Version2.0 2020-02-29T18:10:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 16-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCOC[C@@H](C[NH+](CCOC)Cc1c(nn(c1Oc2ccc(cc2)C)c3ccccc3)CC)O C36313871 RHF 6-31G(d) (6D,7F) CCCCOC[C@@H](C[NH+](CCOC)Cc1c(nn(c1Oc2ccc(cc2)C)c3ccccc3)CC)O C01[X(C29H42N3O4)] 228 C1 624 CCCCOC[C@@H](C[NH+](Cc1c(CC)nn(c1Oc1ccc(cc1)C)c1ccccc1)CCOC)O CCCCOC[C@@H](C[NH+](Cc1c(CC)nn(c1Oc1ccc(cc1)C)c1ccccc1)CCOC)O CCCCOC[C@H](O)C[NH+](CCOC)Cc1c(CC)nn(c2ccccc2)c1Oc3ccc(C)cc3 InChIKey=RBMGTKGRJQMGDA-RUZDIDTESA-O InChI=1S/C29H41N3O4/c1-5-7-18-35-22-25(33)20-31(17-19-34-4)21-27-28(6-2)30-32(24-11-9-8-10-12-24)29(27)36-26-15-13-23(3)14-16-26/h8-16,25,33H,5-7,17-22H2,1-4H3/p+1/t25-/m1/s1 InChI=1/C29H41N3O4/c1-5-7-18-35-22-25(33)20-31(17-19-34-4)21-27-28(6-2)30-32(24-11-9-8-10-12-24)29(27)36-26-15-13-23(3)14-16-26/h8-16,25,33H,5-7,17-22H2,1-4H3/p+1/t25-/m1/s1/fC29H42N3O4/h31H/q+1 CCCCOC[C@@H](C[NH+](CCOC)Cc1c(nn(c1Oc2ccc(cc2)C)c3ccccc3)CC)O C01[X(C29H42N3O4)] 228 C01 624 CCCCOC[C@@H](C[NH+](Cc1c(CC)nn(c1Oc1ccc(cc1)C)c1ccccc1)CCOC)O CCCCOC[C@@H](C[NH](Cc1c(CC)nn(c1Oc1ccc(cc1)C)c1ccccc1)CCOC)O CCCCOC[C@H](O)C[NH](CCOC)Cc1c(CC)nn(c2ccccc2)c1Oc3ccc(C)cc3 InChIKey=XZZQQVVLZQKVNA-RUZDIDTESA-N InChI=1S/C29H42N3O4/c1-5-7-18-35-22-25(33)20-31(17-19-34-4)21-27-28(6-2)30-32(24-11-9-8-10-12-24)29(27)36-26-15-13-23(3)14-16-26/h8-16,25,31,33H,5-7,17-22H2,1-4H3/t25-/m1/s1 InChI=1/C29H42N3O4/c1-5-7-18-35-22-25(33)20-31(17-19-34-4)21-27-28(6-2)30-32(24-11-9-8-10-12-24)29(27)36-26-15-13-23(3)14-16-26/h8-16,25,31,33H,5-7,17-22H2,1-4H3/t25-/m1/s1 4004.2397883655 -1585.1951926 1-A 23274.2950 134 490 624 |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|A|A|A| -20.72270 -20.69363 -20.68164 -20.66444 -15.81332 -15.74560 -15.67399 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14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 18609.7434 29382.4743 33270.8582 0.99956 0.02976 0.00193 -0.02967 0.99888 -0.03685 -0.00303 0.03678 0.99932 1 0.00465 0.00295 0.00260 0.09698 0.06142 0.05424 12.86 16.36 20.46 28.35 41.56 48.92 51.85 53.16 57.86 66.90 70.25 77.86 78.37 90.26 99.09 123.02 146.84 157.66 162.00 178.92 196.03 207.60 221.16 228.57 246.68 269.20 297.79 309.32 334.97 348.89 363.54 371.24 381.80 411.42 420.00 454.85 470.71 485.92 501.97 527.81 544.99 553.99 586.27 593.26 637.53 658.52 661.09 666.70 677.41 694.52 724.30 749.42 778.73 793.46 812.87 845.55 905.58 938.07 956.69 969.19 979.06 1011.92 1049.04 1088.98 1106.69 1116.61 1149.66 1164.82 1205.36 1222.14 1242.16 1253.27 1266.58 1267.77 1303.17 1338.43 1340.22 1351.31 1360.21 1369.50 1397.83 1411.64 1420.16 1474.04 1488.70 1496.47 1504.79 1509.89 1540.22 1564.44 1572.14 1573.29 1583.96 1586.31 1590.89 1605.24 1609.80 1620.92 1631.96 1636.42 1644.57 1648.51 1681.59 1689.70 1693.77 1705.53 1713.66 1715.80 1744.00 1757.03 1776.75 1795.33 1804.11 1812.84 1838.35 1850.18 1862.34 1865.87 1867.47 1869.62 1870.66 1881.01 1907.99 1916.88 1918.59 1926.18 1952.31 1958.74 1975.84 1990.15 1999.46 2009.02 2023.29 2041.99 2045.53 2080.94 2083.23 2087.31 2101.80 2114.12 2126.61 2133.59 2146.86 2199.07 2203.62 2210.04 2228.19 2245.28 2248.71 2249.98 2259.15 2259.47 2265.14 2265.96 2294.86 2306.39 2322.19 2332.96 2340.13 2345.94 2349.96 2351.46 2354.46 2355.64 2357.05 2358.92 2360.77 2361.32 2364.63 2365.34 2366.10 2371.94 2379.49 2381.23 2389.24 2393.48 2410.91 2421.74 2423.90 2431.82 2460.73 2546.38 2570.22 2586.60 2601.11 2618.20 4571.79 4586.52 4597.14 4608.54 4608.95 4609.12 4618.58 4619.38 4620.31 4622.98 4627.46 4630.48 4637.24 4648.11 4663.54 4681.18 4691.31 4699.28 4703.64 4709.84 4712.98 4718.54 4724.14 4724.79 4733.29 4734.77 4742.61 4811.08 4822.29 4824.92 4843.61 4850.53 4851.29 4853.84 4867.05 4881.10 4882.59 4884.76 4902.98 4908.63 5227.70 5859.03 0.730968 0.767411 0.768355 0.653490 -1584.464225 -1584.427782 -1584.426837 -1584.541703 3.852625D-04 MUNgauss RevisionA2.0 retrievium 29-Feb-2020 DUDE CCCCOC[C@@H](C[NH+](CCOC)Cc1c(nn(c1Oc2ccc(cc2)C)c3ccccc3)CC)O C36313871 RHF 6-31G(d) (6D,10F) C1 496.317532 |X|Y|Z| 80.370443 65.356072 111.997446 83.790891 18 6 7 8 15 2 1 |36.858105| |12.467109|36.858105| |7.488862|12.449033|36.858105| |4.888066|7.517489|12.552980|36.858105| |3.868198|5.073784|8.000775|13.500587|73.516695| |3.076858|3.891732|5.191761|8.050849|24.387486|36.858105| |2.643074|3.137858|4.076397|5.230288|14.614359|12.523985|36.858105| |2.642792|3.083293|4.021787|4.892091|13.293787|8.987170|17.537502|0.500000| |2.212283|2.579658|3.139376|3.908533|9.179416|7.553707|12.502887|0.244221|36.858105| |1.975594|2.232790|2.673875|3.126368|7.070859|4.967943|7.661990|0.186641|12.711039|53.358707| |2.048037|2.299124|2.784421|3.198045|7.332920|4.902771|7.701196|0.184393|9.394505|25.573830|0.500000| |1.881423|2.093736|2.491007|2.830143|6.296155|4.171661|6.042149|0.178988|7.678628|17.330398|0.260425|36.858105| |1.735514|1.889443|2.220380|2.432385|5.265454|3.284539|4.431736|0.130567|5.002361|10.363572|0.207111|12.518529|36.858105| |1.839241|1.990945|2.367093|2.555328|5.597405|3.385127|4.626557|0.133310|4.796720|9.550498|0.238387|8.150784|13.723997|73.516695| |1.704995|1.810458|2.116816|2.223615|4.717221|2.759815|3.515883|0.101383|3.550027|6.342724|0.150184|5.221248|8.073489|24.061768|36.858105| |1.749782|1.961282|2.276336|2.630811|5.615660|3.854484|5.015191|0.123076|7.611122|17.071359|0.255576|7.623291|6.097205|9.707512|4.086584|36.858105| |1.757823|1.973982|2.270531|2.625184|5.486320|3.721773|4.521170|0.106231|6.175315|10.309844|0.200849|4.986630|4.393504|7.837007|3.551261|12.806142|36.858105| |1.712441|1.896123|2.167920|2.439783|5.026231|3.236441|3.837521|0.092116|4.595330|7.550188|0.168415|4.068644|3.941577|7.580270|3.644697|7.247976|13.381162|36.858105| |1.693806|1.877303|2.113501|2.375905|4.757836|3.030635|3.383531|0.080949|3.900131|5.787804|0.125926|3.264275|3.122023|5.950792|2.963405|5.173959|8.507585|14.696177|53.358707| |1.721241|1.934454|2.163971|2.489401|4.930074|3.239413|3.494263|0.082311|4.177733|5.771872|0.118570|3.220875|2.939603|5.396833|2.640901|5.234438|8.691393|8.970329|19.240113|53.358707| |1.761141|1.997055|2.261219|2.653311|5.376138|3.692501|4.113028|0.095472|5.436042|7.455173|0.143163|3.926719|3.408051|6.038623|2.843730|7.423970|13.873063|8.675139|11.755624|19.455286|36.858105| |1.775680|2.037062|2.283865|2.734664|5.438368|3.843365|4.045848|0.094415|5.440404|6.652615|0.121484|3.687726|3.087162|5.307302|2.508447|6.065758|7.762618|5.419379|7.469843|11.120973|14.257859|73.516695| |1.612370|1.831581|2.025854|2.388109|4.680515|3.233841|3.402908|0.083247|4.512367|5.762296|0.102614|3.457098|2.922225|4.847540|2.325524|5.388274|5.906383|4.339841|5.820611|7.704306|8.029351|24.445875|36.858105| |1.623365|1.855779|2.031751|2.415299|4.645727|3.221053|3.248576|0.080923|4.171625|5.036139|0.089454|3.177000|2.649904|4.357448|2.103153|4.272607|4.328719|3.370904|4.526348|5.667652|5.326381|14.451356|13.753831|36.858105| |1.475159|1.666238|1.802977|2.100676|3.994457|2.684668|2.719641|0.069930|3.365650|4.236296|0.075928|2.821274|2.413081|3.917245|1.924879|3.565316|3.491050|2.838582|3.792755|4.530749|4.015711|9.364113|7.984444|13.807359|36.858105| |1.353244|1.509570|1.631799|1.867577|3.565715|2.348951|2.438154|0.063362|2.993287|3.976617|0.071896|2.694950|2.378066|3.835604|1.910293|3.467127|3.387664|2.809913|3.734817|4.357620|3.778145|8.122415|6.836102|7.868361|13.654789|36.858105| |1.350111|1.500485|1.633416|1.860999|3.593699|2.363316|2.511263|0.064678|3.126675|4.323760|0.078507|2.867987|2.574353|4.166815|2.075940|4.007333|4.023872|3.314979|4.387043|5.133037|4.489555|9.195661|7.987647|6.901909|8.007986|13.758652|36.858105| |1.460405|1.633638|1.797001|2.068068|4.044289|2.703330|2.909388|0.073057|3.740711|5.191