Version2.1 2021-01-16T11:44:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1Nc2ccc(cc2C(=O)N1c3cccc(c3)C(=O)NCCc4c[nH]c[nH+]4)OCC(=C)C C63818484 RHF 6-31G(d) (6D,7F) C[C@@H]1Nc2ccc(cc2C(=O)N1c3cccc(c3)C(=O)NCCc4c[nH]c[nH+]4)OCC(=C)C C01[X(C25H28N5O3)] 177 C1 551 CC(=C)COc1ccc2c(c1)C(=O)N([C@@H](N2)C)c1cccc(c1)C(=O)NCCc1c[nH]c[nH+]1 CC(=C)COc1ccc2c(c1)C(=O)N([C@@H](N2)C)c1cccc(c1)C(=O)NCCc1c[nH]c[nH+]1 C[C@@H]1Nc2ccc(OCC(C)=C)cc2C(=O)N1c3cccc(c3)C(=O)NCCc4c[nH]c[nH+]4 InChIKey=RNFCVTLSSVYOJG-QGZVFWFLSA-O InChI=1S/C25H27N5O3/c1-16(2)14-33-21-7-8-23-22(12-21)25(32)30(17(3)29-23)20-6-4-5-18(11-20)24(31)27-10-9-19-13-26-15-28-19/h4-8,11-13,15,17,29H,1,9-10,14H2,2-3H3,(H,26,28)(H,27,31)/p+1/t17-/m1/s1 InChI=1/C25H27N5O3/c1-16(2)14-33-21-7-8-23-22(12-21)25(32)30(17(3)29-23)20-6-4-5-18(11-20)24(31)27-10-9-19-13-26-15-28-19/h4-8,11-13,15,17,29H,1,9-10,14H2,2-3H3,(H,26,28)(H,27,31)/p+1/t17-/m1/s1/fC25H28N5O3/h26-28H/q+1 C[C@@H]1Nc2ccc(cc2C(=O)N1c3cccc(c3)C(=O)NCCc4c[nH]c[nH+]4)OCC(=C)C C01[X(C25H28N5O3)] 177 C01 551 CC(=C)COc1ccc2c(c1)C(=O)N([C@@H](N2)C)c1cccc(c1)C(=O)NCCc1c[nH]c[nH+]1 CC(=C)CO[C]1[CH][CH][C]2[C]([CH]1)C(=O)N([C@@H](N2)C)[C]1[CH][CH][CH][C]([CH]1)[C]([O])NCCC1=C[NH][CH][NH]1 C[C@@H]1N[C]2[CH][CH][C]([CH][C]2C(=O)N1[C]3[CH][CH][CH][C]([CH]3)[C]([O])NCCC4=CN[CH]N4)OCC(C)=C InChIKey=JCWGPQYRQQTGJT-QGZVFWFLSA-N InChI=1S/C25H28N5O3/c1-16(2)14-33-21-7-8-23-22(12-21)25(32)30(17(3)29-23)20-6-4-5-18(11-20)24(31)27-10-9-19-13-26-15-28-19/h4-8,11-13,15,17,26,28-29H,1,9-10,14H2,2-3H3,(H,27,31)/t17-/m1/s1 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8265.1130 42473.8484 45509.2178 0.99999 0.00459 0.00111 -0.00458 0.99994 -0.00956 -0.00116 0.00955 0.99995 1 0.01048 0.00204 0.00190 0.21836 0.04249 0.03966 11.05 24.16 28.81 34.54 55.30 60.05 79.19 93.93 99.60 125.44 140.47 151.23 170.68 189.54 224.36 230.15 258.73 266.64 282.32 289.10 307.34 332.87 373.80 399.10 418.94 424.78 447.37 456.00 520.33 544.67 582.87 615.30 638.18 671.66 678.43 679.89 689.94 722.00 740.00 752.86 788.92 817.98 833.69 854.99 868.04 902.04 908.28 961.43 973.40 981.15 995.08 1042.18 1056.57 1085.06 1099.55 1109.43 1120.76 1123.60 1130.02 1231.99 1237.21 1260.14 1283.21 1309.23 1319.09 1336.45 1351.71 1355.90 1396.11 1432.16 1460.59 1465.92 1492.65 1498.58 1513.09 1516.84 1524.40 1537.25 1545.76 1547.09 1555.11 1573.05 1580.01 1601.11 1605.08 1611.15 1615.19 1634.45 1670.09 1674.09 1682.48 1715.15 1734.46 1739.78 1753.49 1764.81 1778.32 1790.29 1815.83 1852.79 1861.33 1882.13 1909.70 1919.90 1927.68 1950.93 1984.68 1989.02 1991.33 2011.37 2021.14 2029.27 2059.57 2074.14 2076.87 2089.60 2105.14 2159.66 2183.25 2238.09 2238.95 2248.52 2253.22 2281.48 2286.00 2294.43 2311.15 2314.69 2335.36 2340.84 2351.08 2358.40 2359.95 2360.27 2386.53 2387.30 2388.95 2391.67 2419.77 2471.92 2480.02 2563.21 