Version2.1 2020-12-18T01:32:28Z 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 C[C@H](C(=O)N1CCC2(CC1)c3c([nH+]c[nH]3)CCN2)NC(=O)c4cc(c(c(c4)OC)OC)OC C24986272 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)N1CCC2(CC1)c3c([nH+]c[nH]3)CCN2)NC(=O)c4cc(c(c(c4)OC)OC)OC C01[X(C23H32N5O5)] 189 C1 559 COc1cc(cc(c1OC)OC)C(=O)N[C@@H](C(=O)N1CCC2(CC1)NCCc1c2[nH]c[nH+]1)C COc1cc(cc(c1OC)OC)C(=O)N[C@@H](C(=O)N1CCC2(CC1)NCCc1c2[nH]c[nH+]1)C COc1cc(cc(OC)c1OC)C(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc4[nH+]c[nH]c34 InChIKey=BYWJAPVIMVTHFU-CQSZACIVSA-O InChI=1S/C23H31N5O5/c1-14(27-21(29)15-11-17(31-2)19(33-4)18(12-15)32-3)22(30)28-9-6-23(7-10-28)20-16(5-8-26-23)24-13-25-20/h11-14,26H,5-10H2,1-4H3,(H,24,25)(H,27,29)/p+1/t14-/m1/s1 InChI=1/C23H31N5O5/c1-14(27-21(29)15-11-17(31-2)19(33-4)18(12-15)32-3)22(30)28-9-6-23(7-10-28)20-16(5-8-26-23)24-13-25-20/h11-14,26H,5-10H2,1-4H3,(H,24,25)(H,27,29)/p+1/t14-/m1/s1/fC23H32N5O5/h24-25,27H/q+1 C[C@H](C(=O)N1CCC2(CC1)c3c([nH+]c[nH]3)CCN2)NC(=O)c4cc(c(c(c4)OC)OC)OC C01[X(C23H32N5O5)] 189 C01 559 COc1cc(cc(c1OC)OC)C(=O)N[C@@H](C(=O)N1CCC2(CC1)NCCc1c2[nH]c[nH+]1)C CO[C]1[CH][C]([CH][C]([C]1OC)OC)[C]([NH][C@@H](C(=O)N1CC[C@]2(CC1)NCCC1=C2[NH][CH][NH]1)C)[O] CO[C]1[CH][C]([CH][C](OC)[C]1OC)[C]([O])N[C@H](C)C(=O)N2CCC3(CC2)NCCC4=C3N[CH]N4 InChIKey=MYKKLZWEQJTHHP-CQSZACIVSA-N InChI=1S/C23H32N5O5/c1-14(27-21(29)15-11-17(31-2)19(33-4)18(12-15)32-3)22(30)28-9-6-23(7-10-28)20-16(5-8-26-23)24-13-25-20/h11-14,24-26H,5-10H2,1-4H3,(H,27,29)/t14-/m1/s1 InChI=1/C23H32N5O5/c1-14(27-21(29)15-11-17(31-2)19(33-4)18(12-15)32-3)22(30)28-9-6-23(7-10-28)20-16(5-8-26-23)24-13-25-20/h11-14,24-26H,5-10H2,1-4H3,(H,27,29)/t14-/m1/s1/f/h27H 3621.2361543395 -1535.9728239 1-A 17814.5752 122 437 559 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966.8877 976.0931 984.3660 1016.2466 1021.9861 1034.7875 1036.5670 1046.2500 1058.4937 1061.1475 1065.2224 1103.2463 1117.3231 1125.6173 1142.1800 1149.5266 1180.2565 1190.8574 1211.4815 1213.1146 1233.7576 1252.8188 1257.1008 1260.0310 1267.9748 1279.2374 1288.3145 1292.8436 1293.5091 1297.8919 1304.2785 1306.9876 1313.7125 1323.2539 1330.4587 1336.0909 1339.0725 1352.6703 1371.1400 1378.1487 1394.7610 1399.7094 1403.4964 1412.9260 1419.6723 1430.5072 1456.4870 1469.7293 1498.6666 1507.1411 1509.2085 1519.6522 1530.5847 1533.0885 1544.3964 1563.0737 1571.3286 1585.4249 1598.7341 1619.9246 1622.8691 1627.6928 1628.3212 1635.5081 1635.8747 1639.2302 1640.8341 1645.8172 1647.8154 1649.8376 1650.6834 1651.4567 1652.0931 1652.2734 1657.2554 1658.5200 1666.6723 1679.9672 1684.5226 1693.4239 1707.0668 1716.7984 1781.4277 1787.2068 1854.9486 1867.3349 1939.2114 3180.7685 3203.7150 3211.8631 3221.0980 3223.3303 3228.7169 3233.4100 3234.3667 3248.8491 3257.5168 3270.6838 3271.9795 3275.8344 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MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE C[C@H](C(=O)N1CCC2(CC1)c3c([nH+]c[nH]3)CCN2)NC(=O)c4cc(c(c(c4)OC)OC)OC C24986272 RHF 6-31G(d) (6D,10F) C1 458.240344 |X|Y|Z| 112.399416 64.054978 32.829596
