597 0.7588 0.7408 0.4388 0.2147 0.4777 0.4113 0.8256 0.2228 0.3858 0.4052 0.4048 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 6 8 6 6 6 6 6 6 1 6 8 7 1 6 6 6 7 6 6 6 6 6 6 6 9 16 8 8 6 6 6 6 6 6 6 8 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 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 19934.0210 25446.2026 39346.6065 0.99962 0.02767 0.00144 -0.02765 0.99959 -0.00684 -0.00163 0.00680 0.99998 1 0.00435 0.00340 0.00220 0.09054 0.07092 0.04587 11.60 20.26 22.52 31.05 43.48 50.73 55.46 74.41 103.87 116.93 133.03 149.13 162.52 173.69 195.79 217.31 240.83 246.89 277.93 285.52 303.47 310.26 324.95 331.89 372.22 377.26 423.55 446.86 470.53 494.99 499.17 508.44 530.67 551.72 556.27 628.93 651.32 658.37 664.47 672.96 681.92 699.28 721.20 742.97 755.82 778.81 792.85 817.47 859.57 891.37 926.84 934.68 955.73 993.22 1006.07 1042.16 1062.12 1069.92 1072.86 1102.87 1116.95 1147.65 1155.37 1193.33 1203.32 1218.58 1239.83 1278.37 1312.04 1323.69 1334.34 1345.28 1353.15 1357.83 1376.48 1384.92 1427.70 1458.79 1504.41 1511.07 1553.11 1568.21 1569.56 1582.32 1583.72 1599.99 1604.24 1607.77 1612.63 1627.14 1648.31 1665.29 1712.72 1714.05 1734.67 1763.03 1781.29 1800.99 1804.64 1823.60 1837.85 1852.65 1855.02 1865.64 1872.11 1886.13 1895.14 1905.39 1929.02 1930.13 1932.34 1938.43 1965.77 2012.32 2035.08 2062.27 2072.08 2081.64 2082.41 2113.54 2124.13 2133.30 2184.67 2209.59 2219.01 2233.57 2253.71 2281.93 2284.87 2312.80 2348.93 2356.09 2360.77 2361.21 2367.61 2370.53 2372.22 2372.64 2375.88 2400.92 2446.46 2461.83 2554.67 2574.02 2575.85 2601.87 2619.58 2636.28 2858.89 2927.61 4631.19 4678.25 4687.30 4691.58 4708.95 4758.48 4804.55 4815.53 4834.22 4841.71 4845.11 4873.78 4883.91 4886.50 4889.94 4898.79 4907.10 4914.53 4920.47 4921.97 4927.61 4932.28 4941.35 5487.52 0.503346 0.533869 0.534813 0.435710 -2052.808876 -2052.778354 -2052.777410 -2052.876513 3.323931D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2020 DUDE COc1ccc2=C[C@@H](C(=O)[NH+]=c2c1)CN(Cc3ccc(cc3)F)S(=O)(=O)c4cccc(c4)C(=O)OC C39325465 RHF 6-31G(d) (6D,10F) C1 511.133912 |X|Y|Z| 94.806299 109.788212 42.306771 76.079490 26 6 7 16 23 2 1 |36.858105| |13.353265|73.516695| |7.973522|26.209752|36.858105| |5.209533|14.752113|13.222290|36.858105| |3.986346|9.624079|7.944813|14.256433|36.858105| |3.759156|8.292265|6.812974|7.843557|13.145797|36.858105| |2.982709|6.237586|4.600097|5.205538|7.777842|14.158672|36.858105| |2.675436|5.303168|3.730060|3.861677|4.954375|7.605338|12.763862|36.858105| |2.507626|4.928776|3.395158|3.519338|4.407161|6.198461|9.205005|17.511219|0.500000| |2.942424|5.621989|3.937240|3.735820|4.411018|6.632914|7.554550|12.559366|0.254733|36.858105| |2.625349|4.858248|3.256074|3.056501|3.465805|4.700717|5.244478|7.996203|0.193756|16.077550|73.516695| |3.734981|7.137915|5.238205|4.563554|5.133564|7.914189|6.896765|7.684488|0.174836|13.693051|15.177728|53