Version2.1 2021-01-13T03:45:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n[nH]1)C)CCN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2Cc3cccc(c3OC)OC C12702874 RHF 6-31G(d) (6D,7F) Cc1c(c(n[nH]1)C)CCN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2Cc3cccc(c3OC)OC C01[X(C23H34N5O4)] 192 C1 548 COc1cccc(c1OC)C[NH+]1CCNC(=O)[C@H]1CC(=O)N(CCc1c(C)n[nH]c1C)C COc1cccc(c1OC)C[NH+]1CCNC(=O)[C@H]1CC(=O)N(CCc1c(C)n[nH]c1C)C COc1cccc(C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CCc3c(C)[nH]nc3C)c1OC InChIKey=BICMSGDSPSGTHC-LJQANCHMSA-O InChI=1S/C23H33N5O4/c1-15-18(16(2)26-25-15)9-11-27(3)21(29)13-19-23(30)24-10-12-28(19)14-17-7-6-8-20(31-4)22(17)32-5/h6-8,19H,9-14H2,1-5H3,(H,24,30)(H,25,26)/p+1/t19-/m1/s1 InChI=1/C23H33N5O4/c1-15-18(16(2)26-25-15)9-11-27(3)21(29)13-19-23(30)24-10-12-28(19)14-17-7-6-8-20(31-4)22(17)32-5/h6-8,19H,9-14H2,1-5H3,(H,24,30)(H,25,26)/p+1/t19-/m1/s1/fC23H34N5O4/h24-25,28H/q+1 Cc1c(c(n[nH]1)C)CCN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2Cc3cccc(c3OC)OC C01[X(C23H34N5O4)] 192 C01 548 COc1cccc(c1OC)C[NH+]1CCNC(=O)[C@H]1CC(=O)N(CCc1c(C)n[nH]c1C)C CO[C]1[C]([CH][CH][CH][C]1OC)C[NH]1CCNC(=O)[C@H]1C[C]([N](CC[C]1[C](C)[NH][N][C]1C)C)[O] CO[C]1[CH][CH][CH][C](C[NH]2CCNC(=O)[C@H]2C[C]([O])N(C)CC[C]3[C](C)[N]N[C]3C)[C]1OC InChIKey=GOZAIWKWKOLPAC-LJQANCHMSA-N InChI=1S/C23H34N5O4/c1-15-18(16(2)26-25-15)9-11-27(3)21(29)13-19-23(30)24-10-12-28(19)14-17-7-6-8-20(31-4)22(17)32-5/h6-8,19,28H,9-14H2,1-5H3,(H,24,30)(H,25,26)/t19-/m1/s1 InChI=1/C23H34N5O4/c1-15-18(16(2)26-25-15)9-11-27(3)21(29)13-19-23(30)24-10-12-28(19)14-17-7-6-8-20(31-4)22(17)32-5/h6-8,19,28H,9-14H2,1-5H3,(H,24,30)(H,25,26)/t19-/m1/s1/f/h24-25H 3416.9337518918 -1462.265545 1-A 17945.0516 119 429 548 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1219.85 1251.21 1253.87 1277.96 1305.35 1369.03 1417.23 1455.66 1485.56 1487.97 1507.15 1533.98 1549.99 1561.09 1582.83 1592.39 1602.94 1611.47 1617.73 1621.72 1677.54 1677.99 1688.66 1705.38 1708.76 1732.69 1745.64 1749.22 1773.54 1795.63 1801.86 1810.99 1851.83 1855.18 1857.79 1885.19 1895.23 1900.21 1908.78 1926.42 1939.85 1958.96 1992.38 2002.97 2015.88 2019.90 2034.43 2049.51 2062.26 2088.54 2096.83 2098.46 2123.56 2166.29 2179.45 2217.44 2221.65 2229.71 2239.52 2247.84 2255.94 2268.21 2283.92 2313.81 2324.36 2327.42 2331.30 2340.48 2340.57 2343.96 2348.20 2351.86 2355.90 2362.07 2362.63 2365.15 2369.64 2374.93 2376.86 2377.34 2383.27 2386.71 2390.46 2392.40 2393.18 2414.27 2421.79 2433.80 2437.77 2580.04 2591.46 2592.32 2664.84 2848.52 4610.37 4619.02 4623.98 4639.05 4646.17 4653.12 4662.87 4671.47 4679.67 4689.33 4695.50 4700.71 4701.26 4712.90 4726.88 4742.20 4746.10 4746.70 4750.16 4756.93 4797.22 4804.02 4810.29 4818.47 4820.95 4823.31 4850.60 4851.68 4862.98 4884.52 4919.63 5117.81 5520.67 5635.01 0.611043 0.642461 0.643405 0.542884 -1461.654503 -1461.623084 -1461.622140 -1461.722661 3.371491D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE Cc1c(c(n[nH]1)C)CCN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2Cc3cccc(c3OC)OC C12702874 RHF 6-31G(d) (6D,10F) C1 444.261080 |X|Y|Z| 60.913581 39.197131 112.685779 64.557372 23 6 7 18 5 |36.858105| |12.717217|36.858105| |7.264833|13.905809|36.858105| |5.157909|8.633282|13.367598|36.858105| |5.223202|8.528095|8.474299|14.664446|53.358707| |7.676087|14.203258|8.795025|9.098948|19.437744|53.358707| |6.850449|9.065698|6.073673|6.292809|12.878864|26.100057|0.500000| |3.708882|5.183081|7.246479|12.703507|10.643952|7.338528|0.120281|36.858105| |5.738921|7.349599|12.679488|7.275423|7.021873|7.124218|0.115495|5.861913|36.858105| |4.730241|5.515653|7.568867|5.574128|5.813617|5.839432|0.099041|4.952460|12.418730|36.858105| |3.671603|3.973253|4.978214|4.039428|4.434466|4.428680|0.078236|3.896875|7.611956|12.976662|53.358707| |3.582528|3.580295|4.135122|3.319581|3.824097|3.963372|0.071730|3.111130|5.876403|7.600421|17.778243|36.858105| |3.015573|3.334161|4.179889|3.697429|4.063240|3.907465|0.069701|3.867229|5.813321|7.910232|19.488619|7.781053|36.858105| |2.884151|3.315942|4.255516|4.029514|4.343508|4.014488|0.071215|4.542416|5.511142|6.994094|11.535120|5.320292|15.611528|73.516695| |2.515407|2.681779|3.187187|2.877279|3.295793|3.204145|0.058496|3.010914|4.144614|4.994658|10.545897|6.664144|12.494983|14.383296|36.858105| |2.195362|2.373257|2.810306|2.652300|3.061681|2.916046|0.053585|2.893677|3.473963|3.890705|6.946382|4.409937|7.572475|12.591964|12.432448|36.858105| |1.995418|2.120910|2.454087|2.315876|2.725150|2.619927|0.048650|2.491438|2.970429|3.268529|5.691001|3.899415|5.527250|9.014313|8.883786|17.579192|0.500000| |2.264110|2.480802|2.982189|2.838340|3.237721|3.052655|0.055795|3.158357|3.702920|3.811314|6.393656|4.061481|6.420848|11.485844|7.651396|12.365671|0.250744|36.858105| |2.397383|2.591289|3.101629|2.866714|3.272762|3.136428|0.057282|3.088732|3.952705|3.886669|6.572390|4.428556|6.002398|9.774328|6.977734|8.121810|0.194080|15.935633|73.516695| |2.099850|2.333835|2.794070|2.771589|3.185797|2.944032|0.054035|3.207754|3.300290|3.314667|5.147002|3.246897|4.892882|9.767912|5.199080|7.680102|0.176929|14.189817|15.119184|53.358707| |1.966839|2.201143|2.614481|2.669740|3.102717|2.829943|0.052197|3.164655|2.980558|3.088699|4.655114|2.889417|4.414470|9.456538|4.532040|6.522453|0.152513|7.731335|9.508570|17.956603|36.858105| |1.858682|2.043928|2.387105|2.394165|2.821418|2.615479|0.048582|2.741723|2.731877|2.960738|4.611720|2.911131|4.437892|9.077162|4.960865|7.713436|0.190227|6.719921|8.417667|10.738863|12.595133|36.858105| |2.054794|2.249412|2.650642|2.589017|3.014125|2.825470|0.052129|2.899495|3.133665|3.578113|5.919872|3.630735|6.208130|12.379273|7.489407|12.649226|0.253873|7.463388|9.337