61.829276 24 6 7 19 5
|36.858105| |12.457801|36.858105| |8.880756|17.682713|0.500000| |7.582433|12.391056|0.243324|36.858105| |6.046111|8.072448|0.165275|15.880885|73.516695| |5.724150|7.592717|0.198455|13.946206|15.089974|53.358707| |4.075505|5.009323|0.131935|7.960327|12.636406|17.791067|36.858105| |3.454940|4.423051|0.122286|6.151912|10.193124|10.682058|12.448639|36.858105| |3.276322|4.183181|0.126174|5.082363|7.785762|8.904761|7.399920|12.250395|36.858105| |4.003835|5.297709|0.177497|5.897631|8.110151|10.573766|6.510588|7.389536|12.273287|36.858105| |5.053796|6.405727|0.205992|7.633087|9.470902|17.821908|7.942808|6.541886|7.395049|12.460204|36.858105| |2.853298|3.624469|0.109481|4.088341|6.600831|6.253841|4.943798|7.634115|12.644658|7.679782|4.962792|36.858105| |2.381457|2.892078|0.086478|3.186126|5.283429|4.815966|3.863180|5.404010|7.505688|5.298763|3.823382|14.226002|36.858105| |2.221972|2.687023|0.079963|2.863156|4.835230|4.119803|3.199026|4.241411|5.218114|4.234192|3.198894|8.737297|13.756683|53.358707| |1.993215|2.360242|0.069797|2.490583|4.246081|3.562151|2.763439|3.518392|4.160034|3.500876|2.756447|6.054869|8.928962|25.984915|0.500000| |2.454975|3.050546|0.090927|3.192363|5.397863|4.424894|3.329622|4.408979|5.220668|4.494452|3.374432|8.696763|8.654056|19.654263|0.257171|36.858105| |2.919411|3.797900|0.114419|4.072126|6.707131|5.686297|4.225098|5.946307|7.370362|6.189268|4.326170|13.766127|8.696803|12.141854|0.171104|14.559996|53.358707| |3.317929|4.518394|0.135686|4.724125|7.738009|6.205797|4.375766|5.842402|6.554435|6.246362|4.565017|8.887825|6.008431|8.327721|0.131157|9.211632|25.530700|0.500000| |2.151840|2.525268|0.074866|2.804159|4.668787|4.356162|3.591203|4.698246|6.192179|4.497996|3.492304|7.590029|12.748761|9.974686|0.180020|5.206409|7.123939|0.115644|36.858105| |2.323967|2.714237|0.079515|3.140493|5.201561|5.134433|4.516684|5.913091|7.617327|5.032905|4.086502|6.962663|7.862641|6.892181|0.122896|4.201777|6.342803|0.109418|12.406035|36.858105| |2.768262|3.300310|0.098939|3.870413|6.100848|6.774548|5.808831|7.518781|12.977618|7.782941|5.864878|8.089935|7.062374|6.396237|0.110026|4.249478|7.013017|0.124987|7.776458|13.079556|53.358707| |7.818806|13.130213|0.258755|7.821023|12.540586|7.122665|4.059205|3.894697|3.650094|4.280895|4.535060|3.418739|2.771274|3.645248|0.065711|3.137189|5.206696|0.131486|2.373391|2.475014|3.934740|53.358707| |5.130719|7.818020|0.196420|6.397297|10.928296|6.442137|3.963849|4.158806|3.933463|4.406348|4.216660|3.927022|3.135568|4.238992|0.075461|3.825230|6.456915|0.175882|2.588830|2.633393|4.120660|19.317660|36.858105| |4.500755|6.941