Version2.1 2021-01-07T15:52:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 05-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1=C[C@H]([C@@H](C[C@H]1CC(=O)N2CCN(CC2)c3cccc[nH+]3)C(C)C)CNC(=O)NC(C)C C30881640 RHF 6-31G(d) (6D,7F) CC1=C[C@H]([C@@H](C[C@H]1CC(=O)N2CCN(CC2)c3cccc[nH+]3)C(C)C)CNC(=O)NC(C)C C01[X(C26H42N5O2)] 219 C1 579 CC(NC(=O)NC[C@@H]1C=C(C)[C@@H](C[C@H]1C(C)C)CC(=O)N1CCN(CC1)c1cccc[nH+]1)C CC(NC(=O)NC[C@@H]1C=C(C)[C@@H](C[C@H]1C(C)C)CC(=O)N1CCN(CC1)c1cccc[nH+]1)C CC(C)NC(=O)NC[C@@H]1C=C(C)[C@@H](C[C@H]1C(C)C)CC(=O)N2CCN(CC2)c3cccc[nH+]3 InChIKey=SATCLIAXUOBNHO-VABKMULXSA-O InChI=1S/C26H41N5O2/c1-18(2)23-15-21(20(5)14-22(23)17-28-26(33)29-19(3)4)16-25(32)31-12-10-30(11-13-31)24-8-6-7-9-27-24/h6-9,14,18-19,21-23H,10-13,15-17H2,1-5H3,(H2,28,29,33)/p+1/t21-,22-,23-/m0/s1 InChI=1/C26H41N5O2/c1-18(2)23-15-21(20(5)14-22(23)17-28-26(33)29-19(3)4)16-25(32)31-12-10-30(11-13-31)24-8-6-7-9-27-24/h6-9,14,18-19,21-23H,10-13,15-17H2,1-5H3,(H2,28,29,33)/p+1/t21-,22-,23-/m0/s1/fC26H42N5O2/h27-29H/q+1 CC1=C[C@H]([C@@H](C[C@H]1CC(=O)N2CCN(CC2)c3cccc[nH+]3)C(C)C)CNC(=O)NC(C)C C01[X(C26H42N5O2)] 219 C01 579 CC(NC(=O)NC[C@@H]1C=C(C)[C@@H](C[C@H]1C(C)C)CC(=O)N1CCN(CC1)c1cccc[nH+]1)C CC([C@@H]1C[C@@H](CC(=O)N2CC[N@@]([C]3[CH]=[CH][CH]=CN3)CC2)C(=C[C@H]1CNC(=O)NC(C)C)C)C CC(C)NC(=O)NC[C@@H]1C=C(C)[C@@H](C[C@H]1C(C)C)CC(=O)N2CCN(CC2)[C]3NC=CC=C3 InChIKey=FYAQGYCXIYMBEL-VABKMULXSA-N InChI=1S/C26H42N5O2/c1-18(2)23-15-21(20(5)14-22(23)17-28-26(33)29-19(3)4)16-25(32)31-12-10-30(11-13-31)24-8-6-7-9-27-24/h6-9,14,18-19,21-23,27H,10-13,15-17H2,1-5H3,(H2,28,29,33)/t21-,22-,23-/m0/s1 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15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 6 6 6 6 1 6 1 6 6 1 6 6 8 7 6 6 7 6 6 6 6 6 6 6 7 1 6 6 6 6 7 6 8 7 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 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 12263.4134 35050.6395 41113.5733 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1959.96 1971.88 1982.12 2010.29 2019.70 2028.37 2051.48 2064.06 2081.72 2094.05 2119.24 2134.18 2136.48 2153.52 2167.87 2171.52 2176.22 2191.53 2204.01 2208.38 2213.92 2221.37 2239.33 2241.40 2242.46 2246.74 2255.40 2262.69 2264.75 2264.98 2272.33 2286.13 2292.13 2324.69 2336.56 2343.61 2346.38 2351.41 2351.46 2351.52 2356.29 2358.57 2362.46 2363.85 2370.39 2372.87 2376.37 2380.62 2382.82 2383.49 2385.28 2421.58 2481.04 2485.92 2607.72 2659.83 2745.49 2775.73 2819.81 4544.70 4569.61 4587.67 4589.72 4592.57 4597.41 4598.90 4601.39 4606.74 4618.39 4627.26 4631.02 4635.05 4645.65 4652.79 4660.14 4665.79 4680.43 4683.67 4688.87 4691.38 4704.78 4709.96 4713.78 4722.97 4727.34 4728.05 4733.31 4740.97 4752.65 4793.84 4822.89 4826.90 4834.54 4846.83 4897.01 4933.95 4956.65 4990.93 5530.60 5551.39 5576.69 0.716805 0.749579 0.750523 0.646153 -1430.129557 -1430.096783 -1430.095839 -1430.200209 3.500587D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE 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|2.768298|3.526650|3.725613|4.889477|0.128237|7.452869|0.204021|5.895432|4.150360|0.100654|3.891053|3.785760|6.670468|4.602980|2.985987|2.886583|3.605828|2.891031|2.980229|2.314246|2.083199|1.853411|1.787482|1.923767|2.979826|0.064020|12.420533|36.858105| |3.049418|3.912102|4.343418|5.799884|0.184544|7.347836|0.152408|6.290544|4.245363|0.106095|3.467465|3.170204|5.759025|3.693752|2.407738|2.241224|2.839372|2.269353|2.434970|1.849586|1.703299|1.535538|1.478515|1.568974|2.384606|0.050708|12.415424|7.578504|36.858105| |3.954412|5.319540|7.621380|12.361467|0.247499|7.550663|0.211529|4.984187|4.620644|0.102525|4.300772|3.360733|5.333573|4.119943|2.491637|2.344710|3.221087|2.808560|3.040233|2.092966|2.009613|1.778106|1.642740|1.689286|2.569547|0.052658|5.828650|4.360611|4.432231|36.858105| |3.706668|4.534228|6.416673|7.617792|0.195842|4.967962|0.134655|3.808759|3.721521|0.086871|3.462400|2.774936|4.471052|3.459484|2.142410|2.024903|2.810721|2.417094|2.600246|1.860350|1.816625|1.628030|1.503029|1.529797|2.294951|0.046728|4.226629|3.330055|3.599501|13.149263|53.358707| |3.484872|3.975095|5.103770|5.255374|0.132357|3.898859|0.110923|3.193850|3.281646|0.078121|3.213603|2.599399|4.140100|3.326701|2.066347|1.966781|2.787153|2.417768|2.583423|1.862089|1.850568|1.661307|1.518368|1.528053|2.279173|0.045934|3.337467|2.802814|2.884105|7.753908|18.913145|36.858105| |3.549940|3.999716|4.821839|4.791340|0.114729|3.803232|0.113558|3.176193|3.371506|0.079802|3.484679|2.794550|4.351228|3.646987|2.234413|2.132552|3.079670|2.735451|2.923780|2.050774|2.057310|1.829113|1.650324|1.651514|2.473693|0.049465|3.178223|2.761416|2.694746|6.829867|11.453475|15.795946|73.516695| |3.004831|3.261711|4.018543|4.042495|0.108882|3.132479|0.087233|2.665450|2.726150|0.066954|2.643417|2.205096|3.576413|2.840714|1.804252|1.726265|2.442555|2.075945|2.196669|1.654962|1.656148|1.506853|1.384460|1.386799|2.045654|0.041188|2.804501|2.393694|2.526834|5.222614|11.297221|13.977466|14.991384|53.358707| |2.712553|2.818612|3.278624|3.183122|0.084975|2.602194|0.073444|2.293933|2.394810|0.059892|2.377010|2.016258|3.268916|2.640126|1.693517|1.627915|2.329262|1.971716|2.073861|1.595088|1.618206|1.481909|1.355076|1.344952|1.968974|0.039377|2.340641|2.060777|2.130375|3.878020|7.081832|7.738988|12.115734|17.767461|36.858105| |2.268334|2.346668|2.689193|2.669858|0.073338|2.240751|0.062687|1.991265|2.041457|0.051808|2.012188|1.747824|2.873213|2.298169|1.499178|1.452699|2.068984|1.721630|1.787553|1.431921|1.454588|1.347978|1.242351|1.231214|1.786673|0.035778|2.081850|1.852885|1.931168|3.156024|5.521755|5.163211|8.078777|10.683387|12.483411|36.858105| |2.958750|2.928307|3.312916|3.024388|0.080359|2.481613|0.069449|2.262810|2.433543|0.061638|2.406950|2.029756|3.294772|2.642159|1.694771|1.608154|2.297298|1.939031|2.079114|1.568526|1.591688|1.455546|1.329301|1.319127|1.932789|0.038641|2.191559|1.932889|2.023463|3.459351|5.995746|5.956394|10.114616|10.464449|12.459630|7.519701|36.858105| |17.587836|8.837053|7.299868|4.623744|0.116154|3.826938|0.099821|4.128213