.358707| |3.848761|6.939330|4.820438|3.998720|4.220036|5.740241|5.063629|5.663916|0.137813|9.437099|14.155459|25.916988|0.500000| |4.507034|9.405045|7.962249|6.743681|7.672495|13.142996|7.878973|6.578603|0.152538|7.786238|9.698849|19.203769|0.259882|36.858105| |6.687014|14.265803|13.651555|7.687566|6.729114|7.749517|5.184489|4.455393|0.110271|5.161171|7.361227|10.917422|0.206106|13.800783|36.858105| |2.271164|4.436632|2.996116|3.134452|3.878229|5.128055|7.464397|12.213525|0.246418|7.491158|11.659220|6.981260|0.118052|4.524488|3.421831|36.858105| |1.978076|3.823654|2.516889|2.640860|3.184715|3.933783|5.352398|7.542252|0.213279|5.349670|9.204207|5.348445|0.094856|3.522753|2.806750|13.073515|53.358707| |1.788740|3.386473|2.182106|2.237763|2.598336|3.120696|3.892113|5.203782|0.147197|4.453312|8.523151|4.582639|0.085186|2.952396|2.438838|7.564610|17.525694|36.858105| |1.721869|3.239029|2.067199|2.107945|2.411369|2.844563|3.419263|4.311239|0.113271|3.927349|7.615512|4.202924|0.079643|2.729008|2.298739|6.309364|10.233313|12.569013|36.858105| |1.619736|3.064747|1.941402|2.009341|2.294492|2.625657|3.123086|3.665700|0.095614|3.263861|6.042103|3.659600|0.069255|2.465872|2.111803|5.209723|8.099132|7.492894|13.662585|36.858105| |1.541330|2.894521|1.812328|1.862647|2.089408|2.349017|2.698100|3.062897|0.079050|2.843945|5.288063|3.298837|0.063485|2.240365|1.959262|4.062578|5.775169|4.997790|7.894852|13.788339|36.858105| |1.549441|2.874420|1.790098|1.807720|1.999709|2.260413|2.540103|2.913136|0.074789|2.840109|5.436607|3.317671|0.065051|2.216672|1.955569|3.718542|5.073100|4.454555|6.898972|8.007532|13.791088|36.858105| |1.634679|3.009716|1.882099|1.873185|2.068769|2.385958|2.678893|3.187292|0.081874|3.226540|6.455756|3.689840|0.073133|2.392689|2.094661|4.031147|5.446083|5.016246|7.876950|6.857096|7.899726|13.849559|36.858105| |1.729409|3.203721|2.028949|2.024183|2.269629|2.680441|3.098189|3.891087|0.100891|3.886124|7.997752|4.218572|0.082367|2.675137|2.285149|5.159480|7.285455|7.589879|13.719722|7.956069|6.881970|8.028403|13.735197|36.858105| |1.459609|2.691413|1.656750|1.667535|1.818726|2.019714|2.218713|2.473593|0.063698|2.445150|4.636270|2.944716|0.058381|1.993653|1.793158|3.017349|4.050478|3.400835|4.661886|5.315251|8.173473|14.376725|8.182765|5.317686|97.533100| |1.848151|3.617978|2.358806|2.557767|3.107627|3.606119|4.834626|5.538581|0.165029|3.976665|6.584217|4.382156|0.078195|3.081487|2.529512|7.198513|15.760895|7.055234|5.165360|4.936626|3.682303|3.120722|3.156691|3.856880|5.832622|388.023441| |1.671602|3.252847|2.085117|2.259219|2.681409|2.996487|3.784055|4.132083|0.116242|3.221381|5.474235|3.672988|0.067011|2.606981|2.203847|5.452032|10.174302|6.110992|5.221964|5.757105|4.221294|3.363573|3.229035|3.793480|6.288146|94.770424|73.516695| |2.049123|4.106002|2.726140|3.062942|3.895825|4.488008|6.417741|6.341403|0.186354|4.223374|6.544044|4.820997|0.083694