936|0.197784|6.462097|10.391565|7.138971|4.481415|5.106737|5.033402|5.614893|4.854917|5.215008|3.916475|5.256665|0.090465|4.953713|9.210723|0.290774|3.091135|3.111566|4.952839|11.598661|15.604954|73.516695| |3.946304|5.044473|0.128779|4.428418|8.200865|4.775873|3.135246|3.317860|3.127175|3.327976|3.174373|3.248096|2.733369|3.835150|0.070025|3.455930|5.388219|0.138383|2.283016|2.279091|3.431034|10.740588|12.767382|14.256491|36.858105| |3.186984|3.957025|0.102718|3.821579|7.343646|4.317085|2.998843|3.296085|3.051954|3.069509|2.859484|3.286845|2.821333|4.058745|0.074565|3.701411|5.564339|0.139355|2.337466|2.304526|3.373244|7.242856|7.721164|11.727465|13.754569|36.858105| |2.679547|3.138842|0.082192|3.026481|5.813008|3.521781|2.482401|2.688313|2.514481|2.513288|2.367506|2.709440|2.416629|3.520493|0.066436|3.113186|4.445001|0.104986|2.048622|2.005082|2.879513|5.468713|5.083455|7.969231|7.957075|13.718002|36.858105| |2.617656|2.954542|0.077478|2.747773|5.196508|3.198523|2.214830|2.335459|2.216786|2.268957|2.176004|2.346318|2.110701|3.048327|0.058082|2.638987|3.756871|0.087612|1.820612|1.787786|2.580885|5.167687|4.473618|6.769022|6.885970|7.902106|13.670427|36.858105| |2.993108|3.336495|0.087155|2.950291|5.472088|3.374685|2.269146|2.345004|2.248301|2.371766|2.308528|2.336136|2.076587|2.955673|0.055959|2.551061|3.709013|0.087567|1.797109|1.777925|2.609931|6.083359|5.049576|7.181295|7.947961|6.836920|7.892506|13.664725|36.858105| |3.767068|4.385167|0.112988|3.678581|6.708422|4.058683|2.645854|2.717471|2.607143|2.820491|2.758140|2.674182|2.314411|3.248416|0.060473|2.840579|4.281871|0.104552|1.981163|1.976049|2.959743|8.921656|7.610688|9.561780|13.731457|7.885318|6.839096|7.900325|13.703992|36.858105| |2.704907|2.883075|0.076077|2.539134|4.658175|2.960680|1.991733|2.031890|1.966348|2.085012|2.051593|2.027267|1.828366|2.593765|0.049638|2.193802|3.150732|0.072705|1.607453|1.590948|2.327030|4.989303|3.876071|5.732282|5.216961|4.621878|5.293752|8.236607|14.233872|7.894199|73.516695| |2.881832|2.957660|0.078271|2.527847|4.555107|2.949563|1.950881|1.954967|1.906827|2.061126|2.062193|1.934306|1.740940|2.439370|0.046640|2.040875|2.958237|0.067988|1.544316|1.538715|2.271192|5.033151|3.669868|5.410415|4.514831|3.785506|3.978597|5.264235|8.011223|6.720974|24.147105|36.858105| |2.234882|2.454349|0.064817|2.314840|4.371973|2.753710|1.931598|2.027560|1.930909|1.959667|1.887253|2.042175|1.874027|2.713564|0.052473|2.299604|3.207444|0.072782|1.641110|1.607340|2.292746|4.099551|3.400065|5.350021|4.633538|5.236705|8.029537|14.151899|8.027077|5.235842|12.789035|4.712808|73.516695| |2.008492|2.200837|0.059337|2.069486|3.835038|2.510705|1.765442|1.868728|1.814052|1.841684|1.753191|1.943023|1.809855|2.656589|0.051959|2.242189|3.056479|0.068360|1.587667|1.535400|2.176101|3.587428|2.975645|4.838732|3.855591|4.281939|5.937464