2579.46 2599.45 2632.59 2642.66 2691.61 2729.67 2798.03 4566.77 4592.96 4612.61 4619.28 4655.23 4662.23 4699.99 4703.42 4712.73 4728.95 4740.35 4744.86 4772.98 4816.72 4834.05 4849.34 4880.46 4905.82 4907.96 4910.10 4922.97 4948.58 4975.94 5020.94 5024.13 5488.25 5572.00 5608.02 0.543529 0.571912 0.572856 0.479079 -1459.138918 -1459.110534 -1459.109590 -1459.203367 3.145296D-04 MUNgauss RevisionA2.0 retrievium 16-Jan-2021 DUDE C[C@@H]1Nc2ccc(cc2C(=O)N1c3cccc(c3)C(=O)NCCc4c[nH]c[nH+]4)OCC(=C)C C63818484 RHF 6-31G(d) (6D,10F) C1 446.219215 |X|Y|Z| 147.263009 56.655031 40.306709 69.540290 25 6 7 20 5 |36.858105| |12.441766|36.858105| |8.908987|17.622989|0.500000| |7.628290|13.161434|0.258920|53.358707| |6.105245|7.894233|0.160894|18.539022|36.858105| |4.607724|5.204117|0.118544|10.616949|13.771475|36.858105| |3.700930|3.983606|0.093179|6.999122|7.912009|13.729517|36.858105| |3.555196|3.815027|0.088572|6.175870|6.800828|7.899085|13.724629|36.858105| |4.129209|4.584988|0.102818|7.051771|7.888914|6.894552|7.979767|13.748076|36.858105| |5.526051|6.819321|0.140512|10.794161|13.657387|7.976564|6.906868|7.920818|13.770959|36.858105| |5.835111|7.676643|0.160163|9.238186|7.637354|5.075800|4.489614|5.070200|7.692857|12.821354|36.858105| |4.478594|5.323841|0.123107|6.493709|5.305924|4.018595|3.819689|4.526156|6.735196|8.059523|15.883627|73.516695| |7.673808|13.012663|0.257571|10.988127|6.871356|4.585034|3.813346|3.954749|5.182107|7.893334|13.861544|15.038457|53.358707| |5.820477|7.678647|0.207968|7.165868|4.549951|3.420024|2.979053|3.114130|3.904580|5.100874|7.911187|12.519926|18.229049|36.858105| |5.147967|5.536436|0.147141|5.505573|3.713370|2.936449|2.650884|2.821816|3.495992|4.245039|6.142339|11.118452|10.585540|13.720836|36.858105| |3.895333|4.107322|0.115902|4.367235|2.949882|2.433493|2.229474|2.356719|2.819818|3.270998|4.335636|8.119533|6.981670|7.921240|13.762480|36.858105| |3.404572|3.763584|0.111738|4.132081|2.737474|2.283836|2.081432|2.170535|2.551495|2.954506|3.794890|6.981646|6.169337|6.850984|7.941274|13.773780|36.858105| |3.572574|4.260423|0.132170|4.707287|3.024412|2.489269|2.228944|2.295507|2.698525|3.202575|4.121890|7.301517|7.006625|7.913967|6.874875|7.937332|13.698318|36.858105| |4.483397|5.958931|0.186970|6.256039|3.871074|3.039326|2.651533|2.718990|3.272625|4.101359|5.578134|9.242432|10.712394|13.776480|7.958771|6.883309|7.921948|13.703054|36.858105| |2.923586|3.457796|0.108588|4.075455|2.630086|2.231904|2.009867|2.045680|2.341863|2.715198|3.290971|5.812287|5.313593|5.085206|4.473656|5.032555|7.535203|12.795901|7.737264|36.858105| |2.887015|3.485905|0.112577|4.233615|2.677471|2.289598|2.037940|2.039516|2.302032|2.684012|3.150196|5.400494|5.109855|4.545687|3.822332|4.013869|5.296623|8.054997|6.761766|15.620554|73.516695| |2.470607|2.815321|0.085669|3.389789