Version2.1 2021-01-15T02:54:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(cc(c1OCC(F)(F)F)C)C[NH+](C)[C@H](C)C(=O)c2c(n(c(=O)n(c2=O)C)C)N C59577836 RHF 6-31G(d) (6D,7F) Cc1cc(cc(c1OCC(F)(F)F)C)C[NH+](C)[C@H](C)C(=O)c2c(n(c(=O)n(c2=O)C)C)N C01[X(C21H28F3N4O4)] 174 C1 536 Cc1cc(cc(c1OCC(F)(F)F)C)C[NH+]([C@@H](C(=O)c1c(N)n(C)c(=O)n(c1=O)C)C)C Cc1cc(cc(c1OCC(F)(F)F)C)C[NH+]([C@@H](C(=O)c1c(N)n(C)c(=O)n(c1=O)C)C)C C[C@@H]([NH+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1)C(=O)C2=C(N)N(C)C(=O)N(C)C2=O InChIKey=WUXWZEWUVNZRBW-CYBMUJFWSA-O InChI=1S/C21H27F3N4O4/c1-11-7-14(8-12(2)17(11)32-10-21(22,23)24)9-26(4)13(3)16(29)15-18(25)27(5)20(31)28(6)19(15)30/h7-8,13H,9-10,25H2,1-6H3/p+1/t13-/m1/s1 InChI=1/C21H27F3N4O4/c1-11-7-14(8-12(2)17(11)32-10-21(22,23)24)9-26(4)13(3)16(29)15-18(25)27(5)20(31)28(6)19(15)30/h7-8,13H,9-10,25H2,1-6H3/p+1/t13-/m1/s1/fC21H28F3N4O4/h26H/q+1 Cc1cc(cc(c1OCC(F)(F)F)C)C[NH+](C)[C@H](C)C(=O)c2c(n(c(=O)n(c2=O)C)C)N C01[X(C21H28F3N4O4)] 174 C01 536 Cc1cc(cc(c1OCC(F)(F)F)C)C[NH+]([C@@H](C(=O)c1c(N)n(C)c(=O)n(c1=O)C)C)C C[NH]([C@@H]([C]([C]1[C]([NH2])N(C(=O)N(C1=O)C)C)[O])C)C[C]1[CH][C]([C]([C]([CH]1)C)OCC(F)(F)F)C C[C]1[CH][C]([CH][C](C)[C]1OCC(F)(F)F)C[NH](C)[C@H](C)[C]([O])[C]2[C](N)N(C)C(=O)N(C)C2=O InChIKey=ZWEOMASBELBDGY-CYBMUJFWSA-N InChI=1S/C21H28F3N4O4/c1-11-7-14(8-12(2)17(11)32-10-21(22,23)24)9-26(4)13(3)16(29)15-18(25)27(5)20(31)28(6)19(15)30/h7-8,13,26H,9-10,25H2,1-6H3/t13-/m1/s1 InChI=1/C21H28F3N4O4/c1-11-7-14(8-12(2)17(11)32-10-21(22,23)24)9-26(4)13(3)16(29)15-18(25)27(5)20(31)28(6)19(15)30/h7-8,13,26H,9-10,25H2,1-6H3/t13-/m1/s1 3333.1614158568 -1626.9881597 1-A 23903.4213 120 416 536 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11.43576
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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 6 6 6 6 6 6 8 6 6 9 9 9 6 6 7 1 6 6 1 6 6 8 6 6 7 6 8 7 6 8 6 6 7 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 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 18.99840 18.99840 18.99840 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 14.00307 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 1.00783
5760.4303 40807.6191 43654.2060 0.99997 0.00753 0.00154 -0.00752 0.99997 -0.00258 -0.00156 0.00256 1.00000 1 0.01504 0.00212 0.00198 0.31330 0.04423 0.04134 20.31 26.10 28.03 40.70 50.40 62.35 77.90 99.51 107.93 125.47 136.80 156.17 172.84 182.63 185.96 198.25 211.42 221.58 239.76 273.92 284.53 334.77 358.31 366.46 373.26 391.15 410.68 416.82 428.74 432.47 456.39 478.37 505.36 544.83 548.48 562.70 569.73 587.44 619.30 646.99 665.67 676.88 693.60 724.01 740.86 750.81 772.76 788.42 791.70 813.33 821.51 835.14 863.69 906.95 928.58 1004.22 1043.28 1066.22 1086.60 1104.49 1123.78 1164.56 1191.26 1195.25 1218.64 1261.59 1264.86 1312.44 1327.08 1373.98 1380.46 1450.40 1454.11 1467.69 1471.14 1510.46 1530.38 1563.39 1575.02 1592.43 1611.33 1626.16 1629.62 1680.77 1690.42 1696.74 1713.47 1723.40 1725.69 1767.29 