|8.130570|5.961093|4.283313|10.479557|4.175840|23.998286|36.858105| |2.296936|2.647910|0.069971|2.634969|5.081463|3.158120|2.289786|2.509033|2.339324|2.276823|2.132379|2.552744|2.336409|3.447961|0.066127|2.995986|4.132176|0.093901|1.997737|1.940146|2.726328|4.366349|3.904021|6.525437|5.218469|7.895927|14.202339|8.226371|5.288424|4.619084|7.319579|3.215956|12.783198|5.834032|73.516695| |2.231989|2.597878|0.068660|2.689265|5.251832|3.275844|2.447236|2.744442|2.508814|2.361659|2.192005|2.769727|2.552640|3.776564|0.072359|3.260906|4.462088|0.099332|2.175445|2.112214|2.921110|4.147449|3.705892|6.505208|4.519687|6.712209|8.019471|5.279963|3.986551|3.791296|5.731906|2.667511|8.415741|4.123459|24.184975|36.858105| |17.568484|8.809920|0.173757|6.964773|11.427208|6.973973|3.902164|3.272514|2.988589|3.460650|4.256922|2.627892|2.219045|2.833207|0.052184|2.291964|3.665178|0.084527|2.017950|2.186204|3.471967|9.558906|4.760801|7.240783|3.870644|3.176985|2.707275|2.656418|3.021911|3.735415|4.871342|2.909102|4.053941|2.020331|4.138201|2.262601|0.500000| |17.579568|8.820754|0.213675|5.506438|8.270504|6.068552|3.364255|2.982710|2.916265|3.564799|4.239796|2.619456|2.221058|2.865169|0.052859|2.332309|3.704773|0.085743|2.005729|2.127018|3.405120|9.682687|4.814507|7.374760|3.874112|3.074409|2.632671|2.638510|3.095715|3.904579|5.080869|3.146471|4.017440|2.045491|3.986361|2.141251|0.299694|0.500000| |17.583043|8.808005|0.212222|6.881251|9.496659|8.232477|4.223597|3.446420|3.313672|4.108899|5.589805|2.805159|2.358498|2.947633|0.054090|2.346994|3.785628|0.085642|2.171711|2.382207|3.911923|7.673625|4.174831|6.944417|3.288853|2.764173|2.357473|2.290582|2.564847|3.121971|4.173591|2.488799|3.535845|1.809564|3.668809|2.030633|0.301945|0.301098|0.500000| |3.958683|4.683521|0.116944|7.517011|14.491902|12.454360|17.698666|8.830317|5.437583|4.854292|5.725872|4.122388|3.353699|3.919465|0.070197|3.018531|5.054757|0.108288|3.130397|3.817177|6.125799|5.398849|3.839981|7.369200|3.131062|3.034258|2.532344|2.254387|2.293149|2.649768|3.575557|1.960777|3.506955|1.783482|4.174569|2.527256|0.110762|0.090361|0.111624|0.500000| |3.618939|4.164286|0.113108|5.847303|9.302574|12.516771|17.562665|8.731361|6.610734|5.862086|7.380086|4.423772|3.648207|4.052822|0.072569|2.997973|4.991917|0.102190|3.594344|4.752612|8.406641|4.613749|3.278427|6.491185|2.673925|2.565683|2.176610|1.968353|2.017016|2.316662|3.196281|1.773422|3.094476|1.605887|3.609012|2.162220|0.096031|0.084647|0.108226|0.302998|0.500000| |3.606591|4.816062|0.129254|6.711207|11.912249|9.683528|8.992740|17.566346|8.753344|6.443387|5.653472|7.314358|5.102117|5.892967|0.099112|4.825062|9.207819|0.200474|4.160720|4.729345|7.567512|6.119838|5.077480|11.482772|3.983683|4.030384|3.166589|2.679676|2.667586|3.127205|4.023464|2.147982|4.064878|2.083415|5.197285|3.232653|0.095919|0.086677|0.