|2.252058|1.951260|1.790637|1.836669|2.082942|2.348105|2.796483|5.080484|4.308693|3.977430|3.777761|4.460775|6.544497|7.860871|5.254501|14.170121|15.161543|53.358707| |2.124406|2.393519|0.072636|2.967396|1.984764|1.755309|1.620320|1.649683|1.837344|2.041058|2.352386|4.245047|3.552112|3.100591|2.940697|3.340505|4.398046|5.018719|3.891878|7.737105|12.166764|17.904185|36.858105| |1.974720|2.249551|0.067339|2.869032|1.945287|1.737210|1.615608|1.647033|1.822843|2.002585|2.274239|4.125734|3.348645|2.823331|2.625046|2.862497|3.558945|4.124915|3.485787|5.810897|10.229777|10.262243|12.260488|36.858105| |1.929315|2.213993|0.066874|2.882203|1.938894|1.748152|1.616085|1.625854|1.777517|1.957332|2.175558|3.868414|3.213041|2.627116|2.387373|2.521900|3.039793|3.599672|3.230643|4.923160|9.975081|7.311898|7.393766|12.688693|36.858105| |1.722143|1.953749|0.058484|2.585233|1.756509|1.609026|1.498189|1.501292|1.620281|1.762660|1.921628|3.412070|2.798308|2.235032|2.048672|2.141183|2.502806|2.874815|2.657007|3.659613|7.290052|5.334102|5.060307|7.339000|14.162279|36.858105| |1.739689|1.983008|0.059743|2.661532|1.794930|1.655457|1.531383|1.516993|1.623436|1.772938|1.905506|3.333112|2.787098|2.184997|1.975892|2.028584|2.337095|2.712506|2.586583|3.377034|7.033003|4.634118|4.099680|5.184906|8.696651|13.778452|53.358707| |1.620634|1.832531|0.054884|2.482355|1.684454|1.570136|1.458725|1.439984|1.527758|1.656648|1.759854|3.073835|2.554906|1.978540|1.799028|1.836870|2.084396|2.382854|2.299158|2.876044|5.880207|3.935033|3.397791|4.131374|6.038967|8.952280|25.985136|0.500000| |1.959432|2.270171|0.069527|3.041227|2.014017|1.838896|1.678068|1.652009|1.777032|1.970724|2.127937|3.674261|3.167675|2.487338|2.203011|2.242652|2.606474|3.124825|3.016242|3.979961|8.905904|5.170827|4.408190|5.251578|8.654572|8.670128|19.706570|0.257177|36.858105| |2.122673|2.480437|0.076412|3.246734|2.139659|1.919307|1.747849|1.737710|1.897995|2.122822|2.348785|4.087082|3.536909|2.863302|2.525469|2.610833|3.135199|3.876189|3.605554|5.361765|12.576807|6.977623|6.130544|7.533689|13.788547|8.748663|12.196397|0.171499|14.574498|53.358707| |2.385757|2.833633|0.088955|3.647885|2.360587|2.083901|1.876356|1.863617|2.055784|2.337467|2.625687|4.525881|4.050158|3.339007|2.882633|2.973165|3.645538|4.750314|4.397009|7.019806|19.701402|8.195228|6.514360|6.893171|9.026964|6.048522|8.314295|0.130727|9.096324|25.413531|0.500000| |2.898497|3.031942|0.072683|4.675853|4.590995|5.178480|7.839142|14.101964|8.201631|5.286473|3.971655|6.784693|4.335132|2.645430|2.469816|2.114957|1.952547|2.036215|2.346730|1.834807|3.233965|2.280620|1.517995|1.523476|1.499042|1.394838|1.910041|0.037169|1.511044|2.155377|0.046715|73.516695| |2.520946|2.600762|0.063751|4.031928|3.773066|4.496779|6.684042|7.997287|5.261204|3.981461|3.129659|5.320731|3.603867|2.247923|2