|3.560521|2.875438|6.981851|10.664575|4.986046|4.015255|3.874266|3.107637|2.714673|2.747250|3.242781|5.219049|94.082071|13.691019|73.516695| |1.704283|3.293214|2.112388|2.255067|2.656221|3.020910|3.790506|4.334270|0.141521|3.405656|5.831284|3.849408|0.070407|2.684075|2.261272|4.812818|9.610211|5.848791|4.159911|3.842026|3.008656|2.644949|2.726756|3.308427|5.047842|76.710455|13.110621|12.919319|36.858105| |1.516564|2.906253|1.834032|1.948931|2.245679|2.487010|2.993858|3.327638|0.103654|2.764314|4.835977|3.208938|0.059878|2.248879|1.942996|3.730577|6.937916|4.876151|3.763569|3.636723|2.907687|2.534752|2.563905|3.028864|4.894456|49.572708|11.739937|9.031395|13.732642|36.858105| |1.426132|2.711853|1.693661|1.784606|2.021404|2.213636|2.586373|2.843704|0.089217|2.452859|4.332031|2.905391|0.054945|2.037403|1.788937|3.043737|5.306245|3.864787|3.094279|2.955800|2.460619|2.205905|2.251823|2.616605|4.338967|33.703396|7.932468|6.916940|7.966663|13.742181|36.858105| |1.476983|2.801129|1.748887|1.831332|2.064338|2.267690|2.621743|2.886495|0.093138|2.523104|4.448660|3.010817|0.057095|2.106544|1.853812|2.945185|4.982150|3.558391|2.825074|2.625226|2.215260|2.031745|2.110960|2.459386|4.019875|29.951219|6.592558|6.558685|6.908768|7.933570|13.767337|36.858105| |1.649248|3.143958|1.986081|2.079471|2.371185|2.651803|3.109812|3.472699|0.117705|2.982131|5.184614|3.520873|0.065999|2.452088|2.124739|3.398621|5.738990|3.884710|2.980655|2.699314|2.259099|2.087171|2.198741|2.601254|4.103769|33.751105|6.810001|7.679059|7.965258|6.845048|7.912591|13.682212|36.858105| |1.794383|3.459965|2.224684|2.354384|2.759705|3.166737|3.909876|4.493451|0.159045|3.602403|6.123702|4.107369|0.075133|2.850858|2.398704|4.449946|7.998937|4.913428|3.562010|3.185782|2.588546|2.357774|2.485101|3.003548|4.561772|49.721153|8.790470|10.971588|13.763192|7.896142|6.862751|7.937316|13.776150|36.858105| |1.702072|3.222578|2.023584|2.092232|2.346295|2.610350|2.956301|3.250881|0.110632|2.911406|5.054762|3.536651|0.067058|2.467384|2.168645|3.011152|4.749804|3.230566|2.570148|2.314866|1.985388|1.872907|1.991703|2.326868|3.728486|26.181964|5.381910|6.371459|5.094203|4.455012|5.016948|7.512460|12.751042|7.748785|36.858105| |1.885255|3.575409|2.262788|2.323291|2.607330|2.937021|3.292127|3.614063|0.126403|3.273617|5.592935|4.019028|0.075855|2.800799|2.447465|3.172566|4.811943|3.187912|2.549488|2.274306|1.959879|1.865330|1.999330|2.338364|3.717021|25.570923|5.152820|6.500378|4.568759|3.810536|3.993572|5.262638|8.059666|6.836672|15.982203|73.516695| |1.547264|2.903635|1.795751|1.847205|2.034629|2.220520|2.457528|2.659271|0.086952|2.444287|4.297015|3.027170|0.058316|2.123523|1.906947|2.508944|3.898793|2.741199|2.254070|2.058240|1.794715|1.702180|1.800862|2.068938|3.426215|21.467234|4.629902|5.188446|4.024134|3.834281|4.595050|6.895799|8.131775|5.299389|14.497982|15.288170|73.516695| |1.544389|2.873710|1.759181