683|0.093909|3.246171|2.871609|4.716104|2.308521|5.122099|5.529554|4.290383|5.686744|7.048021|6.659196|13.902692|13.821296|7.927477|6.885638|7.854003|13.691376|36.858105| |1.239213|1.370086|1.466810|1.655649|3.128184|2.018216|2.082439|0.055109|2.473021|3.315088|0.060811|2.323564|2.096124|3.379252|1.712811|2.797464|2.702300|2.326915|3.096263|3.496922|2.915952|5.962615|4.432709|5.009524|7.543851|12.607635|7.531593|4.991056|36.858105| |1.687866|1.896295|2.076014|2.375397|4.540605|2.922065|2.984974|0.071297|3.398524|4.489029|0.092025|2.636126|2.419080|4.432602|2.221101|3.813102|5.304262|5.483919|10.790983|18.151447|7.638147|11.527196|4.898834|3.878608|3.156553|3.006198|3.430378|4.443068|2.455120|36.858105| |1.763077|1.972608|2.143477|2.418319|4.546309|2.834153|2.835110|0.067954|3.057400|4.005589|0.084449|2.392827|2.225184|4.168603|2.120319|3.219051|4.246484|4.658609|8.940084|10.722396|5.334330|8.314004|3.687286|3.126565|2.617216|2.482037|2.747539|3.365856|2.093069|13.747174|36.858105| |1.689068|1.878476|1.994397|2.223121|4.063595|2.486886|2.426872|0.059245|2.569720|3.334145|0.069628|2.055299|1.919829|3.567465|1.839560|2.637028|3.279108|3.491936|6.119334|7.033741|3.983527|6.698974|3.162199|2.802676|2.408216|2.284282|2.475718|2.916919|1.964837|7.971558|13.772655|36.858105| |1.566026|1.740395|1.829234|2.043968|3.708806|2.287395|2.221438|0.054808|2.388521|3.089059|0.063256|1.932224|1.797807|3.281370|1.693702|2.474241|3.006261|3.083999|5.198117|6.188529|3.702540|6.568479|3.249214|2.928364|2.552877|2.428228|2.611124|3.023071|2.095084|6.898254|7.929883|13.739791|36.858105| |1.513136|1.687872|1.787565|2.018716|3.707786|2.334152|2.292977|0.056555|2.542711|3.297892|0.066319|2.055205|1.896991|3.408478|1.745222|2.717645|3.322997|3.295067|5.504441|6.999527|4.269455|7.849154|3.988365|3.516523|3.043780|2.910541|3.174200|3.731194|2.457106|7.971795|6.868813|7.945177|13.761389|36.858105| |1.563573|1.752577|1.889729|2.157919|4.057200|2.609803|2.624472|0.063912|3.009200|3.941318|0.078688|2.391955|2.189649|3.919971|1.979131|3.369649|4.344500|4.221525|7.296794|10.612996|6.089702|10.898639|5.246479|4.232151|3.505299|3.362029|3.827543|4.859423|2.726494|13.769064|7.907891|6.868355|7.929170|13.749355|36.858105| |1.645436|1.790155|2.047862|2.240481|4.618148|2.858311|3.437877|0.086108|3.868619|6.674573|0.158009|3.947155|4.226457|8.686993|4.446942|5.768691|7.216951|12.669347|10.658439|7.281016|5.186272|6.817582|3.310963|2.718359|2.382177|2.393570|2.776681|3.369456|2.049759|3.954693|3.640191|2.896815|2.570536|2.677363|3.232277|36.858105| |1.456478|1.570240|1.768065|1.916726|3.876501|2.384847|2.802807|0.072319|3.178449|5.411186|0.118961|3.475485|3.869802|7.423848|4.059027|4.883534|5.525789|7.537805|7.834713|5.943945|4.279883|5.944906|3.077772|2.539918|2.297278|2.383262|2.815445|3.317950|2.073160|3.418563|3.095894|2.564522|2.349834|2.484386|2.960948|12.419359|36.858105| |2.640352|3.057949|3.978480|4.735310|12.477515|7.927200|13.630869|0.258979|8.191506|9.694539|0.249836|5.383378|4.456619|9.248550|3.972276|4.911175|4.769409|4.383883|5.200117|5.085547|4.180486|6.789195|3.142123|2.891081|2.440074|2.240868|2.360618|2.763316|1.923622|3.144920|3.071265|2.578735|2.297240|2.329551|2.670155|4.048240|3.127522|73.516695| |17.565479|8.788128|5.464587|4.057176|5.793637|2.703712|2.336353|0.064631|2.002266|2.445302|0.051424|1.713445|1.585992|2.967661|1.555774|1.612727|1.625634|1.585471|2.148379|2.191328|1.640188|2.954193|1.519485|1.536920|1.405261|1.290526|1.283121|1.380430|1.187902|1.593575|1.667064|1.615169|1.507820|1.453206|1.488709|1.521160|1.357439|4.129807|0.500000| |17.544728|8.776107|6.787238|4.516566|6.661411|2.979995|2.610833|0.074172|2.178399|2.666667|0.056304|1.895837|1.754670|3.296481|1.724553|1.723797|1.710284|1.660822|2.214980|2.242050|1.697423|3.039344|1.563777|1.576661|1.440838|1.325715|1.321067|1.422822|1.218586