1812.45 1815.38 1822.30 1843.33 1847.42 1877.46 1894.52 1918.24 1919.59 1962.28 1979.85 1984.87 2012.65 2030.00 2059.30 2072.00 2100.77 2102.01 2107.83 2125.08 2147.97 2208.34 2222.10 2256.82 2257.84 2265.21 2270.55 2286.46 2289.73 2301.58 2306.81 2312.60 2319.71 2334.30 2344.97 2348.54 2349.49 2354.14 2358.99 2362.95 2366.00 2368.09 2375.64 2378.75 2393.16 2394.76 2396.09 2403.59 2407.51 2441.65 2573.51 2598.06 2638.84 2651.72 2737.72 2873.05 4622.34 4639.69 4650.12 4661.43 4684.02 4709.82 4712.49 4714.26 4726.91 4727.80 4755.33 4763.12 4763.75 4764.78 4767.18 4812.74 4814.28 4820.69 4827.79 4829.37 4849.53 4873.42 4874.01 4906.85 4917.90 5275.28 5455.82 5696.19 0.529030 0.559803 0.560747 0.463426 -1626.459130 -1626.428357 -1626.427413 -1626.524734 3.264162D-04
MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE Cc1cc(cc(c1OCC(F)(F)F)C)C[NH+](C)[C@H](C)C(=O)c2c(n(c(=O)n(c2=O)C)C)N C59577836 RHF 6-31G(d) (6D,10F) C1 457.206265 |X|Y|Z| 50.595679 31.064466 142.753086
60.765108 16 6 7 13 3
|36.858105| |12.617540|36.858105| |7.543164|13.759849|36.858105| |5.002294|7.881113|13.695138|36.858105| |4.435615|6.838597|7.951212|13.759094|36.858105| |4.992378|7.807553|6.828453|7.873373|13.695764|36.858105| |7.549421|13.648485|7.993574|6.904168|8.002219|13.712958|36.858105| |6.794903|8.054034|5.263309|4.620918|5.245467|8.006536|13.964766|73.516695| |5.487487|5.877953|4.265982|3.842947|4.302264|5.978981|8.058170|24.202669|36.858105| |4.701206|4.436671|3.381212|3.026177|3.266940|4.186639|5.288481|14.427787|12.619927|36.858105| |3.942203|3.834081|3.022578|2.781740|3.060371|3.918446|4.656496|12.393949|8.134438|14.483067|97.533100| |3.780278|3.591767|2.893075|2.642394|2.833820|3.479497|4.109048|9.672702|8.251619|14.410727|20.058518|97.533100| |5.486399|4.572197|3.441747|2.955826|3.051414|3.749546|4.910932|12.307619|8.138207|14.438799|20.095307|20.061213|97.533100| |3.774789|4.980914|4.430356|5.007093|7.545455|12.611396|7.535147|11.887133|5.631114|4.128243|9.264113|7.905434|7.860982|36.858105| |3.785237|5.024189|7.590895|12.641732|7.580520|5.012670|4.465669|6.016716|2.959188|2.445929|5.130498|4.943673|5.424494|3.783445|36.858105| |3.437657|4.272521|5.983535|7.572756|5.419344|4.041123|3.763437|5.296147|2.737755|2.285925|4.721186|4.734678|5.088086|3.202432|12.571594|53.358707| |3.877541|4.727973|6.797290|7.325515|5.061856|3.994949|3.937179|5.540467|2.879684|2.406622|4.895914|4.979827|5.433930|3.113470|9.319980|25.657000|0.500000| |3.101158|3.847209|4.862649|6.212278|5.337000|4.065019|3.634057|5.207115|2.786300|2.297386|4.730716|4.841745|4.995595|3.353784|7.699121|17.422942|0.258153|36.858105| |2.834149|3.306621|4.317999|4.986137|3.921434|3.110917|2.944297|4.335079|2.258819|1.947886|4.075188|4.074322|4.376534|2.595574|7.654912|17.147403|0.261002|7.546156|36.858105| |2.610174|3.062960|3.916323|4.710071|3.873963|3.038706|2.804662|4.152699|2.148874|1.859967|3.940846|3.883729|4.151105|2.584697|7.440190|12.369463|0.184218|6.542420|17.743204