Version2.1 2020-12-15T21:09:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCS(=O)(=O)c1ncc(c(n1)Cl)C(=O)NC[C@@H](c2ccc(cc2)C(C)C)[NH+](CC)CC C40986249 RHF 6-31G(d) (6D,7F) CCCCS(=O)(=O)c1ncc(c(n1)Cl)C(=O)NC[C@@H](c2ccc(cc2)C(C)C)[NH+](CC)CC C01[X(C24H36Cl1N4O3S1)] 201 C1 575 CCCCS(=O)(=O)c1ncc(c(n1)Cl)C(=O)NC[C@H]([NH+](CC)CC)c1ccc(cc1)C(C)C CCCCS(=O)(=O)c1ncc(c(n1)Cl)C(=O)NC[C@H]([NH+](CC)CC)c1ccc(cc1)C(C)C CCCC[S](=O)(=O)c1ncc(c(Cl)n1)C(=O)NC[C@H]([NH+](CC)CC)c2ccc(cc2)C(C)C InChIKey=HTDONWSIOANVBF-NRFANRHFSA-O InChI=1S/C24H35ClN4O3S/c1-6-9-14-33(31,32)24-27-15-20(22(25)28-24)23(30)26-16-21(29(7-2)8-3)19-12-10-18(11-13-19)17(4)5/h10-13,15,17,21H,6-9,14,16H2,1-5H3,(H,26,30)/p+1/t21-/m0/s1 InChI=1/C24H35ClN4O3S/c1-6-9-14-33(31,32)24-27-15-20(22(25)28-24)23(30)26-16-21(29(7-2)8-3)19-12-10-18(11-13-19)17(4)5/h10-13,15,17,21H,6-9,14,16H2,1-5H3,(H,26,30)/p+1/t21-/m0/s1/fC24H36ClN4O3S/h26,29H/q+1 CCCCS(=O)(=O)c1ncc(c(n1)Cl)C(=O)NC[C@@H](c2ccc(cc2)C(C)C)[NH+](CC)CC C01[X(C24H36Cl1N4O3S1)] 201 C01 575 CCCCS(=O)(=O)c1ncc(c(n1)Cl)C(=O)NC[C@H]([NH+](CC)CC)c1ccc(cc1)C(C)C CCCCS(=O)(=O)[C]1[N][CH][C]([C]([N]1)[Cl])C(=O)NC[C@@H]([C]1[CH][CH][C]([CH][CH]1)C(C)C)[NH](CC)CC CCCC[S](=O)(=O)[C]1[N][CH][C]([C](Cl)[N]1)C(=O)NC[C@@H]([C]2[CH][CH][C]([CH][CH]2)C(C)C)[NH](CC)CC InChIKey=SHNKBAVZPDLDGY-NRFANRHFSA-N InChI=1S/C24H36ClN4O3S/c1-6-9-14-33(31,32)24-27-15-20(22(25)28-24)23(30)26-16-21(29(7-2)8-3)19-12-10-18(11-13-19)17(4)5/h10-13,15,17,21,29H,6-9,14,16H2,1-5H3,(H,26,30)/t21-/m0/s1 InChI=1/C24H36ClN4O3S/c1-6-9-14-33(31,32)24-27-15-20(22(25)28-24)23(30)26-16-21(29(7-2)8-3)19-12-10-18(11-13-19)17(4)5/h10-13,15,17,21,29H,6-9,14,16H2,1-5H3,(H,26,30)/t21-/m0/s1/f/h26H 3736.2937009794 -2228.9189095 1-A 32605.4786 132 443 575 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-0.00313 0.01386 0.99990 1 0.01414 0.00162 0.00154 0.29454 0.03369 0.03211 10.54 22.55 23.93 29.83 44.25 54.12 67.06 69.25 85.80 87.36 102.17 115.34 128.35 145.32 157.97 167.94 178.71 195.48 206.41 223.10 241.33 262.89 286.40 315.88 326.59 336.60 353.26 358.29 375.02 382.22 385.54 393.80 404.00 421.04 430.01 448.74 474.73 490.99 501.73 552.38 558.03 603.11 625.93 639.86 659.45 664.92 705.40 706.64 721.95 773.46 784.15 794.87 827.81 835.08 851.45 914.87 964.91 985.76 1008.85 1066.03 1095.92 1124.99 1147.30 1165.66 1194.36 1216.90 1236.41 1239.05 1244.22 1259.76 1286.08 1295.01 1341.03 1371.66 1378.30 1379.97 1387.16 1407.09 1415.41 1442.77 1460.55 1462.93 1503.37 1550.46 1553.16 1578.84 1584.18 1599.82 1601.16 1606.09 1612.63 1623.58 1655.26 1677.00 1680.31 1700.31 1728.56 1745.73 1747.68 1749.82 1759.94 1760.39 1766.85 1793.74 1809.34 1858.46 1880.65 1890.72 1899.79 1905.13 1921.37 1934.39 1937.38 1989.75 2008.69 2030.66 2055.32 2056.12 2063.99 2087.30 2095.11 2107.20 2113.76 2125.78 2128.70 2140.70 2143.05 2169.23 2182.32 2203.89 2217.55 2235.00 2239.56 2253.03 2259.16 2266.48 2278.99 2280.42 2287.35 2292.07 2298.67 2328.76 2341.21 2345.76 2352.18 2354.57 2355.69 2358.23 2361.33 2364.26 2367.13 2370.94 2374.41 2377.03 2383.33 2387.18 2392.51 2406.50 2437.63 2462.51 2514.12 2538.63 2586.67 2612.16 2741.44 4597.64 4613.10 4613.37 4619.73 4628.25 