Version2.0 2020-01-11T12:37:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCCN1CC(=O)N2[C@H](C1=O)CC3=c4ccccc4=[NH+][C@@H]3[C@H]2c5cc(c(c(c5)OC)OC)OC C63138464 RHF 6-31G(d) (6D,7F) CCCCCN1CC(=O)N2[C@H](C1=O)CC3=c4ccccc4=[NH+][C@@H]3[C@H]2c5cc(c(c(c5)OC)OC)OC C01[X(C28H34N3O5)] 204 C1 608 CCCCCN1CC(=O)N2[C@H](C1=O)CC1=c3ccccc3=[NH+][C@@H]1[C@H]2c1cc(OC)c(c(c1)OC)OC CCCCCN1CC(=O)N2[C@H](C1=O)CC1=c3ccccc3=[NH+][C@@H]1[C@H]2c1cc(OC)c(c(c1)OC)OC CCCCCN1CC(=O)N2[C@@H](CC3=C4C=CC=CC4=[NH+][C@@H]3[C@H]2c5cc(OC)c(OC)c(OC)c5)C1=O InChIKey=JYYPZTUSLQWIQQ-OUIFVKKZSA-O InChI=1S/C28H33N3O5/c1-5-6-9-12-30-16-24(32)31-21(28(30)33)15-19-18-10-7-8-11-20(18)29-25(19)26(31)17-13-22(34-2)27(36-4)23(14-17)35-3/h7-8,10-11,13-14,21,25-26H,5-6,9,12,15-16H2,1-4H3/p+1/t21-,25-,26+/m0/s1 InChI=1/C28H33N3O5/c1-5-6-9-12-30-16-24(32)31-21(28(30)33)15-19-18-10-7-8-11-20(18)29-25(19)26(31)17-13-22(34-2)27(36-4)23(14-17)35-3/h7-8,10-11,13-14,21,25-26H,5-6,9,12,15-16H2,1-4H3/p+1/t21-,25-,26+/m0/s1/fC28H34N3O5/h29H/q+1 CCCCCN1CC(=O)N2[C@H](C1=O)CC3=c4ccccc4=[NH+][C@@H]3[C@H]2c5cc(c(c(c5)OC)OC)OC C01[X(C28H34N3O5)] 204 C01 608 CCCCCN1CC(=O)N2[C@H](C1=O)CC1=c3ccccc3=[NH+][C@@H]1[C@H]2c1cc(OC)c(c(c1)OC)OC CCCCCN1CC(=O)N2[C@H](C1=O)CC1=C3C=CC=C[C@@H]3N[C@@H]1[C@H]2c1cc(OC)c(c(c1)OC)OC CCCCCN1CC(=O)N2[C@@H](CC3=C4C=CC=C[C@@H]4N[C@@H]3[C@H]2c5cc(OC)c(OC)c(OC)c5)C1=O InChIKey=XNCFKISRWBAWMI-KZHJIPFUSA-N InChI=1S/C28H35N3O5/c1-5-6-9-12-30-16-24(32)31-21(28(30)33)15-19-18-10-7-8-11-20(18)29-25(19)26(31)17-13-22(34-2)27(36-4)23(14-17)35-3/h7-8,10-11,13-14,20-21,25-26,29H,5-6,9,12,15-16H2,1-4H3/t20-,21-,25-,26+/m0/s1 InChI=1/C28H35N3O5/c1-5-6-9-12-30-16-24(32)31-21(28(30)33)15-19-18-10-7-8-11-20(18)29-25(19)26(31)17-13-22(34-2)27(36-4)23(14-17)35-3/h7-8,10-11,13-14,20-21,25-26,29H,5-6,9,12,15-16H2,1-4H3/t20-,21-,25-,26+/m0/s1 4001.9625458833 -1617.5449531 1-A 21532.2290 131 477 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.67454 -20.66820 -20.64705 -20.64056 -20.63741 -15.76949 -15.72072 -15.70336 -11.48023 -11.46969 -11.46504 -11.44554 -11.43830 -11.41963 -11.41749 -11.41747 -11.39881 -11.39636 -11.39155 -11.38782 -11.38579 -11.38302 -11.38001 -11.37428 -11.36645 -11.36063 -11.35334 -11.35323 -11.35304 -11.33008 -11.32762 -11.31385 -11.30316 -11.29083 -11.28147 -11.26677 -1.52260 -1.51257 -1.50923 -1.50178 -1.47755 -1.46054 -1.39839 -1.36444 -1.30143 -1.26633 -1.25061 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14310.2266 26858.0157 34953.8719 0.99940 -0.03456 -0.00310 0.03455 0.99940 -0.00384 0.00323 0.00373 0.99999 1 0.00605 0.00322 0.00248 0.12612 0.06720 0.05163 18.39 22.06 30.67 52.11 67.04 68.30 75.87 81.17 91.29 107.44 132.34 140.23 146.02 151.30 160.20 193.83 199.93 214.31 226.13 235.05 244.39 269.41 298.12 305.81 322.50 335.87 365.94 378.24 381.72 405.73 422.14 450.90 465.17 474.43 526.25 534.18 561.49 567.08 582.52 597.28 661.81 671.77 674.41 693.80 745.35 756.70 789.81 799.22 808.28 827.68 837.23 846.68 857.20 892.42 939.76 945.64 979.93 999.30 1027.35 1047.33 1068.52 1093.35 1132.39 1135.20 1171.95 1178.90 1192.80 1217.04 1230.26 1247.15 1262.14 1281.70 1330.36 1342.75 1358.51 1367.09 1389.75 1420.27 1426.21 1458.79 1486.23 1497.66 1512.31 1522.57 1536.58 1569.28 1577.70 1581.11 1609.41 1610.86 1618.76 1637.42 1641.50 1646.66 1665.73 1695.95 1711.80 1714.10 1759.85 1773.47 