|0.500000| |2.461970|2.780647|3.415800|3.774774|3.179244|2.642925|2.524331|3.826424|2.050315|1.788589|3.730086|3.809534|4.009768|2.277390|4.944098|10.229463|0.186186|6.613578|12.439460|0.245848|36.858105| |2.977526|3.333709|4.360168|4.540396|3.488078|2.882652|2.850746|4.247025|2.191786|1.922976|4.020700|3.998544|4.411115|2.390261|6.263585|10.648920|0.221392|5.045550|12.357686|0.241625|7.638966|36.858105| |3.508753|3.854849|5.153536|4.892917|3.629299|3.064689|3.145815|4.657857|2.400673|2.101471|4.335742|4.348831|4.884086|2.486153|6.074814|10.155470|0.261285|4.882733|8.172129|0.166952|6.021784|15.586189|73.516695| |2.547506|2.771208|3.438802|3.549052|2.883238|2.448327|2.421701|3.702229|1.912632|1.711126|3.623186|3.570242|3.939263|2.088910|4.605066|6.890935|0.138468|3.761630|7.326731|0.188354|5.756363|13.256200|14.417264|36.858105| |2.493993|2.612627|3.142770|3.088343|2.547046|2.232899|2.261835|3.520655|1.819624|1.654445|3.508448|3.451502|3.859649|1.917420|3.708211|5.320187|0.112225|3.048301|4.888715|0.126071|4.202352|7.696349|11.921682|13.441578|36.858105| |2.156540|2.237515|2.610264|2.587756|2.206857|1.962784|1.978670|3.131504|1.625033|1.494886|3.199441|3.132065|3.483202|1.719792|3.034374|4.251609|0.087814|2.557259|3.807636|0.103335|3.432869|5.130715|8.078365|7.926574|14.065876|53.358707| |1.935291|2.035338|2.358317|2.405498|2.094798|1.855115|1.838362|2.918077|1.518801|1.396401|3.008601|2.936243|3.222974|1.648575|2.853677|3.976689|0.079583|2.451828|3.623728|0.103307|3.330082|4.460568|6.712176|6.721898|7.856056|18.464407|36.858105| |1.749653|1.823784|2.073729|2.107803|1.869230|1.677172|1.663839|2.671943|1.395850|1.294259|2.802889|2.730176|2.988059|1.508759|2.441331|3.368751|0.067532|2.131991|2.965580|0.084889|2.785251|3.489900|5.457087|4.736260|5.456226|11.519581|16.027461|73.516695| |1.961878|2.108306|2.476757|2.602882|2.266971|1.971175|1.920487|3.018298|1.571161|1.429891|3.079509|3.007922|3.269961|1.751441|3.202764|4.513611|0.087488|2.773851|4.340970|0.129791|3.955506|5.078400|7.102997|7.870494|6.918364|11.003648|13.933941|15.047879|53.358707| |2.196988|2.407686|2.911990|3.119318|2.647953|2.247898|2.174500|3.358125|1.743679|1.565426|3.347735|3.284048|3.567017|1.965122|4.051537|5.913232|0.111941|3.470461|6.333386|0.192833|5.403980|7.550069|9.262986|13.110848|7.738450|9.306666|7.816744|9.610182|18.764266|36.858105| |2.127165|2.372793|2.866317|3.184688|2.754561|2.305365|2.183733|3.360203|1.752448|1.561979|3.345707|3.287280|3.521249|2.032754|4.242180|6.300965|0.113167|3.832177|7.019710|0.247063|6.140641|6.585887|8.231852|8.101030|5.309387|6.500094|5.440818|7.565568|11.647902|15.809175|73.516695| |1.740592|1.875683|2.165139|2.307939|2.069373|1.810478|1.743616|2.764792|1.447076|1.321475|2.864908|2.793277|3.000612|1.639010|2.795422|3.901349|0.074480|2.507490|3.622761|0.112018|3.432936|3.845717|5.583291|5.066611|4.507940|6.988813|7.810665|12.381617|17.610645|7.836417|12.856902|36.858105| |2.043035|2.066252|2.346641|2.274