Version2.1 2021-01-12T00:45:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 18-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)CCC3CCCC3)Oc4ccccc4Cl C39666412 RHF 6-31G(d) (6D,7F) C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)CCC3CCCC3)Oc4ccccc4Cl C01[X(C26H39Cl1N3O3)] 210 C1 577 C[C@@H](Oc1ccccc1Cl)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)CCC1CCCC1 C[C@@H](Oc1ccccc1Cl)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)CCC1CCCC1 C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)CCC3CCCC3)Oc4ccccc4Cl InChIKey=OOGJESICUKVCSS-TZIWHRDSSA-O InChI=1S/C26H38ClN3O3/c1-19(33-23-9-5-4-8-22(23)27)16-29-25(32)21-17-30(18-26(21)12-14-28-15-13-26)24(31)11-10-20-6-2-3-7-20/h4-5,8-9,19-21,28H,2-3,6-7,10-18H2,1H3,(H,29,32)/p+1/t19-,21-/m1/s1 InChI=1/C26H38ClN3O3/c1-19(33-23-9-5-4-8-22(23)27)16-29-25(32)21-17-30(18-26(21)12-14-28-15-13-26)24(31)11-10-20-6-2-3-7-20/h4-5,8-9,19-21,28H,2-3,6-7,10-18H2,1H3,(H,29,32)/p+1/t19-,21-/m1/s1/fC26H39ClN3O3/h28-29H/q+1 C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)CCC3CCCC3)Oc4ccccc4Cl C01[X(C26H39Cl1N3O3)] 210 C01 577 C[C@@H](Oc1ccccc1Cl)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)CCC1CCCC1 C[C@@H](O[C]1[CH][CH][CH][CH][C]1Cl)CNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)CCC1CCCC1 C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)CCC3CCCC3)O[C]4[CH][CH][CH][CH][C]4Cl InChIKey=MCZZMJDNKKBBPU-TZIWHRDSSA-N InChI=1S/C26H39ClN3O3/c1-19(33-23-9-5-4-8-22(23)27)16-29-25(32)21-17-30(18-26(21)12-14-28-15-13-26)24(31)11-10-20-6-2-3-7-20/h4-5,8-9,19-21H,2-3,6-7,10-18,28H2,1H3,(H,29,32)/t19-,21-/m1/s1 InChI=1/C26H39ClN3O3/c1-19(33-23-9-5-4-8-22(23)27)16-29-25(32)21-17-30(18-26(21)12-14-28-15-13-26)24(31)11-10-20-6-2-3-7-20/h4-5,8-9,19-21H,2-3,6-7,10-18,28H2,1H3,(H,29,32)/t19-,21-/m1/s1/f/h29H 3775.5961741120 -1854.5488138 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15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 6818.7899 37734.2724 40510.5253 0.99999 -0.00197 0.00319 0.00198 0.99999 -0.00476 -0.00318 0.00477 0.99998 1 0.01270 0.00230 0.00214 0.26467 0.04783 0.04455 15.70 25.46 37.51 41.39 50.16 51.61 58.89 64.80 84.55 93.50 118.34 131.86 144.46 163.08 179.16 198.18 205.45 242.45 252.47 268.74 289.63 293.66 317.81 330.65 343.27 351.12 384.91 389.14 408.30 431.79 445.94 490.50 504.45 547.36 579.08 608.22 620.00 641.98 668.46 687.82 702.77 716.27 724.20 742.72 772.10 806.18 833.89 857.48 878.19 895.95 910.23 951.25 959.87 965.90 1046.60 1091.22 1143.22 1155.69 1189.94 1194.22 1225.62 1229.22 1245.95 1249.00 1252.49 1268.42 1286.96 1324.46 1346.90 1349.34 1364.61 1380.72 1381.26 1403.02 1412.99 1457.92 1461.87 1479.25 1480.90 1518.41 1537.98 1543.52 1545.25 1561.54 1578.03 1586.04 1598.99 1606.93 1613.16 1623.37 1624.56 1635.24 1643.54 1651.26 1657.62 1682.30 1708.11 1714.32 1730.24 1747.51 1748.74 1771.59 1782.82 1793.83 1809.97 1827.74 1844.54 1853.95 1899.75 1903.27 1912.76 1912.96 1924.96 1935.36 1940.77 1965.96 1981.84 2002.56 2016.00 2018.37 2024.82 2053.66 2058.43 2069.13 2077.03 2083.89 2091.10 2094.78 2100.75 2112.57 2124.90 2129.61 2137.99 2138.78 2155.35 2173.38 2195.38 2211.18 2217.75 2229.72 2234.12 2241.72 2249.89 2262.66 