|1.790457|1.938664|2.095808|2.259221|2.411322|0.077666|2.279036|4.008554|2.892402|0.056418|2.038332|1.863074|2.232533|3.352642|2.362386|1.991301|1.821283|1.613217|1.548226|1.642646|1.864842|3.146521|18.030878|3.935037|4.460690|3.157076|2.990185|3.421665|4.553234|5.189688|3.973474|8.142755|12.764437|23.796261|36.858105| |17.628411|16.400938|6.998180|4.711473|3.778697|3.695553|2.964672|2.705961|0.069364|3.040375|4.870525|5.288915|0.113985|4.554649|6.667140|2.325111|2.728319|1.825739|1.777952|1.670367|1.600370|1.621957|1.716570|1.803956|3.449077|13.144275|2.987399|3.608435|1.690045|1.506172|1.410662|1.452767|1.616153|1.765010|1.654796|3.239914|2.673460|1.493101|0.500000| |17.628640|16.401091|7.002935|4.713829|3.781505|3.699489|2.970091|2.715431|0.071848|3.032677|4.838243|5.287038|0.113438|4.558038|6.671352|2.273195|2.718375|1.811718|1.726647|1.609774|1.523223|1.533434|1.629707|1.737220|3.236687|13.211369|2.963796|3.646026|1.735978|1.541200|1.457802|1.522541|1.709894|1.849691|1.786108|3.549907|2.886591|1.633768|0.297003|0.500000| |17.705250|16.938168|5.930214|4.449273|3.452468|3.182977|2.601610|2.341787|0.061510|2.527194|4.064989|4.202849|0.087854|3.627727|4.904754|2.027850|2.436918|1.629614|1.574915|1.493280|1.428515|1.434314|1.503375|1.579691|3.059951|12.034448|2.747094|3.322630|1.570222|1.409793|1.331892|1.377387|1.526356|1.647443|1.575564|3.080715|2.568051|1.447093|0.299381|0.299363|0.500000| |4.882106|13.672362|8.828969|17.770454|8.983262|5.565563|4.174287|3.221520|0.083165|3.092464|4.639497|4.944121|0.091094|4.891626|5.568307|2.721821|3.200630|2.017528|1.913067|1.845942|1.724619|1.669813|1.714662|1.835176|3.495374|16.527610|3.713518|4.910762|2.071482|1.816100|1.673774|1.713427|1.924075|2.150609|1.936898|3.786512|3.075671|1.684199|0.120009|0.120043|0.123785|0.500000| |3.326593|7.709001|5.625624|9.072890|17.733141|8.776885|7.110766|4.568090|0.115642|3.848768|5.529016|5.674048|0.097202|5.524666|4.878568|3.780866|4.342049|2.576035|2.386731|2.312209|2.097982|1.977332|2.016745|2.207518|4.047633|23.195173|5.047111|7.531486|2.756756|2.337051|2.089853|2.116193|2.414593|2.822365|2.355607|4.589125|3.635974|1.931768|0.087821|0.087888|0.082926|0.214184|0.500000| |2.670696|5.603985|3.975966|4.746733|7.095807|9.046315|17.733228|8.726871|0.208637|5.466891|7.496502|6.758988|0.109420|5.597186|4.178487|6.867769|7.358234|3.831187|3.357436|3.173594|2.719418|2.496796|2.571423|2.950405|4.914415|39.231973|7.618047|15.105738|4.120365|3.232335|2.742748|2.738928|3.221654|4.114511|2.984858|5.780562|4.414188|2.253551|0.073158|0.073307|0.066117|0.111420|0.214637|0.500000| |7.408301|12.657359|8.846910|5.518482|4.882034|5.552907|4.194504|3.892676|0.098207|4.753417|7.200004|9.907902|0.222444|8.953783|17.783075|3.091080|3.515571|2.305752|2.191539|2.001412|1.873561|1.895537|2.048774|2.219668|3.935718|16.380536|3.602974|4.532784|2.093093|1.818074|1.688779|1.754728|1.998532|2