|1.601515|1.657567|1.580342|1.471486|1.432378|1.487294|1.607774|1.430022|4.596151|0.301810|0.500000| |17.544116|8.775717|6.785668|4.516764|6.658111|2.980369|2.615634|0.072101|2.187347|2.691646|0.057601|1.872656|1.745453|3.329272|1.748161|1.754932|1.776780|1.752339|2.365344|2.380545|1.772832|3.140947|1.595034|1.589419|1.441138|1.329429|1.335919|1.451161|1.215252|1.714865|1.808665|1.730252|1.589411|1.525227|1.576034|1.695774|1.494408|4.783231|0.301816|0.301576|0.500000| |8.865222|17.515115|8.847776|6.899129|8.360159|3.774517|3.014977|0.083206|2.520709|2.947746|0.061047|2.050745|1.836692|3.389569|1.729408|1.909488|1.904428|1.808648|2.432046|2.528383|1.935165|3.557282|1.819898|1.869484|1.688800|1.521731|1.498575|1.619422|1.386990|1.823290|1.874969|1.792788|1.682154|1.644978|1.705319|1.700044|1.504212|5.055105|0.213183|0.210861|0.173015|0.500000| |8.864679|17.514509|8.846179|6.901077|8.354761|3.775650|3.022575|0.080340|2.534674|2.981521|0.062702|2.021817|1.826298|3.425168|1.753127|1.951856|1.996936|1.927862|2.633914|2.730724|2.048422|3.722195|1.869403|1.890776|1.689339|1.527365|1.520252|1.661328|1.382157|1.994782|2.100789|2.019402|1.863794|1.789087|1.841998|1.804371|1.579175|5.305759|0.213157|0.173014|0.210857|0.303783|0.500000| |6.854549|8.826703|17.529844|8.941411|13.011764|4.864402|4.048479|0.109063|3.107916|3.685722|0.080092|2.495117|2.260864|4.378601|2.218984|2.308004|2.331777|2.268865|3.017715|3.043583|2.304508|4.057723|2.005030|1.978656|1.751315|1.598602|1.617026|1.790543|1.433875|2.140171|2.240170|2.072817|1.874475|1.815646|1.922096|2.163950|1.849086|7.530050|0.140216|0.168729|0.203253|0.173373|0.211191|0.500000| |6.848966|8.822716|17.536432|8.945066|13.042610|4.864950|4.032066|0.116646|3.083391|3.623420|0.076739|2.550892|2.281166|4.305566|2.171636|2.239294|2.188343|2.081189|2.724396|2.770729|2.146921|3.847373|1.944711|1.954789|1.751156|1.592496|1.591315|1.738703|1.439585|1.932364|1.971991|1.829761|1.689975|1.665607|1.768382|1.990472|1.731835|6.861738|0.140148|0.203102|0.168555|0.211200|0.173327|0.303173|0.500000| |4.525714|6.833369|8.828055|17.513789|16.548968|7.245183|4.756421|0.127839|3.739537|4.037712|0.082113|2.741314|2.332954|4.255506|2.085235|2.521546|2.478307|2.269237|3.003394|3.183908|2.523197|4.729882|2.371917|2.455827|2.154259|1.897027|1.863501|2.046723|1.690709|2.242216|2.249309|2.087792|1.954141|1.950133|2.076525|2.077408|1.805337|7.223394|0.108397|0.119509|0.111115|0.205824|0.170264|0.173948|0.212712|0.500000| |4.522597|6.822480|8.822968|17.511955|16.537075|7.262226|4.792692|0.118172|3.789304|4.130113|0.086403|2.674828|2.313295|4.330840|2.129201|2.624285|2.697113|2.523473|3.417352|3.625913|2.795250|5.145710|2.486464|2.505459|2.155585|1.908351|1.906488|2.134761|1.682086|2.591541|2.680121|2.477574|2.260040|2.206993|2.342140|2.280606|1.941860|8.037243|0.108305|0.111051|0.119490|0.169864|0.205502|0.212785|0.173946|0.301062|0.500000| |2.939796|3.719718|4.702758|7.116915|16.496903|17.494026|8.815529|0.215988|6.787310|6.133942|0.117508|3.995964|3.103804|5.472969|2.535714|3.605304|3.388300|2.900147|3.708511|4.022462|3.410775|6.577939|3.240576|3.366706|2.833901|2.436054|2.396343|2.690410|2.103274|2.700829|2.581031|2.305149|2.167430|2.237873|2.483916|2.566936|2.201102|10.131226|0.072834|0.080002|0.077295|0.105011|0.099151|0.116523|0.126474|0.213854|0.174174|0.500000| |2.955149|3.747494|4.736441|7.213613|16.542713|17.505216|8.852251|0.174730|6.963011|6.385219|0.129495|3.756819|3.030735|5.585893|2.597229|3.885160|3.986647|3.471653|4.564182|5.024579|4.162988|7.815600|3.535291|3.486049|2.828765|2.452134|2.479959|2.886531|2.081119|3.381423|3.300617|2.869253|2.612805|2.653715|2.977892|2.963208|2.448692|12.641892|0.073211|0.077644|0.080351|0.099931|0.105875|0.127034|0.117169|0.176491|0.217997|0.299642|0.500000| |2.118639|2.468594|2.946400|3.661564|8.216733|6.610181|8.737460|0.213