2263.79 2269.68 2284.12 2288.62 2312.45 2321.54 2332.24 2336.62 2348.15 2353.28 2354.72 2360.39 2365.21 2365.73 2368.34 2370.20 2387.37 2388.56 2406.39 2415.29 2433.11 2464.61 2542.32 2568.44 2615.55 2779.79 2791.24 4542.27 4591.91 4595.28 4600.20 4607.34 4620.19 4631.81 4635.08 4640.06 4646.58 4651.21 4659.35 4662.02 4674.92 4678.00 4686.64 4695.71 4698.10 4701.64 4712.79 4713.84 4722.39 4729.87 4733.15 4739.01 4748.63 4756.68 4758.46 4761.99 4782.54 4804.97 4810.72 4860.82 4879.03 4896.47 4922.33 5257.91 5364.01 5613.39 0.681181 0.712185 0.713129 0.613896 -1853.867633 -1853.836629 -1853.835685 -1853.934918 3.328291D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE C[C@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)CCC3CCCC3)Oc4ccccc4Cl C39666412 RHF 6-31G(d) (6D,10F) C1 476.267995 |X|Y|Z| 53.428670 36.000537 140.457775 64.646206 29 6 7 8 25 3 1 |36.858105| |12.528030|36.858105| |8.831927|17.649116|0.500000| |7.552020|12.486718|0.249242|36.858105| |4.985059|7.671390|0.194431|13.138107|53.358707| |4.189067|6.075704|0.183748|7.768263|19.271793|36.858105| |4.305240|6.005765|0.205153|6.849685|11.596724|15.819060|73.516695| |3.210479|4.278406|0.126101|5.004666|10.653785|12.503418|14.195436|36.858105| |3.031724|3.938514|0.110096|4.790834|10.253629|8.882272|10.519839|17.536809|0.500000| |2.695259|3.373153|0.101403|3.838689|7.007396|7.464339|11.753351|12.417748|0.246806|36.858105| |2.354780|2.882276|0.086120|3.124200|5.438659|5.178668|8.360511|8.129342|0.189271|13.079654|53.358707| |2.427347|3.009273|0.088844|3.178323|5.583936|5.042532|7.753105|8.025304|0.197225|7.877630|17.933924|36.858105| |3.005466|3.950119|0.118221|4.126453|7.712470|7.348737|10.424107|12.209344|0.247034|7.800944|11.045152|12.382699|36.858105| |3.141887|4.105672|0.132164|3.934184|6.636684|6.401662|10.974694|7.399392|0.152462|6.102715|8.470486|7.509151|12.321934|36.858105| |2.782179|3.451665|0.107786|3.181153|5.031407|4.323726|7.478092|4.831661|0.112999|4.249976|6.400668|5.985904|7.434969|12.502820|36.858105| |2.893893|3.587071|0.106918|3.241201|5.061251|4.013024|6.616440|4.366631|0.109028|3.606007|5.262757|5.051948|6.466850|7.698156|12.671605|53.358707| |2.607553|3.109616|0.091758|2.801926|4.248066|3.312029|5.567633|3.564122|0.091075|3.072904|4.537308|4.220169|4.905625|5.679651|9.172632|25.704343|0.500000| |3.340074|4.210948|0.125746|3.614591|5.480867|4.212981|7.000100|4.268413|0.106424|3.439073|4.768829|4.337354|5.825862|7.063892|9.182806|25.621932|0.329039|0.500000| |2.752851|3.428001|0.097729|3.286439|5.372123|4.131781|6.388021|4.841020|0.128945|3.826960|5.693984|5.946377|7.446036|6.487747|7.626517|17.260785|0.255024|0.255647|36.858105| |3.102886|4.071627|0.114857|4.145509|7.502785|5.826584|8.178760|7.437781|0.201215|5.007627|6.993558|7.424365|12.392018|7.571383|6.499911|10.502828|0.158008|0.196987|12.505522|36.858105| |2.031095|2.406244|0.071595|2.573644|4.257080|3.838718|6.517223|5.170469|0.130369|7.530568|18.986960|7.833726|5.248960|4.606544|3.886938|4.386464|0.080420|0.081020|3.409470|3.857648|36.858105| |1.867306|2.186153|0.064609|2.295644|3.725400|3.236365|5.485225|4.207144|0.109522|5.292669|11.653070|7.073062|4.624869|4.153802|3.807697|4.349458|0.081655|