|5.431795|0.142888|4.569052|3.451024|5.661861|3.992695|2.453026|2.133299|2.890436|2.432181|2.919005|1.870075|1.802318|1.600025|1.478475|1.516494|2.297485|0.047023|2.985653|2.539439|2.840965|3.933112|5.345650|3.778500|6.716812|4.525413|3.015333|2.493234|3.399667|0.500000| |17.521481|8.865095|6.010786|4.209727|0.107563|3.874035|0.098834|4.719516|6.636872|0.207454|5.023229|3.948697|6.818828|4.330997|2.693579|2.269134|2.981100|2.449108|2.994185|1.908345|1.803137|1.598867|1.493834|1.552040|2.367359|0.049037|3.045625|2.637130|2.987021|3.384678|4.332907|2.964285|5.284559|3.576185|2.389828|2.048992|2.594174|0.301064|0.500000| |17.514545|8.800801|5.909491|4.160254|0.100141|3.843890|0.105028|4.417399|6.677496|0.183299|6.283338|4.544207|7.185638|5.116685|3.043761|2.542562|3.436270|2.921926|3.733410|2.173807|2.073579|1.810534|1.662165|1.713899|2.634161|0.053911|2.944104|2.612342|2.727755|3.594507|4.563380|3.271715|6.159586|3.841796|2.616498|2.183584|2.872558|0.302025|0.303151|0.500000| |7.156084|9.209814|17.696540|8.687874|0.212825|5.401637|0.133433|4.946318|5.519290|0.127712|4.466048|3.325425|5.414036|3.880039|2.364382|2.123758|2.880768|2.454968|2.825286|1.869134|1.798036|1.598627|1.480698|1.520963|2.303570|0.047263|4.040468|3.157743|3.719773|6.848861|9.655997|5.805241|9.228880|6.381041|3.755220|3.023509|3.892181|0.226695|0.156198|0.153036|0.500000| |4.835098|6.933822|6.402291|6.739297|0.178029|8.838788|0.174600|17.565857|8.989486|0.225084|5.485902|4.668336|8.724230|4.838716|3.013681|2.608049|3.258706|2.643057|3.056488|2.058415|1.878722|1.663239|1.584073|1.685145|2.604693|0.055353|6.734013|5.165439|7.054063|4.435762|4.886995|2.988373|5.150530|3.485106|2.202323|1.935488|2.186649|0.113875|0.135468|0.114811|0.135433|0.500000| |4.073672|5.541225|4.946252|5.453459|0.132567|8.790563|0.214239|17.586889|8.831267|0.213039|6.846337|6.655108|12.870410|6.489712|3.947627|3.351280|4.027790|3.257398|3.784011|2.469490|2.190254|1.909473|1.822916|1.970836|3.115748|0.067154|6.832988|6.556701|5.858246|4.128425|4.394512|2.783041|4.985962|3.211422|2.065462|1.815233|2.030465|0.095436|0.110411|0.105790|0.107623|0.304431|0.500000| |5.017738|6.782298|5.820054|5.619048|0.119268|6.664531|0.239088|6.826940|8.793232|0.174646|17.587206|8.893537|10.774538|9.713865|4.663832|3.935817|5.300477|5.050601|6.784432|3.108501|2.834202|2.362165|2.146216|2.259968|3.635158|0.075038|4.506998|4.240600|3.556302|5.129055|5.343406|3.646212|7.211646|3.956037|2.584446|2.163629|2.561523|0.117232|0.117592|0.146426|0.127535|0.139217|0.173879|0.500000| |6.568483|7.259116|5.261194|4.371699|0.099424|4.652434|0.140710|5.446785|8.819646|0.210127|17.522833|9.026539|11.257594|9.305897|4.661717|3.655718|4.913732|4.441471|6.616841|2.916557|2.691816|2.259564|2.051285|2.147341|3.422255|0.070301|3.421040|3.200306|2.962209|3.885518|4.491876|3.181204|6.250554|3.599889|2.428907|2.039645|2.518154|0.141197|0.151229|0.227015|0.122100|0.124041|0.139028|0.305423|0.500000| |2.722530|2.851302|2.489004|2.407329|0.059783|2.744327|0.083405|3.085511|3