349|17.610571|12.335601|0.183040|7.380551|4.673242|7.442174|3.198322|6.563066|5.115142|3.846938|4.555731|4.968047|4.730697|9.099792|4.618628|4.548742|3.718761|3.235713|3.275699|3.797627|2.673802|3.066881|2.737118|2.357118|2.240948|2.412764|2.822967|3.300893|2.847652|10.308007|0.053671|0.058353|0.057467|0.068359|0.066961|0.079102|0.081471|0.101785|0.097364|0.192946|0.164694|0.500000| |2.179014|2.556886|3.055267|3.847956|8.606860|7.092777|8.914006|0.173936|17.695462|12.435456|0.213820|5.660967|4.161419|7.298926|3.181620|7.555993|7.361711|5.200456|6.219466|7.088153|7.193216|13.139212|5.428922|4.818371|3.673348|3.212567|3.394722|4.237448|2.590768|4.144810|3.637548|2.983773|2.757148|2.961452|3.592748|4.046946|3.273126|12.846984|0.055169|0.058765|0.060070|0.069130|0.071270|0.084612|0.081118|0.101414|0.108711|0.173386|0.215928|0.300901|0.500000| |2.042160|2.280075|2.761580|3.135291|7.166100|4.665583|7.008924|0.241707|7.498532|12.429300|0.217981|17.670416|8.943767|12.742527|4.850339|5.604545|4.148320|3.511647|3.979768|3.952264|3.451785|5.906075|3.089437|2.930401|2.611104|2.453690|2.552007|2.847914|2.143920|2.441224|2.259590|1.962789|1.841395|1.937128|2.219536|3.420678|2.990542|10.354107|0.051236|0.057663|0.056177|0.062153|0.060319|0.076187|0.080016|0.084588|0.080162|0.124920|0.110629|0.204919|0.147793|0.500000| |1.766215|1.966634|2.298001|2.621664|5.657535|3.787462|5.039097|0.147417|6.721949|12.343571|0.182001|17.608830|8.781342|10.307032|4.235945|7.225866|4.657232|3.702454|4.140693|4.196518|3.816608|6.634404|3.678860|3.446703|3.121786|2.995063|3.152127|3.488263|2.581206|2.553624|2.284835|1.982684|1.893673|2.039734|2.373064|3.504491|3.223339|7.690673|0.045055|0.049442|0.048483|0.054130|0.052891|0.063122|0.065282|0.072034|0.069210|0.105356|0.096128|0.208494|0.145192|0.301096|0.500000| |1.691936|1.825680|2.133242|2.303215|4.922243|3.000403|3.900564|0.119954|4.190855|7.603689|0.150832|8.974040|17.527562|16.478263|7.265020|4.622225|3.529648|3.218599|3.607196|3.433887|2.876875|4.757557|2.578371|2.397385|2.225133|2.195791|2.336156|2.539964|1.973560|2.131195|1.979311|1.734780|1.635207|1.718989|1.955747|3.441585|3.247145|6.806037|0.043012|0.047947|0.047097|0.049562|0.048634|0.059938|0.061716|0.061967|0.060208|0.080284|0.075963|0.113618|0.097542|0.223885|0.207896|0.500000| |1.596793|1.733119|2.004866|2.194534|4.642593|2.908712|3.755766|0.106549|4.403647|8.947039|0.173840|8.742127|17.532012|16.542095|7.104777|6.427606|4.581017|4.136318|4.398551|4.107167|3.495696|5.555017|3.022076|2.691285|2.479354|2.501655|2.765278|3.074585|2.206016|2.462940|2.235457|1.926834|1.816018|1.933284|2.245972|4.518388|4.419294|6.754273|0.040845|0.044636|0.044650|0.046894|0.046913|0.056715|0.056693|0.058717|0.058793|0.076982|0.076523|0.116088|0.107182|0.173905|0.214373|0.302323|0.500000| |1.676954|1.766725|2.057906|2.137436|4.498331|2.595776|3.246904|0.096683|3.217914|5.492666|0.124158|4.789608|7.175160|16.458746|17.561451|3.509768|3.032047|3.043824|3.468925|3.160483|2.503777|4.024389|2.128175|1.959284|1.813672|1.798196|1.929018|2.109621|1.631266|1.989932|1.905906|1.676268|1.555295|1.601201|1.797408|3.553272|3.336526|6.292863|0.042534|0.047544|0.047588|0.047102|0.047147|0.059502|0.059419|0.056151|0.056268|0.067249|0.067004|0.082798|0.079390|0.129892|0.111327|0.215691|0.170751|0.500000| |1.568018|1.663628|1.917737|2.022220|4.217502|2.496157|3.105848|0.087759|3.255611|5.836176|0.133220|4.694573|7.188796|16.428290|17.549744|4.079824|3.575978|3.738767|4.109226|3.620070|2.845222|4.421461|2.335898|2.091070|1.929582|1.944249|2.139423|2.370793|1.748277|2.228586|2.108909|1.830168|1.693744|1.755364|1.996893|4.745490|4.676370|6.128058|0.040048|0.043874|0.044605|0.044312|0.045062|0.055624|0.054236|0.053023|0.054371|0.064349|0.066351|0.082542|0.082969|0.115940|0.111349|0.177383|0.210612|0.298949|0.500000| |1.769635|1.867096|2.188845