909|1.968858|1.789816|1.829015|2.941454|1.531891|1.428622|3.064811|2.999422|3.357290|1.580833|2.560291|3.546279|0.074429|2.189217|3.009863|0.081082|2.777901|3.865485|6.575403|5.068097|7.764587|17.634857|7.795409|12.668612|7.038060|4.476675|6.206146|3.901786|36.858105| |2.768806|2.813569|3.356058|3.134755|2.558866|2.284517|2.375583|3.713600|1.919580|1.754560|3.691702|3.651155|4.149142|1.942683|3.582063|5.130010|0.114023|2.952084|4.338705|0.107706|3.781033|6.681558|12.919794|7.943347|14.442308|11.352508|5.293935|7.468410|6.369877|5.160909|7.153418|3.436963|7.031141|53.358707| |17.596574|8.868942|5.837202|4.283567|3.996699|4.637899|6.833085|12.563932|5.393673|5.001774|9.831550|8.684855|13.841603|3.690904|3.333247|4.046593|0.090446|2.706457|2.518229|0.065666|2.197247|2.647157|5.401493|2.327969|2.303138|2.760380|1.831764|2.971994|2.512564|2.037693|3.504664|1.650843|1.942797|3.454082|0.500000| |17.568636|8.818713|5.917741|4.296223|3.954137|4.521420|6.588145|11.699353|6.145678|5.359659|9.410843|9.883028|14.663933|3.580246|3.353427|4.331664|0.100048|2.975519|2.636950|0.067120|2.357027|2.729779|5.687743|2.340342|2.289356|2.712498|1.797365|2.902867|2.481633|2.035154|3.523944|1.628813|1.896687|3.451487|0.303630|0.500000| |17.592219|8.879509|7.270058|4.753563|3.976797|4.159286|5.580943|8.762644|4.206237|3.750924|7.298388|7.131280|9.787842|3.216205|3.823043|4.820657|0.113759|3.082127|2.984876|0.075350|2.580983|3.264041|7.074316|2.790629|2.786004|3.237085|2.093932|3.347057|2.857325|2.351347|3.980024|1.836048|2.265532|4.336790|0.300886|0.302070|0.500000| |7.011914|8.958052|17.691105|8.896382|5.649600|4.927363|5.669627|7.548271|3.602252|3.003307|6.056034|5.896769|7.074986|3.543633|7.043393|8.313361|0.209408|4.602925|4.655287|0.113280|3.639693|5.129104|11.800570|3.946414|3.671221|4.024919|2.598377|4.015545|3.666984|3.187882|5.422221|2.300124|2.651692|5.536920|0.150571|0.154451|0.224154|0.500000| |3.546967|4.932638|5.647030|8.917353|17.694427|8.947411|5.678038|7.522703|3.644091|2.865251|6.166538|5.726400|5.972833|7.037497|7.017773|7.007649|0.126071|5.391335|3.877990|0.110861|3.177066|3.319223|5.897709|2.795746|2.436111|2.909884|2.067540|3.291048|3.088779|2.648865|5.016310|2.107104|1.895334|3.259702|0.090990|0.089992|0.090503|0.124104|0.500000| |4.293754|4.827784|3.794621|3.633792|4.264520|5.959013|6.723911|16.445884|17.605087|9.001767|16.418617|16.842785|13.210164|6.445727|2.850965|3.602842|0.075876|2.769904|2.189441|0.058397|2.003173|2.085948|3.995479|1.826766|1.723383|2.105987|1.459973|2.390693|2.069273|1.686615|3.043316|1.412350|1.452713|2.444924|0.116762|0.128836|0.096517|0.089120|0.104040|0.500000| |5.958741|6.209500|4.542752|3.975140|4.250874|5.507247|7.439937|16.417678|17.596942|9.006857|13.214079|16.768625|16.551052|4.825254|3.071369|3.986888|0.087364|2.998835|2.390729|0.062199|2.188569|2.320583|4.582836|1.999773|1.900120|2.290951|1.563951|2.544878|2.202036|1.806220|3.221631|1.481622|1.583902|2.748255|0.149191|0.204255|0.