4637.22 4645.31 4648.65 4654.72 4700.67 4703.03 4704.12 4704.97 4713.16 4713.63 4717.57 4724.10 4724.79 4740.92 4744.70 4746.86 4753.72 4761.47 4765.35 4787.77 4797.03 4798.89 4823.82 4832.82 4836.77 4850.32 4865.60 4874.14 4877.66 5101.86 5576.56 0.630263 0.664207 0.665151 0.558469 -2228.288647 -2228.254703 -2228.253759 -2228.360441 3.578132D-04 MUNgauss RevisionA2.0 retrievium 15-Dec-2020 DUDE CCCCS(=O)(=O)c1ncc(c(n1)Cl)C(=O)NC[C@@H](c2ccc(cc2)C(C)C)[NH+](CC)CC C40986249 RHF 6-31G(d) (6D,10F) C1 495.219666 |X|Y|Z| 169.787199 50.989036 34.318254 66.727109 16 6 7 13 3 |36.858105| |12.468444|36.858105| |7.503226|12.443145|36.858105| |4.892277|7.546086|12.416069|36.858105| |3.626807|4.642020|7.015910|10.701215|388.023441| |3.425360|4.150258|5.969867|7.245167|94.567796|73.516695| |3.446095|4.170344|6.028953|7.260186|94.751137|13.596427|73.516695| |2.837627|3.548322|4.511126|6.695244|74.838115|13.111855|13.022122|36.858105| |2.435596|2.908646|3.600039|4.718624|51.359563|10.754685|11.315645|14.560891|53.358707| |2.133585|2.513570|2.963256|3.764902|35.057380|7.831869|7.970969|8.575524|19.734473|36.858105| |2.091251|2.486849|2.833381|3.641538|30.421307|6.792046|6.702928|7.204772|10.902371|13.707196|36.858105| |2.369998|2.910085|3.293598|4.478526|34.666539|7.449965|7.171564|8.516994|9.601486|8.120221|13.672757|36.858105| |2.806236|3.580306|4.247090|6.434367|50.274293|9.852242|9.319288|14.500570|11.047389|7.120693|8.062876|14.561515|53.358707| |2.235309|2.721829|2.894602|3.739873|25.817976|5.779578|5.504192|5.013718|5.869032|4.798831|6.976838|11.074911|10.071540|448.794386| |1.809004|2.103309|2.327103|2.852811|22.782562|5.260221|5.222256|4.604380|6.950135|7.605623|12.742178|7.450028|6.909082|48.271832|36.858105| |1.737960|2.013923|2.183256|2.645886|20.280479|4.620961|4.732836|3.897199|5.596053|5.467092|8.028185|6.229428|6.013367|48.451774|15.758752|73.516695| |1.665087|1.904646|2.109080|2.518220|20.419851|4.911435|4.710910|3.902459|6.115631|6.430374|7.904993|5.286166|5.520599|35.899968|14.152089|15.170812|53.358707| |1.480468|1.668379|1.820421|2.119124|16.819160|4.068487|3.969509|3.024225|4.637294|4.439599|5.038865|3.848669|4.250477|28.463475|7.727950|12.112161|17.820930|36.858105| |1.404104|1.576518|1.690968|1.951661|15.007884|3.653613|3.510772|2.628086|3.847790|3.486978|4.085901|3.421153|3.806350|27.661418|5.835585|10.444481|10.252825|12.336833|36.858105| |1.454585|1.639171|1.756815|2.036210|15.583095|3.835737|3.582068|2.737478|3.947026|3.547529|4.243193|3.638326|4.022451|30.049561|5.829753|9.904454|10.132436|8.983405|17.674981|0.500000| |1.268232|1.406099|1.500305|1.699850|13.029149|3.208605|3.079429|2.204150|3.224037|2.815738|3.125302|2.700883|3.133713|21.791466|4.036844|7.192640|6.807427|7.427415|12.554781|0.250239|36.858105| |1.220047|1.346218|1.426869|1.603692|12.163954|3.031263|2.854928|2.021481|2.910154|2.478856|2.737021|2.446334|2.885733|20.137967|3.357881|5.929849|5.452645|5.114690|7.598500|0.206901|13.722415|36.858105| |1.123744|1.229124|1.298347|1.441858|10.911808|2.731404|2.581670|1.777220|2.556321|2.135851|2.302075|2.082694|2.509739|17.030215|2.726699|4.819560|4.322112|3.909641|5.020479|0.134560|