096080|0.219421|0.174085|0.500000| |2.922406|3.562060|0.097810|4.694641|8.279325|7.679682|8.795847|17.558090|8.780942|5.451704|4.922469|6.709613|5.406497|5.726913|0.098981|4.159883|7.053516|0.134770|5.015756|6.664894|9.725106|4.417669|3.475969|7.326780|2.923182|2.991793|2.507929|2.174796|2.149270|2.431953|3.337085|1.795906|3.407704|1.774994|4.267297|2.677298|0.078432|0.071275|0.081301|0.210395|0.210012|0.303705|0.500000| |4.320112|6.173167|0.220739|6.245450|8.542649|9.448351|5.551868|6.410724|8.794270|17.620494|8.999030|7.433064|5.043595|5.927132|0.099200|4.992321|9.865626|0.227650|4.026940|4.202344|7.763645|7.047215|5.579284|13.760123|3.985119|3.578523|2.851622|2.561878|2.705104|3.298241|4.164152|2.307101|3.865182|2.039065|4.497658|2.590226|0.102160|0.108645|0.117153|0.123567|0.132136|0.179165|0.133693|0.500000| |3.494236|4.322467|0.146119|4.505594|6.475206|7.648040|4.951032|5.481173|8.869699|17.586828|8.794345|6.743772|5.230719|5.688790|0.097835|4.252764|7.364966|0.144282|4.650346|5.008802|10.420814|4.909254|3.695325|8.058482|2.918240|2.707354|2.271864|2.078336|2.173503|2.543337|3.447705|1.928874|3.230087|1.729978|3.692690|2.141376|0.084023|0.089404|0.101192|0.108174|0.133735|0.134124|0.124350|0.302287|0.500000| |4.237797|4.846313|0.148041|5.746765|7.881281|12.616164|7.393661|5.827033|6.550078|8.765019|17.575595|4.409645|3.595606|4.034610|0.072118|3.017328|5.055397|0.104772|3.478839|4.249840|8.407759|4.962938|3.412088|6.812582|2.697916|2.480405|2.101253|1.942627|2.044292|2.388974|3.272268|1.853420|3.039647|1.596967|3.417278|1.986586|0.102869|0.100856|0.135015|0.150102|0.231778|0.132912|0.131216|0.174680|0.213248|0.500000| |5.968947|7.179888|0.257097|6.970759|8.637264|12.327568|5.697928|4.866725|5.434524|8.827444|17.647951|4.141107|3.311500|3.920281|0.069972|3.074846|5.211341|0.114562|3.023478|3.388731|6.201815|6.530274|4.235753|8.288674|3.184550|2.787091|2.325368|2.178451|2.356633|2.842117|3.759905|2.162658|3.356962|1.757872|3.683244|2.091026|0.130171|0.141311|0.192298|0.127403|0.149320|0.125430|0.107697|0.219801|0.208958|0.306766|0.500000| |2.329183|2.858206|0.084439|2.912975|4.998460|3.921375|2.902036|3.661382|4.107533|3.744111|2.950952|5.906475|5.888679|12.190148|0.210855|17.825614|12.244194|0.210168|4.094589|3.407687|4.679780|4.133316|3.759894|8.331749|3.577397|3.935037|3.382507|2.848220|2.709868|2.963198|4.128411|2.130736|4.419728|2.462329|5.849101|3.543748|0.060785|0.062301|0.061209|0.074741|0.072729|0.113101|0.096477|0.117458|0.099123|0.073444|0.076570|0.500000| |2.069921|2.398006|0.072053|2.597689|4.272937|4.030423|3.202987|3.954462|5.285193|4.271690|3.337896|6.131326|8.945968|8.510093|0.162856|4.610029|6.203766|0.103674|17.564220|8.789312|9.250848|3.052604|2.419080|5.077645|2.138425|2.160932|1.909260|1.719468|1.710765|1.883090|2.743976|1.493462|2.766712|1.515988|3.295075|1.987824