Version2.1 2021-01-06T18:33:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1C)NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]4CCCCC4 C09138449 RHF 6-31G(d) (6D,7F) Cc1cccc(c1C)NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]4CCCCC4 C01[X(C27H37N4O2)] 204 C1 569 O=C(C(=O)NC[C@@H]([NH+]1CCCCC1)c1ccc2c(c1)CCCN2C)Nc1cccc(c1C)C O=C(C(=O)NC[C@@H]([NH+]1CCCCC1)c1ccc2c(c1)CCCN2C)Nc1cccc(c1C)C C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN3C(=O)N[C@@H](CC4=C5C=CC=CC5=[NH+]C4)C3=O InChIKey=KRMRKZDHNNRGHX-LIRRHRJNSA-O InChI=1S/C24H23N5O4/c1-14-10-21(30)26-18-8-4-5-9-20(18)29(14)22(31)13-28-23(32)19(27-24(28)33)11-15-12-25-17-7-3-2-6-16(15)17/h2-9,14,19H,10-13H2,1H3,(H,26,30)(H,27,33)/p+1/t14-,19-/m0/s1 InChI=1/C24H23N5O4/c1-14-10-21(30)26-18-8-4-5-9-20(18)29(14)22(31)13-28-23(32)19(27-24(28)33)11-15-12-25-17-7-3-2-6-16(15)17/h2-9,14,19H,10-13H2,1H3,(H,26,30)(H,27,33)/p+1/t14-,19-/m0/s1/fC24H24N5O4/h25-27H/q+1 Cc1cccc(c1C)NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]4CCCCC4 C01[X(C27H37N4O2)] 204 C01 569 O=C(C(=O)NC[C@@H]([NH+]1CCCCC1)c1ccc2c(c1)CCCN2C)Nc1cccc(c1C)C O=[C]([NH][C]1[CH][CH][CH][C]([C]1C)C)[C]([NH]C[C@H]([C]1[CH][CH][C]2[C]([CH]1)CCCN2C)[NH]1CCCCC1)=O CO[C]1[CH][C]([CH][CH][C]1OC2CCCC2)[C@@H]3[C@@H]4C(=NN=C4[C]5[CH][CH][C](Cl)[CH][CH]5)OC(=C3C#N)N InChIKey=FCIJZMXWDGSXMI-VXKWHMMOSA-N InChI=1S/C25H23ClN4O3/c1-31-20-12-15(8-11-19(20)32-17-4-2-3-5-17)21-18(13-27)24(28)33-25-22(21)23(29-30-25)14-6-9-16(26)10-7-14/h6-12,17,21-22H,2-5,28H2,1H3/t21-,22-/m0/s1 InChI=1/C25H23ClN4O3/c1-31-20-12-15(8-11-19(20)32-17-4-2-3-5-17)21-18(13-27)24(28)33-25-22(21)23(29-30-25)14-6-9-16(26)10-7-14/h6-12,17,21-22H,2-5,28H2,1H3/t21-,22-/m0/s1 3342.8196111587 -1411.3736177 1-A 22105.8776 121 448 569 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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 12320.2857 28320.1015 37379.8893 1.00000 0.00022 -0.00279 -0.00021 1.00000 0.00205 0.00279 -0.00205 0.99999 1 0.00703 0.00306 0.00232 0.14649 0.06373 0.04828 11.98 16.02 26.43 44.70 49.42 53.22 55.70 84.50 100.55 114.23 125.88 155.61 172.27 193.25 221.39 229.36 240.09 259.52 300.13 305.95 319.47 331.32 348.96 373.86 385.66 393.25 452.78 467.78 474.81 485.14 502.80 526.93 538.35 560.85 618.83 660.02 671.74 692.74 697.81 715.58 717.23 752.34 762.15 773.27 790.29 796.65 813.87 844.83 880.37 883.62 909.88 918.38 935.85 953.35 1007.81 1041.24 1058.66 1080.61 1125.96 1147.65 1173.90 1243.79 1256.05 1259.95 1271.17 1289.21 1302.70 1319.90 1335.75 1357.24 1375.02 1383.46 1391.92 1401.40 1403.08 1430.69 1455.21 1463.24 1477.01 1492.52 1497.89 1542.85 1565.57 1573.36 1584.41 1599.32 1605.60 1610.64 1645.88 1652.30 1657.95 1667.93 1684.80 1694.04 1713.57 1728.76 1735.14 1742.64 1749.88 1783.40 1789.76 1790.90 1812.48 1841.52 1852.37 1867.28 1882.30 1889.65 1900.00 1921.83 1928.74 1934.53 1945.58 1987.06 1999.87 2007.97 2022.12 2033.86 2037.35 2039.01 2066.35 2074.67 2089.28 2129.23 2134.52 2150.54 2160.50 2181.81 2195.39 2203.68 2214.34 2221.18 2233.47 2252.47 2256.89 2259.78 2265.60 2266.59 2282.77 2312.31 2315.09 2337.00 2343.09 2343.58 2345.33 2350.51 2352.28 2358.87 2361.70 2364.70 2365.73 2366.31 2368.36 2381.27 2391.47 2393.04 2393.73 2403.82 2436.52 2462.94 2527.44 2543.31 