Version2.0 2020-07-27T23:50:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C)c1ccc(cc1)NC(=S)NC[C@H]2C[C@H]3CC[NH+]2C[C@@H]3C[NH+]4CCN(CC4)c5ccc(cc5)F C43527417 RHF 6-31G(d) (6D,7F) CN(C)c1ccc(cc1)NC(=S)NC[C@H]2C[C@H]3CC[NH+]2C[C@@H]3C[NH+]4CCN(CC4)c5ccc(cc5)F C01[X(C28H41F1N6S1)] 225 C1 626 S=C(Nc1ccc(cc1)N(C)C)NC[C@H]1C[C@H]2CC[NH+]1C[C@@H]2C[NH+]1CCN(CC1)c1ccc(cc1)F S=C(Nc1ccc(cc1)N(C)C)NC[C@H]1C[C@H]2CC[NH+]1C[C@@H]2C[NH+]1CCN(CC1)c1ccc(cc1)F CN(C)c1ccc(NC(=S)NC[C@H]2C[C@H]3CC[NH+]2C[C@@H]3C[NH+]4CCN(CC4)c5ccc(F)cc5)cc1 InChIKey=QAOBMXXYILGUNU-UMTXDNHDSA-P InChI=1S/C28H39FN6S/c1-32(2)25-9-5-24(6-10-25)31-28(36)30-18-27-17-21-11-12-35(27)20-22(21)19-33-13-15-34(16-14-33)26-7-3-23(29)4-8-26/h3-10,21-22,27H,11-20H2,1-2H3,(H2,30,31,36)/p+2/t21-,22+,27-/m1/s1 InChI=1/C28H39FN6S/c1-32(2)25-9-5-24(6-10-25)31-28(36)30-18-27-17-21-11-12-35(27)20-22(21)19-33-13-15-34(16-14-33)26-7-3-23(29)4-8-26/h3-10,21-22,27H,11-20H2,1-2H3,(H2,30,31,36)/p+2/t21-,22+,27-/m1/s1/fC28H41FN6S/h30-31,33,35H/q+2 CN(C)c1ccc(cc1)NC(=S)NC[C@H]2C[C@H]3CC[NH+]2C[C@@H]3C[NH+]4CCN(CC4)c5ccc(cc5)F C01[X(C28H41F1N6S1)] 225 C01 626 S=C(Nc1ccc(cc1)N(C)C)NC[C@H]1C[C@H]2CC[NH+]1C[C@@H]2C[NH+]1CCN(CC1)c1ccc(cc1)F S[C]([NH][C]1[CH][CH][C]([CH][CH]1)N(C)C)NC[C@H]1C[C@H]2CC[N@@H]1C[C@@H]2C[NH]1CC[N@](CC1)[C]1[CH][CH][C]([CH][CH]1)F CN(C)[C]1[CH][CH][C]([CH][CH]1)N[C](S)NC[C@H]2C[C@H]3CC[N@@H]2C[C@@H]3C[NH]4CCN(CC4)[C]5[CH][CH][C](F)[CH][CH]5 InChIKey=PBMKMYLVPWBTAZ-UMTXDNHDSA-N InChI=1S/C28H42FN6S/c1-32(2)25-9-5-24(6-10-25)31-28(36)30-18-27-17-21-11-12-35(27)20-22(21)19-33-13-15-34(16-14-33)26-7-3-23(29)4-8-26/h3-10,21-22,27,30-31,33,35-36H,11-20H2,1-2H3/t21-,22+,27-/m1/s1 InChI=1/C28H42FN6S/c1-32(2)25-9-5-24(6-10-25)31-28(36)30-18-27-17-21-11-12-35(27)20-22(21)19-33-13-15-34(16-14-33)26-7-3-23(29)4-8-26/h3-10,21-22,27,30-31,33,35-36H,11-20H2,1-2H3/t21-,22+,27-/m1/s1 3863.4238385843 -1907.3292044 1-A 39636.3494 137 489 626 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.06232 -26.44139 -15.94242 -15.89995 -15.80195 -15.78601 -15.76351 -15.69169 -11.56150 -11.54432 -11.53500 -11.52297 -11.52077 -11.51985 -11.50847 -11.50729 -11.49647 -11.48294 -11.47835 -11.47554 -11.46795 -11.46536 -11.46317 -11.42671 -11.40748 -11.40017 -11.39705 -11.39466 -11.38391 -11.38137 -11.37222 -11.36992 -11.36390 -11.36240 -11.34754 -11.34605 -9.07491 -6.75823 -6.75510 -6.75475 -1.76258 -1.58324 -1.56693 -1.51336 -1.45567 -1.41692 -1.38018 -1.36578 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1324.14 1337.25 1342.23 1356.47 1375.18 1403.97 1430.58 1454.47 1473.04 1477.04 1494.06 1504.77 1515.16 1544.30 1548.87 1551.87 1564.95 1581.71 1581.92 1593.49 1597.44 1617.83 1618.78 1628.56 1637.62 1642.13 1672.67 1684.24 1692.15 1704.20 1710.32 1734.48 1760.03 1776.97 1783.65 1785.16 1796.31 1799.35 1827.50 1831.84 1839.80 1842.82 1868.66 1876.90 1880.02 1881.61 1916.87 1921.72 1934.84 1959.44 1991.54 1999.58 2004.52 2009.40 2028.67 2031.24 2041.97 2049.04 2064.86 2076.86 2086.02 2100.97 2114.48 2123.48 2123.70 2131.72 2140.84 2157.00 2160.12 2165.51 2178.30 2184.18 2189.25 2203.51 2211.85 2238.40 2246.90 2251.44 2255.33 2277.99 2279.46 2286.36 2294.59 2303.27 2315.19 2332.10 2335.88 2352.97 2357.22 2357.64 2360.14 2360.31 2366.11 2369.76 2372.60 2375.79 2381.74 2387.28 2395.49 2401.93 2415.86 2419.33 2440.80 2443.96 2470.74 2504.11 2526.29 