Version2.1 2021-01-09T01:43:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC(C)(C)n1c(nnn1)[C@@H](C(C)C)[NH+](CCO)Cc2cc3cc(c(cc3[nH]c2=O)C)C C13498930 RHF 6-31G(d) (6D,7F) CCC(C)(C)n1c(nnn1)[C@@H](C(C)C)[NH+](CCO)Cc2cc3cc(c(cc3[nH]c2=O)C)C C01[X(C24H37N6O2)] 201 C1 554 OCC[NH+]([C@@H](c1nnnn1C(CC)(C)C)C(C)C)Cc1cc2cc(C)c(cc2[nH]c1=O)C OCC[NH+]([C@@H](c1nnnn1C(CC)(C)C)C(C)C)Cc1cc2cc(C)c(cc2[nH]c1=O)C CCC(C)(C)n1nnnc1[C@@H](C(C)C)[NH+](CCO)CC2=Cc3cc(C)c(C)cc3NC2=O InChIKey=SBKMSPHNNKWITP-OAQYLSRUSA-O InChI=1S/C24H36N6O2/c1-8-24(6,7)30-22(26-27-28-30)21(15(2)3)29(9-10-31)14-19-13-18-11-16(4)17(5)12-20(18)25-23(19)32/h11-13,15,21,31H,8-10,14H2,1-7H3,(H,25,32)/p+1/t21-/m1/s1 InChI=1/C24H36N6O2/c1-8-24(6,7)30-22(26-27-28-30)21(15(2)3)29(9-10-31)14-19-13-18-11-16(4)17(5)12-20(18)25-23(19)32/h11-13,15,21,31H,8-10,14H2,1-7H3,(H,25,32)/p+1/t21-/m1/s1/fC24H37N6O2/h25,29H/q+1 CCC(C)(C)n1c(nnn1)[C@@H](C(C)C)[NH+](CCO)Cc2cc3cc(c(cc3[nH]c2=O)C)C C01[X(C24H37N6O2)] 201 C01 554 OCC[NH+]([C@@H](c1nnnn1C(CC)(C)C)C(C)C)Cc1cc2cc(C)c(cc2[nH]c1=O)C OCC[NH]([C@@H]([C]1[N][N][N][N]1C(CC)(C)C)C(C)C)CC1=[CH][C]2[CH][C]([C]([CH][C]2NC1=O)C)C CCC(C)(C)N1[N][N][N][C]1[C@@H](C(C)C)[NH](CCO)CC2=C[C]3[CH][C](C)[C](C)[CH][C]3NC2=O InChIKey=ZKFSDZDFBWYJHI-OAQYLSRUSA-N InChI=1S/C24H37N6O2/c1-8-24(6,7)30-22(26-27-28-30)21(15(2)3)29(9-10-31)14-19-13-18-11-16(4)17(5)12-20(18)25-23(19)32/h11-13,15,21,29,31H,8-10,14H2,1-7H3,(H,25,32)/t21-/m1/s1 InChI=1/C24H37N6O2/c1-8-24(6,7)30-22(26-27-28-30)21(15(2)3)29(9-10-31)14-19-13-18-11-16(4)17(5)12-20(18)25-23(19)32/h11-13,15,21,29,31H,8-10,14H2,1-7H3,(H,25,32)/t21-/m1/s1/f/h25H 3505.3772894517 -1406.5678482 1-A 15647.6124 119 435 554 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0.02750 0.99961 1 0.00884 0.00411 0.00361 0.18412 0.08561 0.07518 16.89 27.39 44.48 56.41 82.35 98.43 107.78 124.15 131.96 148.29 155.26 171.12 189.52 195.36 211.50 226.91 246.85 268.47 283.74 291.24 331.16 336.39 343.57 355.59 378.95 383.61 398.18 410.12 434.91 443.30 462.99 467.38 484.91 494.83 505.42 514.99 539.89 563.99 567.29 582.49 597.45 610.83 632.95 655.71 664.31 693.52 715.69 738.06 746.53 776.76 806.19 854.22 908.97 940.81 954.95 957.04 1000.30 1020.61 1048.28 1130.63 1160.51 1164.51 1171.19 1178.44 1207.85 1238.82 1243.98 1261.66 1279.21 1299.53 1313.19 1375.31 1399.59 1413.97 1443.40 1448.27 1460.95 1473.67 1474.67 1487.73 1510.47 1515.29 1565.60 1582.52 1583.79 1586.78 1596.11 1619.66 1647.85 1654.24 1666.96 1689.06 1693.84 1700.75 1733.37 1741.71 1751.86 1763.67 1777.70 1804.90 1821.83 1842.39 1848.76 1870.68 1882.02 1893.63 1913.76 1926.71 1941.09 1975.91 1985.06 2002.84 2025.98 2036.18 2043.02 2060.04 2073.24 2082.07 2099.71 2115.50 2145.74 2161.72 2168.03 2185.07 2196.45 2225.51 2247.18 2248.80 2252.46 2259.98 2264.32 2271.97 2279.26 2282.55 2294.34 2297.29 2307.09 2318.13 2329.95 2332.92 2337.88 2339.28 2341.33 2352.79 2354.80 2355.48 2357.69 2360.80 2367.10 2369.79 2375.86 2377.74 2382.92 2386.72 2388.89 2391.97 2399.92 2401.25 2452.19 2481.08 2539.25 2602.02 2640.08 2753.00 4619.69 4622.57 4627.81 4637.93 4644.99 4648.15 4662.77 4671.29 4683.97 4684.43 4699.41 4709.35 