2575.18 2594.78 2614.54 2791.86 2834.21 4558.23 4585.75 4591.27 4604.92 4611.23 4616.43 4616.63 4632.13 4635.14 4669.15 4672.78 4693.09 4694.74 4697.15 4701.19 4705.99 4706.87 4717.31 4718.88 4721.01 4726.26 4737.31 4760.60 4780.03 4783.27 4799.65 4801.21 4807.21 4833.72 4835.20 4843.34 4871.18 4929.71 4956.70 5322.54 5559.08 5561.63 0.659810 0.689669 0.690613 0.593829 -1410.713808 -1410.683948 -1410.683004 -1410.779788 3.246151D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE Cc1cccc(c1C)NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]4CCCCC4 C09138449 RHF 6-31G(d) (6D,10F) C1 449.291652 |X|Y|Z| 121.763676 78.556822 33.289204 68.286527 28 6 7 24 4 |36.858105| |12.579524|36.858105| |7.616206|13.711391|36.858105| |5.032897|7.895979|13.791860|36.858105| |4.420919|6.814755|7.952375|13.796207|36.858105| |4.997329|7.922188|6.928772|7.990067|13.738957|36.858105| |7.485100|13.622997|7.916026|6.830770|7.836051|13.627261|36.858105| |6.374638|7.488705|5.000145|4.425911|4.999965|7.554179|12.568412|36.858105| |3.843576|5.162316|4.567800|5.157081|7.803206|13.399780|7.899028|6.776528|53.358707| |3.078384|3.924032|3.719442|4.362810|6.350459|7.686427|5.208972|4.687178|19.453310|36.858105| |2.835876|3.601775|3.619652|4.460118|6.427305|6.403229|4.438464|3.831958|11.333324|15.871362|73.516695| |2.626101|3.145595|2.926027|3.254297|4.242239|5.046301|4.026239|4.052933|10.875805|12.378403|14.319188|36.858105| |2.647699|3.090149|2.788902|2.989286|3.759445|4.642711|3.985175|4.325566|9.603449|7.896418|9.807998|15.827631|73.516695| |2.253194|2.646082|2.533218|2.837133|3.565028|3.921382|3.215575|3.187167|7.293215|7.935540|12.793890|14.235343|15.059442|53.358707| |1.978187|2.253548|2.147392|2.346838|2.825405|3.091411|2.673598|2.734707|5.409566|5.058229|8.297302|7.887219|12.239192|18.045170|36.858105| |1.854639|2.097569|2.012350|2.196167|2.609714|2.811571|2.453049|2.497971|4.790921|4.251276|7.008752|6.040483|10.356139|10.634281|12.348650|36.858105| |1.975010|2.237603|2.123606|2.304498|2.755475|3.027747|2.648229|2.727654|5.256325|4.518804|7.085854|6.602093|12.510669|9.777460|8.953803|17.639723|0.500000| |1.768060|2.011844|1.975366|2.193538|2.593057|2.684065|2.309019|2.276869|4.421770|3.963518|6.990548|4.969689|7.937552|8.745457|7.486758|12.615727|0.247250|36.858105| |1.625179|1.837753|1.824473|2.028102|2.357869|2.392121|2.074230|2.029873|3.822197|3.407171|6.295330|4.020370|6.336610|7.180197|6.088154|7.512521|0.154916|13.717697|36.858105| |1.542206|1.742133|1.756231|1.965072|2.252101|2.227115|1.933641|1.863168|3.452489|3.019568|5.737925|3.334942|5.272067|5.587828|4.315735|5.005722|0.116246|7.897649|13.817546|36.858105| |1.571675|1.782367|1.812959|2.043096|2.334043|2.274343|1.965832|1.871876|3.479485|2.993336|5.688598|3.197046|5.094205|5.067578|3.708929|4.389371|0.109943|6.730781|7.852534|13.568707|36.858105| |1.705931|1.948123|1.969576|2.224091|2.577152|2.535212|2.172326|2.068670|3.938305|3.374240|6.233626|3.641309|5.855255|5.574237|3.983904|4.999325|0.132885|7.822568|6.852503|7.900086|13.484156|36.858105| |1.815355|2.078232|2.060723|2.308680|2.728642|2.776683|2.369910|2.297872|4.498862|3.930229|6.948213|4.584574|7.417391|7.157917|5.272204|7.552625|0.203311|13.692808|8.025295|6.944858|7.903246|13.804789|36.858