2572.86 2597.96 2614.79 4502.91 4514.89 4527.43 4596.27 4607.29 4656.74 4676.11 4678.63 4679.24 4680.14 4686.20 4693.67 4707.17 4712.42 4715.57 4723.03 4729.78 4737.55 4743.15 4746.21 4756.77 4759.75 4762.41 4767.68 4783.01 4800.18 4810.78 4815.25 4824.39 4837.51 4838.30 4843.96 4858.48 4876.36 4906.74 4910.11 4930.15 4934.21 5300.01 5465.61 5508.70 0.729836 0.761647 0.762591 0.660071 -1906.599368 -1906.567557 -1906.566613 -1906.669133 3.438538D-04 MUNgauss RevisionA2.0 retrievium 27-Jul-2020 DUDE CN(C)c1ccc(cc1)NC(=S)NC[C@H]2C[C@H]3CC[NH+]2C[C@@H]3C[NH+]4CCN(CC4)c5ccc(cc5)F C43527417 RHF 6-31G(d) (6D,10F) C1 512.309746 |X|Y|Z| 177.243855 84.653630 32.474535 78.690065 31 6 7 26 5 |36.858105| |13.137598|53.358707| |7.623854|17.891777|36.858105| |7.806835|18.984821|7.809524|36.858105| |6.733014|10.717746|5.090376|13.529244|36.858105| |4.529542|7.052975|3.916865|7.853259|13.835319|36.858105| |3.763197|6.207410|3.763055|6.776060|7.940831|13.766536|36.858105| |3.916383|7.052401|4.527995|7.854781|6.898078|7.982315|13.776757|36.858105| |5.088737|10.716654|6.731839|13.531899|7.929228|6.894294|7.938067|13.825688|36.858105| |2.946792|4.617932|2.947414|4.483258|5.127316|7.773433|13.240447|7.788330|5.129907|53.358707| |2.594250|3.974700|2.578697|3.679305|4.155103|5.767153|7.715743|5.617864|4.096185|19.638168|36.858105| |2.639327|4.011635|2.592500|3.633829|4.071381|5.237512|6.115013|4.924421|3.915783|9.754946|11.187544|388.023441| |2.211383|3.326546|2.208884|2.960461|3.271229|4.240793|5.224239|4.227101|3.264036|11.461263|14.016573|50.439159|53.358707| |1.951869|2.877158|1.925929|2.483662|2.733998|3.380947|3.853653|3.259322|2.667391|7.149305|7.599750|42.732278|17.877787|36.858105| |1.795857|2.660468|1.815463|2.258393|2.409481|2.864795|3.279384|2.945564|2.456595|5.651716|5.630280|37.648128|10.297873|12.381145|36.858105| |1.808314|2.712970|1.871551|2.308890|2.417156|2.859498|3.375927|3.120512|2.569144|5.843630|5.626052|35.639691|10.195042|8.965753|17.620920|0.500000| |1.573870|2.300134|1.583044|1.913107|2.031123|2.352947|2.609010|2.384295|2.050868|4.300652|3.927051|26.836936|6.758733|7.337855|12.357794|0.243981|36.858105| |1.489249|2.170066|1.504404|1.782155|1.872173|2.123169|2.324462|2.167638|1.902197|3.676017|3.284598|24.249946|5.170766|4.980969|7.592766|0.174386|12.375917|36.858105| |1.374503|1.992375|1.388425|1.621797|1.697344|1.904853|2.067174|1.942151|1.723388|3.228693|2.801768|20.346890|4.379113|4.064221|5.529121|0.135929|8.812592|17.595048|0.500000| |1.530731|2.210398|1.518310|1.810603|1.923926|2.176261|2.329736|2.144685|1.901361|3.622533|3.260686|25.646320|4.906658|4.719890|6.274566|0.137481|7.674247|12.398186|0.244166|36.858105| |1.743671|2.531376|1.716431|2.104507|2.264419|2.608764|2.802791|2.527008|2.209286|4.405192|4.169968|35.512117|6.080033|5.940768|7.610177|0.156691|6.834476|7.645034|0.153781|12.373468|36.858105| |1.847689|2.736872|1.865411|2.310945|2.454892|2.873399|3.235143|2.942391|2.496923|5.264111|5.240015|43.513495|7.848087|7.512725|12.618917|0.255350|7.792915|7.558434|0.146870|7.722936|12.711535|53.358707| |2.050943|3.064607|2.066661|2.629033|2.812058|3.347843|3.822434|3.420291|2.853690|6.240297|6.596737|64.124938|8.874026|7.460089|9.278379|0.217589|5.738523|5.358418|0.114105|5.673813|9.230352|25.036811|0.500000| |1.724239|2.568253|1.786254|2.134861|2.204615|2.504212|2.830670|2.700120|