Version2.0 2020-01-25T03:10:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)c1ccc(cc1)n2nc3cc(c(cc3n2)NC(=S)NC(=O)c4ccc(c(c4)Cl)OC)C C22847566 RHF 6-31G(d) (6D,7F) CC[NH+](CC)c1ccc(cc1)n2nc3cc(c(cc3n2)NC(=S)NC(=O)c4ccc(c(c4)Cl)OC)C C01[X(C26H28Cl1N6O2S1)] 186 C1 604 COc1ccc(cc1Cl)C(=O)NC(=S)Nc1cc2nn(nc2cc1C)c1ccc(cc1)[NH+](CC)CC COc1ccc(cc1Cl)C(=O)NC(=S)Nc1cc2nn(nc2cc1C)c1ccc(cc1)[NH+](CC)CC CC[NH+](CC)c1ccc(cc1)n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)cc3n2 InChIKey=HVELMNHUGSUSCG-UHFFFAOYSA-O InChI=1S/C26H27ClN6O2S/c1-5-32(6-2)18-8-10-19(11-9-18)33-30-22-13-16(3)21(15-23(22)31-33)28-26(36)29-25(34)17-7-12-24(35-4)20(27)14-17/h7-15H,5-6H2,1-4H3,(H2,28,29,34,36)/p+1 InChI=1/C26H27ClN6O2S/c1-5-32(6-2)18-8-10-19(11-9-18)33-30-22-13-16(3)21(15-23(22)31-33)28-26(36)29-25(34)17-7-12-24(35-4)20(27)14-17/h7-15H,5-6H2,1-4H3,(H2,28,29,34,36)/p+1/fC26H28ClN6O2S/h28-29,32H/q+1 CC[NH+](CC)c1ccc(cc1)n2nc3cc(c(cc3n2)NC(=S)NC(=O)c4ccc(c(c4)Cl)OC)C C01[X(C26H28Cl1N6O2S1)] 186 C01 604 COc1ccc(cc1Cl)C(=O)NC(=S)Nc1cc2nn(nc2cc1C)c1ccc(cc1)[NH+](CC)CC CC[NH](c1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccc(c(c1)Cl)OC)CC CC[NH](CC)c1ccc(cc1)n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)cc3n2 InChIKey=RCQADKTVEFRZDX-SANMLTNESA-N InChI=1S/C27H32FN5O3/c28-22-9-1-2-10-24(22)32-13-15-33(16-14-32)25(34)12-11-23-27(35)29-26(31-30-23)20-7-4-8-21(17-20)36-18-19-5-3-6-19/h1-2,4,7-10,17,19,26,31H,3,5-6,11-16,18H2,(H,29,35)/t26-/m0/s1 InChI=1/C27H32FN5O3/c28-22-9-1-2-10-24(22)32-13-15-33(16-14-32)25(34)12-11-23-27(35)29-26(31-30-23)20-7-4-8-21(17-20)36-18-19-5-3-6-19/h1-2,4,7-10,17,19,26,31H,3,5-6,11-16,18H2,(H,29,35)/t26-/m0/s1/f/h29H 3750.5828646385 -2334.0461328 1-A 44850.8348 137 467 604 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3351.0950 3351.3363 3363.5411 3387.2890 3396.1248 3401.4096 3407.0861 3418.4226 3422.7523 3439.7374 3440.5175 3696.5442 3823.7945 3857.7272 6.7060 4.2182 6.3953 5.9335 5.4003 5.7313 8.0815 6.0977 3.4180 4.0719 4.7018 3.4876 3.4233 5.4297 2.3337 5.1715 4.2847 3.2646 4.0852 4.0948 3.9794 2.3698 1.7420 2.4690 5.7562 2.9964 1.5108 1.2086 1.4152 3.4296 4.0995 2.8661 5.5205 5.1988 5.9747 3.8262 4.1178 2.3507 3.6060 3.2142 3.9000 2.9976 4.8433 7.4690 3.1265 3.1893 4.3068 3.1910 1.2391 6.0647 5.2627 4.2777 2.6822 4.5615 5.0178 5.2350 4.3619 6.7706 5.3384 7.0128 11.2524 6.1700 5.9314 3.9239 4.7999 5.8155 4.6258 4.7144 5.3547 3.9558 1.1763 4.7917 6.3717 1.3180 1.2963 1.6951 1.6941 2.3972 2.4109 1.4607 2.3613 1.7466 4.4149 1.4464 9.6751 1.6440 1.8160 3.2205 3.0664 1.3598 1.3574 1.5292 4.6603 1.5472 1.5399 4.4279 3.6043 4.3855 2.0054 1.7765 2.6924 1.6620 2.8700 2.6662 1.7949 1.2654 2.3935 1.3812 2.1929 2.1851 1.9602 1.9293 1.4669 3.0115 4.6544 1.1835 2.4999 1.5398 2.9316 4.8724 1.8493 2.9974 