1798.42 1813.11 1821.02 1853.29 1853.69 1858.10 1859.55 1862.59 1875.19 1881.56 1908.29 1917.77 1920.02 1922.06 1943.35 1955.06 1966.29 1998.70 2009.57 2012.40 2026.96 2032.02 2040.53 2053.14 2077.31 2081.02 2090.11 2099.06 2115.25 2133.58 2143.54 2154.40 2165.09 2181.30 2191.41 2195.85 2225.77 2237.27 2258.26 2258.87 2263.90 2299.96 2301.79 2326.59 2333.31 2333.56 2349.75 2354.01 2356.06 2359.73 2363.50 2365.27 2370.08 2370.85 2376.25 2376.86 2377.84 2381.57 2383.73 2383.93 2388.04 2398.66 2462.09 2511.36 2542.85 2564.64 2572.74 2653.79 2770.08 2824.90 4581.02 4589.66 4598.84 4605.78 4608.07 4608.10 4613.80 4629.09 4630.50 4638.15 4638.80 4657.68 4676.13 4692.91 4695.68 4698.02 4708.73 4726.83 4738.72 4738.89 4797.06 4800.83 4802.01 4803.85 4812.42 4816.01 4849.04 4876.40 4901.69 4908.45 4914.86 4929.52 4937.28 5555.81 0.634419 0.666911 0.667855 0.566736 -1616.910534 -1616.878042 -1616.877098 -1616.978217 3.391548D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2020 DUDE CCCCCN1CC(=O)N2[C@H](C1=O)CC3=c4ccccc4=[NH+][C@@H]3[C@H]2c5cc(c(c(c5)OC)OC)OC C63138464 RHF 6-31G(d) (6D,10F) C1 492.249846 |X|Y|Z| 79.175005 115.560148 43.695559 73.667822 23 6 7 20 3 |36.858105| |12.468297|36.858105| |7.478505|12.451101|36.858105| |4.864985|7.466530|12.450270|36.858105| |3.748035|4.874975|7.513554|12.471261|36.858105| |2.992458|3.773563|4.948992|7.627613|12.997633|53.358707| |2.717146|3.368640|4.139872|5.887993|7.592727|17.900984|36.858105| |2.241042|2.663406|3.149195|4.066280|5.079217|10.538056|12.589116|36.858105| |2.062555|2.399267|2.784518|3.421580|4.111178|7.392781|8.046111|15.917265|73.516695| |2.098118|2.474400|2.890212|3.685149|4.541661|9.401517|7.841579|13.959985|14.993360|53.358707| |2.253759|2.703319|3.156753|4.149480|5.001510|10.670337|6.983605|7.800841|9.512394|17.676732|36.858105| |2.268602|2.751159|3.116041|4.131345|4.568053|9.107952|6.499655|6.688228|8.631902|12.269524|17.527109|0.500000| |2.680091|3.295750|4.089802|5.734748|7.832437|19.372652|7.875855|6.664813|8.403468|10.519946|12.378626|0.247657|36.858105| |2.725910|3.302337|4.083132|5.355774|6.867118|11.520501|5.367321|4.729575|6.538349|7.414855|7.985428|0.180456|15.830068|73.516695| |2.006845|2.339497|2.676037|3.300979|3.860146|6.979446|4.504407|5.076820|7.141969|10.428603|12.295659|0.246038|7.575212|12.463542|36.858105| |1.861079|2.126212|2.452942|2.931376|3.540907|6.175597|4.117221|4.972919|7.376644|10.054747|7.889259|0.160020|5.954804|9.892666|12.835674|36.858105| |1.847264|2.078625|2.424475|2.815079|3.468884|5.680439|3.669730|4.225133|6.519048|7.445046|5.614027|0.120264|5.193128|9.316620|7.348741|14.095828|36.858105| |1.924972|2.144475|2.517078|2.850392|3.502491|5.353847|3.292253|3.508720|5.445694|5.722299|4.606074|0.103495|4.852229|9.768065|5.707811|7.436635|13.206202|36.858105| |1.825653|1.993035|2.330875|2.553029|3.105896|4.523452|2.859096|3.023535|4.869428|4.671444|3.565552|0.083178|3.804523|7.454101|4.099771|5.147205|7.973236|14.192099|36.858105| |1.681273|1.822944|2.116647|2.306471|2.792359|4.094042|2.710933|2.959503|4.936572|4.487908|3.215697|0.075698|3.301911|6.095217|3.580590|4.668061|6.908889|7.868408|13.184978|36.858105| |1.628005|1.778906|2.057066|2.278302|2.761483|4.194329|2.879728|3.300383|5.610020|5.077849|3.444217|0.080354|3.360785|5.919805|3.811703|5.313356|7.669074|6.596080|7.694