2.334918|4.419101|4.072862|33.094846|5.897627|5.011113|7.779228|0.213322|6.349306|7.628362|0.153472|6.778292|7.792598|17.453733|0.253130|36.858105| |1.524533|2.248257|1.575099|1.845447|1.903966|2.141596|2.387138|2.284096|2.002172|3.724627|3.301738|24.872262|5.014799|4.412314|6.827845|0.186829|7.605434|12.271294|0.242844|7.514110|6.312246|10.518559|0.156765|12.279025|36.858105| |1.504413|2.229820|1.571712|1.832613|1.877643|2.113564|2.385898|2.305397|2.008764|3.754722|3.274789|23.470470|5.087988|4.345596|6.627360|0.205879|7.360273|8.911235|0.207308|5.542916|4.944186|8.604306|0.137822|8.807747|17.582116|0.500000| |1.401112|2.053895|1.451833|1.659883|1.697188|1.870180|2.050573|1.992000|1.786843|3.100003|2.655843|20.365332|3.887817|3.277063|4.427626|0.121931|4.930176|7.485334|0.197198|5.985603|4.807631|6.930259|0.115424|7.369958|12.421139|0.247314|36.858105| |1.386153|2.045193|1.463577|1.642046|1.652234|1.798334|1.982880|1.970694|1.783404|2.943806|2.466656|18.895798|3.525177|2.827338|3.648513|0.105964|3.772408|4.858681|0.128992|4.161464|3.738394|5.629186|0.100577|5.980586|7.407723|0.190234|12.657035|53.358707| |1.477491|2.194188|1.571712|1.766879|1.768703|1.923860|2.135206|2.137913|1.931371|3.150025|2.649401|20.729006|3.713988|2.925118|3.764489|0.110728|3.671858|4.547807|0.115000|4.055128|3.882022|6.053978|0.110945|6.794406|6.998811|0.177110|9.228748|25.687048|0.500000| |1.286867|1.883598|1.353528|1.493811|1.499637|1.610665|1.747849|1.742294|1.604505|2.549049|2.100893|16.219322|2.957946|2.353146|2.890197|0.081948|3.011982|3.793822|0.104909|3.508186|3.137924|4.445210|0.081829|4.277070|4.909932|0.125320|7.675421|17.115049|0.259166|36.858105| |1.258376|1.847934|1.342626|1.454333|1.442378|1.532570|1.664719|1.686035|1.568663|2.393994|1.937780|14.860676|2.692471|2.085322|2.490921|0.071959|2.525141|2.996110|0.082223|2.790127|2.607157|3.762557|0.071547|3.506047|3.766619|0.101345|4.973313|10.388968|0.198669|12.524861|36.858105| |1.222480|1.800542|1.314771|1.417841|1.400746|1.489993|1.629142|1.659158|1.539203|2.353796|1.888440|14.116973|2.651712|2.037582|2.426674|0.071484|2.475472|2.858046|0.079463|2.567880|2.398042|3.531625|0.067144|3.243739|3.577944|0.101909|4.472780|9.048233|0.166625|7.865075|13.192133|53.358707| |1.304773|1.937513|1.414199|1.539353|1.517994|1.627924|1.805861|1.846195|1.691236|2.636754|2.124350|15.675070|3.007841|2.296299|2.786145|0.084510|2.802585|3.182562|0.086912|2.757018|2.607468|3.995007|0.075652|3.770254|4.178901|0.125522|4.937455|10.408750|0.198483|6.644221|7.977324|17.969521|36.858105| |1.338495|1.982414|1.429804|1.590071|1.588557|1.727005|1.920422|1.928402|1.741817|2.861574|2.355769|17.338249|3.412682|2.684422|3.406751|0.103234|3.544368|4.213416|0.115676|3.440726|3.138368|4.860090|0.088397|4.807175|6.000307|0.187243|7.537898|17.170558|0.258339|7.688362|6.634221|10.694535|12.510582|36.858105| |1.161139|1.708018|1.257545|1.333613|1.308386|1.378685|1.500590|1.541158|1.445539|2.143776|1.694211|12.587237|2.359762|1.788141|2.075635|0.061111|2.098456|2.354011|0.065499|2.152211|2.041424|2.987760|0.057807|2.645709|2.830764|0.080947|3.342979|6.050090|0.118112|5.103362|7.816849|18.000047|7.822064|5.101455|36.858105| |1.073394|1.570033|1.155715|1.221442|1.201815|1.264233|1.367748|1.398739|1.316199|1.955042|1.536995|11.311233|2.153069|1.637144|1.879276|0.054926|1.929132|2.148937|0.060832