0.078722|3.399481|3.633141|15.861390|73.516695| |1.931237|2.245893|0.066846|2.428925|3.913202|3.498724|6.177921|4.325537|0.110349|6.487287|10.565515|5.011744|4.005308|3.704661|3.130349|3.603433|0.066896|0.068554|2.738209|3.093133|12.563995|14.137043|36.858105| |1.680872|1.913071|0.056619|2.035105|3.181699|2.738895|4.882622|3.231576|0.084504|4.277391|6.854778|3.835367|3.128918|2.989454|2.677218|3.127447|0.059456|0.059435|2.354185|2.554347|7.511384|12.100859|12.463988|36.858105| |1.586322|1.777215|0.052454|1.896325|2.902003|2.460864|4.463232|2.774164|0.073084|3.562652|5.185911|3.020535|2.615230|2.537955|2.276933|2.703101|0.051666|0.052237|2.016491|2.188186|4.880077|7.843731|7.467011|12.461248|36.858105| |1.413499|1.563414|0.045933|1.648547|2.484253|2.064142|3.739872|2.291093|0.060936|2.796813|4.104409|2.530631|2.213064|2.172441|2.008668|2.413527|0.046780|0.046645|1.792318|1.903432|3.736202|6.470384|4.850002|7.430218|12.423475|36.858105| |1.347433|1.474475|0.043104|1.561988|2.324512|1.907612|3.470675|2.070704|0.055511|2.483250|3.502280|2.188057|1.966206|1.928990|1.777519|2.164686|0.041984|0.042285|1.607316|1.714818|3.028115|5.144186|3.848257|4.995871|7.900843|12.432609|36.858105| |1.408168|1.545167|0.044906|1.662784|2.488359|2.037150|3.675595|2.215858|0.060092|2.682651|3.693374|2.275242|2.050825|1.972266|1.787760|2.193720|0.042231|0.043020|1.647807|1.787131|3.147554|5.189925|4.110298|4.959311|7.733534|7.796589|12.308382|36.858105| |1.557247|1.735539|0.050601|1.883954|2.878152|2.399366|4.293651|2.682039|0.072525|3.391965|4.714551|2.782242|2.450379|2.317728|2.063410|2.506357|0.047792|0.048855|1.897828|2.087782|4.170602|6.614289|6.023051|7.343907|12.368143|7.938942|7.704180|12.300174|36.858105| |7.857006|13.343326|0.257252|8.082316|9.292602|5.380061|8.660033|4.235484|0.111436|3.234346|3.922237|3.160246|4.228052|4.281283|3.777079|5.795433|0.101491|0.145548|4.134872|4.839589|2.395041|3.938794|2.177697|1.866414|1.710969|1.515186|1.418410|1.480140|1.664829|73.516695| |5.997793|7.847480|0.201894|5.278533|6.698181|4.399386|7.396886|3.746608|0.097001|2.964215|3.744121|3.082993|4.063254|4.390979|4.200127|6.822980|0.121330|0.186824|4.490493|4.738337|2.318550|3.882098|2.085445|1.810853|1.651442|1.475646|1.373603|1.417490|1.587476|25.381339|36.858105| |5.483692|6.524547|0.200689|4.424223|5.611230|4.001947|7.241888|3.426211|0.086020|2.843067|3.623977|2.928070|3.764608|4.454169|4.413018|6.711400|0.122883|0.183490|4.016503|4.051168|2.279762|3.827520|2.066970|1.809361|1.656269|1.485793|1.381210|1.412039|1.573778|13.979572|13.669096|36.858105| |4.005351|4.423453|0.132876|3.356611|4.409978|3.220894|5.816805|2.925367|0.074261|2.511121|3.313248|2.703056|3.321234|3.963795|4.335756|6.780276|0.134436|0.181476|3.860383|3.593065|2.131427|3.650837|1.924411|1.714318|1.566676|1.422040|1.317817|1.334598|1.478029|9.228737|7.879161|13.713867|36.858105| |3.398294|3.725866|0.106184|2.987820|4.015952|2.884874|5.037498|2.720792|0.070796|2.331092|3.140417|2.618266|3.146257|3.571660|4.076659|6.984071|0.147870|0.183004|4.086985|3.583142|2.034214|3.537575|1.819156|1.633500|1.486205|1.357742|1.256270|1.271962|1.406630|8.177583|6.779585|7.898827|13.771583|36.858105| |3.510529|3.929