819|14.028762|36.858105| |1.702455|1.892201|2.192423|2.500249|3.057036|4.900453|3.374530|4.050687|6.677458|6.724168|4.459606|0.100031|4.090017|6.992967|5.141227|8.468179|13.184265|7.620216|6.807745|8.084234|13.481012|36.858105| |1.647204|1.840891|2.111015|2.435496|2.931520|4.838919|3.536218|4.558723|7.762166|7.797808|4.681225|0.106388|3.960218|6.429177|5.191443|8.318993|8.420123|5.280654|4.649297|5.254397|7.711024|14.447422|53.358707| |1.545466|1.713582|1.947695|2.218711|2.628621|4.243012|3.189782|4.093680|7.381173|6.538271|3.888982|0.092093|3.351542|5.450031|4.151283|5.851526|5.916760|4.229367|3.948387|4.642709|6.820441|9.282993|25.998158|0.500000| |1.712308|1.942547|2.213272|2.619169|3.109066|5.381019|3.960617|5.272206|8.412530|10.575063|6.322100|0.140388|4.647262|7.305174|7.516095|12.747866|8.169154|5.065637|4.095173|4.148133|5.188172|8.333078|17.822334|0.243626|36.858105| |1.582660|1.782365|1.996126|2.330061|2.681764|4.498490|3.327203|4.228670|6.969757|7.846059|5.124292|0.123318|3.849662|6.258374|6.418021|8.963506|6.372519|4.363216|3.628158|3.685665|4.508255|6.517038|12.560541|0.210519|17.574632|0.500000| |1.805755|2.077768|2.364835|2.868862|3.384650|6.154147|5.024411|7.832238|12.365275|17.628059|7.449078|0.171817|5.016685|7.244869|6.641636|7.613293|5.441874|3.942350|3.296964|3.310822|3.950234|5.438067|10.165627|0.177052|12.264413|0.242526|36.858105| |1.756417|2.003308|2.283326|2.726055|3.230538|5.682517|4.838898|7.817090|14.952493|12.770153|5.618664|0.134164|4.316838|6.323579|4.946092|5.829935|4.771298|3.575737|3.127569|3.261768|3.984974|5.243809|10.169015|0.197497|8.909371|0.190107|17.696076|0.500000| |1.688979|1.939212|2.145418|2.578833|2.880557|5.033862|4.182571|5.759560|9.670607|10.344268|5.872928|0.161566|4.049713|6.054986|5.455696|5.376000|4.017634|3.140900|2.680878|2.669592|3.081840|3.942836|6.848770|0.130224|7.310778|0.201537|12.442556|0.249976|36.858105| |1.665898|1.910170|2.089703|2.496080|2.728355|4.657384|4.106022|5.541082|10.296895|8.182027|4.665255|0.134606|3.517727|5.252981|4.066745|3.965032|3.206000|2.626669|2.308970|2.320726|2.646222|3.218506|5.396909|0.107671|4.979757|0.134945|7.684557|0.205225|13.720491|36.858105| |1.554858|1.770429|1.896083|2.228614|2.360062|3.884585|3.330246|4.066657|7.464741|5.853259|3.718170|0.111600|2.933169|4.520014|3.376750|3.213149|2.667184|2.256102|2.006314|2.007096|2.247406|2.655223|4.292780|0.086631|3.818574|0.108574|5.043593|0.134246|7.908000|13.701276|36.858105| |1.478090|1.675194|1.778744|2.074104|2.175256|3.535803|2.896503|3.405513|5.996131|5.131621|3.492339|0.106152|2.751184|4.352402|3.366119|3.141539|2.592414|2.209989|1.956460|1.939473|2.151584|2.538087|4.038273|0.080775|3.641509|0.108704|4.410748|0.111962|6.826477|7.891113|13.665755|36.858105| |1.492238|1.692206|1.810357|2.117655|2.247501|3.687860|2.919813|3.453386|5.866995|5.556169|3.915453|0.117651|2.980259|4.770450|4.032307|3.720906|2.970873|2.491369|2.168559|2.131466|2.370069|2.855243|4.560251|0.089347|4.321643|0.136175|4.953206|0.118115|7.904057|6.862491|7.927937|13.713645|36.858105| |1.590611|1.814335|1.978186|2.345313|2.561102|4.334528|3.405344|4.233090|6.984260|7.438184|5.084754|0.145964|3.605209|5.665630|5.413154|5.072687|3.782789|3.023429|2.568452|2.520643|2.854435|3.597653|5.962938|0.113045|6.295481|0.204174|7.388013|0.158366|13.725128|7.929905