|1.966349|1.845435|2.664531|0.051443|2.302460|2.502223|0.071781|2.926818|4.960534|0.094423|4.178352|5.528042|10.677294|5.536907|4.180643|13.740278|36.858105| |1.022073|1.492155|1.104309|1.153487|1.130277|1.181115|1.272596|1.307401|1.240063|1.805083|1.405520|10.309487|1.957710|1.475914|1.667344|0.048654|1.699114|1.861863|0.052516|1.723461|1.635525|2.353421|0.045907|1.994637|2.127644|0.060937|2.419350|3.954697|0.077176|3.248019|4.109839|6.993767|4.114004|3.249207|7.919871|13.764816|36.858105| |1.043801|1.527839|1.137631|1.176396|1.145090|1.189982|1.282592|1.328203|1.267365|1.804535|1.397092|10.281314|1.927945|1.438885|1.614324|0.047254|1.619957|1.759442|0.049013|1.642769|1.583499|2.290499|0.045155|1.935471|2.016277|0.057583|2.255005|3.690636|0.074161|2.980154|3.817724|6.189124|3.818988|2.979856|6.928732|8.015161|13.811895|36.858105| |1.122917|1.652507|1.233344|1.274154|1.234604|1.282134|1.388080|1.446239|1.379917|1.946414|1.509086|11.188750|2.067845|1.534761|1.729257|0.050885|1.711773|1.861207|0.051202|1.741749|1.697787|2.479485|0.049154|2.119555|2.169185|0.061786|2.420057|4.059313|0.083717|3.249476|4.344260|6.937273|4.342362|3.247359|7.914998|6.861111|7.889814|13.800744|36.858105| |1.191182|1.758783|1.305085|1.366483|1.328646|1.389587|1.513192|1.571571|1.485913|2.137032|1.674432|12.495192|2.301104|1.717939|1.968542|0.058172|1.947441|2.147725|0.058821|1.993281|1.935540|2.850277|0.056105|2.499286|2.569829|0.073162|2.927659|5.169542|0.107127|4.180588|6.135947|10.477108|6.129358|4.176014|13.709501|7.938585|6.861917|8.015346|13.773645|36.858105| |0.991608|1.447318|1.081687|1.108249|1.076479|1.112983|1.194233|1.238906|1.189834|1.671381|1.284904|9.423078|1.768037|1.313723|1.456780|0.042511|1.459137|1.569020|0.043714|1.475199|1.428906|2.057297|0.040782|1.711889|1.770860|0.050495|1.950520|3.108262|0.062771|2.477095|3.036543|4.707383|3.037421|2.476993|4.682677|5.323661|8.191802|14.445329|8.195928|5.325963|97.533100| |17.564463|12.331968|5.816671|6.885383|6.824762|4.641274|3.734560|3.739365|4.625486|4.018529|2.653888|19.768032|3.058516|2.003000|1.840950|0.051022|1.612133|1.532079|0.039182|1.591737|1.825962|2.607181|0.059328|1.776361|1.562422|0.042508|1.437253|1.926506|0.041950|1.316755|1.282014|1.684398|1.316350|1.355403|1.171489|1.081829|1.027762|1.047942|1.127716|1.199436|2.236015|0.500000| |17.528651|12.264382|6.016102|6.855746|6.657050|4.581681|3.722469|3.752657|4.658979|4.019031|2.565642|18.062803|3.007078|1.945484|1.769556|0.049394|1.557040|1.461859|0.037577|1.498470|1.700113|2.446295|0.055121|1.665955|1.484651|0.040821|1.359769|1.821697|0.039422|1.240620|1.209288|1.604943|1.259751|1.297400|1.119303|1.038671|0.988988|1.006829|1.078754|1.143394|2.153650|0.300151|0.500000| |17.660968|12.517786|7.536673|5.734716|4.897433|3.617839|3.146308|3.329959|4.242742|3.468907|2.280653|16.570164|2.691243|1.765835|1.643754|0.046067|1.454638|1.386143|0.035715|1.422593|1.604935|2.305565|0.051786|1.598189|1.422907|0.039038|1.318987|1.785623|0.038788|1.225881|1.205465|1.595134|1.245265|1.269370|1.119347|1.036903|0.991469|1.015409|1.091574|1.152243|2.178276|0.303177|0.302008|0.500000| |7.538933|12.520257|17.661223|5.735513|4.243766|3.330421|3.146200|3.616815|4.896568|3.469368|2.271462|16.370520|2.689008|1.749447|1.655957|0.047176|1.460438|1.396000|0.035972|1.413825|1.586534|2.320341|0.052042|1.638330|1.456446|0.040