Version2.2 2021-02-06T08:30:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[C@H](CC)C(=O)N1CCN(C[C@H]1C)C(=O)[C@@H]([C@@H](C)CC)NC(=O)CCCCC[NH3+] C35317780 RHF 6-31G(d) (6D,7F) CCCC[C@H](CC)C(=O)N1CCN(C[C@H]1C)C(=O)[C@@H]([C@@H](C)CC)NC(=O)CCCCC[NH3+] C01[X(C25H49N4O3)] 237 C1 578 CCCC[C@@H](C(=O)N1CCN(C[C@H]1C)C(=O)[C@@H]([C@H](CC)C)NC(=O)CCCCC[NH3+])CC CCCC[C@@H](C(=O)N1CCN(C[C@H]1C)C(=O)[C@@H]([C@H](CC)C)NC(=O)CCCCC[NH3+])CC CCCC[C@H](CC)C(=O)N1CCN(C[C@H]1C)C(=O)[C@H](NC(=O)CCCCC[NH3+])[C@@H](C)CC InChIKey=JPYLPPIAMCHOFP-OQLXKQOESA-O InChI=1S/C25H48N4O3/c1-6-9-13-21(8-3)24(31)29-17-16-28(18-20(29)5)25(32)23(19(4)7-2)27-22(30)14-11-10-12-15-26/h19-21,23H,6-18,26H2,1-5H3,(H,27,30)/p+1/t19-,20+,21-,23+/m0/s1 InChI=1/C25H48N4O3/c1-6-9-13-21(8-3)24(31)29-17-16-28(18-20(29)5)25(32)23(19(4)7-2)27-22(30)14-11-10-12-15-26/h19-21,23H,6-18,26H2,1-5H3,(H,27,30)/p+1/t19-,20+,21-,23+/m0/s1/fC25H49N4O3/h26-27H/q+1 CCCC[C@H](CC)C(=O)N1CCN(C[C@H]1C)C(=O)[C@@H]([C@@H](C)CC)NC(=O)CCCCC[NH3+] C01[X(C25H49N4O3)] 237 C01 578 CCCC[C@@H](C(=O)N1CCN(C[C@H]1C)C(=O)[C@@H]([C@H](CC)C)NC(=O)CCCCC[NH3+])CC CCCC[C@@H](C(=O)N1CCN(C[C@H]1C)C(=O)[C@@H]([C@H](CC)C)NC(=O)CCCCC[NH3])CC CCCC[C@H](CC)C(=O)N1CCN(C[C@H]1C)C(=O)[C@H](NC(=O)CCCCC[NH3])[C@@H](C)CC InChIKey=ASNIIRWMUUJWBP-OQLXKQOESA-N InChI=1S/C25H49N4O3/c1-6-9-13-21(8-3)24(31)29-17-16-28(18-20(29)5)25(32)23(19(4)7-2)27-22(30)14-11-10-12-15-26/h19-21,23H,6-18H2,1-5,26H3,(H,27,30)/t19-,20+,21-,23+/m0/s1 InChI=1/C25H49N4O3/c1-6-9-13-21(8-3)24(31)29-17-16-28(18-20(29)5)25(32)23(19(4)7-2)27-22(30)14-11-10-12-15-26/h19-21,23H,6-18H2,1-5,26H3,(H,27,30)/t19-,20+,21-,23+/m0/s1/f/h27H 3375.1955212515 -1417.4630003 1-A 30248.8677 125 453 578 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1.00783 1.00783 7518.0185 47920.4677 49718.5428 0.99999 0.00437 -0.00141 -0.00435 0.99991 0.01263 0.00147 -0.01263 0.99992 1 0.01152 0.00181 0.00174 0.24006 0.03766 0.03630 9.55 17.01 25.34 37.69 45.08 55.60 62.30 70.84 75.09 86.19 96.50 102.48 109.92 112.37 119.39 131.94 148.56 156.88 179.58 193.17 198.12 218.47 226.45 232.82 266.03 272.66 295.66 307.10 325.19 350.02 353.35 354.56 370.11 373.14 382.48 389.26 413.32 435.18 453.09 458.49 470.88 491.14 534.13 569.51 586.92 615.79 641.15 659.18 670.20 675.18 687.15 708.37 748.19 762.52 805.74 849.05 881.36 885.61 965.92 969.83 994.79 1034.90 1076.14 1116.86 1131.43 1134.65 1140.85 1172.21 1186.10 1228.64 1236.40 1260.49 1280.71 1298.53 1312.62 1328.28 1335.47 1359.25 1401.77 1407.17 1429.87 1432.36 1459.27 1467.31 1472.10 1487.82 1507.35 1513.60 1543.07 1551.22 1566.12 1585.63 1590.43 1595.70 1602.06 1603.54 1618.57 1633.39 1639.26 1647.23 1683.63 1695.54 1710.03 1739.08 1760.71 1767.53 1773.54 1778.10 1779.96 1787.02 1811.52 1842.77 1861.62 1868.75 1906.74 1913.97 1930.89 1936.05 1940.77 1954.46 1983.14 2002.48 2013.76 2016.36 2022.89 2041.49 2043.85 2052.87 2062.51 2091.95 2094.61 2097.93 2105.97 2111.43 2114.02 2117.17 2119.54 2137.10 2153.35 2157.92 2188.75 2192.75 2204.15 2209.85 2210.60 2215.65 2222.11 2241.76 2247.37 2251.97 2255.74 2258.59 2263.79 2264.96 2267.97 2269.70 2311.17 2326.83 2331.58 2349.11 2350.49 2352.02 2353.16 2354.17 2358.81 2359.22 2363.56 2364.12 2365.52 2366.05 2366.60 2369.40 2371.27 2373.61 2378.66 2379.70 2380.68 2382.10 2387.61 2389.24 2394.07 2417.81 2474.50 2630.59 2631.50 2717.04 2790.27 2792.06 4566.13 4593.03 4597.33 4598.11 4601.33 4601.37 4606.74 4610.02 4610.92 4612.43 4614.09 4614.61 4620.91 4622.75 4627.50 4632.87 4635.47 4639.10 4646.10 4648.70 4650.18 4650.29 4659.66 4661.53 4670.59 4672.78 4679.93 4689.55 4689.68 4697.40 4708.98 4711.96 4719.51 4721.36 4722.97 4726.74 4731.12 4734.87 4736.02 4790.58 4820.23 4820.93 4826.12 4827.46 4842.19 5218.50 5367.74 5368.74 5543.48 0.793783 0.830383 0.831328 0.718405 -1416.669217 -1416.632617 -1416.631673 -1416.744595 3.787422D-04 MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE CCCC[C@H](CC)C(=O)N1CCN(C[C@H]1C)C(=O)[C@@H]([C@@H](C)CC)NC(=O)CCCCC[NH3+] C35317780 RHF 6-31G(d) (6D,10F) C1 453.380467 |X|Y|Z| 42.725519 53.772997 159.782324 71.602267 6 6 7 4 2 |36.858105| |12.466719|36.858105| |7.469943|12.446377|36.858105| |4.867886|7.486336|12.442533|36.858105| |3.720520|4.850503|7.405765|12.394558|36.858105| |3.687356|4.613231|6.934720|8.988735|17.547124|0.500000| |3.434520|4.148362|6.061967|7.343666|12.312605|0.247918|36.858105| |3.184825|3.819584|5.023041|6.040152|7.339085|0.151580|12.450302|36.858105| |2.978007|3.774742|4.881032|7.583744|12.417364|0.246544|7.548930|6.129910|36.858105| |2.903224|3.738853|4.494881|7.025828|8.013802|0.169520|5.641889|5.392921|15.885984|73.516695| |2.514934|3.023754|3.775103|5.029037|7.612672|0.193995|6.197655|5.056848|13.789793|15.039148|53.358707| |2.435018|2.838340|3.550491|4.340320|6.384125|0.198818|5.483087|4.173899|7.693989|9.625458|17.830937|36.858105| |2.302777|2.664387|3.188162|3.805818|4.913580|0.157833|4.011904|3.238611|5.827144|8.337808|10.552757|12.444063|36.858105| |2.032806|2.342893|2.705272|3.241634|3.951404|0.116793|3.343405|2.889666|5.013735|7.911696|9.118688|7.755844|13.076491|53.358707| |2.059798|2.417674|2.771282|3.455253|4.151483|0.114302|3.476318|3.137810|5.880210|10.045015|10.588437|6.654451|7.734707|17.669587|36.858105| |2.150150|2.538454|2.993830|3.819686|4.913015|0.127509|4.305446|3.945348|7.670632|12.215099|17.600356|7.978353|6.636049|10.564436|12.471056|36.858105| |1.983854|2.291731|2.694919|3.293904|4.223905|0.112858|3.979366|3.653826|5.785596|9.007730|12.764698|7.713225|6.187926|9.913093|9.008306|17.544881|0.500000| |2.059812|2.435960|2.795168|3.563902|4.245314|0.104621|3.884000|3.940694|6.309746|12.216738|10.159913|5.026197|4.375462|6.786742|7.488044|12.478892|0.251087|36.858105| |1.800842|2.033687|2.291856|2.651179|3.097000|0.091408|2.720105|2.407805|3.700750|6.080756|6.238568|5.234965|7.607160|19.192814|7.847073|5.335931|0.150948|3.967071|36.858105| |1.657760|1.865614|2.068298|2.386232|2.720136|0.078209|2.426947|2.213717|3.265956|5.581860|5.342561|4.146731|5.286103|11.563580|7.006982|4.837393|0.137545|3.902612|15.760196|73.516695| |1.736878|1.924319|2.158075|2.411728|2.782542|0.084463|2.485508|2.173957|3.116540|5.056005|5.044671|4.492119|6.410759|10.386767|4.952921|3.922860|0.112816|3.067284|12.390617|14.327877|36.858105| |1.784674|1.966856|2.237169|2.476795|2.918091|0.090073|2.648887|2.277330|3.195316|5.043830|5.261762|5.008324|6.954418|9.579575|4.594362|3.916126|0.115583|3.015708|8.803558|10.747809|17.693667|0.500000| |1.801789|1.990041|2.197655|2.423935|2.706831|0.083317|2.361945|2.058882|2.950395|4.858449|4.502674|3.898398|5.596769|8.044858|4.239414|3.360817|0.091998|2.720825|7.485575|10.259238|12.268585|0.244385|36.858105| |2.005214|2.240765|2.495588|2.777734|3.110445|0.097688|2.631999|2.254881|3.378608|5.501757|5.081009|4.453521|6.887812|8.968851|4.653555|3.657711|0.097133|2.909045|7.080349|9.357675|8.902670|0.210843|17.519285|0.500000| |1.680720|1.856422|2.003637|2.214639|2.399733|0.071890|2.095190|1.873348|2.647822|4.525555|3.932856|3.187022|4.261888|6.609269|3.907416|3.037867|0.081872|2.571408|6.204347|10.192934|7.442430|0.152038|12.422588|0.248418|36.858105| |1.721400|1.861343|2.041193|2.182093|2.408178|0.074721|2.150907|1.873921|2.520092|4.133847|3.770777|3.283864|4.305261|5.689595|3.218679|2.735481|0.076004|2.275713|4.865975|7.230298|7.427793|0.194585|12.389761|0.248063|7.555767|36.858105| |1.820635|1.949925|2.171023|2.280034|2.553467|0.081070|2.311492|1.974769|2.586997|4.143475|3.875836|3.511643|4.439897|5.347615|3.033798|2.702726|0.075833|2.230198|4.223677|6.163194|5.997474|0.190904|7.349061|0.192728|4.870029|12.454216|36.858105| |1.534502|1.680361|1.858403|2.050819|2.324955|0.069147|2.133734|1.911866|2.582502|4.278214|4.111338|3.489836|4.401026|7.129420|3.961552|3.279305|0.096575|2.703374|7.938949|13.050946|13.144717|0.259923|7.632075|0.155918|6.391106|6.130774|4.882489|53.358707| |1.446472|1.565905|1.732755|1.883755|2.137570|0.063559|2.010454|1.806854|2.324390|3.826603|3.685726|3.151214|3.728242|5.622821|3.270731|2.881306|0.086675|2.417991|5.427442|9.049815|7.748