845|9.174639|7.763528|12.758992|53.358707| |2.222252|2.474617|2.967208|2.926267|3.356672|3.110640|0.056909|3.334285|3.509111|4.119023|6.666734|3.832853|7.295928|17.112103|7.247631|9.327748|0.182485|6.686228|8.770362|8.475080|7.360792|9.298349|25.480707|0.500000| |1.893137|2.033935|2.333827|2.266482|2.699309|2.565412|0.047870|2.469390|2.703674|3.153306|5.177202|3.342712|4.957148|9.077765|6.132472|7.628458|0.202274|4.912814|7.004489|6.066599|4.994300|7.626450|17.188341|0.258285|36.858105| |1.739325|1.876710|2.128114|2.115122|2.558090|2.412099|0.045349|2.325354|2.380702|2.743710|4.241444|2.741340|3.831056|7.369275|4.224826|4.931113|0.131405|3.755558|5.520436|5.019401|4.415971|6.450749|10.225738|0.190908|12.623978|36.858105| |1.546420|1.651259|1.843288|1.834356|2.251858|2.135842|0.040522|1.998092|2.035671|2.294820|3.501400|2.341714|3.041443|5.695110|3.391955|3.922397|0.111208|3.147947|4.760516|4.269057|3.674478|5.105542|7.121559|0.130052|7.584552|13.695862|36.858105| |1.442584|1.541336|1.704482|1.715775|2.131634|2.016617|0.038497|1.869569|1.845991|2.062871|3.060972|2.051394|2.589390|4.897708|2.775087|3.110572|0.086756|2.628821|4.055138|3.636798|3.138514|4.030371|5.402515|0.104416|5.045287|7.961340|13.816566|36.858105| |1.479739|1.594192|1.763450|1.797864|2.241204|2.104058|0.040178|1.973407|1.884356|2.112812|3.065907|2.021852|2.574467|4.981483|2.649416|2.909529|0.078515|2.510528|3.884570|3.510300|3.070144|3.769392|5.078816|0.103682|4.455849|6.885249|7.935924|13.733611|36.858105| |1.644080|1.792297|2.005656|2.058281|2.541074|2.364753|0.044836|2.285879|2.144956|2.442302|3.517905|2.257192|2.994798|5.974972|2.985234|3.249663|0.084547|2.784668|4.260664|3.891673|3.465113|4.220461|5.894406|0.127284|5.019962|7.890168|6.823872|7.905662|13.737206|36.858105| |1.807003|1.975939|2.247891|2.276040|2.755407|2.567535|0.048194|2.535460|2.466788|2.868293|4.260978|2.675804|3.788963|7.673664|3.822716|4.232557|0.107109|3.433149|5.113025|4.698986|4.225872|5.509017|8.434884|0.186713|7.607789|13.743791|7.908596|6.877413|7.939540|13.613418|36.858105| |2.059969|2.293127|2.665720|2.712809|3.218286|2.965671|0.054981|3.069942|2.946646|3.521180|5.164829|3.075884|4.724391|10.321076|4.385743|4.673576|0.110754|3.830984|5.673210|5.186098|4.625739|5.560179|9.276440|0.248217|6.932111|8.156173|5.263386|4.618575|5.200377|7.864515|14.032042|73.516695| |2.200742|2.456147|2.826385|2.881457|3.452909|3.192310|0.059233|3.182544|3.050462|3.772480|5.256139|3.111925|4.463161|9.415270|3.893487|3.793193|0.091244|3.223331|5.005570|4.274100|3.583855|3.985784|6.534242|0.166897|4.958969|5.456129|4.053098|3.777046|4.358766|6.236920|7.905930|23.775907|36.858105| |1.674860|1.842297|2.054272|2.146095|2.672365|2.463603|0.046811|2.398677|2.149529|2.436972|3.395200|2.159592|2.826415|5.724571|2.704962|2.869710|0.073598|2.547012|3.956697|3.586772|3.160368|3.584750