7.885699|13.741180|36.858105| |1.074587|1.170518|1.238602|1.368957|10.411171|2.596223|2.491701|1.685362|2.445031|2.037086|2.158019|1.938124|2.353565|15.606155|2.542975|4.512650|4.014067|3.688806|4.389681|0.111209|6.747426|7.879348|13.726729|36.858105| |1.108126|1.210495|1.287307|1.429286|10.956904|2.709845|2.641151|1.790527|2.628804|2.218406|2.340152|2.061932|2.487042|16.366601|2.812347|5.015106|4.493960|4.360955|4.983245|0.117372|7.890669|6.920735|8.005553|13.651874|36.858105| |1.199585|1.321182|1.411500|1.585489|12.218787|2.999986|2.934337|2.039571|3.016097|2.608158|2.798655|2.410578|2.849052|19.047194|3.517030|6.297772|5.800483|6.259986|7.445320|0.156312|13.655842|7.991760|6.912610|7.870763|13.802239|36.858105| |0.992208|1.072875|1.130917|1.237636|9.372575|2.345806|2.253996|1.492208|2.154432|1.764578|1.845802|1.680718|2.072735|13.526860|2.116906|3.754842|3.266355|2.867789|3.250333|0.084708|4.384632|4.995056|7.525958|12.521031|7.478976|4.985851|36.858105| |0.972675|1.047763|1.109417|1.208523|9.227203|2.322028|2.229464|1.458406|2.121783|1.727240|1.773839|1.607814|2.001681|12.720739|2.004225|3.500810|3.111981|2.692223|2.893300|0.075817|3.722593|4.013851|5.321406|7.531550|6.069505|4.311109|12.408880|36.858105| |0.946131|1.020642|1.070733|1.168052|8.786236|2.183325|2.126005|1.392093|2.000454|1.630383|1.708066|1.566669|1.937670|12.695073|1.953214|3.525064|2.944687|2.565021|2.886280|0.074285|3.722864|4.004257|5.304831|7.531284|6.071776|4.309864|12.409589|7.512924|36.858105| |1.411153|1.589667|1.684835|1.948962|14.636425|3.494208|3.441344|2.556493|3.647376|3.253803|3.943777|3.448551|3.796984|29.690272|5.629329|12.058508|7.992337|7.534085|12.437046|0.254536|7.494898|5.580127|4.106022|3.693266|4.135201|5.642285|2.869599|2.518913|2.684264|53.358707| |1.516312|1.724634|1.834775|2.152850|16.170257|3.806710|3.787063|2.896328|4.114883|3.747740|4.780850|4.126518|4.379078|35.851733|7.372765|18.392172|9.261837|7.600649|9.337640|0.220736|5.675671|4.459378|3.429493|3.132715|3.490593|4.588413|2.513396|2.260408|2.360589|25.527118|0.500000| |1.375980|1.545811|1.615300|1.854486|13.604052|3.272388|3.169811|2.323877|3.223069|2.774365|3.346062|3.121238|3.507219|28.676912|4.335725|8.948827|5.945334|4.966779|7.545468|0.207844|5.967507|5.452911|4.085536|3.497445|3.631980|4.486692|2.786190|2.392821|2.626701|17.232877|0.257392|36.858105| |1.489441|1.688292|1.757390|2.037093|14.738890|3.561151|3.363483|2.534582|3.429208|2.923552|3.633280|3.549183|3.938126|35.028404|4.510392|8.954328|5.944835|4.420810|5.989330|0.197224|4.629606|4.530747|3.488042|2.949599|2.982394|3.554308|2.426584|2.136436|2.257269|10.260064|0.204942|12.514824|36.858105| |1.317626|1.471648|1.554264|1.775729|13.319133|3.158148|3.197888|2.277022|3.270139|2.862268|3.310573|2.915084|3.315597|24.501826|4.443627|9.579566|6.188467|5.928472|7.447947|0.154946|6.320393|4.696457|3.806572|3.690062|4.356271|5.862120|2.913636|2.547758|2.842720|17.219864|0.260589|7.679785|5.000732|36.858105| |1.344139|1.504367|1.575894|1.800985|13.291560|3.100713|3.217042|2.258982|3.190089|2.744502|3.191887|2.904343|3.324751|25.001792|4.099810|9.392785|5.227797|4.437189|4.941119|0.115633|4.213595|3