|0.053544|0.054125|0.058407|0.077561|0.090344|0.098286|0.112701|0.106152|0.130595|0.093505|0.082113|0.104250|0.500000| |1.949671|2.259123|0.065994|2.503679|4.259716|3.806240|3.162435|4.037636|4.786448|3.629120|2.958196|5.770708|8.893473|9.069539|0.182377|4.699114|6.073228|0.100993|17.557816|8.791265|7.665490|2.935544|2.356453|4.910581|2.126071|2.211018|1.967882|1.746355|1.705765|1.855562|2.721775|1.463234|2.825099|1.542997|3.465423|2.144466|0.051369|0.050677|0.054418|0.079052|0.087878|0.102279|0.124341|0.092874|0.102324|0.082036|0.072262|0.106972|0.301072|0.500000| |2.146372|2.443042|0.071423|2.788806|4.628954|4.549861|3.927953|4.660337|5.619887|4.235498|3.652986|5.058746|5.672169|5.565537|0.104105|3.444523|5.055490|0.090056|8.852649|17.615694|12.574132|3.019773|2.320766|4.760235|2.030831|2.042246|1.801755|1.625587|1.621610|1.789738|2.605997|1.426010|2.620585|1.412822|3.108378|1.889859|0.056262|0.054865|0.061787|0.094154|0.119831|0.106095|0.143842|0.098802|0.121350|0.109649|0.086111|0.080406|0.219614|0.205196|0.500000| |2.290717|2.674162|0.076512|3.170055|5.412453|5.100899|4.748309|6.435477|6.841710|4.472530|3.805552|6.342436|6.833115|6.485537|0.116616|4.063672|6.122319|0.107347|8.860819|17.490214|12.125690|3.359234|2.638475|5.495561|2.306574|2.369233|2.064243|1.823846|1.796456|1.986509|2.846497|1.538470|2.919619|1.559261|3.583887|2.229932|0.060762|0.057854|0.064727|0.115328|0.136587|0.142746|0.233784|0.107334|0.117149|0.108468|0.087637|0.092784|0.174142|0.221550|0.302513|0.500000| |2.832330|3.291580|0.097347|3.934951|6.174190|7.217276|6.386618|7.033639|9.305912|6.959614|6.250036|5.863225|5.169595|5.141809|0.091251|3.514384|5.713753|0.106928|5.749944|9.357944|25.940844|3.832302|2.864200|5.942248|2.386073|2.324164|1.996759|1.806019|1.836680|2.081673|2.930040|1.620021|2.863059|1.521983|3.355067|2.012274|0.072777|0.070368|0.083462|0.134687|0.213233|0.141555|0.187143|0.140845|0.187586|0.204785|0.132188|0.081805|0.146664|0.127198|0.233872|0.208981|0.500000| |7.504001|9.078286|0.183677|6.424856|11.552576|6.057909|3.605118|3.396755|3.124655|3.538094|3.810200|2.942082|2.449924|3.245097|0.059323|2.753294|4.425941|0.108281|2.133975|2.228310|3.474271|26.037797|9.543957|10.992155|7.542607|5.146193|4.075410|3.994981|4.846263|7.094581|7.130058|4.109837|5.643375|2.714499|5.742198|3.014935|0.215707|0.196769|0.147332|0.101399|0.085143|0.107707|0.080986|0.113601|0.084824|0.088608|0.111552|0.074965|0.056083|0.054544|0.056080|0.062254|0.069744|0.500000| |3.100858|3.932990|0.102847|4.035484|7.840644|4.647304|3.332579|3.822274|3.460919|3.344547|3.045380|3.812707|3.228598|4.655214|0.084209|4.330754|6.620535|0.167494|2.622258|2.582037|3.750971|6.757607|7.212305|12.781186|8.956527|17.790701|8.868475|5.622159|4.939151|5.639232|6.522256|3.133340|7.500367|3.616093|12.526921|7.406944|0.085447|0.081224|0.076098|0.093