|4.985983|0.111887|3.944132|5.285197|4.613674|5.198601|7.883904|14.215382|8.184703|12.391696|6.612154|73.516695| |1.520063|1.661039|1.823184|1.913898|2.427022|2.245039|0.043102|2.118326|1.878470|2.090966|2.879931|1.868958|2.341321|4.644997|2.255077|2.377832|0.062074|2.158636|3.412717|3.053443|2.638635|2.915011|3.957856|0.086521|3.108170|3.973114|3.783675|4.508447|6.708865|7.995968|5.237198|8.179043|4.584188|24.042703|36.858105| |17.561875|8.894087|5.649194|4.467880|6.501705|9.497376|0.194264|3.325932|4.559113|3.771002|4.192339|3.045672|2.613064|4.480474|2.235522|1.987242|0.050666|2.067217|3.901983|2.637202|1.814931|1.709265|2.536412|0.055494|1.720922|1.590996|1.427781|1.338326|1.370928|1.511914|1.647698|3.302028|1.967493|2.739660|1.410788|0.500000| |17.544957|8.877790|5.875460|4.502458|6.338687|8.924075|0.173836|3.361621|4.880403|4.495740|4.792028|3.462316|2.887491|4.899543|2.424322|2.105002|0.053367|2.127060|3.955800|2.684453|1.870470|1.792654|2.711992|0.059916|1.864661|1.724972|1.536277|1.438989|1.480715|1.645233|1.799807|3.638572|2.221465|2.990395|1.531048|0.301618|0.500000| |17.600921|8.917132|6.772147|4.626847|5.944805|7.727896|0.139547|3.505659|6.356846|5.126015|5.582071|4.188875|3.267692|5.386691|2.739563|2.347877|0.059368|2.424881|4.646300|3.005989|2.036183|1.929898|2.930109|0.064219|1.978539|1.791767|1.591218|1.472082|1.497560|1.658921|1.839786|3.719328|2.209454|2.971779|1.509449|0.302398|0.301612|0.500000| |3.459267|4.617527|6.448693|8.849246|8.129248|6.218905|0.104402|17.547259|5.929734|5.631271|6.035698|3.371585|4.558809|10.184902|3.412739|3.273864|0.076708|3.490957|5.889677|4.805293|3.571523|3.116771|4.576189|0.111189|2.827796|2.661496|2.239591|2.083044|2.214338|2.617876|2.954220|6.600546|3.882123|4.900129|2.379930|0.084692|0.089485|0.092648|0.500000| |3.286764|4.431191|5.478532|8.972603|10.238924|6.780108|0.116676|17.607427|4.441341|3.947709|4.393030|2.658524|3.234731|6.696513|2.616707|2.559385|0.062188|2.764379|4.765386|3.899292|2.898957|2.527795|3.560664|0.082719|2.266713|2.182587|1.897549|1.801047|1.918836|2.215102|2.402722|5.093621|2.988774|4.200292|2.119676|0.084075|0.084369|0.084867|0.300458|0.500000| |3.460317|4.628334|6.368412|8.886631|8.313562|6.302550|0.106080|17.535489|5.713590|4.566470|5.181194|3.086269|3.866809|8.021274|3.074201|3.019690|0.072199|3.447031|6.067252|4.850682|3.415296|2.856004|4.033707|0.093177|2.471643|2.299742|1.986043|1.845858|1.926310|2.207957|2.461396|5.219743|2.934056|4.053498|2.016478|0.087860|0.085535|0.093468|0.302224|0.301117|0.500000| |4.479307|5.628530|8.939157|6.796855|6.446862|6.104772|0.101377|6.429025|17.553928|8.896527|9.626516|5.332153|6.256265|11.122890|4.453672|3.884125|0.090507|4.396148|8.422446|5.356386|3.448769|3.045942|4.692610|0.107381|2.860857|2.496713|2.125431|1.915414|1.947909|2.219051|2.571592|5.475502|3.079008|3.927974|1.921157