4710.26 4720.53 4731.54 4736.20 4736.61 4744.45 4751.02 4752.46 4759.25 4764.61 4774.17 4775.94 4783.54 4792.94 4802.94 4823.76 4835.22 4841.33 4847.13 4852.96 4870.97 4929.78 5268.52 5518.29 5918.18 0.647278 0.678333 0.679277 0.584507 -1405.920570 -1405.889515 -1405.888571 -1405.983341 3.178601D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE CCC(C)(C)n1c(nnn1)[C@@H](C(C)C)[NH+](CCO)Cc2cc3cc(c(cc3[nH]c2=O)C)C C13498930 RHF 6-31G(d) (6D,10F) C1 441.297800 |X|Y|Z| 61.285551 46.335420 98.715181 65.446292 18 6 7 12 6 |36.858105| |12.435693|36.858105| |7.320335|12.311320|36.858105| |6.112078|7.520358|12.436983|36.858105| |6.174426|7.532702|12.450109|7.544010|36.858105| |4.914861|7.737976|12.598340|7.726361|7.691087|53.358707| |3.689536|5.017706|7.225279|5.921007|5.933572|19.289889|36.858105| |3.193112|4.251584|5.236416|4.444907|4.399940|12.112068|14.728239|53.358707| |3.512287|4.894579|5.414906|4.371460|4.291144|12.361165|9.066887|19.521523|53.358707| |4.563251|7.207347|7.756807|5.526318|5.409952|19.495616|8.928120|12.238901|20.729472|53.358707| |3.180750|3.944472|5.610945|5.312608|5.403323|9.990641|12.628441|10.641815|7.315081|7.159082|36.858105| |3.445092|4.153600|6.245671|6.277781|6.434966|9.382064|8.916326|7.832241|6.128384|6.471011|17.713370|0.500000| |2.714826|3.246951|4.229769|3.834294|4.512642|7.076994|7.476372|8.450343|6.104461|5.730702|12.190354|0.244566|36.858105| |2.896709|3.454195|4.396919|3.677237|5.174220|7.047694|6.405023|7.353626|5.914065|5.806969|7.462820|0.186391|12.418867|36.858105| |2.333568|2.773343|3.381495|3.104668|3.429558|5.764576|5.890584|8.290349|5.946860|5.165338|7.271383|0.150898|12.399884|7.575687|36.858105| |2.740647|3.286113|4.320331|4.580777|3.952496|7.242321|7.708146|8.704454|6.251580|5.855402|12.508307|0.253640|7.510900|4.890995|6.340020|53.358707| |2.509496|3.013749|3.786912|3.849011|3.471162|6.552101|7.034202|9.386838|6.474498|5.681755|9.293707|0.182737|7.232838|4.707567|7.497734|25.636090|0.500000| |2.880505|3.461150|4.430380|5.144445|3.721302|7.224685|6.651568|7.902114|6.297624|6.063798|7.406765|0.183104|4.866478|3.731960|4.381447|17.143517|0.265792|36.858105| |2.383863|2.772727|3.302872|3.730472|2.868639|5.218751|4.565625|6.110263|5.127220|4.767174|4.925348|0.123130|3.839282|3.022282|3.794475|10.414802|0.212809|12.499883|36.858105| |2.187077|2.559713|3.004246|3.187130|2.674382|4.917966|4.485179|6.518561|5.280253|4.641247|4.806476|0.113267|4.056706|3.130711|4.399499|9.872339|0.255874|8.129496|13.564682|73.516695| |2.390497|2.730771|3.467198|3.770417|3.377360|5.282233|4.946602|5.839973|4.590090|4.408031|7.491176|0.196705|6.264203|4.256720|5.392160|17.003286|0.259884|7.525095|6.265050|10.505967|36.858105| |2.481756|2.745812|3.513916|3.998930|3.550185|4.938263|4.263080|4.837750|4.016666|4.042591|6.119559|0.196810|5.141505|3.918279|4.124437|10.031010|0.156241|5.847732|4.786053|7.479102|12.639534|36.858105| |2.409098|2.613130|3.308633|3.608388|3.572251|4.517921|3.797796|4.322610|3.653228|3.713742|5.318265|0.177058|5.069340|4.109332|3.937996|7.338049|0.123516|4.290512|3.608400|5.938438|7.609839|14.125962|36.858105| |2.335705|2.443328|3.006777|3.