105| |1.717817|1.959286|2.002390|2.264043|2.580570|2.495084|2.152551|2.025351|3.757038|3.087434|5.665523|3.174488|5.222432|4.555150|3.167413|3.791916|0.107147|4.998628|4.436132|4.995932|7.486478|12.574118|7.595871|36.858105| |1.534319|1.727003|1.779228|1.994865|2.213436|2.118424|1.861713|1.753341|3.111268|2.517836|4.673943|2.559433|4.246137|3.692477|2.618426|3.042012|0.084005|3.875464|3.756612|4.506013|6.718379|7.608185|5.059002|12.503686|36.858105| |1.487047|1.676902|1.741995|1.967530|2.176367|2.056487|1.799465|1.684042|3.003153|2.469125|4.716539|2.480775|4.034745|3.666836|2.586695|2.903632|0.077687|3.741370|3.914665|5.096418|7.788751|6.718431|4.521382|7.656724|12.535491|36.858105| |1.468133|1.654385|1.701580|1.915054|2.142281|2.053779|1.793845|1.696188|3.056495|2.567176|4.919110|2.651676|4.274167|4.070670|2.943292|3.334493|0.085873|4.532328|5.174475|7.873530|13.872315|7.854440|5.188107|6.575012|7.775888|13.083115|53.358707| |1.370650|1.534859|1.583177|1.773859|1.961345|1.874554|1.651180|1.563155|2.760924|2.311873|4.474220|2.371590|3.820389|3.665592|2.671779|2.905330|0.073834|3.750243|4.527114|6.728148|7.802491|5.091498|3.929284|4.400311|5.059182|7.710473|17.898528|36.858105| |1.649868|1.825943|1.747247|1.874029|2.167027|2.327364|2.097123|2.169663|3.817917|3.211840|5.350644|4.226294|7.723836|6.804107|7.439649|12.384646|0.253329|7.667214|6.111880|4.344771|3.752599|4.046998|5.398450|3.203869|2.712052|2.586098|4.052588|2.663368|53.358707| |1.553839|1.717163|1.658139|1.784640|2.049020|2.167558|1.951563|1.997462|3.497483|2.961703|5.078293|3.750947|6.593345|6.227043|6.607049|9.239105|0.183180|7.522649|7.100871|4.880188|3.970502|4.041321|5.106710|3.135949|2.722212|2.656777|4.279731|2.866874|25.716243|0.500000| |1.641479|1.793634|1.693513|1.788345|2.051189|2.240856|2.063550|2.188622|3.662511|3.001175|4.911182|3.950308|7.591182|6.049360|6.497563|7.385956|0.182803|4.945516|4.307240|3.312074|2.915987|3.094680|3.876859|2.587188|2.241207|2.153665|3.297356|2.226466|17.226051|0.258816|36.858105| |1.460809|1.574520|1.493434|1.565056|1.762587|1.902911|1.779366|1.884406|3.018509|2.419591|4.030268|3.000918|5.696823|4.486957|4.341953|4.865492|0.124624|3.836370|3.566349|2.899694|2.572824|2.667966|3.173419|2.282324|2.038648|1.962721|2.994150|2.054218|10.359073|0.198192|12.482860|36.858105| |1.402282|1.505246|1.431858|1.497445|1.675168|1.798217|1.688621|1.781837|2.820515|2.227082|3.710820|2.700731|5.161287|3.932152|3.598519|4.311738|0.116582|3.608022|3.291760|2.771656|2.540024|2.675755|3.146848|2.334226|2.098860|1.979787|2.984596|2.021662|8.759736|0.163869|7.509033|12.478473|36.858105| |1.411045|1.528570|1.468133|1.551579|1.742716|1.848711|1.712317|1.776943|2.901759|2.320007|3.907371|2.799550|5.230915|4.143508|3.763392|4.934206|0.131313|4.389715|3.948614|3.317980|3.055990|3.245284|3.847805|2.773489|2.482361|2.310141|3.526969|2.341093|10.341026|0.198979|6.512316|7.627000|12.476290|36.858105| |1.573250|1.727876|1.657524|1.768473|2.020273|2.155150|1.962853|2.028142|3.462552|2.818469|4.692462|3.525846|6.597989|5.279253|4.928643|7.625934|0.206493|6.305378|5.006427|3.958954|3.664766|4.097682|5.330245|3.367174|2.865208|2.629825|4.035237|2.595210|17.180223|0.259463|7.698524|6.553422|7.565718|12.513861|36.858105| |17