.458549|0.097924|4.437525|6.334927|10.482332|12.403286|17.504646|8.891354|9.330677|5.817741|7.117287|4.988253|3.928503|3.187201|3.008954|3.403591|5.957801|0.128784|2.412078|2.573920|2.164652|2.275903|2.718138|1.948816|3.752496|2.339015|1.630929|1.446562|1.649373|0.066535|0.073279|0.083637|0.062043|0.075605|0.093992|0.112688|0.122475|0.500000| |2.752647|3.012623|2.641396|2.631340|0.065584|3.156775|0.095376|3.663418|3.866867|0.110011|4.755060|7.627485|15.029217|12.558336|17.690442|8.922898|7.650755|4.978114|5.732677|4.208137|3.296230|2.759885|2.687158|3.101351|5.370782|0.123534|2.822203|3.125372|2.529121|2.425256|2.832951|1.979737|3.746901|2.364821|1.620351|1.443299|1.620063|0.066628|0.075017|0.081460|0.064523|0.088695|0.119337|0.119737|0.118985|0.301626|0.500000| |2.146039|2.304766|2.111943|2.136793|0.053850|2.464625|0.075674|2.632730|2.724561|0.074868|3.292491|4.271917|7.336803|7.758329|9.038644|17.620218|12.342910|5.628794|5.008309|7.282216|4.766282|3.926178|3.993881|5.112923|10.439540|0.278834|2.285887|2.560150|2.039287|2.073825|2.474881|1.770212|3.386070|2.141138|1.492478|1.343278|1.479164|0.053905|0.057662|0.063621|0.053106|0.065111|0.081508|0.090289|0.086825|0.223953|0.214580|0.500000| |2.329361|2.602955|2.416543|2.521252|0.062740|3.021568|0.095885|3.157150|3.149141|0.083614|3.870283|5.072628|8.393485|9.354042|8.828488|17.537911|12.329292|6.762516|5.664647|6.425887|4.436875|3.588921|3.526896|4.285623|8.269986|0.202945|2.814106|3.283502|2.422879|2.456677|2.849161|2.009400|3.845267|2.392312|1.642119|1.469609|1.605216|0.058278|0.061781|0.068035|0.059748|0.075841|0.100117|0.110687|0.096691|0.173984|0.218546|0.299434|0.500000| |2.537425|2.731544|2.568927|2.566331|0.062305|2.791102|0.090759|2.752943|3.004811|0.076846|3.943732|4.193029|6.082504|7.743050|4.992112|5.621745|12.309756|17.714374|8.933707|7.345236|7.501030|4.945499|3.878711|3.887915|6.614656|0.119950|2.445378|2.577067|2.079849|2.686109|3.218475|2.420041|4.940879|2.847355|2.018248|1.760137|1.986846|0.065236|0.064188|0.077416|0.065526|0.066283|0.078601|0.121831|0.111076|0.131013|0.109550|0.126667|0.139409|0.500000| |2.652211|3.003637|2.852872|2.975148|0.071356|3.423601|0.116509|3.312947|3.454792|0.086166|4.594234|5.068123|7.218996|9.560302|5.785817|6.873010|12.432306|17.556255|8.881981|6.443540|5.416710|3.993797|3.459444|3.700159|6.509901|0.127941|3.012109|3.309054|2.472339|3.093285|3.540839|2.571147|5.157643|2.972330|2.046263|1.787100|1.978958|0.067270|0.067234|0.078722|0.070796|0.077480|0.097304|0.149639|0.118165|0.133400|0.129831|0.140296|0.196912|0.302247|0.500000| |3.748965|4.166044|3.698121|3.525969|0.081646|3.862663|0.128821|3.942015|4.750214|0.115656|7.617346|7.114690|8.772143|12.392501|5.703248|4.946764|7.659194|9.005751|17.684365|4.233446|3.912444|3.062999|2.659337|2.761642|4.560563|0.090660|3.084500|3.101725|2.573384|3.543027|4.083182|3.009121|6.207033|3.404948|2.348447|1.986968|2.354360|0.092174|0.091050|0.118621|0.090564|0.090580|0.109028|0.247729|0.225448|0.144327|0.127731|0.109578|0.127101|