|0.105779|0.107364|0.134969|0.181228|0.130965|0.193380|0.500000| |6.248057|6.817236|8.902122|5.528872|5.949050|6.436677|0.108562|4.512874|17.538514|8.835909|9.368928|6.367776|5.114977|8.103460|3.949479|3.268348|0.079586|3.490536|6.895550|4.162286|2.711308|2.514104|3.907396|0.086720|2.518429|2.203275|1.911019|1.730770|1.748739|1.961528|2.242550|4.645040|2.679907|3.463781|1.718687|0.138292|0.142149|0.219533|0.123694|0.100880|0.126447|0.304427|0.500000| |5.303102|5.720205|6.797927|4.964074|5.576618|5.933105|0.102592|4.192661|8.802232|17.593391|12.520583|7.242560|5.916821|9.254390|4.239894|3.325774|0.080208|3.192480|5.812846|3.822641|2.651839|2.593626|4.220633|0.097050|2.851873|2.523899|2.143966|1.946542|1.996480|2.287298|2.639368|5.631101|3.494513|4.079334|1.993965|0.113338|0.148704|0.159857|0.127625|0.097196|0.105795|0.173939|0.212866|0.500000| |4.142379|5.067683|6.995620|5.994283|6.131368|5.797566|0.098308|5.720988|8.836908|17.688517|12.519406|5.657738|7.588012|14.349130|4.744093|3.895506|0.089717|3.768683|6.519156|4.619706|3.291163|3.149508|5.172934|0.126784|3.328039|2.962807|2.438011|2.205837|2.297965|2.715465|3.202390|7.280712|4.543705|4.897983|2.331489|0.094272|0.111637|0.117643|0.199544|0.125731|0.138351|0.210686|0.173707|0.303452|0.500000| |4.124191|3.923232|4.328678|3.371336|3.963004|4.240241|0.077092|3.033433|5.871727|7.509376|12.535097|17.650257|5.776269|7.849537|4.891968|3.551078|0.088908|3.335305|6.395483|3.789285|2.528553|2.534083|4.180464|0.090691|2.888036|2.453162|2.123425|1.892360|1.882096|2.095482|2.434307|4.950107|2.901323|3.614630|1.779672|0.095188|0.113158|0.137680|0.089780|0.072560|0.082093|0.136821|0.184917|0.237612|0.151658|0.500000| |3.030899|3.011242|3.392936|2.847575|3.349955|3.445170|0.063366|2.727860|4.463783|5.704218|12.293622|17.612113|6.986165|8.639833|7.174810|4.562276|0.115864|3.926749|7.408280|4.254632|2.822878|2.948923|5.107699|0.107247|3.618801|2.911902|2.496355|2.162847|2.105525|2.330918|2.780861|5.564533|3.142304|3.904530|1.897484|0.073120|0.083108|0.095847|0.082655|0.066111|0.075020|0.116531|0.129925|0.156269|0.131112|0.303793|0.500000| |3.490557|3.460448|3.983176|3.200859|3.695144|3.832916|0.069584|3.013021|5.695998|6.172107|12.239966|17.573147|6.626782|8.505495|6.215793|4.365351|0.109336|4.278405|8.890929|4.577632|2.887813|2.850270|4.700926|0.098863|3.109960|2.549910|2.210158|1.937261|1.895854|2.093230|2.460413|4.950212|2.750960|3.552084|1.743545|0.084230|0.090989|0.115686|0.088598|0.071532|0.085404|0.151396|0.185170|0.157327|0.131937|0.301604|0.299790|0.500000| |2.539122|2.652233|3.108786|2.751276|3.176874|3.135156|0.057459|2.817769|4.091253|4.648320|9.641377|7.322362|8.806751|10.752440|17.669220|9.048797|0.221210|7.216941|14.030059|6.542551|3.972303|4.170494|7.560883|0.145997|4.758710|3.484982|2.939526|2.449385|2.325967|2.563503|3.158170|6.250458|3.203813|