329738|3.303361|3.915988|3.118088|3.600808|3.160884|3.272585|3.986969|0.132760|3.796562|3.367509|3.071290|5.373079|0.093661|3.449332|2.986775|4.859073|4.962670|7.790449|13.273162|36.858105| |2.184151|2.247159|2.694913|2.870785|3.058209|3.483575|2.728047|3.204644|2.856942|2.961394|3.359031|0.108713|3.383807|3.182158|2.784975|4.356075|0.078690|2.807393|2.473452|4.129622|3.807943|5.097636|7.616617|13.554533|36.858105| |2.056206|2.065015|2.408306|2.580281|2.709870|3.061491|2.339819|2.787590|2.537362|2.646757|2.760702|0.087899|2.742771|2.642674|2.324537|3.611328|0.066155|2.418113|2.168434|3.605055|3.054140|3.910011|5.073215|7.849712|13.908115|36.858105| |2.053629|2.037575|2.353788|2.601266|2.575124|2.958574|2.233366|2.667835|2.451136|2.570087|2.590457|0.082418|2.484022|2.364635|2.131041|3.471805|0.063339|2.407276|2.178707|3.553854|2.915875|3.767565|4.509030|6.826387|7.947934|13.416692|36.858105| |2.175103|2.176587|2.547699|2.920119|2.712253|3.202560|2.426619|2.876912|2.629414|2.759809|2.839917|0.091273|2.628711|2.434156|2.246898|3.912155|0.070190|2.766330|2.496675|3.975389|3.335117|4.523514|5.140807|7.901419|6.891977|7.858499|13.834929|36.858105| |2.328170|2.394352|2.896988|3.362504|3.064972|3.701134|2.874256|3.349123|2.995071|3.126541|3.514146|0.115586|3.186605|2.844266|2.662236|4.928727|0.085963|3.403393|3.001453|4.722890|4.411808|6.763290|7.877339|13.714574|7.919560|6.802460|7.912430|13.659156|36.858105| |2.392250|2.496447|3.036467|3.681803|3.052510|3.932870|3.074237|3.586792|3.195148|3.322980|3.743353|0.121440|3.220721|2.785991|2.731182|5.603671|0.095861|4.084652|3.623255|5.443244|5.059837|7.945640|7.012161|8.008586|5.205923|4.558531|5.184166|7.872857|13.816046|53.358707| |2.308324|2.375530|2.817055|3.455424|2.779404|3.620967|2.776824|3.294181|2.987157|3.115145|3.246218|0.102787|2.797743|2.461223|2.429299|4.876888|0.085375|3.730682|3.423850|5.088807|4.198081|5.793128|5.129084|5.803439|4.271108|4.001275|4.781458|7.282120|9.244121|25.960387|0.500000| |2.458560|2.657089|3.307784|4.019393|3.222055|4.474981|3.644151|4.224754|3.657670|3.741975|4.633693|0.147489|3.799550|3.108630|3.219793|7.637867|0.124802|5.562826|4.824117|6.962647|7.468376|12.953339|7.836694|6.697539|4.483360|3.747002|3.929512|5.147176|7.803137|19.052031|0.265217|36.858105| |2.403331|2.615860|3.187426|3.935901|2.968379|4.393941|3.557974|4.242629|3.710759|3.762255|4.277855|0.128552|3.440847|2.822200|3.043976|7.527225|0.126580|6.336767|5.974003|7.889142|6.655326|8.060032|5.370978|4.700943|3.491431|3.047547|3.229743|4.092582|5.402762|11.590218|0.220390|15.752213|73.516695| |1.876378|1.830813|2.058006|2.255148|2.231908|2.578759|1.920587|2.328831|2.172239|2.279971|2.164565|0.067531|2.084410|2.016335|1.825995|2.902965|0.053808|2.049727|1.884933|3.091389|2.376978|2.918797|3.322776|4.430954|5.035490|7.499499|12.626517|7.636922|5.032268|5.276841|0.105835|3.080964|4.738684|36.858105| |1.880656|1.873145|2.135916|2.227360|2.423555|2.725874|2.067955|2.502419|2.302236|2.395343|2.382152|0.074099|2.429738|2.413673|2.100673|3.078869|0.057553|2.064466|1.871837|3.163637|2.538459|3.059943|3.806498|4.997512|7.607308|12.607298|7.471100|4.998