.548695|8.794852|5.933695|4.309341|3.943357|4.535158|6.584097|6.348134|4.970040|2.974737|4.870140|2.577124|4.634611|3.026628|1.965247|1.820759|0.053538|1.721341|1.590570|1.502048|1.516154|1.633484|1.745085|1.627016|1.457763|1.420526|1.924339|1.327902|2.218226|0.042705|1.638496|1.460665|1.392682|1.390577|1.542968|0.500000| |17.554708|8.794110|5.877370|4.287218|3.945616|4.561707|6.652348|6.466293|5.020326|2.944514|4.744996|2.577823|4.723043|2.994596|1.953078|1.853088|0.055331|1.756996|1.603243|1.517723|1.551304|1.695349|1.811957|1.715309|1.529107|1.468139|1.969177|1.344149|2.256522|0.043143|1.653727|1.475325|1.425692|1.431887|1.594914|0.302006|0.500000| |17.598329|8.876171|7.410599|4.821565|3.992176|4.186424|5.556011|4.697864|4.462575|2.723163|4.572499|2.335359|4.145511|2.781368|1.806000|1.704619|0.050103|1.643279|1.522941|1.458453|1.491914|1.610065|1.693597|1.632664|1.473021|1.432352|1.914030|1.318349|2.076014|0.040138|1.511187|1.355396|1.306015|1.318202|1.461244|0.302724|0.302595|0.500000| |7.119102|8.931429|17.720931|8.951734|5.660077|4.981182|5.637980|4.075932|4.943167|3.082678|5.412081|2.512365|4.286067|3.023777|1.917295|1.809796|0.052770|1.786188|1.664928|1.615184|1.669553|1.799211|1.863203|1.840312|1.658885|1.628620|2.155283|1.482878|2.166398|0.042167|1.545842|1.377471|1.325840|1.358021|1.518996|0.155459|0.153140|0.231318|0.500000| |4.110259|5.629338|8.928186|17.723021|8.952150|5.670379|4.930492|3.541523|5.679995|3.776588|7.162206|2.903672|4.712085|3.556997|2.186131|2.063475|0.059552|2.097364|1.965186|1.933798|2.024898|2.181569|2.219478|2.242685|2.005219|1.997592|2.620743|1.794090|2.411627|0.047258|1.679893|1.481532|1.422158|1.481190|1.679121|0.100061|0.099423|0.114882|0.215914|0.500000| |3.541673|4.928632|5.655775|8.922928|17.807406|8.915211|5.606928|4.089546|9.707169|6.945369|14.378489|4.498964|6.768525|5.323599|3.028353|2.803414|0.081247|2.859221|2.611583|2.517514|2.629316|2.903010|3.037534|2.895181|2.459629|2.445511|3.274381|2.190997|3.115963|0.060517|2.128190|1.820396|1.727988|1.817864|2.123567|0.089963|0.090000|0.090926|0.124441|0.215328|0.500000| |5.260208|5.936785|4.318424|3.955406|4.519896|6.536361|8.778570|17.496824|8.891026|4.573311|6.513421|4.163392|8.318898|4.389818|2.806964|2.626405|0.081463|2.372436|2.081061|1.902185|1.923068|2.155066|2.418655|2.122234|1.821807|1.726315|2.360387|1.583403|3.108242|0.057737|2.300086|1.974643|1.886404|1.883276|2.162877|0.138938|0.161150|0.113605|0.100204|0.090111|0.106423|0.500000| |7.572337|7.158773|4.713324|3.949504|4.153355|5.572071|8.810973|17.658831|6.694994|3.724713|5.663899|3.320766|6.287814|3.703558|2.396122|2.205452|0.066285|2.021509|1.824176|1.686196|1.692536|1.853167|2.036061|1.823361|1.600537|1.540677|2.107343|1.436935|2.662096|0.050334|1.989582|1.741323|1.652690|1.637552|1.841666|0.229629|0.223240|0.147440|0.112050|0.089997|0.095844|0.304051|0.500000| |4.978563|5.753940|4.258721|3.974070|4.632564|6.851597|8.810202|17.548030|9.663114|5.113572|7.273228|4.548415|8.684313|4.805849|3.016986|2.670409|0.080336|2.388836|2.134427|1.934744|1.915691|2.101331|2.359161|2.018777|1.746031|1.689430|2.345036|1.595296|3.147830|0.059071|2.365589|2.015516|1.875950|1.854898|2.120456|0.146463|0.134995|0.108430|0.098346|0.090504|0.109676|0.301404|