.108865|1.840760|1.718326|1.791183|2.035293|1.639160|2.911385|2.050644|1.381372|1.390479|1.378756|1.294983|1.782736|0.034924|1.403484|1.981466|0.042646|24.218095|36.858105| |2.155523|2.204218|0.054891|3.308759|2.957481|3.330125|4.389376|5.191648|4.050937|3.177262|2.659390|4.676997|3.097532|1.990694|1.902224|1.688550|1.578729|1.628452|1.817252|1.499489|2.647770|1.899802|1.286873|1.299003|1.282507|1.210586|1.657939|0.032567|1.293462|1.824653|0.039015|14.152564|12.638875|36.858105| |2.093541|2.140778|0.053388|3.140468|2.774325|2.985330|3.764307|4.668858|3.976373|3.090291|2.673215|4.847042|3.078090|2.005721|1.941189|1.730692|1.610548|1.647280|1.825037|1.511568|2.645545|1.927700|1.302326|1.315109|1.287818|1.213238|1.649511|0.032332|1.282027|1.818544|0.038850|12.392699|7.661228|14.448353|36.858105| |1.905332|1.935802|0.048909|2.903706|2.520216|2.864556|3.613109|3.888887|3.140408|2.612665|2.230163|3.894946|2.674428|1.740653|1.666317|1.497402|1.411459|1.455903|1.609581|1.354912|2.405121|1.724380|1.178490|1.191282|1.182862|1.124596|1.546142|0.030533|1.201321|1.681899|0.035779|9.037656|7.545515|12.628721|7.656425|36.858105| |17.577186|8.769168|0.173633|9.312972|6.584388|5.057150|4.179771|4.093808|4.797610|6.288789|6.153662|8.425326|9.335384|5.085087|4.736128|3.588968|3.083502|3.169358|3.890089|2.619689|4.560446|3.078085|1.958239|1.840599|1.791731|1.611208|2.207639|0.042159|1.807247|2.651678|0.060097|5.859405|2.821265|2.387891|2.317686|2.084418|0.500000| |17.565106|8.798349|0.213709|7.576018|4.671103|3.684028|3.110645|3.076041|3.588732|4.565024|5.225746|7.642351|9.495746|6.253176|6.086137|4.569188|3.842133|3.874423|4.699740|3.083263|5.285577|3.557655|2.219379|2.025144|1.953104|1.732783|2.361266|0.044734|1.948132|2.901589|0.066772|4.609541|2.266523|1.981113|1.949883|1.759086|0.300546|0.500000| |17.542417|8.816244|0.214393|9.380103|5.390493|4.431400|3.516518|3.246644|3.575940|4.551277|4.506999|6.414359|7.593014|4.546839|4.076931|3.300229|2.985124|3.149362|3.817363|2.677476|4.796009|3.104402|1.997980|1.860820|1.841033|1.657827|2.300722|0.043989|1.904779|2.772420|0.063240|4.764962|2.396225|2.049728|1.967522|1.841112|0.300714|0.301661|0.500000| |6.984374|9.315800|0.223789|25.975473|9.461944|7.401661|4.824482|4.045927|4.312701|5.862746|5.038112|6.807384|7.977062|4.313758|3.479382|2.859575|2.735509|3.086002|3.923646|2.743561|5.138659|3.137219|2.050436|1.980288|2.011900|1.822149|2.578337|0.049408|2.164182|3.098724|0.070577|5.594777|2.810567|2.312204|2.168576|2.067171|0.171005|0.142649|0.204665|0.500000| |4.287800|4.738903|0.113688|9.636222|8.919137|17.705230|8.937857|5.637246|4.962376|5.653885|4.117896|5.956648|5.408556|3.084450|2.661199|2.249033|2.138488|2.338974|2.817535|2.131997|3.939779|2.539235|1.695608|1.677613|1.706269|1.580306|2.233822|0.043447|1.827019|2.567140|0.056720|7.435