|6.856923|7.887188|13.654632|36.858105| |1.399694|1.574220|1.666554|1.921421|2.013916|3.224634|2.484565|2.827701|4.788702|4.479591|3.303633|0.098933|2.621047|4.326557|3.547209|3.261095|2.679647|2.307122|2.023682|1.976570|2.163801|2.553889|3.949903|0.077551|3.604706|0.115233|3.815815|0.092900|5.202353|4.630926|5.303033|8.248567|14.216617|7.885501|73.516695| |1.385732|1.552505|1.647716|1.889331|1.989419|3.162480|2.362284|2.654317|4.423615|4.289037|3.281933|0.096219|2.630572|4.455239|3.768636|3.458991|2.848565|2.470245|2.150896|2.077909|2.253821|2.662643|4.027169|0.077914|3.676130|0.120842|3.609229|0.086725|4.505722|3.790561|3.982472|5.266329|7.992940|6.704126|24.203721|36.858105| |1.385254|1.557832|1.630050|1.872943|1.929155|3.056328|2.474839|2.795279|4.949236|4.090080|2.863729|0.087228|2.354105|3.794082|2.782053|2.594374|2.204094|1.926360|1.727150|1.710017|1.872196|2.157954|3.348885|0.067460|2.907807|0.086411|3.363373|0.087469|4.605363|5.226930|8.009235|14.141522|8.031335|5.226917|12.794507|4.714149|73.516695| |1.263377|1.404919|1.468846|1.663486|1.720717|2.685364|2.158435|2.438249|4.400867|3.532398|2.445340|0.072412|2.055674|3.350883|2.415229|2.323411|2.017508|1.771762|1.611391|1.614285|1.772460|2.013111|3.123617|0.064124|2.629449|0.078979|2.946728|0.078795|3.838015|4.289420|5.969992|8.129494|5.928405|4.268085|10.351605|4.151730|23.991553|36.858105| |1.503938|1.701637|1.801710|2.089220|2.177074|3.488958|3.018838|3.535215|6.706929|4.788039|3.083462|0.092253|2.561187|3.984101|2.776403|2.660511|2.284704|1.977561|1.787887|1.796336|1.992646|2.293683|3.629211|0.074226|3.074746|0.086192|3.898123|0.108698|5.209848|7.910007|14.262695|8.244061|5.309704|4.633180|7.332317|3.220036|12.755548|5.902660|73.516695| |1.550819|1.752618|1.862353|2.152079|2.248541|3.572529|3.188410|3.724137|7.466116|4.730283|2.962912|0.087021|2.537494|3.914281|2.597236|2.527647|2.214609|1.929452|1.762274|1.783293|1.978782|2.250654|3.542718|0.073044|2.907778|0.079100|3.724557|0.109025|4.519531|6.736895|8.009304|5.260512|3.986075|3.795699|5.722577|2.662556|8.349235|4.195386|24.110127|36.858105| |17.540884|8.773540|6.773541|4.495468|3.633750|3.941153|2.680051|2.219720|3.679378|2.791798|2.160630|0.059937|2.551431|4.549264|1.918562|1.804122|1.800326|1.867506|1.788075|1.664842|1.616666|1.679461|2.215729|0.042651|1.676466|0.042949|1.772993|0.048386|1.651471|1.638976|1.526089|1.441148|1.447979|1.544301|2.406084|1.334962|2.399970|1.236798|2.637584|1.543111|0.500000| |17.562017|8.785279|5.459830|4.041402|3.173544|3.598141|2.446998|2.050438|3.377610|2.627920|2.071919|0.058555|2.407176|4.342067|1.860293|1.720302|1.697815|1.760298|1.669502|1.543748|1.500156|1.569570|2.078431|0.039954|1.592614|0.041211|1.680443|0.045370|1.591559|1.577311|1.487334|1.420572|1.429055|1.509250|2.396277|1.332764|2.385321|1.225406|2.571619|1.487923|0.301848|0.500000| |17.541411|8.774698|6.774344|4.497110|3.636209|3.941760|2.571495|2.151811|3.509452|2.782115|2.212146|0.061259|2.649548|4.910237|2.002317|1.864473|1.870470|1.979516|1.888433|1.724355|1.651066|1.715209|2.235521|0.042693|1.699167|0.043662|1.767116|0.047610|1.643927|1.605714|1.495791|1.430309|1.455349|1.557020|2.437650|1.368042|2.380390|1.224643|2.557268|1.474666|0.301584|0.301845|0.500000| |8.860056|17.517624|8.861673|6.873253|4.546824|5.012955|3.236406|2.593922|4.111778|3.356