0.303976|0.500000| |3.793476|4.807598|4.055197|4.291058|5.785337|9.163338|7.367643|7.801311|26.029060|9.697116|10.914173|8.016287|15.294564|7.016501|4.032370|3.615828|0.113605|3.212383|2.733527|2.437619|2.445508|2.786478|3.243935|2.655206|2.199877|2.096947|2.913672|1.929716|3.973197|0.073024|2.854331|2.337872|2.188520|2.226585|2.662476|0.101124|0.104817|0.088618|0.091939|0.098422|0.146309|0.232707|0.150742|0.232815|0.500000| |2.213537|2.621606|2.569854|2.941777|3.707520|3.887796|3.127611|2.993115|6.887610|7.757147|15.262991|9.509471|10.897728|26.008372|8.921253|6.264631|0.155681|6.109073|5.484340|4.442485|4.002305|4.257910|5.153313|3.452483|2.822484|2.881106|4.387846|2.931517|5.849070|0.114752|3.768580|2.932232|2.601710|2.773160|3.445334|0.060515|0.059380|0.056289|0.062740|0.076378|0.117213|0.082620|0.071570|0.090918|0.127705|0.500000| |2.015809|2.269330|2.123969|2.278013|2.718165|3.054163|2.711950|2.866932|5.356586|4.740197|7.434641|7.457373|13.473118|12.730232|17.670415|8.757229|0.215730|5.480902|4.614250|3.495071|3.086894|3.320693|4.245742|2.759196|2.318678|2.270775|3.447989|2.324597|9.297224|0.161441|7.352495|4.688297|3.745697|3.693215|4.660880|0.056137|0.055560|0.050772|0.052707|0.058409|0.078885|0.082053|0.069988|0.089538|0.115259|0.182809|0.500000| |1.835079|2.076254|2.000913|2.188802|2.592905|2.771403|2.416789|2.446566|4.659488|4.301782|7.513512|5.841230|8.990790|12.602050|17.601571|8.725258|0.174040|6.778828|6.608588|4.599313|3.729614|3.770223|4.690830|2.969705|2.527484|2.564537|4.061740|2.788592|9.065110|0.188415|5.931603|4.251230|3.439372|3.587284|4.436762|0.050886|0.050007|0.046931|0.050068|0.057324|0.077623|0.068704|0.060434|0.074807|0.094428|0.225118|0.301590|0.500000| |1.572993|1.766441|1.745132|1.923799|2.221900|2.271231|1.991006|1.967057|3.618640|3.208980|5.911965|3.820783|6.072386|6.941232|6.336015|6.879472|0.139027|8.842864|17.656567|9.037946|5.629879|4.937718|5.656726|3.546026|3.117766|3.282227|5.728847|3.973506|8.477941|0.220275|4.619264|3.851672|3.392038|3.924464|4.724488|0.043108|0.043004|0.040930|0.044358|0.051689|0.067645|0.055621|0.049376|0.058045|0.072236|0.146047|0.135316|0.218195|0.500000| |1.448621|1.625922|1.644952|1.832896|2.073843|2.039836|1.787811|1.722808|3.114546|2.693135|5.161241|2.923110|4.649441|4.842645|3.748532|4.101882|0.096462|5.658168|9.032438|17.792418|8.848086|5.617395|4.995643|4.061334|3.917667|4.645937|9.718881|7.644535|5.108436|0.119356|2.998210|2.701429|2.563250|3.003877|3.411981|0.039352|0.039476|0.038227|0.042300|0.050420|0.064067|0.048505|0.043646|0.049770|0.060988|0.107771|0.086737|0.114843|0.221727|0.500000| |1.929626|2.213313|2.173915|2.421442|2.878680|2.979890|2.547386|2.485165|4.883111|4.139269|6.989754|4.859591|8.217318|6.939005|4.966127|7.024411|0.226200|8.921079|5.679507|4.985949|5.641192|9.026744|17.675189|7.149462|4.653578|3.950354|5.721946|3.284412|6.925538|0.126049|3.817801|3.109158|3.140705|3.775700|5.299619|0.051195|0.053979|0.049736|0.054316|0.063967|0.087831|0.074015|0.060744|0.070179|0.099734|0.132572|0.116652|0.117095|0.123958|0.108191|0.500000| |1.854265|2.144038|2.219428|2.555909|2.934802|2.773152|2.351317|2.167540|4.125320|3.388366|6.325814|3.333892|5.387950|4.680019|3.114532|3.568226|0.101976|4.516396|4.015098|4.420