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1857.48 1860.07 1862.62 1878.16 1884.99 1912.10 1913.97 1934.95 1972.18 1979.26 2013.63 2021.40 2042.61 2044.96 2058.12 2079.09 2085.93 2092.19 2134.91 2141.82 2211.69 2227.71 2231.54 2245.74 2257.47 2257.91 2267.62 2270.74 2286.67 2342.92 2345.24 2347.40 2348.48 2351.85 2352.44 2354.19 2364.02 2366.70 2376.88 2381.78 2384.93 2390.45 2410.98 2430.93 2457.44 2473.42 2483.41 2498.97 2532.42 2589.85 2595.08 2601.64 2693.85 2905.74 4621.24 4637.45 4637.89 4638.49 4713.82 4715.16 4730.63 4738.94 4739.34 4740.84 4757.35 4779.34 4780.46 4813.17 4821.48 4821.83 4839.39 4873.55 4886.27 4893.87 4902.04 4918.35 4924.58 4949.01 4950.14 5318.50 5501.59 5550.41 0.553753 0.586116 0.587060 0.484222 -2333.492380 -2333.460017 -2333.459073 -2333.561911 3.449203D-04 MUNgauss RevisionA2.0 retrievium 25-Jan-2020 DUDE CC[NH+](CC)c1ccc(cc1)n2nc3cc(c(cc3n2)NC(=S)NC(=O)c4ccc(c(c4)Cl)OC)C C22847566 RHF 6-31G(d) (6D,10F) C1 523.168299 |X|Y|Z| 201.190098 34.615586 56.342849 73.210330 25 6 7 20 5 |36.858105| |12.539519|36.858105| |7.551029|12.575555|53.358707| |7.209133|9.357176|25.717740|0.500000| |4.939095|7.610462|17.110359|0.259900|36.858105| |3.793982|4.939034|10.275111|0.200218|12.539367|36.858105| |6.297655|7.616470|17.576497|0.264102|7.618239|6.300416|36.858105| |5.289882|5.407915|10.540646|0.217505|5.414214|5.302151|13.798037|36.858105| |4.112128|4.059685|6.944156|0.138801|4.066201|4.126134|7.965836|13.779632|36.858105| |3.732836|3.782962|6.133890|0.115006|3.789427|3.745764|6.922048|7.964636|13.732153|36.858105| |4.041500|4.348799|6.928836|0.120498|4.353825|4.050167|7.977549|6.869860|7.897651|13.697571|36.858105| |5.135667|6.140585|10.458499|0.161839|6.141823|5.137911|13.763385|7.921010|6.852639|7.949401|13.805444|36.858105| |2.992666|2.977726|4.606614|0.088518|2.984267|3.006329|4.586409|5.185747|7.894091|13.592297|7.892084|5.184207|53.358707| |2.672688|2.692895|4.038409|0.076520|2.701114|2.689145|3.831681|3.998039|5.255643|8.025266|6.842833|4.575695|19.726001|53.358707| |2.310691|2.297816|3.410459|0.066002|2.306290|2.328274|3.105516|3.319268|4.268629|5.575657|4.690924|3.506242|12.548657|19.750252|36.858105| |2.001939|1.995973|2.909524|0.056417|2.004254|2.018963|2.554481|2.667026|3.237334|3.978004|3.621733|2.869663|7.455024|10.397964|13.351677|36.858105| |1.806002|1.787075|2.598516|0.051062|1.795410|1.823511|2.239255|2.371331|2.841875|3.300272|2.963391|2.440695|5.911059|7.106448|7.996679|14.109463|36.858105| |1.813933|1.777770|2.605451|0.051887|1.786016|1.831752|2.245719|2.446426|2.972551|3.315708|2.855068|2.380177|5.948727|6.408374|6.911058|7.812675|13.017190|36.858105| |2.013336|1.960903|2.911815|0.058344|1.968364|2.029769|2.555129|2.869141|3.622995|3.982666|3.240519|2.668462|7.468055|7.303282|7.722460|6.624948|7.712459|14