127418|0.107883|0.099199|0.299835|0.500000| |3.492557|4.429093|3.951358|4.380308|6.133831|8.826861|6.331350|10.699875|5.894078|4.238413|9.280135|8.474549|7.805270|17.539161|3.430873|4.154587|0.082924|3.319239|2.479996|0.068032|2.228518|2.263201|4.189682|1.974353|1.811921|2.215261|1.562371|2.547207|2.260285|1.861964|3.437720|1.559815|1.499040|2.501449|0.093394|0.095767|0.083090|0.089904|0.163950|0.209447|0.142886|0.500000| |3.751510|4.678635|3.982850|4.226771|5.700871|8.861532|7.015011|13.150665|5.948122|4.583084|10.986755|8.475701|8.554973|17.607319|3.276738|3.803961|0.076505|2.856975|2.324381|0.064272|2.051330|2.190083|4.069061|1.942914|1.810604|2.228115|1.566053|2.564273|2.242474|1.826529|3.326474|1.543526|1.520625|2.512404|0.106489|0.098737|0.087832|0.090707|0.145755|0.187243|0.131916|0.301946|0.500000| |3.238263|4.177240|3.981972|4.746093|7.201248|8.873847|5.619944|8.768855|4.265674|3.357043|7.660733|6.619452|6.589438|17.591409|3.803610|4.314357|0.083339|3.339344|2.610328|0.073762|2.282198|2.370538|4.292238|2.091702|1.903790|2.338991|1.665523|2.713715|2.428142|1.999544|3.716538|1.685223|1.570679|2.588866|0.088194|0.084574|0.079238|0.090661|0.219950|0.132318|0.105724|0.302585|0.301425|0.500000| |3.222210|4.172366|5.591835|8.830522|7.246274|4.745428|3.988478|5.536288|2.748542|2.287525|4.874707|4.657767|5.000965|3.806750|17.629003|12.386791|0.182291|7.294111|6.812064|0.214358|4.669940|5.213609|8.432756|4.163797|3.337686|3.851768|2.752973|4.230925|4.296031|3.951401|7.734763|2.847714|2.386635|4.262737|0.081137|0.080669|0.088802|0.141369|0.221945|0.075268|0.077892|0.095729|0.090586|0.111399|0.500000| |3.719890|4.683472|6.962233|8.894258|5.815120|4.271643|4.014609|5.576496|2.718458|2.305976|4.873980|4.646696|5.207677|3.314606|17.661361|12.380644|0.218782|5.651769|7.534385|0.207418|4.716918|7.430950|12.486656|5.550024|4.431887|4.815801|3.270437|4.888693|4.967450|4.669057|8.271067|3.082301|2.930775|5.757086|0.092374|0.089776|0.108185|0.202832|0.148977|0.071834|0.077868|0.082981|0.082587|0.092449|0.302108|0.500000| |2.719146|3.331667|4.081547|5.303341|4.914018|3.742056|3.249368|4.747736|2.534141|2.115695|4.429142|4.472862|4.570427|3.226459|6.833873|12.321658|0.180639|17.639640|6.991286|0.194243|6.289599|4.558212|7.408553|3.600037|2.889117|3.372907|2.437026|3.787066|3.826462|3.506899|7.194625|2.605874|2.110688|3.710917|0.067517|0.072223|0.074744|0.106891|0.149741|0.071013|0.074187|0.088455|0.076349|0.092329|0.212631|0.144404|0.500000| |2.894228|3.436965|4.170448|4.829013|4.228709|3.463142|3.217933|4.758803|2.611572|2.186321|4.470264|4.681720|4.780940|2.934131|5.601123|12.283084|0.226049|17.691953|6.770168|0.155332|7.299899|4.767348|8.352837|3.602648|2.962300|3.392684|2.381666|3.695234|3.639067|3.311753|6.438371|2.419409|2.148459|3.938544|0.070049|0.078883|0.080730|0.113744|0.116551|0.071984|0.079245|0.082278|0.070763|0.080191|0.145286|0.126488|0.299251|0.500000| |3.439158|4.447719|5.489196|7.256534|6.690202|5.016513|4.344