680|0.106404|3.212740|4.362276|3.023529|5.088622|2.873617|0.076553|2.396569|3.218523|2.729075|3.317346|3.543564|3.916969|7.145312|0.146066|0.187729|4.605069|4.039047|2.062106|3.581873|1.831781|1.634696|1.482649|1.349965|1.250420|1.275731|1.416176|9.383971|7.856730|6.878994|7.978327|13.723363|36.858105| |4.375283|5.182830|0.132898|4.106412|5.513805|3.641446|5.961182|3.346041|0.089704|2.681074|3.503542|2.964680|3.764021|3.885526|3.980802|7.088813|0.132012|0.190830|4.894079|4.737845|2.196890|3.751084|1.954181|1.717114|1.558269|1.404482|1.304387|1.343033|1.500000|14.533808|13.594431|7.954535|6.905938|7.921903|13.775780|36.858105| |3.833872|4.445496|0.108279|3.983409|5.486419|3.440814|5.397908|3.258833|0.092418|2.589020|3.382987|2.872497|3.537833|3.337126|3.314147|5.739092|0.107585|0.136611|4.596205|4.682789|2.125795|3.637746|1.892586|1.664449|1.512138|1.363913|1.271783|1.320988|1.476100|11.743308|7.000945|4.759847|4.236698|4.767734|7.065061|10.960363|448.794386| |17.567052|8.855040|0.212311|6.857425|6.259831|4.022766|7.681370|3.063004|0.079897|2.651893|3.116757|2.306379|2.801546|2.941160|2.577837|3.546393|0.065554|0.081701|2.478624|2.797804|1.993770|3.238249|1.928473|1.681263|1.603935|1.427535|1.369925|1.434669|1.579875|10.078981|4.604214|4.484847|3.450605|2.930867|2.962536|3.537701|25.431279|0.500000| |17.573458|8.844500|0.173340|6.895129|6.328043|3.761687|6.586872|2.981270|0.080548|2.501199|2.998772|2.283544|2.783840|2.817092|2.529157|3.647354|0.067665|0.084957|2.618932|2.946801|1.910828|3.140349|1.816849|1.589724|1.502892|1.344674|1.286140|1.348979|1.487269|12.639412|5.359582|4.594350|3.544355|3.161403|3.380027|4.245412|32.129815|0.300282|0.500000| |17.583153|8.799312|0.210361|5.489417|5.593055|3.638344|6.733518|2.905484|0.075725|2.477211|3.013093|2.301985|2.823674|3.035237|2.778493|3.965871|0.074030|0.094635|2.698438|2.934132|1.928597|3.184976|1.826706|1.606066|1.514374|1.359489|1.293360|1.340739|1.475455|12.486450|6.355239|6.367482|4.634739|3.806602|3.805518|4.596360|30.370992|0.301910|0.301624|0.500000| |6.971595|8.875092|0.175217|17.613067|12.632113|5.771708|8.902943|4.252904|0.120001|3.337295|3.803932|2.872701|3.599749|3.343684|2.813518|4.003738|0.071838|0.090460|3.057652|3.785643|2.341957|3.760652|2.214275|1.880397|1.760089|1.543302|1.470092|1.569558|1.765906|12.900094|4.812180|3.907975|3.064368|2.815384|3.101450|3.982770|33.353238|0.171578|0.209289|0.141861|0.500000| |6.905472|8.927613|0.217299|17.614501|12.476565|7.038335|12.626723|4.569864|0.119572|3.767712|4.093244|2.946791|3.681177|3.593056|2.902912|3.899092|0.069741|0.087160|2.863244|3.521267|2.519738|3.960290|2.443376|2.049366|1.938600|1.679692|1.605216|1.716146|1.936629|10.275235|4.262495|3.852071|3.010959|2.656332|2.778937|3.395695|26.141224|0.205633|0.170075|0.141027|0.301722|0.500000| |4.326448|6.112710|0.150188|9.051133|26.106547|9.393734|10.879362|7.466586|0.235764|4.841321|5.350584|4.184295|5.639990|4.495206|3.548948|5.041372|0.086759|0.109703|4.167913|6.039850|3.084616|4.864288|2.791266|2.285171|2.070705|1.782060|1.665066|1.787595|2.068889|11.162153|4.649598|3.766439|3.051606|2.876625|3.216849|4.092652|35.262194|0.109089|0.118040|0.101637|0.234475|0.184759|0.500000