.457391|2.945397|2.875179|3.274510|4.024336|2.396686|2.135450|2.392954|10.312597|0.209822|6.042191|4.455930|12.501921|36.858105| |17.563487|8.795182|5.471234|4.065768|21.905922|5.188063|5.210819|2.529638|2.982670|1.955353|1.941690|2.199482|3.474335|17.061961|1.702575|2.934278|2.134173|1.404610|1.343275|0.038651|1.217272|1.175061|1.084703|1.036623|1.066164|1.151086|0.959369|0.938244|0.917372|1.847866|0.040415|1.333177|1.444053|1.270677|1.301059|0.500000| |17.549525|8.777503|6.801911|4.515560|25.130901|5.829187|6.294381|2.746516|3.260524|2.091307|2.026314|2.263573|3.625917|16.936657|1.757767|3.006620|2.205314|1.446317|1.364316|0.039023|1.235481|1.184087|1.093302|1.050543|1.086974|1.175548|0.971506|0.954763|0.928339|1.866287|0.040901|1.329186|1.426250|1.289323|1.318060|0.301747|0.500000| |17.549011|8.777337|6.801645|4.515402|25.136303|6.254105|5.872571|2.744725|3.239522|2.082443|2.027806|2.277213|3.653804|17.156998|1.757536|2.979780|2.224982|1.454230|1.379765|0.039832|1.251250|1.208579|1.115644|1.065802|1.095796|1.182922|0.985976|0.969177|0.937461|1.872665|0.040890|1.342858|1.455004|1.281118|1.297184|0.301741|0.301571|0.500000| |8.858393|17.520010|8.848465|6.949771|30.823733|6.564579|7.198558|3.493103|3.902539|2.508249|2.510755|2.956579|4.900179|22.517693|2.134029|3.680345|2.599905|1.678608|1.588138|0.045636|1.412385|1.346621|1.227992|1.171533|1.215258|1.329214|1.072567|1.044329|1.024508|2.203340|0.048990|1.573424|1.713119|1.506418|1.555868|0.213055|0.210830|0.172969|0.500000| |8.857820|17.520234|8.848045|6.949624|30.834321|7.185802|6.589610|3.489548|3.866986|2.493149|2.513645|2.987078|4.969428|23.040874|2.133670|3.631840|2.632142|1.690964|1.612524|0.046938|1.435950|1.382759|1.259713|1.192682|1.227559|1.339853|1.092019|1.063163|1.036740|2.213834|0.048973|1.596129|1.763332|1.493488|1.522089|0.213044|0.172966|0.210807|0.303524|0.500000| |6.866949|8.833652|17.566339|8.853823|47.047902|11.951554|9.725763|4.233735|4.729272|2.860552|2.706009|3.087742|5.321025|21.752752|2.236513|3.692708|2.807059|1.782541|1.657264|0.048048|1.479043|1.414482|1.290785|1.229771|1.273110|1.390580|1.125529|1.108053|1.061561|2.223014|0.049077|1.568864|1.708850|1.501668|1.507691|0.140423|0.168936|0.203778|0.173522|0.211644|0.500000| |6.867288|8.831241|17.571416|8.851703|47.012353|9.602221|12.100556|4.239797|4.794811|2.883354|2.702178|3.053643|5.235345|21.306878|2.236760|3.743520|2.767822|1.767968|1.630674|0.046648|1.453206|1.375722|1.256599|1.206533|1.259330|1.378616|1.104187|1.086709|1.048379|2.212212|0.049091|1.547123|1.662790|1.514745|1.540462|0.140417|0.203787|0.168983|0.211528|0.173501|0.302852|0.500000| |4.516673|6.811376|8.747871|17.602502|57.888370|9.665009|12.046689|6.427159|6.257200|3.778296|3.741271|4.677988|8.984025|31.851682|2.944540|4.956360|3.460093|2.148260|1.979312|0.056901|1.715306|1.607678|1.442821|1.373502|1.440697|1.603780|1.239589|1.205842|1.176016|2.733167|0.062109|1.905527|2.083148|1.842222|1.895415|0.108270|0.119324|0.110883|0.205785|0.169909|0.172958|0.211312|0.500000| |4.518079|6.820132|8.742260|17.626215|57.817547|12.072426|9.668183|6.400175|6.106848|3.725133|3.751357|4.806625|9.447461|33.450904|2.944116|4.840