162|0.211967|5.441871|0.120514|4.576596|5.254668|4.661035|19.255743|36.858105| |1.482512|1.594660|1.777299|1.911241|2.185824|0.065757|2.078576|1.846609|2.328297|3.775382|3.691751|3.249648|3.764475|5.299808|3.065502|2.791585|0.084373|2.326641|4.725199|7.460389|6.732174|0.221082|5.030594|0.116588|3.986669|5.304779|5.307948|11.504060|15.826202|73.516695| |1.301986|1.402203|1.534470|1.661296|1.858150|0.054375|1.767631|1.620583|2.020565|3.384161|3.154141|2.593188|2.943404|4.485994|2.793942|2.503594|0.075287|2.182526|4.160074|7.617032|5.026061|0.133005|3.989617|0.092225|3.742331|3.891995|3.468380|10.739636|12.502982|14.201623|36.858105| |1.225052|1.305870|1.425905|1.523195|1.696564|0.049666|1.638815|1.506842|1.810820|3.024776|2.795194|2.299095|2.529410|3.694846|2.346183|2.171817|0.065348|1.918910|3.222764|5.743177|3.823010|0.107423|3.223002|0.077150|2.988980|3.332519|3.146704|6.944190|7.542289|12.292127|12.488759|36.858105| |1.120596|1.190809|1.289636|1.374521|1.514877|0.043897|1.470878|1.371109|1.617157|2.732720|2.466961|1.981540|2.143882|3.147791|2.067093|1.929734|0.057747|1.746579|2.691815|4.938168|3.024193|0.083320|2.638526|0.064487|2.547090|2.689501|2.529274|5.241000|4.892437|7.926671|7.502185|12.450541|36.858105| |1.060528|1.118342|1.208284|1.275427|1.399811|0.040560|1.372135|1.282251|1.475364|2.489877|2.230499|1.789815|1.904842|2.733282|1.810647|1.719351|0.051300|1.567882|2.270303|4.093321|2.534900|0.071320|2.267235|0.056487|2.170122|2.359340|2.286189|4.153402|3.766464|6.584104|4.886523|7.522627|12.420217|36.858105| |0.982566|1.034126|1.110317|1.170537|1.274585|0.036678|1.252113|1.181386|1.343820|2.286544|2.014180|1.591754|1.680827|2.419823|1.634097|1.558240|0.046235|1.443327|1.988271|3.631386|2.162697|0.060159|1.964289|0.049498|1.917927|2.019731|1.946653|3.471232|2.987448|5.140224|3.761833|4.903768|7.544955|12.519956|36.858105| |0.935594|0.978911|1.048759|1.097728|1.191023|0.034270|1.177261|1.112838|1.244319|2.115600|1.852349|1.462482|1.529470|2.170861|1.472567|1.418273|0.041949|1.319263|1.754336|3.168407|1.903191|0.053491|1.751610|0.044660|1.699951|1.818488|1.782904|2.970332|2.522502|4.465405|2.995053|3.789633|4.927874|7.636573|12.533277|53.358707| |0.934853|0.975618|1.043759|1.088543|1.178401|0.034020|1.162412|1.095188|1.225485|2.081207|1.818128|1.440791|1.512883|2.133263|1.440450|1.383591|0.040750|1.283016|1.722261|3.089491|1.887123|0.053136|1.756309|0.044745|1.702154|1.847501|1.816665|2.932248|2.491032|4.452914|2.911050|3.696556|4.593158|7.010132|9.034960|25.646856|0.500000| |0.894003|0.934523|0.997856|1.043844|1.127877|0.032344|1.115579|1.059587|1.178563|2.012073|1.746728|1.369203|1.427634|2.029421|1.388364|1.339382|0.039491|1.255060|1.632328|2.962538|1.752125|0.048999|1.622358|0.041568|1.587388|1.674255|1.636439|2.712778|2.261580|3.974297|2.659783|3.227245|4.115524|5.623352|8.992091|25.643178|0.324583|0.500000| |0.944169|0.987053|1.060515|1.108843|1.207087|0.034720|1.199990|1.134555|1.258326|2.132693|1.877537|1.485381|1.540866|2.176232|1.476392|1.433535|0.042593|1.332578|1.746999|3.137631|1.890072|0.053633|1.727414|0.044264|1.659558|1.790472|1.776377|2.924433|2.495495|4.484454|2.913359|3.698636|4.594553|7.010811|9.035454|25.646581|0.325258|0.324583|0.500000| |17.533080|8.771766|6.768548|4.492562|3.620199|0.104143|3.322185|2.970778|2.886541|4.902741|3.381997|2.469262|2.362066|2.802476|2.048557|2.116992|0.054597|1.993655|1.831975|2.976937|1.790572|0.051363|1.873482|0.058113|1.733734|1.809833|1.935003|2.145800|1.489525|2.729330|1.334184|1.258320|1.146507|1.086666|1.003642|1.302075|0.026616|0.025349|0.026814|0.500000| |17.536604|8.772483|6.764093|4.498866|3.586282|0.097230|3.507319|3.327455|2.857740|4.915894|3.318953|2.357777|2.188788|2.637382|1.966866|2.084722|0.053915|2.010347|1.719688|2.821740|1.658468|0.047583|1.699884|0.052124|1.581114|1.628701|1.730456|2.006657|1.399402|2.557661|1.264073|1.195127|1.095571|1.040510|0.965244|1.254286|0.025552|0.024474|0.025892|0.301661|0.500000| |17.552821|8.775740|5.453677|4.044524|3.157601|0.086532|2.915