071|2.762815|0.079211|3.353128|6.104373|2.417485|2.157774|2.093486|2.168363|1.994926|1.806440|1.758611|1.882250|2.490058|0.047104|1.951568|0.050036|2.075091|0.054914|1.954260|1.910273|1.781252|1.703631|1.731778|1.851071|2.883132|1.607832|2.823656|1.426196|3.026947|1.732792|0.172937|0.212930|0.210735|0.500000| |8.860699|17.514543|8.858369|6.866760|4.541545|5.011350|3.459230|2.714414|4.390302|3.372837|2.664962|0.076431|3.161732|5.452877|2.275035|2.066282|1.997077|2.024416|1.878372|1.738739|1.717421|1.835550|2.462881|0.047045|1.917566|0.048978|2.084479|0.056104|1.966830|1.966539|1.832663|1.721889|1.719478|1.829935|2.831670|1.555224|2.856264|1.445351|3.161647|1.845967|0.210702|0.212974|0.172952|0.303859|0.500000| |6.881293|8.859051|17.498890|8.847111|6.904712|6.285566|4.063698|3.119856|5.022146|3.802589|2.939223|0.079622|3.714484|6.430297|2.493607|2.342753|2.337797|2.409980|2.269740|2.097731|2.047425|2.158405|2.836519|0.053862|2.150858|0.053744|2.307646|0.062957|2.081014|2.047228|1.851868|1.721467|1.739492|1.899796|2.835983|1.569422|2.805290|1.431361|3.152358|1.855704|0.204092|0.140606|0.169207|0.173781|0.211839|0.500000| |6.881005|8.858818|17.505568|8.857913|6.920976|6.287659|3.714286|2.940280|4.616210|3.778277|3.071953|0.082778|4.035948|7.583442|2.684856|2.478646|2.496712|2.664466|2.484792|2.219838|2.118187|2.235356|2.878088|0.053946|2.199064|0.055149|2.294765|0.061284|2.066027|1.983838|1.798770|1.703158|1.752182|1.923415|2.887647|1.623533|2.774293|1.412705|3.018609|1.740703|0.169201|0.140600|0.204096|0.211886|0.173751|0.303611|0.500000| |4.526032|6.835774|8.834347|17.532994|8.901979|9.500281|5.266219|3.837784|5.667944|4.987042|4.385810|0.125161|6.078312|10.672937|3.539571|3.022200|2.858508|2.913773|2.562113|2.277364|2.239991|2.482064|3.284709|0.060658|2.646040|0.066015|2.866469|0.074016|2.617743|2.498596|2.251762|2.130160|2.198610|2.429066|3.575699|1.993395|3.426563|1.699868|3.719084|2.116444|0.111069|0.108424|0.119484|0.206358|0.170453|0.173422|0.211687|0.500000| |4.534001|6.858668|8.850640|17.507239|8.842830|9.470264|6.428647|4.260243|6.469398|5.036985|4.018154|0.114884|5.110023|7.999288|3.128816|2.781712|2.623312|2.586334|2.325331|2.143557|2.154304|2.375080|3.219715|0.060476|2.560486|0.063583|2.888757|0.076945|2.646553|2.627645|2.357974|2.165711|2.172785|2.380525|3.477715|1.894848|3.484992|1.732373|3.977855|2.333584|0.119590|0.108621|0.111247|0.171165|0.207010|0.211559|0.173661|0.302859|0.500000| |3.649054|4.524318|6.851041|8.808721|17.570136|12.543704|7.199299|4.987519|7.582077|5.735888|4.268773|0.107984|5.905408|9.195259|3.377719|3.244265|3.240671|3.240481|2.973849|2.757240|2.747127|2.977855|3.907973|0.072678|2.954066|0.070737|3.236274|0.088786|2.738886|2.643485|2.281721|2.077365|2.120902|2.404108|3.369659|1.859595|3.284868|1.664113|3.789443|2.241254|0.102689|0.085497|0.097318|0.111881|0.120184|0.206678|0.171257|0.173728|0.210604|0.500000| |3.647938|4.527359|6.842933|8.839078|17.663177|12.580600|5.666590|4.341514|6.367200|5.660448|4.721283|0.116652|7.563901|14.137828|3.913098|3.639663|3.707593|3.950667|3.507958|3.047625|2.920898|3.187307|4.017237|0.072852|3.084247|0.074086|3.203758|0.084297|2.708571|2.514242|2.187553|2.048483|2.147346|2.456186|3.462621|1.954493|3.240165|1.637009|3.567898|2.048891|0.097149|0.085513|0.102704|0.120546|0.111871|0.170313|0.206731