302|3.538019|2.174648|2.027975|0.059529|1.758666|1.671159|1.495757|1.408362|1.461556|1.622819|1.270249|1.235359|1.194875|2.754324|0.062095|1.947535|2.177665|1.818936|1.835298|0.108337|0.110920|0.119269|0.170335|0.206058|0.210855|0.172910|0.300329|0.500000| |1.936205|2.232198|2.603910|3.167775|29.022160|6.741503|6.961456|5.979363|12.762196|17.712059|8.868849|5.700620|6.914434|31.412605|7.000308|9.090515|9.315861|4.876426|3.616596|0.099494|2.964139|2.566336|2.222518|2.148042|2.373485|2.804541|1.855329|1.833501|1.707740|4.453252|0.102525|2.725963|2.785499|2.934917|2.758761|0.049506|0.053117|0.052753|0.061800|0.061233|0.070535|0.071405|0.088068|0.086391|0.500000| |1.699644|1.940577|2.173817|2.590270|21.548851|5.320616|4.913602|4.109782|6.641492|6.955459|7.531139|5.128027|5.604645|33.297908|9.410977|10.895173|26.049360|9.032261|5.992976|0.175331|4.451201|3.748987|3.042520|2.823484|3.104668|3.861226|2.330778|2.259908|2.077584|6.294614|0.141400|3.709473|3.816443|3.726137|3.203084|0.044225|0.045887|0.046685|0.053493|0.054761|0.059730|0.058089|0.071314|0.074428|0.212907|0.500000| |1.424217|1.592080|1.743669|2.005939|16.098494|3.963489|3.817153|2.827892|4.396168|4.094587|4.325654|3.376240|3.872869|24.584542|5.792570|8.883252|12.696745|17.654544|8.944446|0.203833|7.366444|5.226032|4.132760|3.983356|4.769642|6.721113|3.081187|2.970574|2.684629|7.590735|0.149212|4.112636|3.727650|4.765621|3.660425|0.037476|0.038720|0.039083|0.044208|0.044747|0.047838|0.047177|0.055900|0.057009|0.129395|0.236979|0.500000| |1.453392|1.634017|1.780010|2.064338|16.350622|3.891490|3.936766|2.917581|4.495624|4.268924|4.730782|3.637866|4.066334|26.812103|7.078016|12.360622|12.498506|17.609993|8.702999|0.175988|6.261145|4.364430|3.520122|3.471685|4.256441|6.074261|2.749808|2.591274|2.529419|9.718175|0.205869|4.594515|3.940961|6.681638|5.062223|0.038337|0.039669|0.039467|0.045983|0.045674|0.048077|0.048438|0.058786|0.058137|0.132484|0.187012|0.304182|0.500000| |1.261266|1.395893|1.475081|1.662619|12.517012|3.133259|2.905397|2.082915|2.960385|2.509150|2.813763|2.559751|3.009776|21.511180|3.411124|5.989052|5.441752|4.749539|7.059631|0.228315|8.893717|17.694626|8.963108|5.635913|4.975603|5.656519|4.091323|3.400583|3.384419|7.399581|0.124233|5.853141|5.283938|4.277827|3.289532|0.033782|0.033840|0.034749|0.038705|0.040074|0.040687|0.039252|0.046149|0.048559|0.070875|0.105000|0.130581|0.110389|0.500000| |1.091684|1.189954|1.251473|1.382343|10.392519|2.616180|2.451335|1.674779|2.387750|1.969376|2.117525|1.947232|2.369208|16.054779|2.453329|4.326246|3.816978|3.297617|4.111262|0.115481|5.637191|8.957203|17.720868|8.920389|5.668377|4.973069|6.986433|5.016573|4.986244|4.773819|0.083505|3.651566|3.256777|3.230011|2.604562|0.029340|0.029444|0.030176|0.032950|0.033980|0.034663|0.033569|0.038299|0.039966|0.056423|0.075687|0.095991|0.082759|0.218145|0.500000| |1.066443|1.160188|1.233958|1.362728|10.462879|2.582564|2.544585|1.694927|2.496230|2.089036|2.171438|1.917244|2.335430|15.093368|2.567748|4.587269|4.034485|3.808296|4.075521|0.097110|5.641837|4.978114|5.668835|8.883694|17.730567|8.998068|6.918208|6.308024|6.304061|4.819441|0.085590|3.109602|2.596142|