144|2.773532|2.641373|4.673813|3.071135|2.176599|2.088566|2.551542|1.907574|1.970687|0.050568|1.908549|1.678453|2.770384|1.620037|0.045911|1.688849|0.051896|1.594699|1.616972|1.693882|1.963252|1.359298|2.465726|1.231407|1.159670|1.065973|1.009893|0.939217|1.218499|0.024860|0.023811|0.025054|0.301745|0.301793|0.500000| |8.860001|17.514824|8.855483|6.879751|4.568699|0.124350|3.711059|3.375956|3.736048|6.700244|4.088461|2.832935|2.747733|3.303380|2.499306|2.555020|0.063542|2.436263|2.111866|3.442876|1.998779|0.056231|2.101091|0.066282|1.975668|1.956442|2.029371|2.364135|1.605117|2.891239|1.434320|1.328819|1.210452|1.132698|1.046922|1.345415|0.027396|0.026209|0.027608|0.210508|0.172926|0.212886|0.500000| |8.860780|17.516622|8.860044|6.908659|4.505337|0.113218|3.975858|3.927142|3.676564|6.735673|3.981188|2.670593|2.487688|3.044547|2.356746|2.500125|0.062503|2.467266|1.946453|3.211190|1.821493|0.051424|1.866424|0.057845|1.759855|1.734983|1.799048|2.183557|1.495105|2.691651|1.349168|1.255854|1.151630|1.081316|1.004069|1.293526|0.026254|0.025257|0.026618|0.172920|0.210729|0.212716|0.304143|0.500000| |6.919178|8.890267|17.523804|8.799836|6.642925|0.167100|6.656682|5.735533|4.448901|7.215486|4.848477|3.354576|2.926239|3.411371|2.569553|2.841523|0.072371|2.687657|2.140976|3.454812|2.022136|0.058651|2.028657|0.063071|1.847153|1.899332|2.032551|2.396991|1.659857|3.040601|1.478296|1.383740|1.255434|1.182146|1.088168|1.403970|0.028486|0.027281|0.029058|0.170304|0.205229|0.141043|0.174075|0.211879|0.500000| |6.866268|8.863355|17.479000|8.822127|6.903662|0.212566|5.618555|4.343808|4.582662|7.211409|5.069573|3.709509|3.390605|3.801351|2.768076|2.934305|0.074246|2.657300|2.374163|3.758644|2.278970|0.066258|2.346526|0.074698|2.106367|2.205658|2.387629|2.647717|1.817637|3.342924|1.595089|1.485227|1.334461|1.251589|1.144521|1.472355|0.029986|0.028518|0.030386|0.203689|0.168598|0.140429|0.212261|0.173799|0.303887|0.500000| |4.579217|7.011022|8.883157|17.547727|8.910143|0.216616|5.437648|4.625127|7.150860|12.805377|6.612321|4.238541|3.984551|4.665630|3.666018|3.835900|0.090228|3.547753|2.799500|4.475654|2.533579|0.071167|2.602391|0.084122|2.403185|2.314052|2.380663|2.906757|1.935289|3.461923|1.702132|1.548412|1.395876|1.288805|1.182593|1.504472|0.030483|0.029198|0.030903|0.119928|0.112160|0.109910|0.212108|0.176539|0.173608|0.208909|0.500000| |4.512613|6.782089|8.829831|17.597414|8.811681|0.174949|6.643470|6.657799|6.916295|13.083668|6.317273|3.824914|3.343887|4.055088|3.285011|3.706858|0.088599|3.676392|2.467078|4.028038|2.219126|0.062791|2.207963|0.069119|2.051841|1.984722|2.049173|2.610713|1.766390|3.164608|1.576953|1.447632|1.317070|1.223232|1.129094|1.442135|0.029116|0.028067|0.029733|0.110736|0.119537|0.107958|0.168257|0.204894|0.212248|0.173262|0.306558|0.500000| |3.826305|4.443385|6.753729|6.696691|8.853000|0.220064|17.563416|8.866495|5.520202|7.880250|6.453482|4.579072|3.558236|4.014096|2.979815|3.511378|0.092024|3.185198|2.463168|3.910648|2.312505|0.068839|2.230515|0.068893|1.975649|2.074756|2.261481|2.720477|1.901779|3.527108|1.675302|1.569121|1.409714|1.325082|1.209687|1.556899|0.031472|0.030113|0.032414|0.104122|0.111401|0.087903|0.106797|0.114741|0.229499|0.180715|0.138669|0.162746|0.500000| |2.925020|3.404286|4.640297|5.428507|8.823848|0.216340|17.551912|8.896358|6.986772|9.031987|9.437681|6.567322|4.394972|4.923643|3.676784|4.707445|0.126634|4.058161|2.928017|4.599563|2.677843|0.080697|2.480238|0.076093|2.166956|2.257295|2.448631|3.124152|2.179887|4.039677|1.903745|1.766471|1.575111|1.467619|1.331871|1.701542|0.034223|0.032806|0.035511|0.080196|0.082697|0.070305|0.087120|0.090395|0.137206|0.126896|0.123469|0.137673|0.305223|0.500000| |2.887394|3.298015|4.162414|4.586876|5.411421|0.123570|8.828959|17.554631|4.702101|7.453364|5.781809|3.703785|2.900893|3.556243|2.788816|3.469863|0.092874|3.476679|2.222746|3.654891|2.032750|0.059526|1.912326|0.057482|1.739293|1.761531|1.866905|2.465846|1.734301|3.168709|1.566146|1.470151|1.342644|1.263675|1.166407|1.501991|0