281|1.353486|1.858199|0.040577|1.272752|1.265536|1.684796|1.322106|1.332530|1.189252|1.097132|1.052392|1.085350|1.173456|1.235414|2.331110|0.159186|0.163693|0.253128|0.500000| |6.009079|12.267775|17.526233|6.866394|4.665503|3.757457|3.726357|4.584389|6.664690|4.023959|2.546574|17.660575|3.004536|1.910632|1.797534|0.051847|1.570612|1.483159|0.038124|1.482855|1.665626|2.479654|0.055726|1.747913|1.553008|0.043380|1.427575|1.961174|0.042840|1.328223|1.319505|1.771898|1.406294|1.420403|1.247587|1.149235|1.099603|1.132293|1.225031|1.293710|2.425378|0.129655|0.149285|0.163233|0.302044|0.500000| |5.820266|12.331522|17.558750|6.876974|4.620553|3.734351|3.729465|4.633744|6.813017|4.015445|2.626223|19.170509|3.050582|1.959349|1.872420|0.053889|1.626420|1.556841|0.039810|1.569931|1.778116|2.647240|0.060054|1.882769|1.647497|0.045617|1.523282|2.106483|0.046473|1.431002|1.426647|1.897206|1.501021|1.508973|1.334214|1.219435|1.164697|1.204777|1.314009|1.392826|2.573083|0.138560|0.129747|0.159476|0.303154|0.300140|0.500000| |7.642702|9.692326|4.629130|8.823975|17.795569|9.041209|5.677360|4.971698|5.627645|5.690878|3.562825|25.374853|3.954978|2.504687|2.210653|0.060893|1.895939|1.758272|0.044549|1.823633|2.130997|3.074981|0.071029|2.029040|1.771042|0.048283|1.592309|2.102518|0.045696|1.414285|1.358959|1.791496|1.415227|1.480511|1.232416|1.137036|1.071833|1.084747|1.165250|1.249618|2.300732|0.236647|0.223464|0.148728|0.113781|0.116036|0.114345|0.500000| |3.954612|5.713153|3.274645|5.613552|8.978389|17.719036|8.922787|5.664104|4.963199|9.711824|5.767330|37.076751|5.955634|3.571563|2.931057|0.079349|2.424935|2.170144|0.054105|2.250839|2.711120|3.971201|0.093765|2.485876|2.144046|0.058398|1.866364|2.409908|0.052237|1.588750|1.498781|1.978367|1.581237|1.692002|1.340495|1.234220|1.151098|1.154176|1.237879|1.342257|2.428306|0.115757|0.113897|0.089767|0.080095|0.087444|0.086736|0.219476|0.500000| |3.273768|5.711919|3.952585|5.613552|4.964327|5.663098|8.925518|17.708377|8.974771|9.739086|5.507727|33.393370|5.918883|3.328356|3.090900|0.093847|2.487044|2.256961|0.056128|2.189450|2.553777|4.151226|0.097520|2.861762|2.421215|0.068883|2.100309|2.857910|0.063528|1.837056|1.786488|2.413807|1.998791|2.080686|1.645776|1.486949|1.387073|1.410978|1.542194|1.681624|2.952226|0.086823|0.087334|0.080072|0.089727|0.113922|0.115577|0.107830|0.124333|0.500000| |4.627028|9.690150|7.638077|8.824468|5.627349|4.969545|5.675433|9.032977|17.793196|5.694280|3.496736|24.068559|3.942660|2.414735|2.276547|0.066785|1.924799|1.803250|0.045653|1.789552|2.050442|3.155487|0.072592|2.219255|1.918526|0.053756|1.730933|2.382432|0.052740|1.582038|1.563967|2.098170|1.693683|1.722236|1.458985|1.327013|1.256068|1.291358|1.410470|1.511795|2.735260|0.114419|0.115897|0.113734|0.148660|0.223533|0.236236|0.123271|0.107808|0.219298|0.500000| |2.752979|4.260321|2.765182|4.017147|4.510085|6.362267|9.175019|6.503352|4.559359|25.942507|9.574051|38.065747|10.866076|5.023263|3.921351|0.113984|3.076016|2.586096|0.063926|2.503986|2.954565|4.748767|0.109904|2.974524|2.593441|0.073773|2.164087|2.796389|0.060399|1.782100|1.677259|2.266756|1.868252|2.027138|1.522694|1.397682|1.293555|1.290125|1.384180|1.513217|2.695348|0.075466|0.078083|0.066766|0.066964|0.078661|0.075883|0.105159|0.168984|0.175255|0.106617|0.500000| |2.163399|3.248614|2.169119|2.878889|3.163847|4.065273|