|2.269269|4.800319|2.748886|3.448182|0.097868|3.359378|5.744913|0.141076|4.389297|5.854586|16.857728|17.658889|3.707545|3.406039|3.635705|4.096151|3.590044|2.771335|4.313941|2.215930|2.003150|1.823130|1.800123|1.953486|2.183562|1.613746|2.236704|2.174344|1.885142|1.716660|1.748373|1.971145|4.543584|3.984624|7.262065|0.044715|0.049574|0.050904|0.049051|0.050331|0.064737|0.062079|0.058346|0.060605|0.069071|0.072418|0.082691|0.085317|0.117159|0.100050|0.147075|0.145883|0.299634|0.299459|0.500000| |1.635865|1.807559|2.083481|2.351104|4.959985|3.266246|4.182694|0.107950|5.616275|12.398155|0.216772|7.430988|7.183121|10.890788|4.671249|17.672851|8.972201|6.709934|6.420125|6.083692|5.671010|8.317131|4.411517|3.598788|3.161409|3.192782|3.731670|4.535969|2.656574|3.360878|2.893509|2.406369|2.264351|2.470435|3.008303|6.231531|5.747427|7.527740|0.041983|0.045001|0.045735|0.048840|0.049777|0.058961|0.057431|0.062641|0.064716|0.085419|0.090091|0.141144|0.148797|0.147063|0.195912|0.145179|0.243492|0.109197|0.136062|0.113353|0.500000| |1.694589|1.906749|2.188865|2.550526|5.348589|3.725353|4.610389|0.115459|7.179954|12.394768|0.181217|6.862027|5.219980|7.877493|3.459858|17.628139|8.895073|5.492179|5.960087|6.462073|6.900666|11.724049|6.567987|5.217447|4.331103|4.184786|4.817830|6.158656|3.268299|3.632355|3.019197|2.529261|2.432282|2.722167|3.365632|4.437710|4.028348|7.477973|0.043622|0.046431|0.046807|0.052165|0.052698|0.060730|0.059933|0.069302|0.070618|0.100982|0.104179|0.199662|0.199387|0.145323|0.212632|0.117485|0.153517|0.085820|0.096236|0.087022|0.302584|0.500000| |1.754643|2.033996|2.225535|2.701478|5.142977|3.638322|3.507502|0.086398|4.411009|4.994055|0.089409|3.133333|2.576581|4.289344|2.062295|3.978428|4.040869|3.197019|4.325431|5.394256|4.954750|13.389558|8.946867|17.733191|8.885144|5.604862|4.968447|5.654599|4.080650|3.777929|3.143208|2.840963|2.942822|3.442159|4.022598|2.594939|2.375263|5.419890|0.046113|0.047148|0.047436|0.057243|0.057761|0.059612|0.059061|0.077151|0.078448|0.107944|0.111331|0.134964|0.143751|0.082416|0.092909|0.065107|0.071154|0.053581|0.056232|0.054956|0.092258|0.129994|0.500000| |1.464176|1.654828|1.774515|2.064444|3.871203|2.577717|2.557033|0.066578|3.071177|3.805443|0.068782|2.590968|2.220644|3.612821|1.786719|3.074684|2.981491|2.481040|3.323435|3.897295|3.360415|7.587447|5.675301|8.982220|17.706827|8.897576|5.673483|4.957841|7.004359|2.765640|2.361165|2.210624|2.347623|2.742261|3.047872|2.123634|2.044645|4.042438|0.038908|0.039784|0.039498|0.046997|0.046533|0.047481|0.047988|0.059590|0.058645|0.076965|0.074812|0.095434|0.091367|0.067954|0.079529|0.057706|0.062697|0.047206|0.049472|0.047116|0.076610|0.101316|0.215247|0.500000| |1.264498|1.393396|1.511960|1.701246|3.278238|2.120549|2.267142|0.059008|2.763545|3.922780|0.072341|2.657586|2.459035|3.983820|2.018937|3.619643|3.626438|3.115496|4.116733|4.638272|3.885992|7.435697|5.683281|4.967088|5.669703|8.931673|17.716440|8.960843|6.968301|3.115712|2.540686|2.307817|2.431863|2.920413|3.450447|2.688986|2.820335|3.845389|0.033441|0.034442|0.034853|0.038581|0.039159|0.041743|0.041052|0.047174|0.048263|0.059376|0.061356|0.079535|0.081937|0.065607|0.080724|0.062414|0.074475|0.052219|0.058502|0.052693|0.097702|0.116559|0.107790|0.124328|0.500000| |1.435795|1.595612|1.759918|2.004614|3.940375|2.597901|2.844636|0.071347|3.607258|5.249110|0.097329|3.245541|2.965949|4.942723|2.441012|5.414329|6.296498|5.069122|6.710660|8.092269|7.288912|12.488494|8.895336|5.633195|4.960195|5.617287|8.900164|17.736187|4.080060|4.831620|3.594518|3.047421|3.105870|3.804510|5.093823|3.903889|3.946901|4.955870|0.037643|0.038843|0.039891|0.043613|0.045103|0.049195|0.047287|0.054480|0.057518|0.070441|0.077017|0.098162|0.113051|0.078165|0.094637|0.072000|0.089839|0.061187|0.070614|0.064319|0.138257|0.167237|0.124187|0.107634|0.216834|0.500000| |1.210