.224189|2.055732|4.115331|3.245755|1.799720|0.221240|0.221197|0.145137|0.122970|0.106343|0.096274|0.500000| |2.239752|4.289802|2.859503|2.898786|3.449864|4.486935|5.787809|8.835243|0.187184|7.663540|13.689593|7.004105|0.123505|4.295715|3.324972|17.698328|12.697948|7.700959|7.424614|5.629057|4.500069|4.325399|4.952689|6.620780|7.704489|38.680653|8.137261|8.951793|4.037413|3.301885|2.764074|2.676330|3.025776|3.777060|2.728684|5.093912|4.122797|2.088552|0.064649|0.062256|0.055501|0.070221|0.091502|0.142918|0.085712|0.500000| |2.259726|4.477152|3.020987|3.254452|4.093603|5.179003|7.463039|8.750849|0.182320|5.856736|8.967357|6.190628|0.105510|4.321080|3.342232|17.619038|12.306149|5.939045|5.583604|5.219399|4.186561|3.712607|3.812937|4.558004|6.884615|49.053077|10.205494|12.985666|4.361484|3.501878|2.844790|2.707301|3.052016|3.911468|2.703288|5.014826|4.071006|2.048707|0.064331|0.061865|0.056372|0.079138|0.114266|0.211488|0.082688|0.305043|0.500000| |1.649406|3.120225|1.990056|2.054457|2.367680|2.767281|3.392509|4.261939|0.125363|3.655761|6.862919|3.937415|0.073859|2.598664|2.189160|5.610521|12.490928|17.623511|8.871724|6.744044|4.609926|4.001223|4.299883|5.891045|7.070650|50.734204|11.796334|8.447754|6.866143|6.166369|4.700693|4.114109|4.297547|5.327047|3.409493|5.759190|5.192290|2.462491|0.046469|0.046470|0.042058|0.052050|0.066040|0.095348|0.057595|0.150489|0.132847|0.500000| |1.831912|3.431761|2.208388|2.223249|2.551116|3.102305|3.779789|5.234254|0.152885|4.849214|9.963383|4.879631|0.092179|3.037971|2.509756|6.676082|12.520650|17.601963|8.918475|5.578657|4.190144|4.023656|4.817117|7.412232|7.103539|39.245752|8.249581|7.667980|5.151637|4.305870|3.638745|3.515005|3.926847|4.806175|3.384966|6.031371|5.090739|2.490094|0.051997|0.052021|0.046179|0.055408|0.069044|0.099654|0.066765|0.200893|0.140541|0.304741|0.500000| |1.589735|3.033317|1.922624|2.020297|2.326495|2.626921|3.163103|3.609000|0.095726|3.090589|5.556226|3.503756|0.065651|2.409593|2.064752|5.072581|8.349972|6.924081|8.889127|17.741176|8.966830|5.684486|4.945627|5.651317|9.630368|41.294885|13.949445|7.740624|4.321783|4.166804|3.260423|2.815933|2.862509|3.416114|2.403641|4.153871|3.790968|1.867849|0.045206|0.043844|0.040839|0.051834|0.066214|0.092163|0.053875|0.139685|0.146723|0.191259|0.139844|0.500000| |1.464025|2.755454|1.713829|1.774372|1.980845|2.184041|2.481993|2.729017|0.070780|2.518011|4.599926|2.986317|0.057505|2.065975|1.827995|3.505926|4.955373|4.063515|5.612383|8.868717|17.743513|8.955615|5.646395|4.959023|16.733920|23.920711|7.084334|5.152620|2.772461|2.730691|2.325564|2.080206|2.098844|2.380810|1.847673|3.230576|2.992932|1.517250|0.042137|0.040022|0.037914|0.046053|0.055772|0.070488|0.048461|0.103982|0.103255|0.108186|0.096025|0.214336|0.500000| |1.613682|2.938184|1.822179|1.791298|1.951110|2.238301|2.457417|2.890199|0.074492|3.029405|6.144059|3.545654|0.071707|2.289278|2.034