4.172461|2.000837|0.063073|0.067377|0.078257|0.086107|0.068095|0.081048|0.121874|0.113910|0.112046|0.116547|0.143922|0.219283|0.214780|0.500000| |2.378352|2.495819|2.891131|2.620852|3.062213|3.003052|0.055364|2.705845|3.628182|4.512189|9.095483|6.238353|8.867031|11.396314|17.578833|8.732526|0.211594|5.515952|9.012527|5.684512|3.884868|4.488605|9.220422|0.179875|6.780494|4.553255|3.650640|2.948955|2.786349|3.119674|4.022905|7.967802|4.057572|4.952328|2.317531|0.058774|0.064847|0.071549|0.085045|0.066440|0.075241|0.103791|0.096847|0.112535|0.120697|0.132769|0.212210|0.151524|0.304705|0.500000| |2.106948|2.350549|2.809664|2.809784|3.236954|2.980055|0.054728|3.267933|3.272791|3.147616|4.730295|3.032400|4.256438|8.369447|4.337545|5.663910|0.137763|9.650294|13.989601|25.963240|9.013554|5.719003|6.804432|0.133880|3.614647|3.104181|2.707916|2.365457|2.303947|2.533323|2.967254|5.805823|2.787754|4.232819|2.063927|0.054464|0.054439|0.061465|0.096977|0.081294|0.104053|0.110173|0.084884|0.074384|0.088651|0.073368|0.079762|0.088857|0.116517|0.098608|0.500000| |2.092008|2.386826|2.878642|3.012876|3.456658|3.093718|0.056657|3.714928|3.236215|3.363216|4.892643|2.935175|4.626094|10.757789|4.349925|5.650493|0.127777|6.408546|8.475094|12.341297|17.553534|8.883998|9.459872|0.215996|4.657739|4.297991|3.490157|3.063464|3.115254|3.650635|4.438841|9.253042|4.048634|6.132614|2.839768|0.053354|0.055249|0.059572|0.120104|0.094388|0.110715|0.104688|0.079614|0.079228|0.102850|0.072101|0.078414|0.080218|0.104201|0.104306|0.204627|0.500000| |1.801393|2.006362|2.344426|2.420832|2.864955|2.611460|0.048590|2.861749|2.608256|2.653312|3.912853|2.495375|3.536429|7.307876|3.642302|4.921953|0.124582|5.785686|7.880884|12.551578|17.614676|8.984858|7.662127|0.147186|4.136257|3.873094|3.409490|3.000146|2.929498|3.211062|3.718484|6.918297|3.103466|5.250340|2.534150|0.046652|0.047605|0.051535|0.087466|0.074525|0.086200|0.082916|0.066673|0.064444|0.078049|0.061674|0.067881|0.069801|0.091881|0.089384|0.221132|0.301638|0.500000| |1.764667|1.943554|2.248491|2.288641|2.728861|2.517692|0.047010|2.632075|2.512760|2.741380|4.149368|2.623356|3.858958|7.995307|4.122782|5.619211|0.142857|4.926385|6.691079|7.733934|8.887375|17.696233|12.380155|0.220459|7.194957|7.619301|6.000340|4.833704|4.603843|5.224194|6.782357|11.183741|4.289287|7.612908|3.408978|0.045181|0.047619|0.050413|0.083424|0.068649|0.074921|0.076566|0.063938|0.067676|0.082389|0.064665|0.073993|0.070433|0.097005|0.108501|0.126125|0.216574|0.212897|0.500000| |1.733801|1.880431|2.165583|2.150474|2.563524|2.402610|0.044925|2.415014|2.475437|2.650956|4.161818|2.731748|3.874834|7.434041|4.580228|7.128760|0.207533|6.276573|8.204730|9.612648|8.824919|17.601726|12.385372|0.180988|6.895326|5.738407|5.057032|3.931124|3.504137|3.705954|4.602124|7.825150|3.344356|5.561226|2.626085|0.044575|0.046464|0.050248