.030138|0.029205|0.031356|0.075503|0.085504|0.070505|0.081082|0.093813|0.135113|0.103727|0.102651|0.136110|0.212779|0.217159|0.500000| |2.833207|3.418512|4.276365|5.467097|6.676178|0.138040|8.739432|17.560505|6.830559|11.286845|7.731065|4.317589|3.343597|4.195649|3.484484|4.589080|0.115876|4.868863|2.547111|4.207778|2.246572|0.064728|2.103909|0.063730|1.930360|1.887491|1.960858|2.696222|1.858951|3.342746|1.673912|1.544391|1.408838|1.309716|1.208830|1.542788|0.030891|0.030005|0.032065|0.073581|0.080593|0.070062|0.086798|0.098954|0.126883|0.104197|0.123771|0.173513|0.172803|0.208987|0.301898|0.500000| |3.606349|4.417421|5.678515|6.579947|6.561489|0.137536|8.738925|17.575283|5.333361|9.017006|5.757467|3.555991|2.907386|3.562598|2.846499|3.427405|0.087088|3.494612|2.209682|3.638733|2.008092|0.057897|1.934614|0.058952|1.780801|1.769625|1.855115|2.414392|1.672863|3.028763|1.508593|1.405101|1.284895|1.204378|1.114321|1.431908|0.028810|0.027890|0.029727|0.090357|0.106173|0.086900|0.104757|0.131840|0.187943|0.127407|0.135921|0.223980|0.211828|0.173209|0.302450|0.302248|0.500000| |2.182848|2.487123|3.044859|3.580923|4.961707|0.147814|4.787004|3.846231|5.758580|7.855162|12.526315|17.570196|8.859822|9.459466|5.904401|7.348064|0.241263|4.810540|5.165920|7.413491|4.509988|0.144636|3.691837|0.111373|3.020730|3.172230|3.413188|4.942938|3.377650|6.271895|2.777665|2.475145|2.120039|1.913488|1.691706|2.111421|0.042271|0.040211|0.044001|0.061445|0.059437|0.054616|0.068363|0.065681|0.082088|0.087791|0.095877|0.090625|0.113640|0.167346|0.099011|0.111335|0.090119|0.500000| |2.686317|3.115103|4.052906|4.786065|7.442747|0.266158|6.511104|4.478903|7.158500|8.841122|12.324731|17.687006|8.878594|7.670007|4.941408|5.697782|0.152853|4.118970|4.219046|6.098229|3.904404|0.122823|3.565078|0.114097|2.911060|3.148800|3.504393|4.215091|2.864997|5.372527|2.374095|2.150747|1.859325|1.702814|1.516299|1.913916|0.038650|0.036583|0.039748|0.076569|0.072486|0.065595|0.085193|0.079759|0.106915|0.121680|0.125467|0.112470|0.156224|0.221441|0.110523|0.121280|0.105822|0.304379|0.500000| |2.185418|2.466233|2.920308|3.318699|4.151208|0.136221|3.572478|2.891887|4.518927|6.654078|7.676695|8.894123|17.679037|12.361818|5.625256|4.995601|0.138994|3.574539|7.187611|8.793817|7.551153|0.265027|6.458197|0.216176|4.455280|5.179452|5.716976|6.696165|4.253986|7.966085|3.211546|2.775309|2.298218|2.044144|1.779100|2.203756|0.044683|0.041720|0.045356|0.063097|0.057894|0.055176|0.070453|0.063491|0.075284|0.088026|0.095414|0.081103|0.091360|0.109740|0.073662|0.081317|0.072577|0.216272|0.214716|0.500000| |2.535873|2.985491|3.566121|4.317353|5.363228|0.178711|4.050259|3.246092|6.160375|8.992111|9.434768|8.865392|17.508607|12.412679|6.813399|5.703189|0.138195|4.076522|6.126365|8.166053|5.393633|0.153249|5.443744|0.203684|4.307186|4.228000|4.305854|5.228470|3.253815|5.805930|2.631828|2.284675|1.963146|1.757290|1.564048|1.947466|0.039467|0.037249|0.039899|0.072564|0.065804|0.063749|0.087423|0.076380|0.087945|0.106628|0.131828|0.102253|0.101042|0.116813|0.079335|0.091999|0.082938|0.174027|0.215992|0.302745|0.500000| |1.856733|2.149470|2.411426|2.929782|3.393714|0.092845|2.957568|2.756187|4.532513|8.101899|7.647377|4.997436|5.668786|12.525498|17.702609|8.816151|0.213484|6.941907|7.723405|15.084083|4.759862|0.118340|3.996306|0.115619|3.883337|3.050018|2.806125|5.542450|3.330594|5.385039|2.927851|2.419403|2.156260|1.867167|1.694619|2.061712|0.040964|0.039756|0.042052|0.051192|0.049439|0.048242|0.061680|0.058715|0.062749|0.066629|0.085888|0.078926|0.071607|0.086716|0.069345|0.085235|0.070147|0.132990|0.109161|0.127497|0.140764|0.500000| |2.202461|2.630674|2.978653|3.802544|4.370037|0.119149|3.475618|3.148044|6.278533|11.653396|9.540457|5.770036|6.836229|12.362210|17.541705|8.855828|0.175268|6.689002|6.242388|10.128729|4.363200|0.111455|4.085250|0.129254|3.900131|3.119811|2.919338|4.773375|2.907503|4.872379|2.510447|2.133300|1.896498|1.674757|1.521609|1.876818|0.037617|0.036236|0.038288|0.060577|0.057720|0.056842|0.076871|0.