615|0.078108|0.135176|0.096757|0.107752|0.080776|0.073308|0.080325|0.126122|0.066185|0.068963|0.062649|0.074639|0.071005|0.128363|0.500000| |4.247959|4.754049|0.123149|3.735967|6.592569|4.113947|2.612062|2.623169|2.550715|2.839885|2.835381|2.565428|2.218439|3.073630|0.057265|2.648681|4.020619|0.097192|1.918867|1.926099|2.917916|9.689418|7.026800|8.910468|8.915914|5.631622|4.939618|5.626937|8.889052|17.780886|12.563766|7.472948|7.507097|3.628256|6.518772|3.135731|0.115016|0.128513|0.095712|0.072066|0.064072|0.082148|0.064757|0.092163|0.071670|0.068083|0.083268|0.075687|0.051118|0.049631|0.048775|0.053325|0.057444|0.220812|0.124353|0.500000| |2.522275|2.548827|0.067910|2.219544|4.002641|2.633675|1.759530|1.760828|1.721501|1.848444|1.851487|1.746973|1.590133|2.230306|0.042970|1.845417|2.645975|0.059951|1.423303|1.416184|2.075899|4.175760|3.039221|4.620178|3.621460|3.184015|3.413872|4.433397|5.894653|4.905301|17.010618|17.664819|7.664956|3.983588|5.126276|2.414260|0.070990|0.076219|0.061659|0.049196|0.044840|0.053256|0.045326|0.056796|0.048455|0.046733|0.053829|0.053557|0.038359|0.037641|0.036666|0.039336|0.041231|0.093546|0.075111|0.146075|0.500000| |2.998268|3.099523|0.083947|2.585404|4.553791|3.035369|1.985298|1.996929|1.979645|2.172230|2.158676|2.013929|1.808698|2.538180|0.048441|2.131682|3.093239|0.071298|1.598251|1.585044|2.354255|5.252477|3.831743|5.692068|4.557593|3.712003|3.754207|4.714331|6.969051|6.699826|16.420297|17.563025|7.316386|3.832978|5.399766|2.557727|0.081826|0.092774|0.071967|0.054751|0.050216|0.060692|0.050630|0.068163|0.056836|0.053631|0.063549|0.061884|0.043168|0.041843|0.040779|0.043689|0.046502|0.115348|0.086240|0.227080|0.300119|0.500000| |3.220248|3.218152|0.083098|2.725939|4.952173|3.130705|2.053412|2.024406|1.951271|2.117596|2.158761|1.948595|1.740862|2.410032|0.045867|2.007081|2.949183|0.067976|1.550759|1.562161|2.319062|5.521087|3.833386|5.526431|4.587041|3.750667|3.814008|4.812595|7.083630|6.730297|16.438502|17.566734|7.516320|3.611862|5.480963|2.612506|0.092294|0.098246|0.076027|0.057756|0.051710|0.061766|0.051459|0.065549|0.054628|0.053825|0.063117|0.057474|0.041552|0.040723|0.040246|0.043498|0.046260|0.131420|0.087025|0.221122|0.300088|0.298399|0.500000| |1.963971|2.183177|0.059339|2.075090|3.834967|2.539025|1.800303|1.934792|1.887310|1.896591|1.780373|2.054394|1.926683|2.870652|0.056388|2.440333|3.269515|0.072708|1.677710|1.606338|2.261195|3.530229|2.994304|4.994711|3.836372|4.464656|6.221830|7.182660|5.175142|4.017464|8.452798|3.568311|16.431238|17.579794|11.874314|4.667271|0.054492|0.055147|0.049426|0.050305|0.045453|0.060109|0.051261|0.058408|0.049550|0.045041|0.049240|0.075770|0.044385|0.045460|0.040903|0.045357|0.043633|0.072818|0.107361|0.094103|0.093252|0.094335|0.087610|0.500000| |2.047999|2.231442|0.060683|2.058734|3.763161|2.499035|1.736950|1.829