0.216583|0.219284|0.500000| |3.198863|3.318293|2.903874|2.736959|0.066033|2.984988|0.093927|3.187877|3.792334|0.100574|5.408547|6.181118|8.407043|12.388869|7.116913|5.802601|9.319263|8.870560|17.498285|5.000029|4.516691|3.450367|2.979097|3.115022|5.242123|0.102944|2.507439|2.569519|2.184492|2.689790|3.224489|2.385264|4.786014|2.808255|1.978783|1.712685|2.014715|0.078969|0.081368|0.102932|0.072971|0.076475|0.090931|0.147156|0.167696|0.212330|0.144834|0.132370|0.131673|0.217936|0.174055|0.302256|0.500000| |2.042940|2.143954|2.038390|2.037135|0.050793|2.180596|0.068519|2.159605|2.312352|0.060727|2.837818|3.039831|4.715539|5.233676|3.829945|4.553502|9.530950|7.026254|4.945431|8.802281|17.841883|9.054889|5.620568|4.996841|7.808629|0.127236|1.979793|2.095027|1.730732|2.130523|2.632081|1.993728|3.996110|2.418143|1.746320|1.556854|1.722546|0.053405|0.052705|0.061735|0.053070|0.053543|0.061828|0.084202|0.080472|0.106673|0.088238|0.115596|0.112293|0.271770|0.158424|0.122483|0.139976|0.500000| |1.624186|1.688404|1.626771|1.637805|0.041730|1.737463|0.053322|1.716813|1.797656|0.047878|2.098194|2.236063|3.628216|3.621288|2.762765|3.268338|5.720296|3.836796|3.074305|5.637190|9.075212|17.734647|8.827166|5.723946|6.894449|0.111284|1.626182|1.727283|1.451855|1.711176|2.156377|1.631908|3.202015|2.028193|1.478912|1.349374|1.453723|0.043011|0.042557|0.048286|0.042917|0.043504|0.049217|0.061244|0.058992|0.077696|0.067563|0.090102|0.084165|0.122633|0.097399|0.078727|0.087193|0.219816|0.500000| |1.440904|1.504374|1.448638|1.472381|0.037959|1.584291|0.048022|1.581009|1.622897|0.043751|1.852620|2.022502|3.388403|3.221827|2.579635|3.136482|4.966421|3.080916|2.551395|4.898559|5.608079|8.734051|17.784389|9.047106|7.783870|0.128600|1.515530|1.638368|1.371276|1.513708|1.900452|1.412900|2.716608|1.767152|1.275914|1.177729|1.251411|0.038001|0.038315|0.042328|0.038069|0.040441|0.046012|0.053274|0.051156|0.072083|0.065294|0.092241|0.082577|0.089516|0.080951|0.064490|0.071295|0.123760|0.210905|0.500000| |1.523487|1.608826|1.535697|1.572469|0.040547|1.734592|0.052528|1.757582|1.780689|0.048362|2.032285|2.306562|3.945267|3.712896|3.157916|4.105115|5.917246|3.345675|2.780661|5.739823|4.997281|5.660126|8.913736|17.778968|12.566175|0.233339|1.673117|1.851353|1.516365|1.586624|1.959640|1.430383|2.725531|1.775337|1.262566|1.162152|1.237932|0.039672|0.040847|0.044538|0.039841|0.044828|0.052279|0.057796|0.055020|0.086524|0.081496|0.130965|0.109403|0.090102|0.088971|0.068303|0.076137|0.108449|0.123955|0.211843|0.500000| |2.988770|3.897540|4.633573|7.252022|0.207460|8.910251|0.211106|5.488167|4.060891|0.095473|3.628020|3.204239|5.452699|3.891509|2.470617|2.367209|3.095569|2.554183|2.670399|2.019944|1.881241|1.685372|1.602530|1.684917|2.564528|0.053863|17.518315|8.997244|8.972450|6.671762|6.534013|3.675468|6.076741|4.193320|2.520235|2.251920|2.303231|0.078857|0.077318|0.075961|0.110874|0.141889|0.139077|0.112460|0.086104|0.061197|0.069703|0.058783|0.071765|0.065595|0.079781|0.080491|0.065182|0.053609|0.044409