| |2.530514|3.088682|0.090464|3.629779|6.481681|6.259508|9.846309|8.778607|0.226185|17.590321|12.249591|5.997727|5.700490|4.556670|3.438586|4.141813|0.073639|0.081436|3.279342|4.200702|6.660481|8.508869|6.593748|4.342199|3.735090|2.885323|2.605537|2.908445|3.752602|5.218406|2.654082|2.522082|2.236363|2.093845|2.167241|2.424908|19.261734|0.069902|0.066219|0.064099|0.089977|0.101054|0.127665|0.500000| |2.772729|3.443369|0.107112|3.827673|6.607009|7.259310|13.732286|8.795824|0.175846|17.617968|12.267871|6.078438|6.429429|6.117879|4.210677|4.702678|0.082469|0.093024|3.468801|4.318447|6.511535|8.403335|6.311826|4.258306|3.666324|2.860354|2.553176|2.726437|3.406105|5.670561|2.946110|2.913228|2.564691|2.331146|2.347933|2.607117|19.677781|0.077056|0.070205|0.071090|0.090418|0.107892|0.120332|0.301888|0.500000| |2.292414|2.804149|0.080518|3.010721|5.273212|4.455126|6.686657|6.809300|0.198385|6.367835|12.337204|17.504859|8.756793|5.506649|4.780508|6.094429|0.107041|0.108190|5.742677|7.162501|6.583004|11.320211|4.483513|3.562953|2.841622|2.413729|2.104334|2.210063|2.690365|5.315681|2.889787|2.681582|2.487802|2.461226|2.620740|2.853844|23.147598|0.060290|0.060942|0.060183|0.077648|0.077016|0.114832|0.152535|0.135587|0.500000| |2.248501|2.732117|0.081256|2.794434|4.684950|4.112758|6.668652|5.697542|0.141377|5.820828|12.488778|17.641023|8.596452|7.088671|6.706686|7.270339|0.128327|0.121362|5.948836|6.200219|7.346381|13.920457|4.683990|3.817494|2.966654|2.540904|2.166652|2.204593|2.660500|5.133791|2.910928|2.833467|2.696498|2.635458|2.699932|2.841035|21.676427|0.059359|0.058651|0.060211|0.070594|0.072438|0.096466|0.129493|0.139572|0.303581|0.500000| |2.876768|3.630756|0.118060|3.551808|5.840228|5.806947|10.905724|6.690425|0.137340|6.708506|9.471618|7.090457|8.750513|17.599597|8.985036|7.630370|0.127041|0.143836|4.880477|5.503507|5.298531|8.208399|4.304793|3.409773|2.865346|2.416367|2.121883|2.153844|2.554005|6.403941|3.637060|3.796631|3.443511|3.078661|2.994333|3.220295|22.608167|0.076861|0.071512|0.077192|0.084008|0.093946|0.108414|0.135153|0.206657|0.141203|0.193045|0.500000| |3.777482|5.188122|0.178640|4.692157|7.668694|7.378472|13.487113|6.865769|0.143303|5.377321|6.715189|5.496424|8.748436|17.599187|8.950080|9.413070|0.144835|0.206600|5.638468|6.702642|3.805081|6.070236|3.256246|2.664679|2.333641|2.009758|1.815427|1.863808|2.162226|9.382163|5.398750|5.632538|4.650119|3.957288|3.878967|4.400478|28.928795|0.097156|0.091258|0.101258|0.106474|0.117440|0.136286|0.116654|0.156782|0.122792|0.141208|0.305813|0.500000| |2.414739|2.919604|0.089229|2.770924|4.389432|3.745607|6.432205|4.391535|0.105847|4.104250|6.691367|6.464874|6.615308|8.709189|17.637533|12.437648|0.223818|0.180840|6.994491|5.723844|4.246285|7.785784|3.298728|2.868413|2.386955|2.118705|1.848000|1.843681|2.135444|5.619530|3.435557|3.544286|3.554612|3.460432|3.366001|3.362745|23.576785|0.062848|0.061883|0.066749|0.069300|0.071167|0.087687|0.093375|0.110840|0.143049|0.233433|0.212853|0.173435|0.500000| |2.773951|3.355335|0.106964|2.997413|4.537117|3.847118|6.996443|4.027171|0.095067|3.671442|5.342084|4.576968|5.441540|8.795511|17.629224|12.379860|0.223507|0.223504|5.593541|4.890342|3.392615|