100|3.902330|2.981765|2.651757|2.666748|0.125336|0.095830|0.121696|0.219260|0.500000| |3.169205|3.331988|0.080522|5.688113|5.659864|8.988401|17.762292|8.875708|5.654701|4.973475|3.583974|5.602675|4.296102|2.559534|2.310978|1.983270|1.866355|1.989661|2.322362|1.819913|3.294725|2.227020|1.496595|1.497344|1.505830|1.408211|1.966570|0.038467|1.574096|2.211064|0.048068|12.444752|7.392522|4.685627|3.794862|4.034425|0.097781|0.075388|0.086016|0.114223|0.218302|0.500000| |3.666200|3.988210|0.092030|5.724818|5.632266|4.966818|5.666554|8.934456|17.762569|8.949288|7.146284|13.347194|6.462113|3.809017|3.543164|2.886153|2.584445|2.683628|3.185648|2.319071|3.988973|2.846331|1.838736|1.826800|1.760090|1.602935|2.164459|0.041519|1.727017|2.525333|0.055591|13.388966|4.851013|4.042452|4.232161|3.084062|0.116889|0.092372|0.087807|0.098980|0.107745|0.124148|0.500000| |5.457130|5.317236|0.132638|5.389693|3.793326|3.020877|2.768007|2.992509|3.745074|4.456984|6.309550|11.586088|9.716826|8.937561|17.751506|8.916206|5.649289|4.955901|5.664038|3.573590|5.611567|4.256628|2.529003|2.296024|2.109718|1.841826|2.429529|0.045569|1.970905|3.021079|0.069208|4.671625|2.225059|2.008267|2.058720|1.747501|0.148913|0.182028|0.117274|0.095061|0.075219|0.066792|0.106823|0.500000| |3.464552|3.480210|0.096786|3.809314|2.627414|2.216244|2.061517|2.188802|2.584795|2.911499|3.708411|7.049596|5.661836|5.642182|8.930629|17.736677|8.931475|5.646095|4.958922|4.090489|5.956303|5.250353|3.010835|2.589939|2.278279|1.963336|2.523694|0.046982|2.020983|3.162003|0.072103|3.547094|1.747983|1.620749|1.670548|1.442466|0.090959|0.113347|0.083043|0.070398|0.057096|0.051391|0.074296|0.215109|0.500000| |2.897956|3.123284|0.092622|3.540194|2.371583|2.023473|1.863150|1.938326|2.239792|2.535448|3.136011|5.803511|4.913361|4.941589|5.660320|8.969461|17.720643|8.848049|5.625027|6.869873|8.627735|9.678455|4.796847|3.693495|3.065441|2.527422|3.161064|0.057544|2.549095|4.178611|0.097201|3.141197|1.571417|1.457417|1.489730|1.312553|0.073776|0.090214|0.072303|0.066269|0.053075|0.046910|0.063270|0.124496|0.216807|0.500000| |4.266451|6.028927|0.197413|6.854690|4.102834|3.225596|2.766165|2.782454|3.295632|4.167812|5.324296|8.473934|9.868930|8.949417|5.660324|4.960530|5.641530|8.912528|17.757679|7.212272|13.377512|6.633372|3.829213|3.576761|3.464826|2.847985|3.857155|0.069677|3.394234|5.501572|0.140164|4.231343|2.077075|1.839941|1.830904|1.635441|0.102789|0.117680|0.104154|0.119353|0.083924|0.067362|0.087224|0.124566|0.107678|0.123743|0.500000| |2.426777|2.719234|0.081065|3.253036|2.194981|1.902222|1.762125|1.826782|2.083456|2.326350|2.798566|5.201376|4.239689|3.964984|3.961649|4.924042|7.382911|7.473621|4.960936|9.444697|10.901086|26.092099|9.053725|6.146672|4.400092|3.396658|4.018213|0.071088|3.204521|5.587742|0.128432|2.981595|1.502781|1