.166249|36.858105| |2.319456|2.271476|3.412558|0.067498|2.279356|2.336559|3.106367|3.505763|4.691762|5.582254|4.273159|3.321180|12.576831|11.757939|13.489539|7.710268|6.826919|8.067048|13.362355|36.858105| |2.692859|2.625880|4.041337|0.080298|2.632698|2.707892|3.830801|4.572608|6.841726|8.036430|5.258571|3.997216|19.785815|11.626400|8.622146|5.357091|4.669738|5.248592|7.646926|14.516569|53.358707| |1.618695|1.582145|2.303321|0.046233|1.589203|1.634055|1.944254|2.112611|2.494941|2.688472|2.360698|2.029735|4.533148|4.739516|4.555659|5.125408|7.673746|13.362262|8.004312|5.185522|5.335529|53.358707| |1.497129|1.475957|2.158810|0.043477|1.507972|1.566664|1.802535|1.952221|2.269691|2.411680|2.141822|1.869529|3.949560|4.087770|3.748886|4.151500|5.670611|7.732096|5.812654|4.180001|4.566422|19.104944|36.858105| |1.499594|1.499806|2.221015|0.044655|1.572458|1.657152|1.855160|2.002858|2.322204|2.473099|2.206321|1.927535|4.018734|4.160441|3.735040|4.051974|5.106079|6.168362|5.183583|4.079616|4.570489|9.769519|11.559910|388.023441| |1.377539|1.351636|1.961320|0.039679|1.371007|1.419724|1.616533|1.745417|1.994859|2.087042|1.873987|1.663159|3.324129|3.403678|3.003953|3.278911|4.219405|5.262093|4.338047|3.309845|3.789623|11.517117|13.830701|50.359632|53.358707| |1.256703|1.239120|1.793979|0.036320|1.264980|1.312755|1.462652|1.566302|1.762530|1.835173|1.672349|1.502351|2.862514|2.936207|2.520625|2.749041|3.384340|3.890340|3.335120|2.705555|3.190542|7.247099|7.620803|41.574543|18.480005|36.858105| |1.221102|1.212444|1.757060|0.035455|1.248182|1.297961|1.429358|1.518838|1.701094|1.783092|1.641082|1.475967|2.770448|2.873691|2.451849|2.710883|3.300595|3.612637|3.078095|2.569967|3.038467|6.311349|6.519166|42.485175|11.392762|16.075168|73.516695| |1.183763|1.161584|1.673477|0.034039|1.178317|1.220191|1.352836|1.449827|1.614981|1.660247|1.517344|1.378296|2.548088|2.581610|2.171625|2.319271|2.761679|3.151042|2.825597|2.342020|2.832401|5.571879|5.082919|29.349585|10.662231|12.769371|14.385304|36.858105| |1.092603|1.074824|1.541888|0.031334|1.091121|1.127846|1.237295|1.315548|1.450577|1.492016|1.379380|1.262036|2.264247|2.305482|1.912430|2.050006|2.392723|2.627911|2.369897|2.024173|2.476471|4.423801|3.864143|23.921897|7.088392|7.720371|12.004130|13.737321|36.858105| |1.035110|1.015510|1.451533|0.029584|1.026783|1.059534|1.157480|1.230029|1.346138|1.374308|1.274180|1.174681|2.063585|2.086829|1.709551|1.810064|2.073282|2.267317|2.090199|1.811466|2.249242|3.709439|3.102876|19.541872|5.389584|5.076344|8.077411|7.908888|13.791679|36.858105| |1.049957|1.025072|1.464481|0.029963|1.031559|1.064121|1.166511|1.246300|1.362968|1.379888|1.272766|1.176524|2.064830|2.066769|1.687032|1.761340|2.005171|2.227818|2.093458|1.810176|2.266423|3.628712|2.969125|18.493634|5.115131|4.438431