844|1.337891|1.420243|1.599467|2.987368|1.913913|1.943953|0.051348|2.268766|3.002696|0.055724|2.093131|1.895761|3.097208|1.579115|2.493078|2.458150|2.151192|2.909733|3.297968|2.691273|5.520467|3.978497|4.577216|6.651896|8.847771|5.921326|4.305081|17.553123|2.374828|2.043205|1.949237|2.107981|2.476414|2.681614|1.897318|1.908770|3.205355|0.032382|0.032988|0.032950|0.037697|0.037642|0.038516|0.038583|0.045472|0.045377|0.055443|0.055160|0.067595|0.066463|0.054268|0.063651|0.049733|0.054966|0.041841|0.044623|0.041644|0.065538|0.079211|0.107532|0.187423|0.153667|0.099963|0.500000| |1.178207|1.294220|1.386096|1.551072|2.938378|1.878487|1.959221|0.052047|2.313269|3.173867|0.058667|2.241659|2.063505|3.325549|1.702511|2.707082|2.618356|2.291183|3.040314|3.376503|2.776241|5.480795|3.965764|4.164150|5.565713|8.839517|7.221097|4.729986|17.589015|2.358901|2.016662|1.892012|2.011689|2.349937|2.606711|2.044522|2.108616|3.259167|0.031374|0.032227|0.032211|0.036256|0.036235|0.037831|0.037863|0.043736|0.043705|0.053856|0.053643|0.068584|0.066930|0.057080|0.068930|0.054053|0.061078|0.045030|0.048718|0.044473|0.072981|0.086634|0.095728|0.140458|0.221048|0.112820|0.302059|0.500000| |1.243025|1.373813|1.471388|1.659712|3.137415|2.021883|2.086299|0.055842|2.466693|3.291348|0.060023|2.356371|2.113013|3.371618|1.706470|2.717683|2.557446|2.196134|2.887559|3.223799|2.705298|5.506497|3.969811|4.607005|6.760826|8.837549|5.826915|4.262220|17.554444|2.245953|1.941818|1.821305|1.920599|2.212491|2.441819|1.956810|1.970621|3.387011|0.033090|0.034094|0.033738|0.038813|0.038295|0.039753|0.040344|0.047410|0.046471|0.059178|0.057223|0.075377|0.070526|0.060822|0.073670|0.055851|0.061410|0.045499|0.048170|0.044455|0.071902|0.088660|0.108392|0.193504|0.150005|0.098738|0.302288|0.301873|0.500000| |1.860171|2.074519|2.279866|2.550259|4.846626|2.974779|3.012601|0.071819|3.167562|4.195315|0.090976|2.487915|2.334954|4.474057|2.280457|3.289361|4.347103|5.043076|9.717341|9.901804|5.087002|7.598841|3.356211|2.866268|2.412799|2.291696|2.529935|3.077083|1.948573|8.935215|17.756270|8.891241|5.636378|4.952981|5.643081|4.027034|3.281534|6.028341|0.048521|0.048504|0.053512|0.054136|0.061324|0.067252|0.058080|0.064767|0.078491|0.073641|0.095978|0.077109|0.103602|0.065562|0.064835|0.057441|0.064620|0.056503|0.062580|0.065901|0.082585|0.083417|0.080543|0.060847|0.065414|0.091798|0.052489|0.052332|0.050746|0.500000| |1.716243|1.894197|1.992372|2.186751|3.948622|2.363696|2.289395|0.056316|2.365106|3.071289|0.064774|1.917025|1.804973|3.382966|1.761358|2.378590|2.888562|3.110781|5.279654|5.704335|3.364044|5.654842|2.710521|2.450753|2.135869|2.028287|2.175370|2.515403|1.771279|5.664653|8.946747|17.728461|8.908019|5.648391|4.950482|2.677460|2.370521|4.367010|0.045745|0.044364|0.049175|0.049879|0.056976|0.057970|0.050537|0.056691|0.067975|0.060634|0.075222|0.060247|0.074972|0.051326|0.051096|0.045602|0.050037|0.044762|0.048482|0.050552|0.060892|0.063056|0.069555|0.055143|0.056782|0.072745|0.048893|0.047500|0.045992|0.214680|0.500000| |1.505389|1.662457|1.724453|1.907097|3.415470|2.079173|2.003147|0.049959|2.126289|2.748192|0.056258|1.747535|1.633728|2.977404|1.549075|2.174350|2.571416|2.630955|4.295522|4.925366|3.071113|5.516017|2.809013|2.603747|2.321988|2.214559|2.343797|2.638447|1.948885|4.965945|5.644152|8.910733|17.728180|8.919144|5.643310|2.254766|2.086887|3.665195|0.040552|0.039234|0.042411|0.044751|0.049609|0.048967|0.044276|0.050903|0.058504|0.055142|0.065319|0.055933|0.067082|0.046571|0.047703|0.041631|0.045764|0.039790|0.043004|0.043651|0.055797|0.059674|0.073068|0.060250|0.061178|0.074589|0.055010|0.052061|0.049824|0.123964|0.214701|0.500000| |1.424082|1.582795|1.663138|1.870433|3.413246|2.142007|2.098210|0.052362|2.327696|3.021348|0.060211|1.916919|1.771707|3.151287|1.620968|2.486268|2.942802|2.872222|4.610539|5.673415|3.679993|6.981