878|6.061287|3.258724|2.602223|5.307571|5.455772|5.570111|4.022644|7.331855|12.384588|0.218803|17.682361|5.552952|0.139467|4.858342|4.225116|7.654923|3.255561|2.741180|3.165815|2.216929|3.468686|3.347195|2.987323|5.727537|2.237339|2.030746|3.693971|0.082620|0.092337|0.092089|0.134584|0.182118|0.090772|0.098110|0.112133|0.092352|0.108994|0.190165|0.146140|0.299411|0.300668|0.500000| |2.309778|2.631992|3.166212|3.593234|3.155730|2.622348|2.454845|3.739739|2.021780|1.757592|3.677142|3.766591|3.895448|2.301334|4.595004|9.058471|0.157231|7.136633|8.746010|0.214144|17.621442|5.513161|8.220414|4.475071|3.434575|3.983048|2.910131|4.438533|4.704114|4.488183|9.533070|3.159280|2.423862|4.250781|0.057633|0.061931|0.066049|0.090515|0.089940|0.055586|0.059740|0.063194|0.057135|0.064656|0.127548|0.116556|0.208966|0.227028|0.141842|0.500000| |2.228169|2.467490|2.973634|3.224776|2.761521|2.337636|2.247362|3.458240|1.851387|1.638062|3.440634|3.495811|3.689975|2.044085|4.130988|7.525031|0.141601|4.856093|8.932748|0.212282|17.647625|7.104299|9.542998|6.327525|4.549816|5.175437|3.790487|5.568350|6.321682|6.446235|13.158994|4.005189|3.006674|5.311666|0.055959|0.059176|0.065286|0.088723|0.076983|0.050215|0.054493|0.055394|0.051756|0.057156|0.110603|0.114968|0.134016|0.143989|0.106404|0.304451|0.500000| |2.564210|2.847383|3.460037|3.663867|3.071084|2.611511|2.549758|3.886930|2.107117|1.841230|3.800124|3.943306|4.151417|2.238937|4.500748|9.345703|0.195217|6.234739|8.756666|0.173122|17.562505|6.930416|11.208963|5.130877|4.036179|4.449436|3.069966|4.619561|4.732124|4.499112|8.405994|2.999364|2.719915|5.218995|0.062843|0.069100|0.075256|0.104052|0.083257|0.056812|0.063356|0.061392|0.056243|0.061369|0.113483|0.118912|0.150928|0.212079|0.133151|0.299345|0.300941|0.500000| |1.631671|1.738254|1.979874|2.082765|1.882294|1.669330|1.618704|2.590861|1.358105|1.250169|2.718983|2.646270|2.847549|1.520850|2.460417|3.400135|0.065874|2.207252|3.048172|0.091980|2.910943|3.285397|4.949823|4.236854|4.074605|6.710130|7.727925|15.000200|12.487518|5.746972|9.190675|17.738190|3.986417|4.356166|0.043279|0.042489|0.047859|0.058425|0.053005|0.036778|0.038534|0.040227|0.040075|0.043342|0.069184|0.075210|0.063224|0.059434|0.055498|0.074899|0.092563|0.072570|0.500000| |1.676056|1.807446|2.079451|2.224136|2.006081|1.756869|1.687590|2.680706|1.414779|1.290475|2.790050|2.743035|2.920756|1.597368|2.688940|3.861422|0.073520|2.535969|3.623682|0.111240|3.624555|3.703593|5.381566|4.668893|4.059038|6.023040|6.090724|9.807325|12.373835|7.019565|12.888769|17.654040|3.459788|4.327375|0.043975|0.043918|0.048929|0.061087|0.056978|0.038497|0.040387|0.042551|0.041633|0.045601|0.076377|0.080433|0.073738|0.068965|0.062294|0.093955|0.121380|0.087285|0.299419|0.500000| |1.760839|1.918597|2.218297|2.405072|2.175624|1.889493|1.799189|2.843512|1.480521|1.347326|2.933943|2.839009|3.044701|1.717250|2.937592|3.990451|0.074835|2.575091|3.650221|0.117536|3.349929|3.735044|5.422393|4.692996|4