5.910971|2.854019|2.494760|2.162784|1.928819|1.717041|1.711700|1.950378|6.390354|4.114951|4.663768|4.809553|4.334834|3.894441|3.821377|24.650054|0.071833|0.069219|0.078577|0.073517|0.077160|0.087332|0.084421|0.105204|0.105248|0.140418|0.212321|0.218739|0.301456|0.500000| |2.396409|2.907182|0.083329|2.842706|4.617808|3.626101|5.707947|4.412157|0.118978|3.729866|5.915640|6.449365|6.654191|5.736647|7.008847|12.431856|0.223301|0.180907|17.619539|8.732216|3.654134|6.751526|2.854723|2.485288|2.094752|1.871480|1.660731|1.693364|1.956246|5.979432|3.588762|3.328006|3.275704|3.462273|3.768222|3.858566|29.859136|0.060989|0.063589|0.065305|0.073966|0.070481|0.099307|0.089451|0.093056|0.179287|0.196526|0.128929|0.131715|0.211995|0.143975|0.500000| |2.723139|3.315411|0.091744|3.145475|4.966939|3.623227|5.630268|4.034809|0.111598|3.230812|4.673512|4.549219|5.447222|4.879236|5.590626|12.370910|0.223610|0.223616|17.636715|8.787524|2.886993|5.138304|2.389902|2.089773|1.818541|1.633551|1.479129|1.518218|1.729526|7.371329|4.594740|3.954275|3.873015|4.349324|5.275257|5.511655|44.125211|0.067297|0.073277|0.074696|0.083535|0.075505|0.109148|0.079415|0.082121|0.127953|0.125295|0.107598|0.126869|0.143864|0.126635|0.300741|0.500000| |3.709692|5.125321|0.139677|5.108075|9.288520|6.486719|8.880955|6.908711|0.186482|4.531965|5.849298|5.463245|8.800407|6.733286|5.669664|9.462887|0.145323|0.208466|8.942173|17.567741|3.317606|5.483669|2.787575|2.320091|2.033390|1.775393|1.620233|1.693253|1.957645|11.757037|6.181386|4.837183|4.048615|3.981456|4.645019|5.985203|47.238306|0.090249|0.097793|0.096249|0.128690|0.114087|0.209993|0.108187|0.112894|0.145360|0.130531|0.138055|0.193873|0.131874|0.127675|0.173454|0.217634|0.500000| |2.826608|3.591443|0.098335|3.827409|6.922249|5.110684|7.113488|6.736891|0.214539|4.740356|6.697850|6.961072|8.782345|5.499122|4.882428|7.640977|0.127177|0.144286|8.993940|17.566066|3.780313|6.390091|3.041407|2.525704|2.164523|1.886766|1.704902|1.792205|2.097610|7.460822|3.981832|3.383354|3.043717|3.090950|3.530892|4.103927|35.697746|0.071411|0.076374|0.073599|0.100968|0.091169|0.166260|0.116558|0.109754|0.221617|0.157228|0.123083|0.137543|0.128509|0.107697|0.213240|0.212740|0.303986|0.500000| |1.938730|2.250734|0.066098|2.491495|4.042078|3.561195|6.151011|4.403146|0.117093|6.602904|9.494587|4.660647|3.836952|3.408644|2.857143|3.391127|0.062796|0.065230|2.627736|3.033610|8.986080|11.081409|17.523994|8.799319|6.764262|4.475016|3.777928|4.335340|6.678731|3.863090|2.049035|2.003033|1.848720|1.753058|1.783512|1.921480|15.178833|0.053923|0.051054|0.050466|0.063625|0.069962|0.080863|0.216781|0.168070|0.121919|0.115626|0.105941|0.085130|0.082185|0.072145|0.075325|0.064493|0.076739|0.084762|0.500000| |2.047887|2.385169|0.072113|2.568548|4.099503|3.760745|6.939590|4.450104|0.108808|6.859522|9.686964|4.680213|4.030813|3.924794|3.230191|3.648707|0.067388|0.070286|2.699486|3.061555|8.931782|10.864786|17.514403|8.808081|6.864025|4.533757|3.739607|3.940018|5.468735|4.036130|2.170107|2.178301|2.013888|1.875607|1.870396|2.000432|15.322000|0.057299|0.052955|0.053771|0.064093|0.072794|0.079250|0.184899|0.214602|0.112173|0.121483|0.131904|0.097522|0.092380|0.083279|0.076