|0.213306|0.173538|0.302670|0.500000| |2.743073|3.459406|4.042819|5.803821|6.241909|12.251426|17.501527|8.981096|11.789352|8.916249|6.345643|0.189467|6.570207|8.468124|4.187577|3.661956|3.203541|2.899210|2.523877|2.386751|2.523234|2.936931|4.229354|0.078875|3.555848|0.085952|4.541419|0.119190|4.132835|4.213731|3.531759|3.063793|3.027262|3.428779|4.575890|2.411777|4.691086|2.262232|5.762272|3.413392|0.074384|0.069641|0.071062|0.093663|0.101624|0.107843|0.098449|0.150599|0.192770|0.158786|0.132949|0.500000| |2.809131|3.436980|4.281186|5.742402|7.363298|12.511191|17.667095|9.079481|13.602138|7.927985|5.076861|0.131999|5.812547|7.862355|3.658209|3.501917|3.261382|2.987854|2.685082|2.592194|2.742252|3.105904|4.392919|0.082809|3.440504|0.081388|4.220569|0.119402|3.564281|3.610756|2.993148|2.591253|2.571888|2.935677|3.937863|2.104221|4.005804|1.999265|4.975782|3.043376|0.078785|0.069743|0.073126|0.088682|0.099275|0.123428|0.104614|0.132924|0.179792|0.231905|0.150148|0.302686|0.500000| |2.094563|2.440717|2.791999|3.411277|3.933165|6.728577|4.075596|4.241247|6.084393|7.728548|8.843400|0.200626|7.549718|15.145459|17.698945|8.862451|6.711954|6.148394|4.292898|3.546788|3.582167|4.557267|5.851373|0.098002|5.491060|0.136598|4.863635|0.108817|4.190237|3.336567|2.878607|2.900468|3.405670|4.256860|5.555438|3.385598|4.403054|2.170930|4.330425|2.295689|0.055072|0.053836|0.058681|0.071003|0.064904|0.071089|0.079346|0.104412|0.087346|0.093385|0.115231|0.106172|0.093919|0.500000| |1.861122|2.155719|2.404707|2.921837|3.271717|5.709354|3.922208|4.465909|6.555561|8.754009|8.793450|0.227542|5.605252|9.277881|17.632381|9.001517|5.664177|4.527865|3.461068|3.117558|3.353429|4.397340|6.363696|0.108145|6.961653|0.189385|6.365683|0.130330|6.082924|4.359489|3.719352|3.878137|4.938355|6.863316|7.757213|4.764910|5.616519|2.698735|5.298916|2.701028|0.049386|0.048458|0.051370|0.062211|0.058801|0.062373|0.066488|0.087422|0.078573|0.080832|0.090638|0.105952|0.089972|0.300904|0.500000| |2.039749|2.286441|2.679516|3.044455|3.678765|5.539032|3.289550|3.369559|5.142048|5.470842|4.744785|0.108624|5.239386|11.684094|5.988065|6.579379|8.725266|17.757776|8.996090|5.583136|4.810020|5.492082|5.836843|0.098140|4.427462|0.108764|3.638690|0.090179|3.002495|2.527669|2.200083|2.174888|2.455061|2.941050|4.083492|2.476292|3.394012|1.742268|3.436551|1.877005|0.054330|0.051777|0.058653|0.065091|0.059360|0.069877|0.079804|0.088619|0.075469|0.091531|0.118114|0.081776|0.081989|0.202714|0.130604|0.500000| |1.837698|1.981744|2.307694|2.469855|2.950514|4.136895|2.598995|2.670822|4.323337|4.028159|3.123833|0.074752|3.420477|6.875996|3.517796|4.107954|5.633307|9.042586|17.758164|8.776176|5.580815|4.924090|5.015678|0.089907|3.350320|0.084386|2.810765|0.074415|2.353381|2.062002|1.818396|1.780427|1.958449|2.274828|3.284214|1.964886|2.827178|1.487408|2.910668|1.616895|0.049916|0.046660|0.053372|0.055198|0.051422|0.062311|0.069407|0.069028|0.061963|0.078486|0.094121|0.064475|0.068533|0.105138|0.084148|0.214562|0.500000| |1.605872|1.718686|1.981802|2.117712|2.524211|3.605294|2.412613|2.593006|4.397331|3.826260|2.737926|0.065897|2.837934|5.244831|2.982653|3.695204|4.971826|5.658714|8.808409|17.720412|9.091771|5.708732|5.712761|0.108526|3.395603|0.085908|2.821727|0.078344|2.338041|2.074111|1.817779|1.757491|1.911187|2.217175|3.175857