3.875218|3.043580|0.028504|0.029160|0.029282|0.032387|0.032554|0.033881|0.033691|0.038209|0.038487|0.062471|0.077941|0.115736|0.107342|0.107931|0.124197|0.500000| |1.220737|1.346007|1.443800|1.625195|12.610939|3.068922|3.057882|2.116049|3.165727|2.762091|2.932236|2.484069|2.932606|19.283774|3.721371|6.712864|6.096230|6.782206|6.819510|0.140137|8.840062|5.652064|4.973155|5.638880|9.016603|17.713735|4.088419|3.740556|3.733178|7.524841|0.130660|4.149045|3.322080|6.248240|4.334081|0.032471|0.033357|0.033347|0.037731|0.037718|0.039361|0.039374|0.045890|0.045866|0.083853|0.110676|0.199076|0.207243|0.123747|0.107875|0.220149|0.500000| |0.980123|1.058458|1.112174|1.214497|9.150015|2.299869|2.190086|1.450214|2.078940|1.692554|1.776759|1.634375|2.022058|13.260758|2.019643|3.575349|3.094857|2.657726|3.047812|0.081757|3.993083|4.836889|7.460682|9.027339|5.603744|4.204745|17.546683|8.944549|8.944905|3.689680|0.066298|2.712491|2.409381|2.687945|2.242172|0.026369|0.026594|0.027101|0.029341|0.030022|0.030812|0.030075|0.033704|0.034760|0.049025|0.061727|0.078585|0.069887|0.115467|0.230522|0.139977|0.096731|0.500000| |0.977137|1.052695|1.117656|1.218096|9.343810|2.342029|2.271324|1.478988|2.166049|1.767878|1.803122|1.622119|2.019528|12.724531|2.042378|3.570244|3.175622|2.775111|2.905505|0.074663|3.703353|3.761006|4.673105|6.717005|6.486927|4.538105|8.729670|17.549316|6.791169|3.450850|0.063497|2.353999|2.085799|2.616912|2.194334|0.026145|0.026716|0.027006|0.029191|0.029569|0.030951|0.030517|0.033837|0.034433|0.052571|0.063844|0.085692|0.075557|0.087888|0.116987|0.213305|0.113389|0.173604|0.500000| |0.923206|0.990340|1.045306|1.132394|8.609229|2.169530|2.084233|1.348394|1.952095|1.574322|1.612008|1.474592|1.849253|11.699935|1.799599|3.151649|2.755048|2.334668|2.494165|0.066070|3.094170|3.342616|4.283995|5.496523|4.587693|3.483761|8.805377|17.564571|6.882658|3.022158|0.055904|2.138810|1.931417|2.251923|1.928397|0.024782|0.025187|0.025576|0.027408|0.027909|0.029030|0.028466|0.031367|0.032131|0.046201|0.055734|0.070620|0.062788|0.081375|0.118082|0.134149|0.086327|0.215903|0.302185|0.500000| |1.000831|1.078755|1.145994|1.249243|9.584410|2.428139|2.306353|1.515534|2.211173|1.799904|1.840216|1.663411|2.073633|13.078103|2.069117|3.564540|3.253027|2.790367|2.970883|0.079160|3.791633|4.160991|5.425557|6.899667|5.579076|4.231425|8.746160|17.562178|5.466087|3.432960|0.063273|2.390590|2.171228|2.486326|2.080783|0.026766|0.027253|0.027773|0.029766|0.030443|0.031906|0.031127|0.034469|0.035542|0.053182|0.066556|0.087147|0.073205|0.099205|0.144527|0.151393|0.101534|0.213052|0.301371|0.301498|0.500000| |0.953003|1.029715|1.076130|1.175882|8.787569|2.176377|2.121197|1.395222|1.992295|1.624964|1.720228|1.587896|1.956645|13.029532|1.975994|3.608148|2.947381|2.561530|2.957460|0.076250|3.791312|4.142022|5.394565|6.897036|5.580208|4.228307|8.744794|5.465518|17.558656|3.847806|0.068376|2.836258|2.402766|3.013922|2.541490|0.025720|0.025936|0.026184|0.028772|0.029110|0.029570|0.029214|0.032971|0.033490|0.046927|0.057246|0.072942|0.070192|0.098310|0.142919|0.151224|0.101185|0.213060|0.138957|0.140703|0.122307|0.500000| |0.900227|0.967150|1.012491|1