660|0.065394|0.078111|0.081643|0.304690|0.500000| |1.657415|1.882687|0.056113|1.968646|3.053003|2.629539|4.740380|3.071334|0.079100|3.943127|6.476572|3.780385|3.091052|3.057218|2.805161|3.221650|0.061752|0.060797|2.381713|2.526142|6.962506|12.432205|8.898784|17.554583|8.857385|6.867306|4.541745|4.173208|5.425709|3.280154|1.813277|1.831973|1.753603|1.669954|1.656025|1.722251|13.250303|0.045937|0.043362|0.044349|0.050373|0.054849|0.060653|0.106079|0.111519|0.095507|0.109229|0.098283|0.075052|0.084833|0.073373|0.070346|0.058497|0.063565|0.068405|0.173623|0.210191|0.500000| |1.596706|1.812227|0.053072|1.931693|3.024622|2.554521|4.461700|3.045666|0.081834|3.881846|6.366550|3.736626|2.984459|2.780496|2.536198|3.024130|0.057848|0.057186|2.318178|2.497134|6.884105|12.452445|8.880384|17.557545|8.846247|6.772488|4.674037|4.722717|6.734987|3.178718|1.736519|1.720000|1.636944|1.576813|1.589625|1.666077|13.117166|0.044131|0.042265|0.042399|0.050102|0.053604|0.061246|0.111091|0.102996|0.100363|0.103810|0.085641|0.068717|0.076198|0.065108|0.068813|0.057538|0.062562|0.069820|0.211969|0.173498|0.305006|0.500000| |1.649881|1.845111|0.054940|1.960917|2.976490|2.548836|4.730746|2.809281|0.072667|3.625494|5.085855|2.951036|2.627890|2.612948|2.321822|2.728801|0.052024|0.053107|2.005057|2.180564|4.575276|7.155519|6.899619|8.888305|17.462289|8.924971|7.031129|6.676381|8.860615|3.122440|1.694685|1.714588|1.616737|1.519179|1.505195|1.583463|12.216037|0.046645|0.043135|0.043775|0.050158|0.056205|0.058222|0.104038|0.108277|0.075634|0.080359|0.083232|0.067441|0.066826|0.061966|0.057255|0.050163|0.056822|0.059152|0.169210|0.208430|0.212321|0.173888|0.500000| |1.395008|1.539343|0.045457|1.604940|2.404538|2.000747|3.655985|2.204977|0.058074|2.661064|3.934872|2.462897|2.166635|2.169670|2.031794|2.422929|0.047223|0.046754|1.777301|1.864946|3.554480|6.280566|4.409101|6.483962|8.669927|17.552211|8.669936|5.605685|5.639359|2.655417|1.466227|1.488627|1.434216|1.367298|1.349934|1.395356|10.789363|0.039113|0.036739|0.037482|0.041620|0.045359|0.047725|0.074522|0.076570|0.064543|0.069853|0.067477|0.055716|0.059791|0.054724|0.051625|0.044954|0.048345|0.050897|0.108735|0.118576|0.193722|0.159436|0.216435|0.500000| |1.362442|1.507600|0.044031|1.590403|2.405110|1.981526|3.541595|2.223769|0.059874|2.678640|4.012319|2.517094|2.169322|2.100941|1.962772|2.380648|0.046321|0.045783|1.786067|1.886154|3.685131|6.622516|4.551866|6.986882|8.837445|17.502526|8.796540|6.649477|6.927436|2.620718|1.438206|1.439982|1.383035|1.330743|1.329352|1.380091|10.833229|0.038026|0.036170|0.036423|0.041600|0.044692|0.048367|0.076917|0.074384|0.067792|0.070576|0.064113|0.053693|0.057982|0.052007|0.052242|0.045347|0.048581|0.052403|0.118747|0.112595|0.178025|0.208466|0.174561|0.302158|0.500000| |1.356796|1.478129|0.043403|1.558566|2.300203|1.891229|3.485326|2.022199|0.053731|2.415211|3.354555|2.100836|1.917884|1.909592|1.757888|2.132503|0.041375|0.041856|1.567575|1.670393|2.846686|4.791199|3.590360|4.440630|6.724886|8.843030|17.541304|8.757304|6.188669|2.511418|1.369589|1.386126|1.322428|1.253839|1.241433|1.293813|10.061614|0.038500|0.035848|0.036242|0.040609|0.044749|0.045433|0.069771|0.070266|0.055579|0.057