842|4.418441|4.557037|0.084597|2.902312|4.373871|6.444270|36.858105| |17.578000|8.917360|5.428099|4.685408|4.694145|5.639029|3.211884|3.938744|4.428331|5.614662|2.762536|0.081172|2.409843|2.570532|2.124422|3.307255|0.062865|2.563841|2.177520|3.587411|2.132333|2.187846|2.122778|2.061942|1.943970|1.845157|1.846073|1.943776|2.060283|2.883229|0.057247|2.175199|3.818759|1.708180|1.706823|0.500000| |17.582500|8.684041|6.520995|5.332482|6.732648|6.077813|3.481429|4.072976|4.366183|5.496497|3.100124|0.094613|2.720771|2.983459|2.312000|3.576466|0.066779|2.679641|2.226306|3.666886|2.335021|2.455163|2.441050|2.396039|2.281340|2.157681|2.133754|2.224465|2.360726|3.227089|0.063091|2.402400|4.098481|1.953184|1.991967|0.303710|0.500000| |17.576168|8.682253|6.567401|6.700518|5.455113|6.080765|3.478977|4.077012|4.378704|5.515703|3.094345|0.094579|2.600924|2.697390|2.235514|3.732042|0.068992|2.949040|2.446917|3.913072|2.422321|2.558628|2.462055|2.419002|2.238536|2.125054|2.160445|2.317902|2.466058|3.486595|0.069496|2.602416|4.549601|1.978652|1.923235|0.303649|0.301106|0.500000| |8.894092|17.599232|8.849185|5.509244|6.898442|9.814963|4.853158|5.853812|7.003504|10.302920|3.751686|0.106473|3.235527|3.581948|2.807125|4.189999|0.080224|3.139548|2.565289|4.328654|2.565613|2.538585|2.449109|2.278591|2.128224|1.953522|1.903691|2.005934|2.198307|3.080379|0.059573|2.410443|4.198805|1.717808|1.796484|0.216757|0.210822|0.172655|0.500000| |8.899501|17.609628|8.845303|6.939424|5.511900|9.753081|4.818539|5.848024|7.053542|10.431678|3.719100|0.105676|3.028042|3.108234|2.666235|4.418993|0.083729|3.572265|2.903298|4.728951|2.667850|2.637422|2.457292|2.286635|2.084479|1.921577|1.914325|2.063322|2.270013|3.283099|0.064475|2.595434|4.656205|1.728425|1.739912|0.218551|0.172814|0.209379|0.305695|0.500000| |6.841064|6.851202|8.836126|17.617755|6.865033|7.597086|4.494323|4.858393|4.847037|5.971029|4.235714|0.139723|3.284842|3.232806|2.696306|5.097296|0.089139|4.111791|3.180784|4.872871|3.280401|3.610453|3.369998|3.266198|2.866306|2.642315|2.708394|3.030984|3.380218|4.936780|0.096435|3.741886|6.431230|2.376531|2.285923|0.140640|0.168505|0.237326|0.140019|0.170205|0.500000| |4.635042|5.456743|8.727040|17.581465|6.870552|9.437354|6.264263|6.161284|5.633978|6.621676|6.452230|0.234311|4.373319|3.977967|3.419166|7.666478|0.123647|6.199653|4.231335|6.278718|4.669806|5.164719|4.495974|4.030528|3.325486|2.910995|2.928425|3.365014|4.057048|6.196757|0.114696|5.154540|8.681005|2.468667|2.447644|0.103702|0.119876|0.138334|0.122946|0.141318|0.304493|0.500000| |5.523196|6.888104|8.779413|17.574587|5.486679|9.585988|5.526191|6.054389|6.161678|7.701980|4.747306|0.143981|3.462445|3.247875|2.937391|6.033873|0.106033|5.469264|4.038700|5.981062|3.586878|3.666738|3.215967|2.956276|2.548736|2.313913|2.358285|2.662280|3.038411|4.656654|0.091464|3.802168|6.992454|2.072688|2.011502|0.125619|0.127332|0.171266|0.141967|0.208772|0.301624|0.300472|0.500000| |5.567723|6.870532|8.782500|5.486484|17.583743|9.560055|5.573687|5.975062|5.974761|7.431468|4.886644|0.149041|4.448782|5.603328|3.467625|4.867695|0.090424|3.302714|2.622470|4.470392|3.063404|3.124510