.399939|1.429978|1.267153|0.062383|0.071983|0.061708|0.061150|0.050179|0.044683|0.058794|0.091220|0.120648|0.246584|0.122167|0.500000| |2.127187|2.388384|0.073607|2.965115|1.958608|1.738951|1.593743|1.605894|1.775408|1.982554|2.258272|4.003912|3.454683|2.977513|2.797965|3.132168|4.048061|4.673285|3.732227|7.129027|12.798037|12.538830|17.616534|8.712670|7.292025|5.143885|5.948852|0.100163|4.846443|9.130224|0.200638|2.618025|1.347129|1.250889|1.258648|1.150464|0.053996|0.061696|0.056225|0.057555|0.047074|0.041023|0.048909|0.067193|0.078530|0.120827|0.103901|0.183925|0.500000| |1.965916|2.171442|0.065127|2.691168|1.819565|1.620644|1.508302|1.541828|1.711403|1.880617|2.157526|3.929392|3.218074|2.794574|2.736061|3.165571|4.078957|4.297243|3.365689|5.806958|8.945118|12.713274|17.631776|8.825657|5.702801|4.379608|4.820954|0.084140|3.646487|6.356984|0.132808|2.542241|1.305180|1.224031|1.243243|1.123644|0.050731|0.057401|0.051445|0.051832|0.043469|0.038844|0.047873|0.066277|0.081617|0.129763|0.090061|0.234142|0.304728|0.500000| |1.786599|2.004388|0.059363|2.570809|1.763392|1.590683|1.492992|1.526256|1.678278|1.820320|2.047565|3.741357|2.971790|2.476329|2.349592|2.570633|3.116024|3.443805|2.952883|4.487190|7.747880|7.872049|8.764135|17.592389|9.103540|7.018192|6.458896|0.109315|4.444053|7.685865|0.140289|2.532903|1.306885|1.230003|1.248922|1.132357|0.046641|0.050934|0.046927|0.049516|0.042708|0.038645|0.046962|0.057957|0.065984|0.091460|0.083103|0.144538|0.187500|0.232662|0.500000| |2.064351|2.379423|0.070453|3.041359|2.080055|1.845542|1.722352|1.771001|1.977296|2.169787|2.490663|4.578876|3.623946|3.065325|2.823800|3.050763|3.776610|4.446177|3.805694|6.049583|10.215378|10.198134|8.792804|17.568501|8.990909|5.976768|6.214236|0.103709|4.730133|8.925427|0.177190|2.910592|1.483633|1.385257|1.407856|1.262628|0.053740|0.058548|0.053489|0.057621|0.049078|0.044107|0.055373|0.068298|0.075889|0.106142|0.108620|0.179127|0.177945|0.189933|0.304509|0.500000| |1.582456|1.775459|0.052639|2.353049|1.615694|1.489939|1.399102|1.407336|1.513023|1.629393|1.768686|3.163823|2.547645|2.027363|1.884904|1.977424|2.285222|2.559445|2.363614|3.159900|6.057033|4.707557|4.421435|6.223645|8.655282|17.844903|12.076874|0.208800|5.946007|8.023796|0.126644|2.342613|1.227683|1.155205|1.161070|1.076308|0.041410|0.044295|0.042335|0.046123|0.040609|0.036672|0.041790|0.047473|0.050952|0.064718|0.069336|0.086060|0.121537|0.113054|0.190158|0.144999|0.500000| |2.005334|2.330839|0.071869|3.165960|2.077298|1.908379|1.727733|1.681430|1.795066|1.999442|2.129605|3.625888|3.185034|2.454573|2.154045|2.159743|2.470587|2.961763|2.944614|3.635466|8.217448|4.560307|3.701630|4.138893|5.888911|5.894678|12.198663|0.210506|17.823893|12.237112|0.206633|2.721089|1.427903|1.308987|1.289022|1.219372|0.051183|0.054907|0.054686|0.063310|