|0.041138|0.044752|0.500000| |2.807170|3.539379|3.561511|4.376425|0.114128|6.667403|0.180176|6.384632|4.402421|0.109988|4.109658|4.226788|7.802146|5.015286|3.307347|3.135127|3.781025|2.968118|3.106723|2.397614|2.121699|1.881956|1.827718|1.990299|3.110850|0.067751|8.722981|17.545232|6.790910|3.767214|4.026876|2.542003|4.500337|2.980911|1.913512|1.721129|1.823955|0.070292|0.075515|0.074066|0.083350|0.154783|0.226905|0.119160|0.092487|0.078156|0.099257|0.077382|0.099834|0.072282|0.093004|0.087763|0.074493|0.058806|0.048372|0.046392|0.053446|0.173979|0.500000| |2.420312|2.983549|3.173229|4.058655|0.111639|5.442658|0.146687|4.531528|3.387703|0.084671|3.185511|3.140212|5.607673|3.915653|2.620143|2.582846|3.242239|2.549310|2.578476|2.125845|1.926833|1.738836|1.692557|1.819151|2.778964|0.059754|8.780472|17.548318|6.984856|3.752125|4.090621|2.553144|4.425669|3.035079|1.930284|1.763949|1.800406|0.062604|0.064686|0.063512|0.077108|0.117547|0.136970|0.095069|0.075189|0.063635|0.076321|0.064855|0.081470|0.064004|0.080342|0.073843|0.062817|0.053493|0.045168|0.043423|0.049045|0.216002|0.302516|0.500000| |2.713312|3.430594|3.616230|4.683616|0.117437|6.837020|0.222377|5.257855|4.010475|0.095810|4.031208|3.939487|6.656606|4.990036|3.193065|3.172597|4.024687|3.284620|3.291029|2.570216|2.308040|2.035481|1.950101|2.097919|3.275343|0.070044|8.747024|17.525699|5.491180|4.520678|4.622592|2.917750|5.226477|3.348160|2.129345|1.902649|1.981559|0.069352|0.070633|0.072449|0.085694|0.122712|0.160106|0.127903|0.092127|0.075511|0.090681|0.076774|0.102121|0.080805|0.108241|0.095539|0.077223|0.064560|0.052501|0.049339|0.055629|0.214949|0.301060|0.301933|0.500000| |3.060065|3.863701|4.029742|4.923713|0.147758|6.453194|0.138721|6.722937|4.422044|0.115119|3.547866|3.353870|6.332919|3.834681|2.532402|2.323561|2.887647|2.275214|2.465095|1.871506|1.706839|1.537805|1.488813|1.591270|2.427474|0.052025|8.727712|6.948573|17.559676|3.768464|4.241808|2.579224|4.362260|3.097166|1.955713|1.774432|1.885955|0.077671|0.085293|0.076411|0.095319|0.224775|0.187726|0.097623|0.083626|0.063129|0.075390|0.059036|0.069721|0.057409|0.068184|0.071256|0.061696|0.047909|0.040211|0.038315|0.042887|0.174053|0.203958|0.175554|0.140386|0.500000| |3.269801|4.187799|4.844308|6.388593|0.232451|6.787657|0.138326|5.922783|4.248884|0.106606|3.361583|2.980949|5.369220|3.462586|2.245970|2.075045|2.660352|2.138626|2.318891|1.740024|1.618548|1.462360|1.401990|1.477195|2.233692|0.047182|8.696741|5.480124|17.558240|4.635808|5.328581|3.068228|4.978221|3.691992|2.258945|2.046295|2.157125|0.086015|0.089296|0.079241|0.117409|0.198295|0.141839|0.094873|0.081529|0.056885|0.064956|0.052640|0.061354|0.055042|0.063958|0.068774|0.058450|0.045974|0.038630|0.036219|0.039581|0.208840|0.139570|0.141069|0.122197|0.301901|0.500000| |2.606015|3.213656|3.554931|4.590513|0.145750|5.419344|0.123867|4.674100|3.429423|0.087396|2.933440|2.745844|4.990179|3.293791|2.190024|2.078408|2.642246|2.088314|2.195835|1.743929|1.611835|1.466090|1.420102|1.505696|2.269340|