|3.182565|2.931698|2.786372|2.481572|2.327625|2.407325|2.686265|3.609236|0.067413|2.801998|4.627418|2.043341|2.274730|0.125324|0.173492|0.129442|0.206323|0.141304|0.140101|0.140584|0.122801|0.500000| |4.673888|5.461659|8.726726|6.896621|17.607573|9.347781|6.236156|6.062301|5.513754|6.482602|6.579222|0.244349|5.470732|6.169585|3.860746|6.179979|0.107525|4.036960|3.059557|5.071113|3.960567|4.278683|4.428236|3.992149|3.642485|3.113633|2.899211|3.061430|3.565081|4.750567|0.085815|3.711894|5.869993|2.444561|2.728162|0.103982|0.138793|0.122366|0.140675|0.122915|0.171022|0.205988|0.140599|0.300804|0.500000| |6.980525|6.904431|8.860372|6.848862|17.621567|7.585800|4.496711|4.826148|4.791843|5.901593|4.271215|0.141380|3.685517|4.139299|2.902812|4.575930|0.082498|3.248112|2.580425|4.238531|2.997208|3.250343|3.325576|3.226101|3.044900|2.774926|2.668167|2.784453|3.058814|4.080680|0.076837|3.050437|4.982661|2.341281|2.497330|0.141771|0.239272|0.175297|0.169813|0.141069|0.204011|0.169187|0.140207|0.301482|0.304933|0.500000| |2.516182|2.905680|3.731755|3.547777|4.093177|5.779556|5.547534|6.361614|4.915855|4.735425|8.933890|0.224883|17.594369|9.028053|8.938620|9.293169|0.174532|4.482673|3.651297|6.733153|7.020340|6.059654|6.494148|4.543457|4.027652|3.134761|2.772972|2.919605|3.612641|4.837034|0.083855|4.169503|6.435395|2.281159|2.740121|0.062075|0.070763|0.067966|0.079394|0.075207|0.086851|0.115014|0.088464|0.109635|0.141550|0.096700|0.500000| |3.060182|3.771286|4.661632|3.689483|5.256770|7.962356|7.017133|8.586451|7.106775|6.873352|6.637990|0.159636|8.726496|17.582740|6.822896|6.119350|0.123754|3.618597|2.946056|5.466176|3.730322|3.389536|3.429320|2.891633|2.729834|2.331276|2.126444|2.196942|2.527159|3.425484|0.062839|2.803690|4.647086|1.843768|2.148178|0.076135|0.086706|0.077468|0.112786|0.094287|0.089237|0.106378|0.092024|0.168781|0.158644|0.114620|0.174474|0.500000| |2.529298|2.923939|3.539995|3.053559|4.130730|5.471359|4.764492|5.903114|4.928174|4.765406|5.467720|0.140117|8.874945|17.585469|7.037824|5.545830|0.112181|3.176187|2.686051|5.023245|3.773016|3.494490|3.769493|3.152143|3.079169|2.570799|2.267689|2.293757|2.641007|3.466424|0.062810|2.796497|4.513635|1.948534|2.401053|0.063401|0.072893|0.065719|0.084785|0.073914|0.076555|0.091058|0.076213|0.125162|0.132522|0.096980|0.219027|0.302808|0.500000| |3.184857|3.722792|4.867448|4.020853|6.445975|7.098638|5.864386|6.339194|5.379536|5.614529|6.843655|0.199679|8.710241|17.589893|5.483305|6.143022|0.114971|3.582632|2.866208|5.099550|4.052897|4.008975|4.366114|3.688702|3.536551|2.925386|2.592330|2.647157|3.082834|4.021723|0.072130|3.215644|5.090863|2.194542|2.662581|0.077029|0.093400|0.082248|0.105972|0.090200|0.099987|0.121152|0.095012|0.193458|0.232486|0.141277|0.214838|0.300633|0.303202|0.500000| |2.173451|2.551834|3.082899|2.951817|3.052146|5.151443|5.152461|7.335373|5.370480|4.663971|6.504845|0.138585|8.632384|5.468102|17.533841|9.487867|0.255577|4.713560|4.311325|9.432572|6.271478|4.396853|4.024740|3.094035|2.752963|2.299940|2.130036|2.271660|2.712834|3.860380|0.070147|3.422768|5.844101|1.822707|2.060524|0.055188|0.059347|0.058667|0.070607