|1.871590|2.785234|1.490358|2.927790|1.643134|0.044385|0.041038|0.045907|0.047134|0.045501|0.054965|0.057917|0.057794|0.054800|0.070111|0.076403|0.059547|0.065123|0.082718|0.073684|0.123922|0.215895|0.500000| |1.527684|1.657259|1.900261|2.084400|2.490677|3.742762|2.643722|3.045426|5.353974|4.545330|3.011985|0.071871|2.916672|5.065112|3.241946|4.305754|5.498341|4.809652|5.516581|8.939165|17.754142|8.758711|9.217560|0.192527|4.532262|0.113112|3.620868|0.105320|2.895606|2.543095|2.175064|2.071007|2.252058|2.669415|3.658478|2.122186|3.222603|1.736781|3.464354|1.948896|0.042389|0.039251|0.042889|0.045300|0.044714|0.053010|0.053991|0.056545|0.055362|0.069902|0.072087|0.064880|0.071099|0.084092|0.081503|0.105136|0.123131|0.216910|0.500000| |1.720237|1.973099|2.175405|2.599112|2.871056|4.895938|4.544102|6.430688|13.536036|8.352247|4.475711|0.125508|3.535464|5.206403|3.742021|3.738929|3.126331|2.582752|2.299986|2.334745|2.670050|3.201314|5.342727|0.108106|4.640727|0.119710|7.250410|0.224581|8.944391|17.794240|8.898726|5.626763|4.952587|5.654335|6.532946|3.135467|7.501695|3.634595|12.607120|7.520365|0.047382|0.045061|0.045844|0.054172|0.056740|0.059934|0.056926|0.070826|0.076849|0.078868|0.072437|0.127456|0.113920|0.086724|0.106172|0.068558|0.057120|0.058235|0.071914|0.500000| |1.577843|1.792809|1.961240|2.311689|2.541537|4.265829|3.208520|3.886196|6.282024|7.020589|5.145973|0.141986|3.672611|5.952643|6.276905|5.931517|4.275281|3.369261|2.810025|2.724493|3.072826|3.940147|6.393652|0.117548|7.019754|0.253807|6.736516|0.142533|8.855350|5.631535|4.950241|5.648379|8.965401|17.795216|12.727637|7.570695|7.536751|3.628316|6.536884|3.136199|0.042407|0.041522|0.043236|0.051060|0.049720|0.052057|0.053601|0.067070|0.064072|0.065733|0.069026|0.088155|0.076949|0.135650|0.241312|0.091173|0.068659|0.065907|0.078532|0.124007|0.500000| |1.309208|1.456917|1.532030|1.737000|1.809063|2.825407|2.102323|2.317712|3.892388|3.651947|2.803919|0.082323|2.323880|3.984488|3.168132|2.926285|2.488154|2.210742|1.952850|1.886728|2.023354|2.338230|3.474492|0.067871|3.055679|0.098015|2.997602|0.073817|3.615190|3.187788|3.417377|4.437366|5.887187|4.896728|17.028015|17.664530|7.672896|3.960586|5.132458|2.409482|0.035008|0.035153|0.035941|0.042006|0.040548|0.040540|0.041997|0.050954|0.048396|0.047104|0.049506|0.059849|0.052594|0.081507|0.107043|0.061897|0.050128|0.047706|0.053256|0.075170|0.147392|0.500000| |1.350560|1.505893|1.610493|1.838204|1.962728|3.117363|2.319220|2.645832|4.445122|4.313651|3.229008|0.091370|2.596586|4.413893|3.806969|3.686500|3.054045|2.607626|2.279768|2.228102|2.446034|2.903782|4.439708|0.086460|4.030108|0.139643|3.759832|0.090858|4.553539|3.723851|3.769474|4.731387|6.970741|6.684203|16.425721|17.551826|7.344396|3.830648|5.425261|2.571000|0.036276|0.035957|0.037159|0.043098|0.041746|0.042826|0.044288|0.053470|0.050926|0.051273|0.053910|0.064637|0.057710|0.094119|0.131455|0.071442|0.057378|0.055569|0.064157|0.086457|0.228280|0.300300|0.500000| |1.480287|1.669753|1.775500|2.053122|2.158024|3.454925|2.536616|2.813186|4.575610|4.633441|3.719258|0.110775|2.941185|5.021920|4.417379|3.827846|3.087168|2.692262|2.299506|2.178066|2.336054|2.787082|4.139845|0.078228|3.865069|0.124105|3.767692|0.088244|4.567105|3.740841|3.796624|4.783561|7.028085|6.691724|16.439275|17.551699|7.471700|3.580110|5.458