|6.767587|6.800010|7.911984|13.687853|36.858105| |1.130979|1.100410|1.577323|0.032335|1.105355|1.141863|1.263129|1.360280|1.498566|1.511532|1.380141|1.270233|2.276256|2.261339|1.859425|1.925689|2.210773|2.525509|2.392877|2.030184|2.533708|4.197024|3.438347|20.749885|6.102507|5.021126|7.146980|7.920520|6.904186|7.946486|13.617827|36.858105| |1.206517|1.176381|1.694180|0.034638|1.186106|1.227899|1.368009|1.477568|1.645415|1.671176|1.515737|1.381923|2.552284|2.545543|2.127644|2.220889|2.608914|3.051837|2.837703|2.341622|2.869613|5.320512|4.567507|26.193691|8.971311|7.501692|9.436018|13.682336|7.970107|6.889017|7.897917|13.848899|36.858105| |1.142146|1.103936|1.579533|0.032567|1.101347|1.136446|1.259872|1.364782|1.496407|1.489615|1.354846|1.255237|2.221016|2.175543|1.768270|1.794849|2.022933|2.323485|2.274632|1.952385|2.482682|3.734478|2.927595|17.974653|4.841936|3.644406|5.405134|4.767061|4.237993|4.760529|7.006162|10.973383|7.077856|448.794386| |0.995931|0.970754|1.382163|0.028337|0.974015|1.003058|1.094448|1.167153|1.267098|1.276411|1.182073|1.099978|1.892273|1.887200|1.524244|1.579862|1.772254|1.950471|1.856991|1.630511|2.065305|3.098024|2.475372|15.718952|4.081979|3.389758|5.358788|4.614239|5.219375|7.911036|14.333728|8.185632|5.298671|52.956978|73.516695| |0.931167|0.910126|1.292564|0.026463|0.914527|0.940721|1.019113|1.080420|1.166425|1.177692|1.098735|1.026207|1.737025|1.740191|1.396921|1.453198|1.617339|1.749755|1.661420|1.477807|1.877696|2.737613|2.179597|14.117244|3.511302|2.935807|4.830068|3.781994|4.520982|6.723131|8.017136|5.238819|3.979919|35.732162|24.077031|36.858105| |1.597501|1.585264|2.279565|0.044835|1.593149|1.613914|1.921946|2.004658|2.326624|2.644720|2.459239|2.087669|4.441664|5.214972|5.030339|7.655891|12.631830|7.441322|4.992732|4.433389|4.640708|9.021602|5.480484|34.263124|5.913460|3.625911|6.484996|2.908531|2.568206|2.195144|2.077246|2.247741|2.651655|16.115006|3.244924|1.680554|36.858105| |17.553969|8.789530|9.322873|0.213085|4.616117|3.741818|5.643661|5.266261|4.029902|3.487348|3.590472|4.380727|3.860384|3.400944|2.197565|1.905451|1.739996|1.770123|1.976311|2.250103|3.571666|2.166253|1.477975|10.522407|1.858599|1.246918|2.147731|1.179801|1.088013|1.033710|1.052582|1.135979|1.208528|9.264213|1.778725|0.934177|1.539904|0.500000| |17.618140|8.769292|9.149698|0.173073|4.461241|3.582401|6.874119|5.960454|4.796498|4.401421|4.732143|5.830218|4.715348|4.156731|2.604601|2.223588|1.988591|1.996518|2.233318|2.612474|4.181704|2.399985|1.614199|11.427641|2.011406|1.338305|2.305242|1.256182|1.154509|1.090486|1.106190|1.195623|1.280790|9.680212|1.859597|0.975249|1.740330|0.300117|0.500000| |17.586924|8.966977|7.536297|0.146557|4.128646|3.228042|4.740893|4.085245|3.383597|3.177711|3.460091|4.217539|3.599060|3.294062|2.118613|1.866