|0.069256|0.071474|0.091380|0.079005|0.083726|0.094998|0.073236|0.212012|0.138313|0.143455|0.121769|0.500000| |2.141048|2.491124|2.961399|2.712561|3.094743|4.831083|4.559659|6.362894|4.962949|4.413938|5.398177|0.123495|8.892516|7.094738|17.579382|6.492734|0.148658|3.532551|3.161317|6.420896|4.453616|3.624398|3.630529|2.906300|2.719821|2.279587|2.062094|2.136396|2.493276|3.404976|0.062046|2.868319|4.776202|1.777839|2.097649|0.054557|0.059632|0.056837|0.070770|0.066091|0.066975|0.082039|0.070998|0.088522|0.096276|0.074216|0.216977|0.173270|0.218332|0.143944|0.304824|0.500000| |2.396723|2.905264|3.467510|3.100016|3.407135|6.194874|6.367098|10.385333|7.194611|5.849962|6.540191|0.135250|8.724307|6.771171|17.637036|7.719135|0.191159|4.273226|3.725641|7.801658|4.500743|3.542877|3.331763|2.693935|2.457427|2.095985|1.946512|2.053812|2.396554|3.378458|0.062314|2.901081|4.996584|1.690090|1.909249|0.061129|0.065307|0.063105|0.083023|0.078478|0.074205|0.092112|0.082856|0.097542|0.102521|0.079547|0.173688|0.199024|0.169982|0.138314|0.301775|0.301574|0.500000| |3.155156|3.960368|5.029834|5.584585|3.952550|8.949001|8.118156|10.062732|8.140442|7.730928|7.158016|0.170080|4.704050|3.781950|4.306590|12.416542|0.225981|17.731513|8.955064|12.576766|5.561105|4.572776|3.637822|3.019261|2.538043|2.215990|2.198536|2.481550|2.965425|4.676770|0.088705|4.346531|8.503788|1.899895|1.924165|0.078250|0.079916|0.088465|0.099630|0.116950|0.119387|0.171796|0.174044|0.098472|0.114342|0.094137|0.114474|0.106370|0.088287|0.100087|0.123379|0.096162|0.123545|0.500000| |3.053600|3.573233|4.640805|6.004539|3.894236|6.857664|5.718772|6.436784|5.462374|5.590571|6.490706|0.185682|4.353301|3.488421|3.747091|12.192040|0.183427|17.744321|8.826768|10.348432|6.936500|6.472429|4.616780|3.816976|3.025290|2.619683|2.659312|3.137224|3.918709|6.726809|0.125757|6.931440|14.629174|2.245521|2.197158|0.074472|0.078795|0.089172|0.087540|0.101588|0.133919|0.217283|0.176673|0.092849|0.118050|0.096663|0.115987|0.092722|0.082806|0.096819|0.109267|0.086945|0.099951|0.299272|0.500000| |2.393003|2.773935|3.198361|3.645241|2.713106|4.985504|4.124129|5.646097|5.029586|4.721609|4.134357|0.105685|3.274877|2.697474|3.241897|7.655059|0.156351|8.996622|17.569641|16.384251|4.669247|3.894829|3.070671|2.639578|2.224436|1.987132|2.017205|2.303719|2.700376|4.409776|0.087548|4.091147|9.049374|1.772121|1.730840|0.061350|0.061239|0.068675|0.070867|0.082691|0.087076|0.110240|0.114435|0.069067|0.078378|0.068545|0.085793|0.074457|0.066888|0.071723|0.099161|0.076546|0.090860|0.227508|0.205603|0.500000| |2.218435|2.513584|2.978453|3.420162|2.662915|4.505535|3.846219|5.012189|4.282513|4.074345|4.346896|0.113855|3.525437|2.796631|3.441028|8.881896|0.172912|8.790549|17.641092|16.406219|6.527097|5.205979|3.814556|3.180276|2.591575|2.275689|2.311532|2.690365|3.264083|5.542252|0.107757|5.600385|13.451190|1.990694|1.944365|0.056302|0.058125|0.063858|0.064509|0.072212|0.083443|0.109455|0.100747|0.067356|0.079764|0.067704|0.097096|0.074335|0.070104|0.074678|0.109356|0.081788|0.091189|0.175146|0.219380|0.301709|0.500000| |1.999027|2.307258|2.639239|2.793035|2.366334|4.228594|