4.995928|4.102209|3.180761|10.907045|9.489376|37.904955|25.987434|9.199222|5.996628|0.173099|4.425498|3.384334|0.082116|3.150970|3.699314|6.191526|0.136017|3.662575|3.270943|0.094453|2.592958|3.236052|0.068856|2.012755|1.849387|2.508618|2.090449|2.350977|1.654467|1.520700|1.389709|1.368086|1.460183|1.613748|2.834577|0.060357|0.060736|0.053840|0.053937|0.061013|0.060552|0.078257|0.116262|0.118289|0.078852|0.256012|0.500000| |1.820170|2.661314|1.791918|2.271597|2.492376|3.034861|3.399199|2.915625|2.424189|6.159613|5.780023|32.269571|12.739765|17.605940|8.991303|0.202913|7.277612|4.678393|0.111471|4.270238|4.847324|7.630060|0.147542|4.178761|3.994656|0.112608|3.040113|3.570144|0.073929|2.205614|1.960341|2.637743|2.176986|2.544146|1.710091|1.582454|1.430398|1.387940|1.468483|1.634047|2.860169|0.051571|0.050841|0.045973|0.045473|0.049751|0.050282|0.064090|0.089576|0.082880|0.061461|0.128095|0.244503|0.500000| |1.988573|2.892345|1.913528|2.487579|2.795424|3.460008|3.765030|3.120949|2.605466|6.678053|6.984988|45.092642|12.401829|17.615719|8.734531|0.176066|6.254016|4.686139|0.107107|4.926802|6.651274|9.719971|0.204815|4.627361|4.026538|0.105527|3.106646|3.623956|0.076562|2.264747|2.000769|2.624760|2.134657|2.473270|1.698602|1.559212|1.410086|1.376187|1.466047|1.635282|2.835207|0.057372|0.055064|0.049835|0.048524|0.052234|0.053894|0.072207|0.104789|0.085964|0.065012|0.126577|0.190041|0.304459|0.500000| |1.508673|2.209963|1.532930|1.831708|1.927131|2.218803|2.477779|2.295781|1.976899|4.078638|3.593498|23.573165|6.244778|6.137913|8.828842|0.227169|17.582560|8.723048|0.216607|5.542741|4.953849|7.859572|0.128522|5.286493|6.648347|0.209033|4.576363|4.972385|0.097161|2.911413|2.479298|3.397145|2.866040|3.639647|2.124506|1.967936|1.732987|1.644480|1.727932|1.960434|3.333235|0.042609|0.041590|0.038861|0.039302|0.042558|0.043683|0.049885|0.063023|0.067292|0.051927|0.082950|0.120052|0.185149|0.139996|0.500000| |1.548465|2.240061|1.531634|1.858067|1.997039|2.316295|2.515923|2.264912|1.963219|4.133103|3.728774|25.347855|6.394822|7.180052|8.743005|0.175760|17.558544|8.842052|0.207270|7.295273|6.455252|8.535592|0.138579|4.921475|5.532357|0.145477|4.071199|4.338304|0.086135|2.660391|2.253301|2.992665|2.434211|2.987674|1.892781|1.759640|1.564407|1.492477|1.567265|1.763550|3.047326|0.044201|0.042786|0.039718|0.039402|0.042162|0.043411|0.052287|0.067449|0.064603|0.050900|0.082763|0.118478|0.216992|0.186964|0.303906|0.500000| |1.470865|2.119122|1.464191|1.719212|1.811359|2.017687|2.145354|2.003384|1.800438|3.258780|2.869079|23.041634|4.179440|3.784813|4.818843|0.113774|5.525566|8.714109|0.205756|17.586470|8.766929|8.303383|0.134253|6.201487|6.897324|0.139644|6.649284|6.155093|0.121038|3.968565|3.055806|3.715526|2.857115|3.546968|2.268631|2.066896|1.801585|1.712478|1.816803|2.089613|3.446708|0.042559|0.039812|0.038183|0.038044|0.039591|0.042226|0.047887|0.057555|0.056787|0.047419|0.062423|0.075498|0.095847|0.109340|0.122673|0.144695|0.500000| |1.475130|2.110952|1.445200|1.722412|1.844647|2.083628|2.198155|2.006929|1.790028|3.412414|3.023859|23.191909|4.585495|4.444338|5.337001|0.117631|6.855354|8.824790|0.216426|17.603884|8.809431|7.912694|0.129079|4.952551|5.484146|0.124097|4.671074|4.684857|0.092282|3.018309|2.455732|3.111427|2.424536|2.959027|1.949379|1.807948|1.599081|1.521492|1.598831|1.807435|3.097229|0.042652