901|6.142353|8.916798|6.472343|17.517771|8.878706|6.771679|7.624901|4.031009|4.012249|0.079559|2.439734|2.134938|2.152653|2.491310|3.008618|0.048429|0.051193|0.049014|0.056385|0.070771|0.093285|0.062817|0.053901|0.059571|0.079457|0.100229|0.075640|0.080684|0.091310|0.102474|0.178383|0.500000| |1.730552|1.960505|1.981822|2.210410|2.510592|2.472048|2.159734|2.056392|3.734648|2.996241|5.322729|3.131605|5.315142|4.369774|3.085579|3.782471|0.111253|4.717953|3.991792|4.220106|5.657461|8.889822|7.140315|17.558055|8.822184|5.546711|6.757516|3.604235|4.430267|0.086491|2.639470|2.336633|2.438378|2.916353|3.566321|0.045416|0.048465|0.045561|0.050601|0.060236|0.076701|0.060680|0.051473|0.056603|0.074725|0.089206|0.076092|0.078865|0.090634|0.096938|0.216527|0.303834|0.500000| |1.529156|1.716287|1.780593|1.992938|2.180900|2.068620|1.830200|1.713339|2.984324|2.369542|4.386363|2.363421|3.950974|3.336908|2.341598|2.666573|0.074787|3.251355|3.122672|3.611275|4.918321|5.535150|4.120150|8.829713|17.569756|8.889018|7.665415|4.160797|3.257583|0.066157|2.023838|1.852252|1.911685|2.223290|2.530945|0.040149|0.042404|0.041008|0.046396|0.056061|0.066938|0.049474|0.043641|0.046977|0.058570|0.070643|0.058473|0.062548|0.074013|0.089792|0.110711|0.218666|0.207501|0.500000| |1.440811|1.605888|1.640000|1.815537|2.004716|1.945903|1.731416|1.652082|2.869560|2.307783|4.225500|2.394195|4.034337|3.466349|2.527598|2.988261|0.082210|3.769946|3.683890|4.382962|6.203707|6.706322|4.771749|8.838013|17.547205|8.914739|9.587199|4.828415|3.752354|0.077385|2.268427|2.096935|2.194746|2.640317|2.995565|0.038188|0.040049|0.038400|0.042608|0.050419|0.061051|0.047841|0.042095|0.045837|0.057048|0.072540|0.062642|0.068049|0.085714|0.107145|0.121953|0.174029|0.216422|0.302178|0.500000| |1.564097|1.778480|1.869810|2.140801|2.366520|2.192857|1.900099|1.753039|3.166393|2.610202|5.087470|2.549822|4.092037|3.740157|2.564702|2.800274|0.075349|3.540946|3.667993|4.616985|6.544196|5.966820|4.239055|6.899005|8.846304|17.472541|12.302510|6.619277|3.330045|0.069277|2.066017|1.866729|1.862002|2.135252|2.440956|0.041363|0.042653|0.041961|0.048529|0.061016|0.074964|0.049608|0.044456|0.048703|0.060578|0.083010|0.062573|0.070512|0.086574|0.118058|0.104922|0.199774|0.139943|0.214873|0.173961|0.500000| |1.379854|1.541966|1.603778|1.795608|1.957157|1.850339|1.639544|1.539661|2.673093|2.169174|4.122954|2.176522|3.577591|3.196138|2.279637|2.531004|0.067764|3.153660|3.340446|4.254357|5.773451|4.968296|3.655644|5.552601|8.885871|17.611820|12.579541|7.384255|3.149935|0.066400|1.959106|1.815259|1.840106|2.132940|2.368377|0.036684|0.037862|0.037103|0.041989|0.050877|0.060412|0.043750|0.039428|0.042851|0.052080|0.069313|0.056367|0.063270|0.080402|0.113715|0.090817|0.139694|0.124049|0.213719|0.216504|0.302409|0.500000| |1.309984|1.459951|1.513729|1.690818|1.845678|1.753044|1.555597|1.468754|2.546518|2.099357|4.048518|2.125865|3.456116|3.218031|2.330991|2.517348|0.065137|3.136725|3.616858|4.897458|5.732680|4.246080|3.337994|3.988530|4.883248|7.613152|12.548255|17.643346|3.176080|0.068987|1.986809|1.853092|1.839058|2.110876|2.306281|0.035191|0.035700|0.035186|0.039648|0.047843|0.056974|0.041300|0.037705|0.041405|0.049476|0.070945|0.057270|0.066992|0.090134|0.148901|0.080281