3.707491|5.455677|4.632291|4.089261|3.883623|0.094214|3.421327|2.736276|3.766343|7.279035|0.178344|5.966164|9.714345|35.722531|4.752930|3.595752|2.935230|2.462418|2.120956|1.875081|1.857555|2.068245|2.416886|3.770232|0.073102|3.444162|6.984827|1.633387|1.659022|0.051769|0.052400|0.055977|0.061273|0.066951|0.068011|0.084478|0.082355|0.062286|0.069415|0.059368|0.090006|0.075069|0.069876|0.070014|0.124835|0.089103|0.105293|0.151391|0.130637|0.229044|0.220099|0.500000| |2.229743|2.538647|3.169330|3.290217|3.189897|4.870829|4.593684|5.610828|4.384636|4.142381|6.896003|0.173223|7.167207|4.633618|6.495957|12.379546|0.234633|5.604292|4.961029|9.236433|17.696465|8.929919|7.268411|4.719090|3.819590|3.022597|2.799057|3.091885|3.975916|5.776840|0.099112|5.577009|8.760795|2.293006|2.563186|0.055649|0.061193|0.061950|0.067603|0.068310|0.080699|0.109181|0.086239|0.082638|0.104194|0.078506|0.246905|0.109412|0.118132|0.118337|0.221259|0.151896|0.138934|0.127203|0.140941|0.107792|0.140226|0.120352|0.500000| |2.193943|2.482526|3.047854|3.359908|2.903830|4.621261|4.181270|5.216992|4.218332|4.006594|5.559990|0.144873|4.789729|3.487524|4.546983|12.430356|0.227732|7.293391|7.492866|12.414250|17.701239|8.926757|5.823431|4.252305|3.335100|2.770084|2.706729|3.121244|4.016546|6.525444|0.115321|7.112591|12.972249|2.247112|2.324754|0.055025|0.059048|0.062184|0.064757|0.068595|0.082303|0.112106|0.091915|0.073785|0.091453|0.072855|0.142872|0.087794|0.087991|0.092028|0.152467|0.107086|0.110061|0.146780|0.183622|0.147124|0.245449|0.158033|0.304595|0.500000| |2.326503|2.545666|3.201793|3.319213|3.544527|4.479857|3.844211|4.430115|3.699977|3.711255|5.471391|0.172894|5.947454|4.771225|4.511537|7.091192|0.124707|3.937173|3.344468|5.760285|7.011723|9.053282|17.704096|8.857438|7.034401|4.677587|3.939080|4.181680|5.642056|6.838494|0.110504|5.575229|7.609861|3.010245|3.745444|0.057267|0.066009|0.064893|0.067573|0.066075|0.085505|0.111188|0.082234|0.090435|0.122919|0.090204|0.238787|0.105905|0.125089|0.138748|0.125471|0.118786|0.102104|0.095455|0.111934|0.079227|0.095780|0.079262|0.219470|0.147247|0.500000| |2.131003|2.213461|2.649383|2.731166|3.058849|3.481908|2.757156|3.259598|2.889473|2.971905|3.412361|0.108333|3.626687|3.479195|2.975756|4.316174|0.079202|2.708759|2.387708|4.075049|3.732589|4.687099|7.002202|8.904585|17.700246|8.992205|5.639020|4.960609|5.647703|5.743157|0.098209|3.907172|5.573998|4.092237|7.066687|0.052887|0.062173|0.059760|0.059070|0.056775|0.074790|0.086814|0.067369|0.079197|0.101822|0.083387|0.122944|0.081260|0.096032|0.107535|0.080614|0.082469|0.072051|0.068734|0.079141|0.059473|0.068621|0.058116|0.108562|0.089728|0.213109|0.500000| |2.114942|2.095906|2.411981|2.804609|2.510277|3.021397|2.264459|2.710716|2.504676|2.633555|2.589530|0.082038|2.367499|2.195721|2.057059|3.618345|0.065399|2.639806|2.421336|3.816457|3.023695|3.945012|4.180952|5.634607|4.961599|5.601483|8.948730|17.714159|8.905946|9.769944|0.218111|4.744935|7.119822|7.093281|4.073418|0.052852|0.059563|0.063326|0.053378|0.055755|0.081804|0.088323|0.072322|0.061950|0.076944|0.072039|0.071642|0.055892|0.057377|0.065740|0.058027|0.054156|0.