071324|0.075097|0.081995|0.116937|0.100291|0.083173|0.098128|0.076359|0.096588|0.081239|0.134606|0.128097|0.140038|0.197171|0.301349|0.500000| |2.137154|2.563825|2.885715|3.750106|4.219395|0.102715|3.693688|3.792304|6.287508|14.254127|8.661936|4.413459|4.055483|6.224927|6.902315|8.717824|0.174886|17.678326|3.691508|6.516337|2.886217|0.077635|2.648942|0.079458|2.558002|2.212339|2.147149|3.457744|2.253507|3.839634|2.042966|1.797312|1.644531|1.479060|1.368067|1.705234|0.033939|0.033196|0.035021|0.057009|0.057433|0.055368|0.072057|0.072923|0.075887|0.075197|0.106627|0.109778|0.085183|0.102528|0.091210|0.128901|0.097169|0.112553|0.104139|0.092157|0.110634|0.178673|0.199778|0.500000| |2.105980|2.485266|2.880797|3.656953|4.400952|0.105006|4.299609|4.641129|6.248303|11.745470|9.527014|4.735752|3.884635|5.626898|5.481375|8.823189|0.210075|17.583085|3.364978|5.808733|2.725634|0.075998|2.436248|0.072257|2.282700|2.089181|2.083687|3.303314|2.220061|3.855818|2.015571|1.803357|1.648680|1.496617|1.381694|1.731673|0.034365|0.033666|0.035842|0.056210|0.057812|0.053956|0.067740|0.070596|0.078679|0.075039|0.097242|0.107415|0.095993|0.125181|0.114158|0.170167|0.111130|0.128590|0.112563|0.090571|0.100987|0.140163|0.140218|0.302177|0.500000| |1.843744|2.140551|2.412248|2.963725|3.439568|0.087433|3.231846|3.290278|4.679833|8.841781|7.566016|4.256779|3.881391|6.311952|6.685528|8.942412|0.228539|17.540677|3.939045|7.248293|3.024818|0.081639|2.637633|0.076474|2.532669|2.208952|2.139504|3.741557|2.465549|4.158646|2.266288|1.981239|1.819000|1.622755|1.500307|1.856485|0.036668|0.036100|0.038243|0.049779|0.050106|0.047849|0.059627|0.060199|0.064826|0.064317|0.082425|0.084555|0.075927|0.094813|0.083461|0.109454|0.082118|0.118840|0.097920|0.091110|0.098887|0.200813|0.158627|0.300380|0.301621|0.500000| |1.536689|1.681157|1.806369|1.978193|2.140100|0.063580|1.906687|1.722509|2.346961|4.023232|3.498642|2.821046|3.603900|5.597332|3.404231|2.729640|0.075050|2.353592|5.359406|9.457750|6.633214|0.139011|8.765051|0.173905|17.553721|6.898993|4.481171|9.465434|5.029170|7.445942|4.269788|3.329260|2.838664|2.375281|2.092024|2.494111|0.051033|0.047423|0.049291|0.043974|0.040401|0.040645|0.049347|0.044488|0.046719|0.052552|0.058916|0.051365|0.050139|0.055015|0.044831|0.049318|0.045476|0.076151|0.071917|0.105849|0.098425|0.096646|0.092417|0.064570|0.058502|0.065419|0.500000| |1.709120|1.879669|2.002416|2.188788|2.322180|0.069762|2.015286|1.803377|2.515335|4.333715|3.630771|2.908583|3.794400|5.562123|3.435067|2.741983|0.072952|2.363833|4.756492|7.856136|5.451702|0.123053|8.824135|0.217377|17.563610|6.908886|4.619453|6.475275|3.729221|6.021094|3.153162|2.626990|2.280127|1.982863|1.770301|2.160355|0.044378|0.041350|0.042995|0.049180|0.044361|0.045281|0.056109|0.049298|0.050949|0.058703|0.066619|0.056174|0.053257|0.057195|0.046434|0.051272|0.048082|0.075550|0.075528|0.109419|0.111300|0.093416|0.098544|0.066237|0.058866|0.064075|0.302282|0.500000| |1.699640|1.898585|2.047151|2.303982|2.493215|0.073525|2.158388|1.948086|2.828870|4.919882|4.208095|3.301811|4.407379|7.383575|4.543732|3.358914|0.089033|2.857752|7.019460|12.475701|6.832377|0.139260|8.701416|0.210483|17.582171|5.470217|4.007143|7.977206|4.174734|6.394964|3.528358|2.799959|2.432557|2.067417|1.848400|2.226707|0.045173|0.042654|0.044442|0.048269|0.044402|0.044847|0.056211|0.050394|0.052313|0.059059|0.069897|0.059797|0.055876|0.061796|0.049942|0.056395|0.051438|0.086314|0.081989|0.120722|0.124020|0.129120|0.127774|0.079765|0.069120|0.078646|0.301750|0.302023|0.500000| |1.722405|1.853240|2.002239|2.120550|2.287775|0.070762|2.030306|1.779457|2.370010|3.939540|3.454392|2.928323|3.749504|4.941015|2.923537|2.493139|0.068216|2.115884|4.077005|6.298220|5.476950|0.141388|8.935286|0.212386|7.277822|17.530611|8.902448|6.457624|4.134893|7.314650|3.302929|2.893351|2.416350|2.149373|1.871291|2.312127|0.048137|0.043737|0.046268|0.050482|0.044981|0.045230|0.054600|0.047876|0.051449|0.060183|0.063061|0.053600|0.054763|0.058351|0.046371|0.049630|0.047159|0.077