363|3.473472|4.602065|4.084827|5.605826|4.946182|5.641544|8.964828|17.745630|8.842010|16.713726|19.350690|4.876561|4.314179|2.409934|2.273312|2.036583|1.934751|2.016530|2.244526|1.857740|3.332608|3.010445|1.561818|0.047333|0.044741|0.041286|0.045641|0.052432|0.064886|0.055986|0.117293|0.091138|0.099342|0.114216|0.107442|0.124616|0.500000| |1.789245|3.286038|2.082034|2.047086|2.280510|2.726529|3.116637|4.019159|0.105806|4.246176|9.343586|4.537683|0.090088|2.792457|2.381501|4.988111|6.939267|7.057341|8.907149|5.647241|4.955661|5.694787|8.956958|17.704133|9.632418|25.734815|6.050468|5.525308|3.233565|2.922125|2.578722|2.483280|2.664626|3.047656|2.427650|4.382254|3.828862|1.954289|0.051890|0.050356|0.045198|0.051280|0.060845|0.080634|0.064982|0.179295|0.117122|0.152268|0.229444|0.124028|0.107611|0.214113|0.500000| |1.456933|2.791411|1.754893|1.869451|2.147716|2.357414|2.821878|3.098429|0.093057|2.590787|4.544556|3.024233|0.056607|2.129030|1.849710|3.597910|6.576363|4.764457|3.900181|3.979888|3.168392|2.687503|2.650341|3.080281|5.186396|47.338149|13.760301|8.469703|8.919802|17.759208|8.881886|5.639041|4.940870|5.635739|3.561851|5.599931|5.624873|2.563890|0.040363|0.040869|0.037732|0.048624|0.062401|0.085190|0.048113|0.089615|0.096658|0.169158|0.112382|0.132402|0.083926|0.064643|0.080411|0.500000| |1.320926|2.501108|1.549170|1.628657|1.825877|1.977089|2.273838|2.471013|0.075865|2.170994|3.856832|2.603362|0.049646|1.832110|1.627526|2.657247|4.499442|3.364691|2.818304|2.750792|2.338325|2.098741|2.120082|2.416397|4.174849|27.841366|6.959395|5.834877|5.660615|8.929995|17.743056|8.924663|5.635309|4.948695|4.081760|5.924462|7.068187|3.081745|0.036344|0.037425|0.034438|0.042725|0.052468|0.066809|0.042887|0.068197|0.069987|0.112814|0.088054|0.084209|0.062152|0.053534|0.065748|0.214247|0.500000| |1.395021|2.629152|1.626345|1.693166|1.883128|2.046928|2.317295|2.521972|0.080259|2.259716|4.006936|2.742091|0.052555|1.923896|1.716953|2.543319|4.158101|3.020354|2.477928|2.315403|1.994350|1.849936|1.922090|2.206566|3.702969|24.210884|5.480981|5.460865|4.974175|5.647353|8.926303|17.763494|8.918076|5.654384|6.921953|8.599555|13.864357|5.051337|0.038048|0.040046|0.036305|0.044275|0.053440|0.066690|0.045457|0.065237|0.065413|0.095206|0.084124|0.068240|0.052331|0.049464|0.062223|0.124020|0.215105|0.500000| |1.991170|3.865459|2.523720|2.669731|3.178105|3.752501|4.737065|5.538372|0.216670|4.286774|7.045457|4.835952|0.086730|3.348460|2.753572|4.990021|8.360020|4.796520|3.513110|3.092778|2.536354|2.341001|2.494356|3.022115|4.536067|47.092560|8.028326|11.870877|8.868677|5.620056|4.952161|5.662258|8.991332|17.784358|7.283170|13.814309|8.668555|3.902073|0.054203|0.057307|0.050332|0.066730|0.089164|0.135359|0.070219|0.114757|0.118709|0.133622|0.134377|0.090351|0.064487|0.062973|0.086400|0.123839|0.107545|0.124682|0.500000| 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