|0.040342|0.038104|0.037531|0.039250|0.041231|0.048994|0.060582|0.056433|0.046686|0.066257|0.083385|0.116905|0.133260|0.143113|0.214011|0.305496|0.500000| |1.783925|2.583946|1.751259|2.134312|2.287868|2.596273|2.752107|2.506195|2.224338|4.178339|3.866963|35.487865|5.292826|4.716497|5.600776|0.127558|4.977868|5.729939|0.125111|8.650709|17.635765|12.415809|0.229520|7.014926|5.367050|0.118076|4.521385|4.998165|0.108568|3.179467|2.659949|3.256365|2.559935|3.006669|2.046125|1.838730|1.634486|1.592457|1.717183|1.957937|3.235231|0.052297|0.047921|0.045705|0.045087|0.046796|0.050679|0.060072|0.074479|0.069767|0.057468|0.076789|0.090473|0.108658|0.146889|0.108848|0.131415|0.224775|0.186152|0.500000| |1.797904|2.589087|1.735311|2.163408|2.374589|2.774130|2.929839|2.570888|2.241880|4.664534|4.458258|37.070019|6.569720|6.749374|7.161144|0.144135|6.358097|6.076642|0.131973|8.680347|17.679234|12.381658|0.221842|5.665088|4.864394|0.114268|3.836754|4.225546|0.088897|2.669491|2.273389|2.885264|2.295438|2.706741|1.835964|1.677052|1.501482|1.457088|1.554051|1.750650|2.981777|0.052492|0.049037|0.045711|0.044565|0.046775|0.049489|0.062482|0.082015|0.071052|0.057143|0.087085|0.110415|0.152140|0.243799|0.130302|0.187772|0.178158|0.226204|0.304490|0.500000| |1.718589|2.548082|1.774138|2.097682|2.159481|2.414551|2.677331|2.572226|2.270038|4.041253|3.642835|31.446553|5.024490|4.151491|5.654778|0.150538|4.918498|6.142543|0.132893|6.414530|7.479229|12.487419|0.215811|17.583849|8.631542|0.175468|7.163021|8.299954|0.203365|4.627414|3.748652|4.493876|3.689699|4.512594|2.693083|2.324162|2.014879|1.965257|2.166592|2.564286|3.906471|0.049518|0.045814|0.044415|0.045423|0.047810|0.052215|0.055597|0.066505|0.074729|0.060151|0.074898|0.087630|0.097569|0.112397|0.115642|0.114435|0.183078|0.131180|0.222659|0.148706|0.500000| |1.798169|2.716678|1.904513|2.271740|2.309640|2.622391|3.044568|2.974705|2.540386|4.747290|4.318384|34.120259|6.126462|4.786628|6.956387|0.225468|5.335633|5.677912|0.124276|4.936185|5.678451|12.436766|0.228519|17.611709|8.615742|0.224459|5.972832|7.717350|0.189349|4.036343|3.502211|4.530713|4.027932|4.952456|2.741505|2.355258|2.048424|2.008761|2.225552|2.634310|3.992263|0.051085|0.048101|0.046273|0.048173|0.051991|0.056164|0.058297|0.070930|0.089829|0.067574|0.088437|0.106475|0.111210|0.118341|0.133541|0.116975|0.127521|0.108731|0.147773|0.127451|0.301934|0.500000| |1.308605|1.908428|1.351470|1.535090|1.571461|1.726391|1.881206|1.825147|1.644998|2.844200|2.404058|17.987749|3.562297|3.013165|3.947416|0.108335|4.689129|6.975586|0.218312|5.369941|4.125501|5.750147|0.097366|5.428092|8.831526|0.212529|17.626637|12.473286|0.181665|6.950406|4.627572|5.946735|4.677590|7.129354|3.297055|2.987074|2.454508|2.242429|2.355821|2.814756|4.371435|0.037199|0.035435|0.034309|0.035127|0.037046|0.039196|0.041148|0.048057|0.053344|0.044337|0.055838|0.067180|0.079982|0.079335|0.126316|0.110457|0.162903|0.124756|0.106054|0.095554|0.143154|0.128847|0.500000| |1.403218|2.045357|1.440396|1.646724|1.690799|1.854729|2.008137|1.941032|1.755391|3.002805|2.575388|20.352717|3.699005|3.124933|4.077681|0.108129|4.445237|6.714536|0.174527|6.526895|5.141781|6.770771|0.114593|6.777660|8.782108|0.173822|17.631984|12.455972|0.217961|7.499078|4.784378|5.482232|4.172496|5.584543|3.103323|2.732917|2.290223|2.150347|2.308812|2.764097|4.214829|0.040227