|0.074607|0.062168|0.070218|0.076075|0.064566|0.065472|0.076590|0.066154|0.077891|0.075423|0.112080|0.117282|0.148466|0.173406|0.215608|0.300479|0.500000| |1.772772|1.882051|2.135733|2.061418|2.476076|2.371904|0.044508|2.222803|2.471309|2.815480|4.634485|3.134136|4.275895|7.497961|5.613570|7.192588|0.229463|4.736491|6.912097|5.786694|4.553632|6.815924|12.372761|0.181672|17.627858|8.903475|7.360542|4.806015|3.999800|4.183896|5.611803|8.889376|3.881704|5.937909|2.748552|0.045087|0.048411|0.051732|0.069310|0.056903|0.062433|0.072640|0.065170|0.071519|0.080539|0.075288|0.095523|0.082856|0.129772|0.172908|0.096818|0.112783|0.108853|0.171694|0.201618|0.500000| |2.018548|2.153543|2.466291|2.355447|2.801120|2.688543|0.050077|2.516799|2.889378|3.501087|5.924598|3.826675|5.628490|9.693938|7.006961|7.070114|0.180901|4.560107|6.813663|5.390348|4.210312|5.622323|12.445087|0.230611|17.667397|8.913966|5.981502|4.370098|4.019626|4.607870|6.750004|12.070511|5.381694|6.712621|2.989745|0.050535|0.055643|0.058855|0.080381|0.063678|0.069073|0.083196|0.074880|0.088908|0.102056|0.091214|0.118693|0.095606|0.145120|0.248639|0.091595|0.113539|0.097510|0.147308|0.141829|0.301740|0.500000| |1.493394|1.581714|1.758203|1.734840|2.133282|2.036926|0.038721|1.874128|1.953250|2.181930|3.368764|2.302459|2.906909|5.303037|3.357413|3.921089|0.117043|3.138001|4.792955|4.198823|3.494613|4.827155|6.679630|0.117049|7.020804|8.884147|17.719766|8.932316|5.644090|4.926654|5.630863|7.562828|3.411095|6.508072|3.128597|0.038423|0.041122|0.042925|0.057741|0.049286|0.052160|0.056710|0.051513|0.056777|0.063332|0.057776|0.068797|0.061013|0.082544|0.100807|0.074172|0.089563|0.091023|0.146917|0.143426|0.226408|0.155015|0.500000| |1.336787|1.419464|1.557109|1.565518|1.959250|1.861468|0.035709|1.694673|1.678166|1.855426|2.742150|1.865950|2.284986|4.267246|2.459684|2.737523|0.077675|2.359383|3.693911|3.266983|2.764754|3.444803|4.548013|0.087336|4.105008|5.653288|8.937333|17.738392|8.941232|5.642222|4.956006|6.514695|3.125412|7.459710|3.913459|0.034628|0.037056|0.037892|0.051864|0.045538|0.046631|0.048265|0.044043|0.048948|0.054598|0.048089|0.054676|0.049306|0.061483|0.072402|0.059803|0.074296|0.074824|0.111093|0.096324|0.114024|0.100994|0.215139|0.500000| |1.389723|1.493908|1.638166|1.679099|2.114837|1.986463|0.038150|1.836280|1.729620|1.920207|2.748272|1.827090|2.267128|4.366130|2.309849|2.505308|0.067850|2.213911|3.474558|3.110843|2.685494|3.168327|4.217490|0.086613|3.562676|4.962745|5.662931|8.957064|17.771509|8.914067|5.642078|7.443596|3.734175|12.563085|7.481550|0.035938|0.038712|0.038893|0.056683|0.050093|0.049689|0.049469|0.044723|0.050782|0.057860|0.047701|0.052597|0.047773|0.057179|0.067077|0.057608|0.076046|0.072425|0.104936|0.082855|0.091052|0.091377|0.124511|0.217152|0.500000| |2.107971|2.301406|2.592895|2.588901|3.151839|2.974463|0.055712