845|0.058656|0.050301|0.050441|0.047583|0.044722|0.040091|0.044120|0.045782|0.096623|0.101214|0.116510|0.110956|0.196116|0.218857|0.174335|0.500000| |1.252657|1.362937|0.039667|1.438637|2.129440|1.728829|3.129943|1.870560|0.050503|2.198754|3.115437|1.988179|1.791404|1.755967|1.637184|2.011965|0.039251|0.039312|1.496357|1.583824|2.662724|4.619081|3.238073|4.103739|5.659711|8.690838|17.574495|8.643855|5.712035|2.341890|1.279536|1.285449|1.232427|1.180562|1.175875|1.221860|9.594441|0.035316|0.033338|0.033491|0.037829|0.040940|0.042571|0.063843|0.062260|0.053592|0.054981|0.053130|0.046005|0.047368|0.044017|0.043039|0.038483|0.041623|0.043897|0.088755|0.086595|0.106582|0.111898|0.140637|0.196086|0.217661|0.303495|0.500000| |1.420579|1.549677|0.045036|1.672129|2.479357|2.023157|3.683103|2.159706|0.058431|2.594957|3.475278|2.148936|1.976292|1.912587|1.724408|2.121297|0.040779|0.041901|1.585845|1.726828|2.875358|4.680840|3.705599|4.172460|6.081317|5.796985|8.717228|17.570581|8.692364|2.616408|1.403673|1.400536|1.318762|1.251348|1.253320|1.322961|10.431076|0.040464|0.037782|0.037498|0.043838|0.048367|0.049191|0.078451|0.074247|0.057755|0.057483|0.057949|0.050771|0.048917|0.046105|0.044891|0.040714|0.045870|0.047942|0.109431|0.102725|0.100207|0.107781|0.166085|0.128860|0.136534|0.226922|0.187518|0.500000| |1.335760|1.460505|0.042145|1.574258|2.352103|1.901579|3.394356|2.071779|0.056940|2.461089|3.405525|2.137055|1.924157|1.832880|1.673978|2.077492|0.040123|0.040737|1.572347|1.700343|2.873654|4.822374|3.594658|4.252360|5.809135|6.183798|8.707590|17.571653|8.734976|2.501185|1.346904|1.334793|1.264202|1.211959|1.220789|1.284179|10.217147|0.037703|0.035748|0.035329|0.041602|0.044948|0.047321|0.074425|0.068330|0.058519|0.057503|0.054924|0.048156|0.048022|0.044405|0.044984|0.040483|0.044757|0.047764|0.107087|0.093633|0.100650|0.119503|0.137381|0.129513|0.167709|0.177319|0.222817|0.304405|0.500000| |1.525594|1.704475|0.049327|1.856524|2.858342|2.359999|4.140847|2.687159|0.074075|3.355757|4.783627|2.858366|2.469468|2.286801|2.049195|2.514686|0.048008|0.048778|1.931985|2.125206|4.277991|6.946398|5.841380|7.072858|8.826435|6.705318|6.134897|8.751688|17.512663|2.936531|1.574644|1.548416|1.456759|1.397249|1.416239|1.500388|11.966825|0.042721|0.040702|0.040125|0.048685|0.052521|0.057811|0.104162|0.090360|0.078536|0.075711|0.069032|0.058854|0.059309|0.053303|0.055736|0.049011|0.054941|0.060111|0.188700|0.136594|0.143170|0.211211|0.174877|0.136677|0.191186|0.135002|0.141166|0.178077|0.228371|0.500000| |1.666866|1.863564|0.054328|2.049799|3.141356|2.634255|4.729377|2.918029|0.078846|3.755777|4.960818|2.875601|2.581705|2.426488|2.117917|2.575162|0.048721|0.050550|1.952011|2.183297|4.203955|6.387522|6.160335|6.246982|8.653273|5.683842|5.743142|8.658907|17.551718|3.145378|1.669885|1.649904|1.534341|1.452242|1.465511|1.565400|12.379564|0.047215|0.044168|0.043556|0.053188|0.059075|0.062350|0.119572|0.105635|0.076903|0.074771|0.074266|0.063465|0.060099|0.055510|0.055293|0.049382|0.057302|0.060880|0.207121|0.164133|0.132092|0.153989|0.219057|0.125090|0.139071|0.143351|0.124961|0.223702|0.186737|0.303104|0.500000| 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