|0.037735|0.036721|0.037423|0.039103|0.041993|0.044317|0.051642|0.056197|0.047103|0.057772|0.068051|0.079792|0.084901|0.110361|0.106858|0.233066|0.139314|0.141692|0.111701|0.211413|0.147240|0.302709|0.500000| |1.213818|1.767918|1.269122|1.399416|1.410349|1.515486|1.636937|1.623299|1.496282|2.396704|1.967520|14.958068|2.802200|2.249443|2.742495|0.077136|2.956879|3.743779|0.108462|3.410964|2.947878|4.095025|0.074773|3.783611|4.580986|0.119159|7.138240|12.373899|0.182102|17.635307|8.835777|9.649570|5.842335|7.011390|4.829932|4.269617|3.283073|2.911452|3.056502|3.805390|5.476545|0.034463|0.032648|0.032149|0.033235|0.034690|0.037069|0.037088|0.041738|0.047410|0.040920|0.046915|0.053411|0.059455|0.060178|0.080457|0.073337|0.106990|0.083393|0.081522|0.070625|0.109921|0.098040|0.213134|0.189349|0.500000| |1.311488|1.912364|1.368117|1.514636|1.526751|1.636931|1.762466|1.747394|1.615405|2.556597|2.117351|16.708022|2.949768|2.358240|2.872258|0.079712|2.965877|3.779483|0.102776|3.710429|3.335178|4.566867|0.084510|4.334168|4.722655|0.114614|7.163855|12.312287|0.225613|17.623679|8.788236|7.690694|4.972334|5.609526|4.165987|3.508457|2.853946|2.674774|2.920980|3.633836|5.108820|0.037480|0.035037|0.034690|0.035795|0.037083|0.040200|0.040136|0.044993|0.050735|0.044073|0.049299|0.055316|0.060872|0.064068|0.077706|0.073751|0.121423|0.088180|0.096716|0.078075|0.138281|0.110150|0.171457|0.233892|0.299334|0.500000| |1.190709|1.738176|1.264207|1.359022|1.348875|1.424800|1.533594|1.550789|1.454742|2.191456|1.762279|13.518414|2.440863|1.890640|2.218723|0.063346|2.265524|2.669833|0.074196|2.540311|2.364664|3.334482|0.063807|3.000131|3.208570|0.085752|4.148283|7.593277|0.145126|9.001197|17.620758|12.503769|5.734508|4.963264|7.327258|5.730554|4.338564|3.973320|4.377367|5.818848|7.130163|0.033736|0.031797|0.031797|0.033271|0.034465|0.037237|0.035498|0.038808|0.045332|0.040318|0.042737|0.046765|0.049655|0.050842|0.061704|0.057091|0.077844|0.063186|0.067433|0.057948|0.089537|0.082226|0.111087|0.115350|0.216397|0.212056|0.500000| |1.327859|1.958867|1.427288|1.540634|1.519069|1.608019|1.750658|1.786713|1.667672|2.496147|2.017678|15.688820|2.762535|2.113093|2.509356|0.072818|2.472805|2.888859|0.077341|2.738727|2.642908|3.860024|0.074742|3.618600|3.658184|0.097670|4.574817|9.276847|0.207974|8.853528|17.416151|12.195160|7.065536|5.757029|6.670494|4.668949|3.724703|3.674074|4.412939|6.288574|6.675393|0.037609|0.035265|0.035350|0.037316|0.038831|0.042404|0.039644|0.043426|0.052665|0.046350|0.048229|0.052437|0.054595|0.056436|0.066816|0.061277|0.082884|0.066573|0.076094|0.063944|0.110072|0.102663|0.112889|0.124997|0.173345|0.215356|0.302336|0.500000| |1.260938|1.872543|1.372403|1.484898|1.460513|1.563983|1.737093|1.782410|1.634605|2.538358|2.021815|14.618680|2.881471|2.181901|2.606256|0.079712|2.636781|2.905824|0.080354|2.496920|2.364742|3.623843|0.069013|3.295266|3.668654|0.113669|4.111003|7.604172|0.144981|4.967500|5.734488|12.511786|17.619927|8.996218|7.337478|5.748408|4.347896|3.977036|4.375957|5.812426|7.135916|0.035172|0.033931|0.033484|0.035668|0.038132|0.040336|0.037825|0.042160|0.053817|0.045640|0.050450|0.056361|0.058193|0.056001|0.076489|0.064057|0.070770|0.061993|0.063860|0.058765|0.087738|0.098382|0.112600|0.097107|0.130892|0.109158|0.128072|0.143666|0.500000| 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