.098620|8.244856|2.054216|1.998290|1.295042|1.855618|1.499354|1.561760|1.442387|1.798003|11.679671|1.762090|3.169463|2.635999|2.249580|2.489605|0.065040|3.094295|3.336892|4.274997|5.496280|4.588833|3.483160|8.805148|6.883081|17.565036|3.174291|0.057858|2.302413|2.020058|2.449821|2.113500|0.024277|0.024550|0.024811|0.026939|0.027282|0.027930|0.027561|0.030678|0.031194|0.043525|0.052071|0.065408|0.061629|0.081081|0.117552|0.134110|0.086211|0.215873|0.168936|0.206932|0.140706|0.301539|0.500000| |0.949205|1.024145|1.076635|1.175118|8.869726|2.194726|2.158145|1.407388|2.032715|1.660644|1.731578|1.578293|1.951359|12.698185|1.986446|3.597178|2.991952|2.631307|2.898255|0.073144|3.703851|3.752986|4.661635|6.717178|6.490315|4.536906|8.729624|6.790471|17.548525|3.691172|0.066509|2.586113|2.202822|2.955710|2.490737|0.025537|0.025937|0.026083|0.028609|0.028804|0.029590|0.029377|0.032951|0.033254|0.048618|0.058351|0.076593|0.073503|0.087515|0.116471|0.213112|0.113119|0.173604|0.200531|0.168893|0.138969|0.301307|0.302217|0.500000| |1.291975|1.439752|1.503686|1.707919|12.577182|3.059795|2.939443|2.113976|2.950134|2.511720|2.936299|2.729937|3.139091|24.385621|3.693703|7.232565|5.314515|4.596938|7.204951|0.198766|6.865247|6.949875|5.059100|4.125038|4.119446|4.958003|3.208601|2.667898|2.996808|12.392650|0.181879|17.652460|8.755585|6.696899|5.023897|0.034805|0.034697|0.035181|0.040515|0.041287|0.040823|0.040072|0.048390|0.049754|0.069479|0.095143|0.111551|0.116737|0.209102|0.124700|0.095201|0.120043|0.087515|0.071860|0.065817|0.073707|0.091419|0.072026|0.080497|0.500000| |1.345360|1.507876|1.563193|1.785720|12.948470|3.087987|3.042263|2.186744|3.008617|2.553393|3.049967|2.901784|3.304675|27.027624|3.834490|8.179560|5.054730|4.139514|5.579311|0.147734|4.751398|4.365989|3.524576|3.136994|3.276309|3.914426|2.576309|2.216539|2.503884|12.422844|0.213286|17.673860|8.911137|7.642641|7.096991|0.036362|0.036170|0.036316|0.042914|0.043157|0.041948|0.041720|0.051398|0.051847|0.069464|0.088488|0.096850|0.112408|0.125735|0.088914|0.080114|0.103611|0.069548|0.060917|0.055660|0.060753|0.075897|0.061402|0.068995|0.303559|0.500000| |1.603093|1.837332|1.910965|2.247080|16.097390|3.829062|3.654111|2.817537|3.750529|3.208165|4.148080|4.185253|4.506267|44.797271|5.120144|10.685020|6.198145|4.329639|5.312738|0.167362|3.992492|3.751795|2.982712|2.607531|2.689293|3.208410|2.178902|1.953378|2.045467|9.346950|0.218960|8.795255|17.577803|4.768827|4.586107|0.043135|0.042571|0.043239|0.052127|0.053360|0.051165|0.050068|0.064500|0.066955|0.082932|0.108964|0.099525|0.109801|0.116421|0.077287|0.066319|0.086138|0.059669|0.053504|0.049308|0.055130|0.059968|0.051220|0.056061|0.172177|0.211370|0.500000| |1.512395|1.714441|1.798687|2.087956|15.289472|3.751906|3.452323|2.639814|3.592511|3.074646|3.801746|3.667145|4.074376|34.894329|4.666792|8.558295|6.491428|4.706881|6.408649|0.245054|4.909511|4.986305|3.728558|3.069999|3.059680|3.643567|2.507874|2.226159|2.276806|9.028871|0.179015|8.704705|17.591907|4.415271|3.793605|0.040564|0.040128|0.041299|0.047883|0.049896|0.049002|0.047083|0.058537|0.062411|0.081474|0.119066|0.112637|0.110678|0.172340|0.097337|0.073234