742|1.691919|1.689905|1.853371|2.109129|3.262501|2.067568|1.405955|9.967109|1.771377|1.191820|2.060348|1.126590|1.044116|0.991906|1.005826|1.079687|1.147423|8.756871|1.700780|0.896856|1.512699|0.302536|0.301924|0.500000| |8.835835|17.628148|12.413595|0.224403|7.350853|4.795670|5.621730|4.371080|3.390952|3.154401|3.541926|4.702425|3.495150|3.198554|2.042021|1.799624|1.627573|1.621513|1.775590|2.024802|3.141494|1.984233|1.369967|9.921199|1.717674|1.164116|2.028510|1.095718|1.017946|0.964852|0.974208|1.042552|1.109865|8.409257|1.645249|0.869900|1.458285|0.210314|0.172654|0.215743|0.500000| |8.788847|17.652448|12.357866|0.182282|6.919481|4.545400|6.983539|4.811923|3.851161|3.817766|4.669940|6.775856|4.119291|3.822750|2.366704|2.067520|1.831534|1.796684|1.963381|2.288071|3.554486|2.166241|1.481426|10.711702|1.841740|1.241057|2.166047|1.159212|1.074452|1.012878|1.018597|1.090786|1.168194|8.737810|1.712305|0.904606|1.629399|0.172327|0.210502|0.211655|0.302019|0.500000| |4.796045|7.350732|12.412294|0.224426|17.627945|8.835224|5.622505|4.374258|3.394423|3.157744|3.544278|4.702797|3.500220|3.205110|2.047276|1.804981|1.633137|1.627053|1.780507|2.029754|3.147114|1.990890|1.392473|10.283296|1.736598|1.182983|2.074969|1.108109|1.030156|0.973394|0.979140|1.046282|1.117090|8.393644|1.649710|0.873307|1.463706|0.127408|0.114495|0.115828|0.238734|0.178874|0.500000| |4.545653|6.920461|12.356421|0.182282|17.652419|8.788782|6.984977|4.816404|3.856777|3.824485|4.676227|6.777550|4.128772|3.835671|2.376142|2.076913|1.840695|1.805371|1.971015|2.296273|3.563759|2.176219|1.514576|11.248614|1.868808|1.267659|2.232119|1.176230|1.091114|1.024322|1.025103|1.095703|1.177930|8.717323|1.718083|0.909021|1.638146|0.112681|0.117874|0.109338|0.178914|0.206518|0.301985|0.500000| |3.741909|4.615920|9.321516|0.213060|8.789128|17.554014|5.646684|5.279473|4.043719|3.498307|3.596962|4.382691|3.876501|3.419316|2.212652|1.920031|1.755513|1.786544|1.991791|2.265710|3.590785|2.185951|1.543569|11.572298|1.913556|1.300630|2.277267|1.215242|1.122198|1.057632|1.066653|1.146882|1.229701|9.218542|1.791443|0.943696|1.554444|0.107393|0.097085|0.088090|0.127382|0.112674|0.210278|0.172324|0.500000| |3.228208|4.128849|7.535271|0.146554|8.967923|17.587021|4.742185|4.092598|3.393746|3.188013|3.466913|4.218710|3.615815|3.315919|2.136519|1.885029|1.711040|1.709052|1.870368|2.126130|3.281489|2.090549|1.483702|11.221548|1.836476|1.256450|2.219253|1.168860|1.085563|1.020783|1.022483|1.092323|1.172056|8.703455|1.715750|0.908260|1.531238|0.088096|0.084458|0.078956|0.115834|0.109334|0.215775|0.211641|0.302545|0.500000| |3.581759|4.460619|9.144945|0.172983|8.768153|17.618707|6.875465|5.976698|4.818938|4.423406|4.746563|5.832926|4.745826|4.192492|2.631608|2.248682|2.013741|2.022043|2.257321|2.638585|4.213866|2