391|0.079067|0.119484|0.106960|0.077152|0.080897|0.057942|0.054112|0.056886|0.182354|0.219890|0.145198|0.500000| |1.570906|1.688495|1.841717|1.963888|2.162598|0.066084|1.966486|1.736729|2.273800|3.759641|3.420181|2.932688|3.688467|5.073890|2.943731|2.529746|0.071386|2.136531|4.495919|7.022073|6.857252|0.177375|8.835484|0.174567|6.772694|17.536978|8.850362|9.346781|6.261003|10.938353|4.617473|3.925136|3.090771|2.671240|2.251530|2.728838|0.056809|0.050927|0.054466|0.045665|0.041547|0.041165|0.048998|0.044054|0.048060|0.054786|0.057358|0.050195|0.052686|0.057565|0.045715|0.048765|0.045530|0.080745|0.077604|0.120427|0.098145|0.079508|0.078177|0.057408|0.054638|0.058443|0.202109|0.165799|0.139360|0.304561|0.500000| |1.733521|1.829312|2.013010|2.076861|2.287756|0.072029|2.100291|1.811676|2.284099|3.693087|3.364617|2.971918|3.569062|4.369595|2.587248|2.346986|0.065897|1.981171|3.425267|5.208611|4.567465|0.140437|5.420536|0.142408|4.085065|8.819181|17.553222|5.513855|4.050528|8.254259|3.180356|3.002339|2.445766|2.256806|1.925081|2.426352|0.050937|0.045422|0.049264|0.051424|0.045867|0.045027|0.052786|0.046878|0.052656|0.061548|0.059958|0.052128|0.057768|0.061401|0.047923|0.049698|0.047596|0.080831|0.083642|0.121285|0.097563|0.067265|0.069738|0.053213|0.051898|0.053002|0.108512|0.111755|0.094485|0.217874|0.211231|0.500000| |1.775893|1.903738|2.143947|2.262919|2.587695|0.081829|2.388624|2.036585|2.636051|4.174328|4.052677|3.768863|4.646486|5.585464|3.120851|2.834060|0.081450|2.313183|4.436177|6.400863|6.455813|0.235350|6.495734|0.166443|4.365207|8.730167|17.582954|7.267481|5.438102|12.150018|3.853644|3.528651|2.754207|2.485198|2.082155|2.588413|0.053618|0.048156|0.053023|0.052152|0.047315|0.045712|0.054413|0.049037|0.056391|0.065138|0.064678|0.056747|0.064639|0.071616|0.053866|0.056271|0.052571|0.105548|0.103728|0.173353|0.117968|0.080319|0.081182|0.060899|0.060291|0.061930|0.114533|0.110274|0.103760|0.173226|0.212166|0.303255|0.500000| |2.027830|2.181168|2.451017|2.562825|2.875276|0.093664|2.553644|2.141000|2.856836|4.520862|4.216232|3.877437|4.972760|5.584120|3.176163|2.847642|0.078500|2.330765|4.141836|5.955144|5.409337|0.171133|6.738885|0.208367|4.565878|8.764733|17.521443|5.707187|3.889954|7.664052|2.993364|2.718382|2.241214|2.041845|1.765570|2.216609|0.045925|0.041805|0.045217|0.060379|0.053169|0.052027|0.063357|0.055240|0.063055|0.076157|0.074762|0.062926|0.069786|0.074582|0.055754|0.058580|0.055977|0.100993|0.110617|0.179637|0.140297|0.079581|0.086407|0.062699|0.060651|0.061131|0.111513|0.124198|0.108086|0.209429|0.172799|0.302478|0.300043|0.500000| |1.481364|1.627243|1.785957|1.983566|2.226768|0.065244|2.040772|1.855399|2.509263|4.233864|3.967153|3.238876|4.002261|6.831468|4.025370|3.265642|0.095553|2.753201|7.767427|15.663325|9.201450|0.184932|6.366012|0.137012|6.323636|4.984825|3.976238|26.008123|9.421591|10.873071|7.569331|4.751527|3.821450|2.974239|2.543451|2.931790|0.058623|0.055090|0.058526|0.042026|0.039525|0.038853|0.046805|0.043454|0.047002|0.051438|0.057582|0.052036|0.052828|0.060561|0.048770|0.053858|0.047993|0.093024|0.079204|0.117601|0.098836|0.120540|0.099071|0.072281|0.067910|0.079177|0.199882|0.129756|0.175059|0.115082|0.152091|0.094561|0.116624|0.098360|0.500000| |1.269621|1.366694|1.482861|1.603878|1.772002|0.051754|1.671332|1.538618|1.927382|3.262834|2.964844|2.402274|2.758218|4.231773|2.673941|2.356955|0.069544|2.079435|3.943662|7.426783|4.712852|0.118732|4.002561|0.091292|3.998859|3.912119|3.329525|9.961973|8.900740|10.813542|17.534124|8.795824|6.816619|4.516372|3.649301|3.939545|0.078844|0.072317|0.076525|0.036129|0.034122|0.033502|0.039035|0.036562|0.039516|0.042762|0.045973|0.042360|0.044071|0.049493|0.041152|0.044162|0.040066|0.070052|0.061314|0.082569|0.069981|0.078446|0.067907|0.054783|0.053104|0.059972|0.133639|0.093649|0.103939|0.094590|0.131739|0.085722|0.098707|0.079961|0.214718|0.500000| |1.292151|1.397682|1.531800|1.671318|1.876229|0.054340|1.793314|1.658792|2.066753|3.477724|3.255489|2.634266|2.937860|4.600973|2.933