0.048278|8.812707|6.861067|17.549973|3.850780|4.418173|2.644878|4.379307|3.217502|2.006685|1.849384|1.888786|0.068486|0.071097|0.065690|0.087848|0.140485|0.126502|0.084176|0.070980|0.054930|0.063829|0.053016|0.062698|0.053519|0.063315|0.063927|0.055039|0.045279|0.038578|0.036762|0.040628|0.220626|0.165612|0.207757|0.141103|0.302669|0.302500|0.500000| |4.072644|5.399794|6.986706|8.833645|0.174561|6.813506|0.222302|4.829822|4.800214|0.104941|4.879154|3.706505|5.666241|4.636672|2.731757|2.573833|3.604995|3.248614|3.536278|2.320230|2.238490|1.955064|1.783795|1.827439|2.800180|0.056962|5.036657|4.122778|3.814720|17.663909|12.707983|7.685769|14.688762|6.779975|3.912933|3.105342|3.533311|0.110886|0.094604|0.107059|0.171613|0.114389|0.113936|0.173465|0.123652|0.069136|0.072417|0.062428|0.074436|0.086808|0.100079|0.118853|0.085573|0.066745|0.052243|0.045367|0.047243|0.150767|0.101374|0.097357|0.124399|0.093960|0.107285|0.092847|0.500000| |3.281903|4.256006|5.536034|8.797751|0.211202|7.096032|0.204239|4.559652|3.987086|0.090982|3.781523|3.123600|5.032940|3.903971|2.407478|2.314225|3.167094|2.726271|2.856243|2.075750|1.987239|1.769216|1.645368|1.696214|2.571552|0.052864|6.541359|4.924458|4.711489|17.538269|12.463084|6.171398|9.821397|6.236867|3.490381|2.965987|3.040663|0.089807|0.080645|0.084212|0.139505|0.113655|0.110070|0.124646|0.093681|0.060606|0.065479|0.057001|0.068441|0.072190|0.084996|0.090306|0.069825|0.058002|0.047209|0.042196|0.044416|0.239217|0.111990|0.119857|0.144480|0.107692|0.131520|0.117769|0.303032|0.500000| |3.289925|3.930190|5.377043|6.515490|0.192762|4.469272|0.117203|3.481810|3.303417|0.079014|3.020348|2.493402|4.097534|3.112271|1.963084|1.865516|2.570500|2.171481|2.311570|1.715808|1.674069|1.514113|1.408644|1.435021|2.139046|0.043687|4.092703|3.203357|3.637874|9.102290|26.044883|9.400722|10.899047|10.680949|4.901801|4.107633|4.083844|0.097104|0.080902|0.082135|0.166177|0.094057|0.083033|0.092896|0.079706|0.050935|0.053449|0.046932|0.053764|0.058935|0.064825|0.072597|0.058903|0.049130|0.040972|0.036528|0.037728|0.132635|0.078615|0.082333|0.088981|0.086130|0.112281|0.093199|0.181881|0.222636|0.500000| |2.957281|3.199921|3.987904|4.020278|0.113392|3.075258|0.083363|2.634335|2.659148|0.065903|2.512505|2.108852|3.465302|2.688853|1.720351|1.639631|2.295250|1.927835|2.047125|1.555570|1.547185|1.413256|1.307855|1.315294|1.937263|0.039190|2.799918|2.357331|2.588243|4.911964|10.668155|9.419746|10.909993|26.021178|9.080734|7.244094|6.633804|0.091635|0.072926|0.075719|0.132122|0.071684|0.064506|0.075505|0.069395|0.045539|0.046413|0.041698|0.046463|0.053534|0.056239|0.064049|0.053547|0.045776|0.038732|0.034146|0.034529|0.085582|0.059962|0.061464|0.066194|0.064437|0.078593|0.067526|0.123329|0.121333|0.239685|0.500000| |2.622031|2.743254|3.136326|3.083766|0.080570|2.584224|0.074568|2.269841|2.376981|0.059204|2.419925|2.062123|3.312185|2.739989|1.753627|1.699810|2.461944|2.102797|2.186771|1.692058|1.731871|1.583489|1.437264|1.418625|2.075560|0.041278|2.319566|2.075546