052852|0.066112|0.083759|0.062997|0.072877|0.055609|0.077055|0.080555|0.096461|0.107650|0.500000| |1.706748|1.676207|1.873282|2.027408|2.025179|2.380233|1.785574|2.187399|2.038171|2.121998|2.011317|0.061873|1.966693|1.901278|1.746011|2.713313|0.050821|1.904175|1.773154|2.938938|2.235101|2.692919|3.067250|3.970164|4.611033|6.690200|8.857866|5.932113|4.311636|4.652059|0.093079|2.799804|4.351762|17.558261|6.542786|0.043474|0.049256|0.049608|0.044031|0.044127|0.058679|0.061400|0.052174|0.052126|0.061463|0.058439|0.059971|0.048301|0.051598|0.056925|0.048591|0.047606|0.044825|0.049056|0.057247|0.046265|0.052118|0.043370|0.060660|0.059140|0.078751|0.108204|0.153937|0.500000| |1.856378|1.802268|2.010863|2.235560|2.141421|2.513770|1.862156|2.265946|2.124696|2.233228|2.078272|0.064569|1.972225|1.895347|1.740067|2.821928|0.052321|2.030280|1.881652|3.058398|2.296120|2.803072|3.078149|3.975865|4.188626|5.536266|8.853761|7.363880|4.786133|5.314187|0.111486|3.062702|4.802126|17.606222|4.729393|0.047100|0.053227|0.054909|0.046694|0.047628|0.065862|0.067656|0.057676|0.054227|0.064431|0.062508|0.059332|0.048574|0.050570|0.056929|0.048491|0.046767|0.045029|0.052272|0.062238|0.049521|0.055464|0.045059|0.060782|0.061059|0.076556|0.096076|0.228020|0.301781|0.500000| |1.925297|1.855089|2.067697|2.240527|2.272191|2.562150|1.887410|2.286027|2.147869|2.268836|2.102759|0.065706|2.032043|2.002487|1.773935|2.771271|0.051483|1.956445|1.785523|2.940232|2.225795|2.691492|3.063362|3.967433|4.609397|6.692668|8.854180|5.923442|4.306019|4.643785|0.092661|2.793717|4.337588|17.557336|6.549222|0.048718|0.056275|0.056281|0.048480|0.048311|0.066286|0.067248|0.056835|0.058010|0.068594|0.067168|0.061285|0.051074|0.053819|0.061085|0.048718|0.048116|0.045849|0.050942|0.059314|0.046852|0.051796|0.043118|0.059889|0.058046|0.078536|0.108152|0.153600|0.302721|0.301699|0.500000| |1.708648|1.702316|1.920523|2.008909|2.139223|2.473410|1.880546|2.303220|2.125035|2.197254|2.150006|0.065871|2.193315|2.158834|1.935715|2.828469|0.053358|1.912508|1.762630|2.988452|2.342378|2.780394|3.361718|4.281767|5.910347|8.820967|6.639492|4.572260|3.955960|4.201465|0.079508|2.680834|4.102167|6.512258|17.555601|0.043432|0.049904|0.048622|0.045423|0.044312|0.057127|0.060995|0.051063|0.056069|0.066053|0.060956|0.068311|0.053854|0.059958|0.065022|0.053237|0.053856|0.049041|0.049472|0.056318|0.045427|0.051163|0.043860|0.065805|0.060600|0.091630|0.153441|0.107560|0.213117|0.133288|0.174427|0.500000| |1.928271|1.890904|2.132036|2.215979|2.437203|2.679786|2.000868|2.419460|2.250488|2.361794|2.263036|0.070563|2.285211|2.310650|1.974070|2.894619|0.054131|1.965742|1.774993|2.990121|2.331890|2.779105|3.356754|4.278336|5.904950|8.817543|6.635787|4.568464|3.951963|4.195954|0.079260|2.675853|4.090873|6.509121|17.553270|0.048665|0.057253|0.054860|0.050362|0.048560|0.064082|0.066727|0.055416|0.063605|0.075168|0.071081|0.070275|0.057784|0.063526|0.071444|0.053406|0.054600|0.050394|0.051415|0.058291|0.045988|0.050865|0.043604|0.064829|0.059430|0.091291|0.153229|0.107455|0.174145|0.133263|0.213246|0.302582|0.500000| 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