189|2.644693|0.080679|2.324372|4.261610|8.173753|4.718130|0.123980|3.649106|0.086656|3.477875|3.398915|3.070186|9.505910|8.959904|11.213301|17.511023|8.809683|6.852822|4.533007|3.663929|3.951981|0.076686|0.072542|0.079129|0.036584|0.034931|0.033944|0.039605|0.037555|0.041106|0.043914|0.047423|0.044362|0.046859|0.053819|0.044584|0.047981|0.042747|0.079279|0.066110|0.086906|0.072318|0.087283|0.072117|0.059917|0.059418|0.068154|0.107495|0.081407|0.094827|0.081339|0.106764|0.077648|0.094399|0.075821|0.206540|0.303865|0.500000| |1.248302|1.329500|1.461361|1.559185|1.752190|0.051326|1.710874|1.569567|1.863189|3.086570|2.899943|2.407810|2.597747|3.740632|2.371094|2.238969|0.068284|1.968354|3.192503|5.580590|3.741108|0.109597|3.088017|0.075405|2.784516|3.178313|3.128989|6.442822|6.992822|13.023938|8.904086|17.579637|8.835554|6.912132|4.567886|5.044944|0.099423|0.087353|0.104824|0.035619|0.033959|0.032709|0.037384|0.035501|0.039592|0.042312|0.043710|0.041137|0.045526|0.051679|0.042761|0.044606|0.040427|0.073266|0.062730|0.079643|0.064402|0.067324|0.059388|0.050741|0.051775|0.056349|0.083644|0.068288|0.073054|0.076176|0.100834|0.082614|0.100185|0.075824|0.119676|0.173580|0.211177|0.500000| |1.226184|1.300841|1.416473|1.501683|1.663659|0.049038|1.601598|1.464806|1.756406|2.929332|2.684433|2.222248|2.464952|3.526262|2.224180|2.053331|0.061049|1.811008|3.044720|5.315298|3.724533|0.105483|3.281262|0.078145|3.022405|3.569064|3.388737|6.552758|6.921030|12.308527|8.888965|17.556190|8.841177|6.906367|4.564835|5.040117|0.104664|0.087283|0.099361|0.035145|0.033168|0.032269|0.036848|0.034612|0.038109|0.041208|0.042499|0.039472|0.042891|0.047740|0.039660|0.041441|0.038092|0.065669|0.058465|0.076037|0.062585|0.062928|0.056880|0.047459|0.047391|0.051413|0.094052|0.074838|0.076806|0.086380|0.120369|0.092110|0.104832|0.079649|0.120895|0.211247|0.173499|0.305007|0.500000| |1.097004|1.165694|1.255034|1.337472|1.462543|0.042346|1.410007|1.316947|1.562996|2.658985|2.364886|1.885375|2.060341|3.042150|2.008761|1.853408|0.054834|1.686898|2.616793|4.859692|2.935042|0.079031|2.628218|0.063855|2.609716|2.682780|2.463296|5.109042|4.535744|7.124751|6.859515|8.823596|17.519514|8.845064|6.938296|6.244558|0.121861|0.110307|0.113632|0.031171|0.029709|0.029079|0.033042|0.031333|0.033821|0.036046|0.037924|0.035629|0.037555|0.041656|0.035695|0.037611|0.034447|0.055344|0.049160|0.061004|0.052979|0.058472|0.051672|0.044492|0.044046|0.048792|0.082368|0.065203|0.069065|0.067899|0.086422|0.066472|0.072969|0.060636|0.106007|0.204210|0.170250|0.173285|0.211091|0.500000| |1.112955|1.186454|1.286286|1.378095|1.522238|0.043808|1.483531|1.392204|1.637679|2.776386|2.509878|1.995927|2.137081|3.178765|2.116608|1.988096|0.059954|1.813349|2.710851|5.064734|2.944487|0.080753|2.526012|0.062343|2.452164|2.504004|2.357508|5.059458|4.558591|7.257964|6.876225|8.831321|17.519341|8.846690|6.944416|6.248877|0.113667|0.110385|0.121969|0.031505|0.030279|0.029405|0.033434|0.031996|0.034855|0.036786|0.038790|0.036854|0.039300|0.044219|0.037925|0.039952|0.036161|0.059709|0.051639|0.062845|0.054088|0.062003|0.053564|0.047197|0.047537|0.053000|0.075106|0.060731|0.066317|0.062579|0.078247|0.062604|0.071341|0.058891|0.105271|0.169700|0.206134|0.210852|0.173386|0.303132|0.500000| |1.075544|1.133167|1.229760|1.296554|1.430875|0.041455|1.413954|1.320641|1.503733|2.524809|2.283511|1.840270|1.933971|2.752674|1.822839|1.752973|0.052716|1.595369|2.260534|4.035323|2.511031|0.071956|2.218608|0.055790|2.087914|2.301945|2.278491|4.039317|3.692919|6.689544|4.563451|6.919048|8.840673|17.521983|8.877204|9.548262|0.174601|0.144947|0.210208|0.030611|0.029403|0.028379|0.031757|0.030431|0.033553|0.035393|0.036205|0.034539|0.037961|0.042240|0.036313|0.037418|0.034331|0.055179|0.048753|0.057786|0.049245|0.051948|0.046600|0.041556|0.042542|0.045819|0.062531|0.052974|0.055453|0.057902|0.071424|0.062319|0.069754|0.056834|0.079358|0.111858|0.120721|0.209054|0.172031|0.173580|0.211872|0.500000| 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