|0.093031|0.069654|0.059962|0.055652|0.063814|0.066521|0.056678|0.061298|0.208704|0.172923|0.300687|0.500000| |1.437317|1.619499|1.666079|1.908985|13.601812|3.300916|3.108718|2.282637|3.053673|2.539398|3.072148|3.084718|3.535921|30.719061|3.618622|7.079207|4.773893|3.554037|4.601895|0.146262|3.911750|4.029818|3.255083|2.749421|2.714577|3.114028|2.316195|2.028241|2.177210|7.536849|0.147881|8.952250|17.583914|4.178302|3.881378|0.038955|0.038139|0.039028|0.045659|0.047199|0.045065|0.043712|0.054160|0.056850|0.067182|0.087851|0.086431|0.090020|0.131466|0.087026|0.066245|0.080412|0.064791|0.054570|0.051478|0.057016|0.065010|0.054604|0.058475|0.210659|0.218513|0.302137|0.303322|0.500000| |1.234448|1.369122|1.438390|1.626566|12.136463|2.904761|2.914332|2.036771|2.909644|2.498119|2.833639|2.543857|2.951080|21.523814|3.634638|7.445591|5.183627|4.902374|6.462204|0.140661|6.582772|5.134187|4.286383|4.192983|4.898653|6.295502|3.272990|2.764704|3.259432|12.361196|0.182984|7.386988|4.671728|17.650059|8.751482|0.033174|0.033537|0.033435|0.038827|0.038671|0.038771|0.038926|0.046631|0.046371|0.071218|0.090278|0.117511|0.145393|0.126009|0.099977|0.119188|0.172814|0.083452|0.078326|0.067717|0.073698|0.098531|0.076674|0.093870|0.207271|0.210092|0.117808|0.115439|0.113683|0.500000| |1.311675|1.461856|1.556736|1.776139|13.533832|3.209829|3.279389|2.318104|3.399437|3.006745|3.383471|2.889477|3.309328|23.247897|4.565715|9.434117|6.622831|6.837101|7.343240|0.146381|6.464239|4.528005|3.751772|3.794759|4.763515|6.763212|2.984298|2.669661|2.893549|12.348732|0.213877|5.642139|4.134725|17.690215|8.918784|0.034997|0.035801|0.035473|0.041483|0.040979|0.041846|0.042382|0.051080|0.050146|0.088018|0.110374|0.153871|0.244452|0.110914|0.087185|0.120458|0.230273|0.074974|0.077772|0.064988|0.072394|0.083130|0.069091|0.085385|0.144621|0.149429|0.111462|0.106989|0.097001|0.303504|0.500000| |1.334290|1.492793|1.548326|1.764344|12.811458|2.994475|3.080556|2.155827|2.989432|2.529929|2.963650|2.790769|3.215245|25.021001|3.686054|8.322146|4.650421|3.800675|4.394688|0.108417|3.813723|3.297408|2.828310|2.708219|2.976786|3.537220|2.288072|2.021281|2.296465|9.127711|0.184193|6.487312|4.808859|8.706769|17.598537|0.036057|0.036214|0.035731|0.042970|0.042174|0.041115|0.041849|0.051627|0.050271|0.069482|0.080736|0.088844|0.114009|0.089461|0.070817|0.076450|0.101486|0.060356|0.056997|0.051127|0.054714|0.068654|0.056752|0.065452|0.146423|0.246126|0.137760|0.108710|0.120604|0.208215|0.173060|0.500000| |1.272341|1.413494|1.478472|1.672366|12.357318|2.885073|3.025937|2.065310|2.930238|2.484766|2.800802|2.555077|2.993257|21.535421|3.466313|7.549484|4.507133|3.835920|4.112955|0.096892|3.751836|3.119839|2.757471|2.773941|3.195397|3.800906|2.356762|2.110417|2.406487|7.554414|0.149962|4.652853|3.586099|8.950451|17.582746|0.034254|0.034813|0.034106|0.040644|0.039538|0.039310|0.040396|0.048896|0.046999|0.070189|0.078645|0.091565|0.123666|0.081131|0.067932|0.084910|0.116157|0.060721|0.060844|0.053221|0.056486|0.070920|0.059207|0.070679|0.115455|0.148337|0.101172|0.087441|0.089731|0.211417|0.218035|0.303338|0.500000| 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