.429005|1.709509|12.969006|2.088365|1.412134|2.484776|1.303393|1.199613|1.121358|1.124016|1.209422|1.308375|9.621783|1.875324|0.987041|1.763191|0.097059|0.097996|0.084445|0.114478|0.117863|0.172639|0.210514|0.300110|0.301962|0.500000| |5.169281|5.093207|9.692653|0.238612|5.098852|5.181231|8.883004|17.701033|8.967007|5.664840|4.949136|5.628293|5.717753|4.541293|2.892056|2.378730|2.162947|2.262391|2.646702|3.118056|5.398379|2.709515|1.855217|13.505071|2.281286|1.511292|2.597568|1.410661|1.281695|1.204726|1.226581|1.339806|1.447001|10.879598|2.050408|1.067145|1.849661|0.156487|0.152286|0.111218|0.120239|0.119787|0.120334|0.119883|0.156950|0.111425|0.152642|0.500000| |3.561141|3.422922|5.642999|0.117750|3.429110|3.575410|5.659734|8.916563|17.788791|8.924847|5.635101|4.946998|9.838320|6.568607|4.232145|3.219656|2.912464|3.164675|3.997543|5.051859|10.524588|3.636797|2.427613|17.549692|2.903184|1.869389|3.178949|1.716887|1.529773|1.419744|1.445964|1.603224|1.765272|12.935021|2.385672|1.227958|2.367065|0.100234|0.113051|0.083412|0.082052|0.089426|0.082152|0.089571|0.100660|0.083724|0.113656|0.216023|0.500000| |3.479146|3.735297|5.624609|0.098919|3.739795|3.486901|5.663647|4.956015|5.638748|8.922270|17.789042|8.929486|9.855244|10.557729|5.061574|4.002273|3.160328|2.930655|3.226852|4.243450|6.582279|3.272293|2.174001|15.930562|2.578675|1.693219|2.971774|1.527042|1.392381|1.281543|1.272672|1.374340|1.512805|10.744499|2.096872|1.099250|2.635220|0.085671|0.111090|0.086032|0.087009|0.114864|0.087072|0.115036|0.085828|0.086224|0.111438|0.107555|0.124234|0.500000| |4.913615|6.322416|9.553665|0.144214|6.317164|4.909381|8.853061|5.626207|4.942771|5.663528|8.992654|17.732855|5.723874|5.411064|3.123149|2.650969|2.260891|2.172849|2.382191|2.896873|4.545309|2.548763|1.734599|12.726448|2.113497|1.413644|2.481269|1.299502|1.197614|1.116731|1.115207|1.197115|1.297632|9.473434|1.857878|0.979246|1.971395|0.113183|0.147221|0.117460|0.137382|0.221271|0.137311|0.220979|0.113126|0.117346|0.147060|0.123507|0.107446|0.216730|0.500000| |1.955389|1.966553|2.838243|0.054552|1.974556|1.971420|2.466376|2.508746|2.963462|3.661884|3.526227|2.822683|6.429832|9.165261|8.761152|17.750354|8.984025|5.555375|4.824438|5.539194|5.914847|5.636773|3.523552|24.889558|3.930927|2.498062|4.450145|2.128614|1.915406|1.699973|1.644510|1.775252|2.023705|13.264847|2.637628|1.376855|7.014285|0.051264|0.060053|0.051027|0.049376|0.057252|0.049520|0.057514|0.051635|0.051516|0.060701|0.062030|0.080044|0.112284|0.074038|0.500000| |1.968299|1.903921|2.833934|0.057531|1.911143|1.984521|2.459311|2.811605|3.512316|3.651759|2.957087|2.502588|6.411245|5.904416|5.531454|4.825627|5.522919|9.012879|17.765926|8.713445|9.108288|9.947957|5.738119|35.686503|6.112851|3.424648|5.479423|2.964694|2.448976|2.174896|2.213