.055540|5.988910|6.039631|9.692081|12.387892|7.075324|13.033413|17.660478|3.434871|4.322863|0.046553|0.045582|0.051203|0.064658|0.062243|0.040285|0.041876|0.045172|0.044837|0.049480|0.085113|0.089942|0.075521|0.067853|0.064036|0.087374|0.105176|0.080282|0.299406|0.301057|0.500000| |2.018608|2.019247|2.277016|2.184955|1.892892|1.732235|1.782119|2.879318|1.512496|1.414769|3.019279|2.985950|3.335127|1.530757|2.432082|3.442346|0.073285|2.145888|2.901479|0.076581|2.754525|3.710314|6.491875|4.644254|6.884184|12.319250|6.039571|9.930864|6.019926|4.013800|5.712530|3.444560|17.603773|9.554371|0.053042|0.052573|0.062455|0.071755|0.050421|0.039780|0.043710|0.040579|0.040897|0.042021|0.062586|0.076030|0.057004|0.059316|0.055329|0.066558|0.082860|0.076583|0.096808|0.088225|0.084121|0.500000| |1.844670|1.870571|2.101903|2.061132|1.812582|1.654273|1.679088|2.718723|1.420197|1.329962|2.869145|2.801212|3.113121|1.477853|2.311389|3.183633|0.065962|2.002681|2.693644|0.073943|2.520769|3.307672|5.544213|4.259375|5.750297|12.530583|7.819228|15.702540|6.824620|4.079565|5.808742|4.014986|17.754740|6.901168|0.049100|0.047788|0.056139|0.064833|0.048898|0.037602|0.040603|0.038985|0.039583|0.040990|0.060870|0.072607|0.054260|0.054601|0.051718|0.062162|0.076294|0.067971|0.120038|0.097926|0.097017|0.301615|0.500000| |2.165982|2.169810|2.451999|2.343771|2.023812|1.851364|1.908005|3.074301|1.588438|1.486714|3.196465|3.102444|3.515253|1.629110|2.596128|3.509391|0.074101|2.155793|2.894296|0.078018|2.609646|3.715709|6.522032|4.642251|6.883971|12.316993|6.044269|9.954211|6.016070|4.004372|5.692145|3.440534|17.603698|9.561599|0.057641|0.055336|0.067240|0.077399|0.053703|0.041619|0.045456|0.042666|0.043775|0.044826|0.066748|0.083441|0.057460|0.058233|0.056208|0.063665|0.076586|0.071230|0.096952|0.084448|0.087450|0.297479|0.301617|0.500000| |3.159214|3.211608|3.917617|3.557469|2.827279|2.514411|2.644929|4.084516|2.109342|1.910197|3.978301|3.962808|4.530211|2.101805|4.029571|5.901032|0.137560|3.305105|4.808359|0.114134|4.106415|7.701850|18.185203|7.410451|9.545119|8.133368|4.318352|6.241446|5.561901|4.756203|6.930281|3.113119|5.139481|25.976875|0.078652|0.080097|0.102914|0.137689|0.072332|0.054460|0.062251|0.055283|0.055187|0.056656|0.094574|0.131534|0.082606|0.090140|0.084612|0.093015|0.112970|0.119113|0.079563|0.081457|0.081506|0.145203|0.111282|0.145269|0.500000| |2.618905|2.595793|3.000134|2.771105|2.311777|2.103658|2.206468|3.506567|1.819107|1.684812|3.556318|3.514035|4.012970|1.808496|3.065291|4.317172|0.095534|2.572725|3.539473|0.089766|3.181183|4.957529|9.596814|5.756997|9.378799|10.373193|4.880991|7.293572|5.583455|4.240690|6.049132|3.126954|8.156722|26.132222|0.067604|0.066993|0.083964|0.099447|0.060124|0.047183|0.052989|0.047605|0.048176|0.049075|0.075593|0.098570|0.066427|0.070403|0.066708|0.074976|0.091422|0.090259|0.083286|0.080292|0.080050|0.243644|0.155460|0.243093|0.307980|0.500000|
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