|2.769489|2.806228|3.495177|4.973197|3.060270|4.091597|8.002304|3.729027|3.536623|0.087572|2.944012|4.647420|3.828608|3.131844|3.563287|5.904827|0.141285|4.878225|5.425944|4.155377|3.894268|4.440026|6.056254|7.340898|16.385566|17.585257|10.818650|4.432245|0.052431|0.059760|0.059044|0.091049|0.072411|0.071371|0.077379|0.069946|0.092972|0.112498|0.079984|0.088119|0.074432|0.086194|0.113047|0.069633|0.094628|0.076389|0.105543|0.086057|0.108086|0.154892|0.097434|0.089849|0.105810|0.500000| |2.512461|2.847567|3.352468|3.387575|3.962515|3.652027|0.066760|3.723526|3.662929|4.759315|6.441273|3.608882|5.423949|11.849103|4.328148|4.012811|0.093883|3.460796|5.437444|4.494961|3.645089|3.883103|6.550942|0.173939|4.643383|4.619897|3.503583|3.201597|3.541615|4.686787|5.887322|16.895803|17.668644|8.700398|3.697197|0.061473|0.070336|0.070084|0.130604|0.094557|0.093528|0.101597|0.087128|0.119940|0.169486|0.093424|0.098862|0.086922|0.098025|0.122445|0.081884|0.116186|0.086225|0.110712|0.090371|0.102519|0.143968|0.084979|0.075453|0.086045|0.298708|0.500000| |2.103999|2.364174|2.688976|2.819806|3.440773|3.141923|0.058720|3.151569|2.804769|3.344527|4.484321|2.707449|3.692085|7.779523|3.237540|3.217488|0.078733|2.851621|4.475174|3.885973|3.292160|3.545845|5.419059|0.133541|4.028921|4.590197|3.637266|3.571473|4.317638|6.230979|6.649603|16.398500|17.698936|14.027746|5.433683|0.052677|0.059104|0.057915|0.105869|0.084647|0.079799|0.078625|0.068457|0.087024|0.111749|0.071305|0.075035|0.067556|0.076315|0.092023|0.071749|0.104618|0.081432|0.108275|0.083534|0.091389|0.116401|0.085203|0.083272|0.106688|0.299303|0.299248|0.500000| |1.438322|1.570641|1.723827|1.813975|2.302567|2.126385|0.040886|2.019617|1.777232|1.949562|2.696547|1.760379|2.201484|4.364299|2.144984|2.303742|0.060657|2.117315|3.339996|3.040164|2.654392|2.921808|3.828215|0.082240|2.969524|3.791581|3.746778|4.586756|6.720691|7.027817|4.748744|7.287379|3.868668|16.420845|17.584682|0.037270|0.040026|0.039742|0.062453|0.056333|0.054022|0.050894|0.045357|0.051390|0.059869|0.046411|0.049567|0.046069|0.053247|0.060696|0.057304|0.078592|0.072283|0.096249|0.073848|0.074208|0.077587|0.086864|0.113447|0.224800|0.102504|0.089696|0.122383|0.500000| |1.459571|1.578579|1.717618|1.783542|2.273872|2.126205|0.040998|1.942007|1.773409|1.982547|2.746303|1.806602|2.209741|4.295756|2.152682|2.242166|0.059204|2.016904|3.216198|2.813277|2.384803|2.661057|3.674345|0.079208|2.967223|3.778713|3.724829|4.561383|6.701806|7.028114|4.752277|7.266288|4.171624|16.413074|17.583722|0.037667|0.041048|0.040334|0.060157|0.053740|0.051372|0.049997|0.045431|0.053087|0.060781|0.047995|0.051380|0.046708|0.053353|0.062288|0.052870|0.070155|0.063523|0.084917|0.067798|0.073897|0.080445|0.086343|0.112799|0.224317|0.118920|0.094349|0.131695|0.298366|0.500000| 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