375|2.578647|3.069939|20.015344|3.488183|1.736313|4.076034|0.054343|0.060295|0.050279|0.048150|0.052372|0.048285|0.052571|0.054783|0.050744|0.060941|0.073644|0.111604|0.079995|0.061951|0.105394|0.500000| |1.570866|1.524756|2.196977|0.044119|1.510672|1.540522|1.841766|1.990776|2.325843|2.495771|2.216012|1.921040|4.136364|4.333045|4.053144|4.594818|6.574859|9.199891|6.342101|4.478517|4.775539|25.987449|9.430837|38.384578|10.952761|5.194564|7.834649|4.186236|3.339254|2.821507|2.773837|3.211885|4.042354|22.916467|4.208417|2.084776|6.283287|0.042891|0.047554|0.041198|0.039088|0.042639|0.038815|0.042230|0.042108|0.040253|0.046387|0.052292|0.068862|0.062804|0.049497|0.106791|0.166094|0.500000| |1.386695|1.350228|1.949563|0.039533|1.353857|1.394675|1.604933|1.738476|1.985590|2.064542|1.848335|1.644573|3.277298|3.327448|2.920905|3.145060|3.994142|5.049376|4.284614|3.255466|3.758131|10.967722|9.405558|38.379823|26.035198|9.329948|10.951272|7.553787|5.023029|4.005645|3.968218|4.940239|7.363370|31.960588|5.634463|2.673921|4.041035|0.038256|0.041410|0.036459|0.034999|0.037472|0.035072|0.037574|0.038472|0.036709|0.041704|0.046521|0.059233|0.051705|0.042596|0.076895|0.126202|0.247582|0.500000| |1.071826|1.058772|1.518334|0.030762|1.078881|1.115025|1.217652|1.287452|1.417185|1.466845|1.364794|1.248044|2.225776|2.286442|1.894973|2.054598|2.395087|2.569974|2.290675|1.977186|2.411983|4.264485|3.743627|23.948298|6.553004|7.227533|13.386381|8.958309|17.753812|8.942334|5.638685|4.971122|5.667232|27.466278|7.474526|3.916182|2.626459|0.029562|0.031430|0.028477|0.027869|0.029490|0.028287|0.030067|0.030714|0.029896|0.032966|0.034729|0.041262|0.038461|0.033013|0.053812|0.064709|0.088630|0.123679|0.500000| |0.980762|0.963975|1.374502|0.027991|0.975342|1.005274|1.091542|1.154376|1.256464|1.283895|1.198126|1.108884|1.916805|1.944059|1.581282|1.676805|1.901189|2.044541|1.888362|1.659633|2.071284|3.277577|2.706371|17.451091|4.520529|4.151007|7.003637|5.650391|8.978160|17.776459|8.893680|5.643427|4.965070|31.467618|12.591177|7.493095|2.026107|0.027185|0.028629|0.026169|0.025501|0.026740|0.025742|0.027062|0.027850|0.026980|0.029483|0.031415|0.036634|0.033535|0.029395|0.044134|0.054137|0.069093|0.092339|0.216870|0.500000| |1.286446|1.250339|1.807072|0.037024|1.258706|1.304981|1.466958|1.597964|1.793519|1.813051|1.626206|1.476691|2.786377|2.751202|2.314113|2.383155|2.810801|3.408617|3.229593|2.604680|3.185544|6.030812|5.107472|28.352399|9.832946|6.829955|8.633723|8.841982|5.645355|4.963800|5.652890|9.048176|17.745777|54.844745|7.641594|3.335253|2.773548|0.035867|0.038056|0.033861|0.032671|0.034399|0.032842|0.034630|0.036380|0.034446|0.038726|0.043508|0.053960|0.044857|0.038287|0.059488|0.099926|0.125933|0.240194|0.124100|0.107788|0.500000| |0.904175|0.882349|1.250688|0.025649