|0.103111|0.092398|0.116962|0.130087|0.183689|0.244179|0.500000| |1.306663|1.453440|1.487361|1.650652|1.822539|1.763718|1.566636|1.498970|2.611697|2.180323|4.165181|2.278872|3.708071|3.548182|2.662565|2.914238|0.073086|3.722869|4.659563|6.882565|6.870371|4.596724|3.738683|3.866908|4.326476|5.758008|12.352249|17.581521|3.751749|0.084166|2.300631|2.153993|2.121005|2.471331|2.688114|0.035321|0.035676|0.034856|0.038739|0.046091|0.055960|0.042234|0.038390|0.042684|0.051161|0.077773|0.064625|0.078246|0.117141|0.243146|0.086722|0.096662|0.091568|0.099900|0.121730|0.136289|0.158221|0.303507|0.500000| |1.414792|1.592176|1.649809|1.861565|2.064053|1.957744|1.713124|1.611704|2.878229|2.437667|4.814959|2.469375|3.916596|3.859503|2.764667|2.908055|0.073367|3.709160|4.552028|6.570771|6.858612|4.691081|3.778762|4.006262|4.311185|6.219431|12.236167|17.507273|3.565163|0.078280|2.214403|2.022869|1.957435|2.229122|2.484347|0.038155|0.038309|0.037803|0.042857|0.052479|0.064596|0.045005|0.041090|0.045873|0.055339|0.087755|0.066454|0.081246|0.113617|0.216792|0.088020|0.106843|0.091631|0.101926|0.110664|0.170146|0.159508|0.301478|0.299881|0.500000| |1.746571|1.904358|1.777087|1.863004|2.143387|2.382751|2.212327|2.388901|3.937071|3.157486|5.020055|4.233236|8.697744|6.071517|6.116008|6.861949|0.197271|4.537548|3.788308|2.998853|2.732283|2.981484|3.764643|2.556238|2.190491|2.075866|3.114131|2.082999|12.406947|0.181901|17.603979|8.748748|6.703199|5.716103|7.010654|0.048401|0.049232|0.044370|0.044888|0.048203|0.061118|0.070764|0.060087|0.071831|0.087353|0.102506|0.206805|0.143456|0.108279|0.074909|0.107852|0.067635|0.073578|0.055503|0.061242|0.055686|0.052386|0.052086|0.059022|0.057541|0.500000| |1.669634|1.828825|1.726394|1.825805|2.099737|2.296797|2.109333|2.235762|3.766421|3.132422|5.162744|4.149958|7.751143|6.588438|7.462229|6.852832|0.161219|4.703896|4.297058|3.285525|2.835079|2.945522|3.625456|2.455514|2.139202|2.093973|3.221197|2.210028|12.323579|0.223881|17.684491|8.869772|5.500353|4.903177|5.610608|0.046601|0.046379|0.042644|0.043707|0.047595|0.060573|0.064322|0.056422|0.068091|0.080830|0.113759|0.253231|0.203213|0.134203|0.083967|0.097407|0.065225|0.068400|0.053784|0.059511|0.056370|0.052957|0.054655|0.063350|0.061993|0.301522|0.500000| |1.448385|1.548360|1.459641|1.516813|1.698733|1.845620|1.746892|1.871240|2.909847|2.300120|3.811132|2.823099|5.427951|4.126718|3.869987|4.061230|0.107170|3.242102|3.034712|2.524201|2.265661|2.347538|2.750656|2.046537|1.838896|1.776009|2.677522|1.852492|7.585010|0.144962|8.984518|17.574396|8.786992|5.521523|4.912729|0.040466|0.040689|0.037284|0.037474|0.039782|0.048314|0.054347|0.048378|0.055871|0.062999|0.075010|0.120682|0.105307|0.090951|0.066051|0.075780|0.053815|0.058199|0.046892|0.052248|0.047302|0.045869|0.046814|0.053665|0.050990|0.214340|0.215179|0.500000| |1.389183|1.498851|1.432811|1.507708|1.691977|1.806175|1.682286|1.762067|2.840391|2.298062|3.899194|2.800345|5.156664|4.290131|4.131636|4.519079|0.110869|3.770822|3.707419|3.026191|2.620775|2.640498|3.072990|2.236470|2.026433|1.980935|3.064390|2.135761|9.286051|0.207939|8.881234|17.512353|8.835659|6.805754|5.697518|0.038615|0.038765|0.035970|0.036824|0.039887|0.048823|0.050801|0.045348|0.052314|0.060264|0.079724|