545|3.777384|3.451002|3.092274|2.985244|3.199968|3.609457|2.559293|5.666175|4.950761|5.647201|8.913549|17.728959|8.941300|2.386692|2.261452|3.739363|0.038178|0.037559|0.039694|0.043157|0.046464|0.046602|0.043269|0.050724|0.056404|0.057867|0.066788|0.062419|0.074149|0.050279|0.053400|0.044949|0.050305|0.041606|0.045400|0.044874|0.063342|0.070319|0.092937|0.078124|0.082312|0.100019|0.073010|0.067926|0.063394|0.107541|0.124116|0.214810|0.500000| |1.500007|1.679389|1.814809|2.076171|3.930885|2.554210|2.601735|0.063880|3.064050|4.054393|0.079209|2.479491|2.258825|3.967050|1.994913|3.578026|4.517684|4.172520|6.771058|9.690992|6.382889|12.175950|6.544866|5.000061|4.152885|4.075564|4.820828|6.357571|3.194318|8.903629|5.632388|4.952780|5.646442|8.920513|17.754273|3.196268|3.009231|4.616885|0.039669|0.039891|0.041793|0.045708|0.048614|0.050906|0.047601|0.056069|0.061780|0.068530|0.079679|0.081407|0.100847|0.063215|0.069504|0.056028|0.065060|0.050446|0.056271|0.054520|0.088761|0.102375|0.124569|0.096957|0.118231|0.182615|0.086674|0.084705|0.077719|0.124164|0.107537|0.124202|0.215827|0.500000| |1.662836|1.796947|2.046063|2.209048|4.498113|2.719013|3.181352|0.079749|3.414641|5.538889|0.132155|3.356618|3.568754|7.491889|4.011202|4.469586|5.550774|9.053660|10.174887|6.748375|4.477460|6.076004|2.934119|2.457862|2.162643|2.159518|2.468025|2.948048|1.869924|3.889141|3.784874|3.016045|2.614102|2.650742|3.128935|17.593852|8.849187|6.820038|0.042730|0.044927|0.048012|0.047032|0.050582|0.060784|0.054891|0.056382|0.062933|0.067314|0.078936|0.081245|0.099915|0.083871|0.083028|0.083555|0.102806|0.090757|0.116332|0.119874|0.128726|0.100541|0.066037|0.054126|0.066532|0.093372|0.048626|0.051743|0.049580|0.120911|0.078828|0.063912|0.065173|0.083632|0.500000| |1.721985|1.871858|2.171772|2.368801|4.988524|3.071778|3.855518|0.097921|4.268409|7.876301|0.201460|4.704143|5.295382|11.900576|5.869184|6.200921|6.681836|8.925710|7.978969|6.137515|4.674817|6.432039|3.146364|2.644972|2.324124|2.313039|2.633520|3.141443|1.992830|3.436598|3.205115|2.605109|2.327475|2.414273|2.868477|17.541509|8.818919|8.289153|0.043920|0.047045|0.049289|0.049309|0.051893|0.063866|0.059225|0.060798|0.065954|0.076044|0.086258|0.099507|0.118275|0.112096|0.110601|0.115202|0.153224|0.122457|0.170059|0.166567|0.192454|0.127942|0.070890|0.058050|0.070440|0.097813|0.051070|0.054968|0.053513|0.098462|0.067649|0.057321|0.060391|0.079238|0.303708|0.500000| |1.426072|1.542286|1.736606|1.895058|3.843578|2.394377|2.837408|0.073872|3.316388|5.804141|0.122112|3.816501|4.288993|7.716962|4.116444|5.571659|5.792360|6.776260|6.907823|5.694009|4.369262|6.188485|3.310712|2.715058|2.479472|2.611643|3.132913|3.672798|2.264321|3.261893|2.878192|2.410147|2.253090|2.425684|2.908187|8.718989|17.531720|5.453522|0.036950|0.039042|0.040377|0.041327|0.042910|0.049959|0.047512|0.050059|0.053007|0.062196|0.067712|0.084080|0.093631|0.088629|0.100658|0.098923|0.144264|0.095135|0.134308|0.106771|0.198922|0.128926|0.069461|0.060831|0.087998|0.122537|0.057130|0.064403|0.059877|0.082835|0.061465|0.055733|0.062083|0.084333|0.172538|0.208711|0.500000| |1.394771|1.502542|1.673918|1.813831|3.613103|2.219535|2.538779|0.065179|2.868265|4.658489|0.100381|2.986124|3.208638|6.037684|3.302302|4.211299|5.006613|6.849908|8.213004|6.173815|4.204048|5.863590|3.058839|2.509273|2.280861|2.388680|2.852277|3.359558|2.081996|3.642740|3.282268|2.728260|2.511079|2.664440|3.177663|8.794672|17.583371|4.979557|0.036302|0.037880|0.039756|0.040028|0.042245|0.048563|0.045278|0.047583|0.051506|0.057213|0.064110|0.072199|0.083781|0.072632|0.078517|0.076703|0.099888|0.077943|0.102910|0.091129|0.130318|0.100811|0.064810|0.056251|0.080293|0.113471|0.053614|0.059158|0.054357|0.095223|0.069618|0.061757|0.067247|0.089500|0.212080|0.172997|0.301780|0.500000| 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