|0.884542|0.908947|0.982725|1.041604|1.119971|1.126439|1.052290|0.986732|1.652601|1.649895|1.316794|1.361779|1.503787|1.624365|1.555937|1.393699|1.783126|2.512202|1.976416|12.873994|3.129682|2.552991|4.213743|3.181583|3.625748|4.908869|5.906782|4.415017|3.414987|33.421500|17.010724|17.670317|1.551998|0.025242|0.026258|0.024226|0.023469|0.024326|0.023516|0.024387|0.025375|0.024384|0.026420|0.028660|0.032747|0.029183|0.026175|0.035897|0.045246|0.053106|0.066481|0.089125|0.146331|0.082427|0.500000| |0.916611|0.899152|1.279994|0.026199|0.908899|0.937723|1.008339|1.067806|1.151486|1.162971|1.086527|1.015630|1.713295|1.717617|1.376877|1.432775|1.591624|1.716516|1.629689|1.453644|1.848563|2.675307|2.156800|14.231235|3.449979|2.938498|4.936194|3.737614|4.590195|6.724976|7.048678|4.763679|3.797934|31.800013|16.428974|17.584161|1.655517|0.025539|0.026624|0.024500|0.023897|0.024831|0.024107|0.025104|0.026121|0.025202|0.027348|0.029295|0.033634|0.030207|0.026943|0.037770|0.047216|0.055975|0.071571|0.113272|0.224294|0.088562|0.299841|0.500000| |0.923185|0.902244|1.278056|0.026104|0.904104|0.927219|1.008242|1.065445|1.150711|1.167386|1.092555|1.019009|1.724883|1.737796|1.397036|1.463842|1.632401|1.750834|1.647840|1.467850|1.857213|2.742270|2.169417|13.943859|3.498554|2.929207|4.855194|3.727007|4.577691|6.714915|7.018674|4.736437|3.780679|31.580188|16.425886|17.581572|1.714656|0.025663|0.026885|0.024740|0.023939|0.024969|0.023979|0.025021|0.025775|0.024874|0.027023|0.029149|0.033539|0.030467|0.027062|0.038674|0.047466|0.058501|0.074136|0.112992|0.225269|0.087999|0.299884|0.298359|0.500000| |1.542970|1.517186|2.163327|0.042722|1.503926|1.515464|1.810951|1.893242|2.181818|2.442644|2.270043|1.950124|4.036224|4.609215|4.309558|5.937629|8.831447|6.646903|4.596237|3.977783|4.263240|9.132448|5.321918|30.438635|6.169812|3.747137|6.517349|3.058745|2.699191|2.311199|2.190517|2.372044|2.795863|16.944699|3.414461|1.763154|17.542208|0.041426|0.046697|0.040790|0.038855|0.043201|0.038598|0.042795|0.040750|0.039913|0.045640|0.048878|0.062011|0.066955|0.051236|0.152461|0.108213|0.201558|0.121801|0.076181|0.059085|0.080835|0.045157|0.047851|0.050315|0.500000| |1.507320|1.503818|2.174298|0.042936|1.532602|1.567319|1.820298|1.902939|2.192818|2.454856|2.281381|1.960061|4.054381|4.630244|4.328180|5.956449|8.871427|6.678812|4.608925|3.993671|4.281057|9.123861|6.364224|41.720245|6.687241|4.190256|7.801368|3.212774|2.831648|2.368536|2.205541|2.375007|2.840425|16.687840|3.408546|1.767003|17.581509|0.040559|0.045276|0.039615|0.038638|0.042775|0.039195|0.043655|0.042042|0.041518|0.047577|0.049122|0.062309|0.067266|0.051488|0.152796|0.108533|0.167622|0.120141|0.081704|0.060609|0.081626|0.045013|0.048701|0.050026|0.301731|0.500000| 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