804|2.586000|0.039390|0.039478|0.040670|0.048368|0.046270|0.046577|0.048719|0.060907|0.056842|0.055317|0.059114|0.072134|0.061955|0.111179|0.163585|0.076282|0.058373|0.054118|0.060206|0.086734|0.224669|0.300357|0.298205|0.500000| |1.216191|1.346942|1.396088|1.569495|1.606536|2.476908|1.978151|2.188638|3.935348|3.137179|2.205849|0.065589|1.888093|3.102831|2.176818|2.080333|1.827444|1.627452|1.487528|1.484816|1.614689|1.814399|2.771653|0.056743|2.305145|0.068589|2.551306|0.068343|3.201872|3.535126|4.679745|5.912723|4.664023|3.524644|8.608555|3.664182|16.896775|17.650679|8.671863|3.684707|0.033045|0.032925|0.032723|0.038056|0.038561|0.037764|0.037288|0.044635|0.045454|0.043161|0.042507|0.057889|0.051213|0.055167|0.067086|0.044708|0.038412|0.038288|0.043963|0.085907|0.085927|0.101112|0.092907|0.089345|0.500000| |1.255006|1.392890|1.460964|1.651145|1.716508|2.675380|2.177674|2.484449|4.584832|3.535780|2.389528|0.069951|2.022078|3.275499|2.326992|2.275804|1.992247|1.744253|1.596987|1.614573|1.784112|2.017183|3.155493|0.065616|2.614436|0.077648|2.971702|0.081573|3.823505|4.482170|6.284430|7.188739|5.152443|4.006894|8.365371|3.549793|16.425129|17.589568|12.153603|4.852129|0.034297|0.033759|0.033728|0.039026|0.039907|0.039808|0.038932|0.046446|0.047947|0.046519|0.045187|0.063084|0.056578|0.057903|0.070987|0.047308|0.040883|0.041510|0.048949|0.108306|0.094006|0.092753|0.094206|0.086982|0.299724|0.500000| |1.227406|1.360662|1.427904|1.612611|1.679845|2.620189|2.076909|2.358339|4.230835|3.479519|2.420768|0.070780|2.028996|3.335562|2.454847|2.389429|2.076111|1.816716|1.653097|1.660387|1.828487|2.078688|3.232455|0.066571|2.720297|0.083691|2.956808|0.078542|3.821553|4.030203|5.191270|7.185441|6.205160|4.445538|11.823418|4.744120|16.428363|17.580668|8.477017|3.592951|0.033351|0.033017|0.033210|0.038424|0.038640|0.038612|0.038395|0.045874|0.046234|0.045053|0.044762|0.059721|0.053342|0.061274|0.076873|0.049461|0.042299|0.042545|0.049813|0.094394|0.107774|0.127001|0.124218|0.108096|0.299698|0.298285|0.500000| |1.696643|1.939102|2.067235|2.422454|2.520300|4.043983|3.745285|4.320726|8.689768|5.245534|3.264676|0.097039|2.812353|4.265426|2.756809|2.641414|2.307269|2.017022|1.832078|1.839157|2.028926|2.316523|3.612562|0.073344|2.984350|0.079320|3.917762|0.113866|4.595782|6.752144|7.053563|4.778738|3.801433|3.752615|5.456105|2.586810|7.438709|3.606020|16.423800|17.575973|0.046903|0.045079|0.044533|0.053063|0.057181|0.057243|0.053108|0.065769|0.074164|0.069824|0.062759|0.114502|0.099188|0.067703|0.078567|0.054779|0.046720|0.046933|0.055059|0.225508|0.086832|0.064785|0.069019|0.071336|0.089624|0.109968|0.087693|0.500000| |1.508859|1.694661|1.818137|2.088369|2.221191|3.524940|3.137675|3.782084|7.926722|4.782549|2.907936|0.082967|2.499543|3.860779|2.575095|2.579884|2.281861|1.971520|1.814165|1.861108|2.090587|2.370722|3.788005|0.079640|3.041916|0.082472|3.895069|0.119477|4.570897|6.717096|6.997975|4.741874|3.782236|3.734805|5.437288|2.574942|7.346370|3.881664|16.416662|17.573159|0.041904|0.040044|0.040017|0.046304|0.049274|0.050682|0.047462|0.056614|0.062320|0.062157|0.056528|0.090223|0.084307|0.062929|0.073642|0.052663|0.046017|0.047683|0.057799|0.226015|0.086555|0.064514|0.070581|0.069049|0.093675|0.127106|0.095796|0.298781|0.500000| 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