0.119260|0.118884|0.115413|0.079881|0.081395|0.057937|0.062722|0.050910|0.058074|0.052158|0.051141|0.053309|0.063051|0.058490|0.173033|0.218088|0.304092|0.500000| |1.449746|1.549406|1.463276|1.520553|1.699470|1.840775|1.742788|1.858994|2.889543|2.246033|3.690978|2.725337|5.346971|3.849835|3.440826|4.084616|0.116667|3.366100|2.987858|2.542905|2.382898|2.561992|3.027480|2.281221|2.035661|1.898644|2.814712|1.893115|7.647902|0.135143|6.718615|8.845054|17.528880|8.849562|6.783362|0.039967|0.041206|0.037392|0.037606|0.039926|0.048325|0.055213|0.047958|0.054206|0.063074|0.070089|0.101689|0.088780|0.083908|0.064928|0.086519|0.058890|0.067084|0.051996|0.058831|0.049900|0.048972|0.048159|0.054520|0.051008|0.195011|0.138532|0.214751|0.173548|0.500000| |1.301521|1.388021|1.324434|1.380332|1.530233|1.632368|1.542836|1.624257|2.525540|1.981127|3.331211|2.348687|4.441403|3.408158|3.037793|3.508188|0.094383|3.070924|2.896527|2.509341|2.307045|2.389957|2.727141|2.113801|1.938604|1.840355|2.764462|1.897632|6.599632|0.131510|5.490346|8.844893|17.588467|8.827099|5.509332|0.035967|0.036741|0.033824|0.034255|0.036569|0.043762|0.047531|0.042184|0.047350|0.054144|0.063694|0.087365|0.082466|0.083505|0.065669|0.075094|0.054231|0.061075|0.049339|0.056614|0.048017|0.048037|0.048332|0.055660|0.050926|0.137853|0.123725|0.209273|0.215945|0.303460|0.500000| |1.367696|1.475216|1.419583|1.495789|1.668336|1.762615|1.641526|1.700094|2.735705|2.157616|3.636400|2.548576|4.777665|3.689062|3.210999|4.129747|0.114635|3.847595|3.456872|3.033925|2.896807|3.113403|3.590390|2.750264|2.491898|2.276951|3.411660|2.249306|7.571951|0.145483|4.884914|5.521607|8.786293|17.574187|8.987477|0.037301|0.038715|0.035604|0.036611|0.039765|0.048205|0.050288|0.043708|0.048822|0.058342|0.069279|0.087476|0.084496|0.093098|0.076511|0.100026|0.068130|0.081892|0.062490|0.074706|0.058102|0.058839|0.057029|0.065682|0.058874|0.128171|0.107845|0.123198|0.139132|0.214887|0.208788|0.500000| |1.344090|1.457315|1.409787|1.495831|1.674439|1.757890|1.622659|1.668704|2.738434|2.208846|3.784012|2.627198|4.786694|3.973649|3.601072|4.586203|0.116012|4.344320|4.185803|3.558822|3.188609|3.252234|3.733063|2.737212|2.503162|2.374169|3.699477|2.494488|9.292828|0.209457|5.685159|6.799191|8.814180|17.515355|8.870206|0.036837|0.037691|0.035024|0.036330|0.039904|0.048795|0.048664|0.042820|0.048426|0.057656|0.075399|0.095981|0.099291|0.118352|0.091235|0.097791|0.067911|0.078298|0.061777|0.074535|0.060468|0.061297|0.062131|0.074632|0.065629|0.131781|0.128169|0.138982|0.198470|0.173378|0.214850|0.304011|0.500000| |1.561045|1.724789|1.672095|1.800391|2.057434|2.161512|1.948517|1.979803|3.446552|2.828312|4.790988|3.447651|6.244635|5.210539|4.626667|7.299379|0.194403|7.447290|5.756558|4.656707|4.429855|5.087373|6.695691|4.037838|3.389891|3.053583|4.742866|2.955798|12.372711|0.224031|5.623616|4.903526|5.497133|8.786597|17.682111|0.042274|0.043854|0.040454|0.042605|0.047804|0.060732|0.058498|0.049852|0.056991|0.072505|0.097168|0.115581|0.117454|0.140246|0.107701|0.177390|0.096579|0.119413|0.081273|0.099988|0.077217|0.075483|0.072298|0.084953|0.077189|0.144272|0.126608|0.108008|0.127488|0.139287|0.123187|0.213652|0.214192|0.500000| 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