754|1.797131|1.850415|1.762648|1.919631|1.784736|2.615039|0.051102|2.208019|3.018470|0.067691|1.566249|1.512746|2.158264|3.642981|2.992068|4.838755|3.840044|4.020642|5.159915|7.190811|6.266671|4.470983|12.098931|4.795950|16.427755|17.587817|8.379531|3.521620|0.056766|0.058702|0.051164|0.048397|0.044009|0.056330|0.047960|0.057173|0.048556|0.044521|0.049550|0.067286|0.041822|0.042063|0.038745|0.042361|0.041951|0.076404|0.093864|0.107993|0.128445|0.124628|0.109423|0.298228|0.500000| |1.831687|1.979150|0.053274|1.877286|3.488318|2.295649|1.624684|1.709556|1.655431|1.673108|1.603003|1.762742|1.655724|2.419363|0.047639|2.010933|2.731694|0.060370|1.468826|1.423959|2.006778|3.167119|2.572859|4.218196|3.214728|3.532753|4.668201|5.914277|4.680548|3.534523|8.681425|3.681337|16.901446|17.651006|8.619242|3.651806|0.051470|0.051760|0.046192|0.045770|0.041329|0.052496|0.045444|0.050907|0.043837|0.040886|0.044608|0.060863|0.039023|0.039856|0.036601|0.040248|0.039150|0.066907|0.085615|0.085856|0.101613|0.092915|0.090057|0.299687|0.299708|0.500000| |2.376544|2.771196|0.071855|2.941602|5.926371|3.539984|2.673698|2.971286|2.626544|2.453820|2.312405|2.832327|2.570376|3.700898|0.070124|3.159114|4.471924|0.100240|2.206066|2.185868|3.037602|4.415805|3.896504|6.757279|4.636535|6.743503|7.169857|4.894514|3.873154|3.805366|5.559302|2.633589|7.638686|3.608853|16.448126|17.572113|0.067792|0.062465|0.059909|0.078238|0.064932|0.098632|0.080684|0.074231|0.061019|0.058167|0.060829|0.092111|0.055604|0.060208|0.054237|0.064796|0.058569|0.090024|0.216853|0.088022|0.065923|0.069678|0.073277|0.107919|0.087521|0.090190|0.500000| |2.250121|2.665697|0.071624|2.771229|5.311378|3.425171|2.573586|2.977528|2.762493|2.562989|2.319936|3.155177|2.920073|4.436998|0.084629|3.934276|5.246381|0.115806|2.431696|2.319723|3.188168|4.205411|3.854744|7.103982|4.520652|6.663486|6.897973|4.663265|3.713763|3.672869|5.352601|2.539076|7.259179|3.744953|16.421753|17.542772|0.062424|0.059840|0.057191|0.072641|0.063031|0.098196|0.080762|0.078549|0.064576|0.058194|0.061014|0.121797|0.061287|0.066637|0.057040|0.067949|0.060164|0.082655|0.226974|0.085418|0.063664|0.069081|0.068751|0.120146|0.091947|0.091381|0.298651|0.500000| |1.987439|2.268210|0.060254|2.350668|4.563228|2.910670|2.192057|2.438861|2.244708|2.105087|1.963569|2.469652|2.327967|3.450398|0.067343|2.897019|3.883959|0.084272|2.020659|1.955775|2.669452|3.543310|3.063606|5.402298|3.624591|4.900500|5.897743|4.445716|3.420797|3.188638|5.140262|2.414868|7.702375|3.925803|17.011655|17.659200|0.056098|0.053173|0.050730|0.062985|0.054589|0.077938|0.067122|0.063245|0.053637|0.050042|0.052108|0.087381|0.051490|0.055998|0.049062|0.057469|0.051281|0.072001|0.145171|0.075183|0.061867|0.064093|0.065471|0.124420|0.091852|0.100603|0.299768|0.300306|0.500000|
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