|2.076991|3.839385|6.622991|7.377160|13.609810|12.700836|17.637011|8.909780|8.916521|0.079405|0.063928|0.071580|0.096594|0.059702|0.057287|0.074076|0.068842|0.046880|0.046239|0.043155|0.047582|0.060467|0.060739|0.069162|0.057844|0.052289|0.044075|0.037544|0.036821|0.069351|0.053488|0.053878|0.060414|0.053125|0.060283|0.054405|0.112190|0.097208|0.123048|0.181402|0.500000| |2.258772|2.322147|2.671146|2.635371|0.073863|2.196078|0.060484|1.965836|2.006893|0.051261|1.945164|1.691653|2.804320|2.204713|1.443393|1.391438|1.964668|1.623023|1.695909|1.357228|1.370353|1.271693|1.178583|1.172742|1.701895|0.034218|2.052814|1.812095|1.937007|3.029090|5.327467|4.677040|7.083812|9.549986|8.775718|17.514988|6.788650|0.069536|0.057202|0.059684|0.084503|0.053734|0.049615|0.057477|0.054649|0.038722|0.038836|0.035848|0.039121|0.045764|0.046709|0.052080|0.045221|0.040533|0.035259|0.031069|0.030862|0.061524|0.046875|0.048091|0.051116|0.049435|0.057631|0.051616|0.080924|0.078950|0.113874|0.210990|0.173503|0.500000| |2.106441|2.145480|2.403855|2.360679|0.064451|2.022562|0.056883|1.824196|1.884789|0.048233|1.876369|1.645623|2.707527|2.180916|1.431949|1.391450|1.991283|1.649678|1.706375|1.387089|1.418973|1.321661|1.216361|1.199353|1.731800|0.034563|1.880173|1.696561|1.749711|2.736809|4.579673|4.188794|6.978282|7.683627|8.820573|17.565487|6.882768|0.064120|0.053142|0.057010|0.074253|0.049211|0.046565|0.055725|0.053246|0.038603|0.038195|0.035884|0.038919|0.047176|0.047232|0.052411|0.045786|0.042262|0.036947|0.032130|0.031435|0.055933|0.044103|0.044942|0.048498|0.045076|0.051169|0.046631|0.076090|0.071733|0.093157|0.144675|0.212229|0.302136|0.500000| |2.128706|2.240962|2.575568|2.636242|0.072729|2.237558|0.062884|1.963296|1.981544|0.050147|1.958950|1.715037|2.823164|2.265055|1.482249|1.448067|2.062528|1.712806|1.757709|1.432340|1.454638|1.351677|1.248580|1.237480|1.792394|0.035908|2.114525|1.891932|1.951402|3.173190|5.485115|4.976559|7.755372|9.729612|8.802175|17.571294|5.479634|0.063967|0.053653|0.056925|0.078858|0.052872|0.050006|0.058932|0.054564|0.039540|0.039685|0.037188|0.040931|0.048591|0.049793|0.054066|0.046485|0.043106|0.037574|0.032915|0.032483|0.064348|0.048431|0.050383|0.054189|0.049492|0.057065|0.052380|0.086130|0.085232|0.115726|0.183457|0.214316|0.300753|0.300787|0.500000| |3.447219|3.366305|3.776824|3.320581|0.085944|2.705931|0.076242|2.483973|2.738578|0.068826|2.733879|2.260324|3.627757|2.931098|1.855921|1.745063|2.500206|2.135241|2.326412|1.692195|1.714450|1.553606|1.411181|1.402410|2.068496|0.041318|2.327547|2.047966|2.126920|3.773569|6.382808|6.420388|11.831734|9.506582|8.815869|5.486772|17.583279|0.111653|0.081791|0.093977|0.124326|0.066019|0.061455|0.080941|0.080738|0.050231|0.049017|0.044338|0.048152|0.060805|0.060218|0.074261|0.062699|0.051856|0.042987|0.036720|0.036418|0.067211|0.053934|0.052388|0.058508|0.055324|0.062839|0.054509|0.110212|0.089512|0.115046|0.163557|0.214643|0.139368|0.140777|0.123033|0.500000| 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