0.053199|0.045157|0.048012|0.053843|0.054034|0.066366|0.093475|0.079635|0.113657|0.086842|0.099363|0.107186|0.126157|0.500000| |2.593176|2.609595|0.063851|4.045796|3.757873|4.612975|6.792309|7.115063|4.804324|3.820089|2.999091|5.010468|3.527622|2.195071|2.069584|1.804721|1.678326|1.742967|1.978494|1.592007|2.831790|1.988064|1.339744|1.339551|1.330229|1.249592|1.724338|0.033811|1.360006|1.917177|0.041339|16.555434|17.500627|8.940992|5.978107|6.913555|0.081448|0.064384|0.069382|0.079789|0.113914|0.225980|0.120093|0.061012|0.047759|0.042677|0.055923|0.040424|0.036465|0.035205|0.034966|0.039475|0.032884|0.038557|0.500000| |2.426590|2.554896|0.063309|4.047935|3.751025|4.607907|6.792093|7.104670|4.796614|3.812723|3.001089|5.053930|3.508509|2.190905|2.027064|1.778860|1.680940|1.771062|2.015464|1.637646|2.934598|2.045232|1.385539|1.404024|1.403207|1.323273|1.832004|0.035985|1.443016|2.024384|0.043443|16.554156|17.499950|8.941593|5.979592|6.911072|0.073983|0.060392|0.064647|0.079052|0.113878|0.226609|0.120041|0.058577|0.046657|0.042751|0.057881|0.041397|0.037613|0.036242|0.036623|0.041603|0.034811|0.040951|0.301822|0.500000| |2.256670|2.319661|0.057376|3.371845|3.009383|3.149714|3.944236|5.221548|4.665636|3.485708|3.030792|5.604485|3.404217|2.211072|2.146134|1.898488|1.753711|1.789252|1.991126|1.627239|2.830137|2.071682|1.389331|1.400736|1.363307|1.276965|1.728806|0.033745|1.346586|1.922885|0.041227|14.112748|6.972354|9.098538|17.763758|5.483150|0.069807|0.058502|0.058084|0.063702|0.076111|0.105453|0.146043|0.063597|0.050827|0.044833|0.055162|0.042848|0.037140|0.036808|0.036866|0.041863|0.033891|0.037481|0.151773|0.151822|0.500000| |1.883319|1.917129|0.048315|2.781247|2.400602|2.555677|3.109714|3.696163|3.274603|2.646641|2.352558|4.300701|2.753897|1.824274|1.780597|1.607262|1.501087|1.527427|1.673227|1.410061|2.464176|1.812001|1.230502|1.244333|1.217148|1.151357|1.562149|0.030693|1.207525|1.709600|0.036365|8.893936|5.490870|9.131227|17.712113|7.009029|0.057414|0.049211|0.049399|0.053674|0.064190|0.087657|0.097203|0.052313|0.043373|0.038842|0.046513|0.037418|0.033016|0.032770|0.032989|0.036923|0.030735|0.033655|0.129353|0.129369|0.288690|0.500000| |1.854291|1.906386|0.048466|2.892182|2.496034|2.869896|3.594628|3.734208|3.008493|2.545250|2.169284|3.765568|2.620579|1.705644|1.618012|1.457799|1.385226|1.439187|1.592505|1.348875|2.408760|1.715092|1.177179|1.195830|1.194241|1.139434|1.572979|0.031140|1.221672|1.701915|0.036112|8.300707|6.819166|8.838496|5.946897|17.515821|0.055769|0.047417|0.050017|0.057475|0.075211|0.113963|0.080904|0.046724|0.038840|0.035804|0.045306|0.034869|0.031972|0.031107|0.031565|0.035192|0.030283|0.034543|0.169715|0.204993|0.128486|0.152241|0.500000| |1.748838|1.772188|0.045064|2.621152|2.239133|2.485944|3.034467|3.295476|2.779902|2.341303|2.045543|3.618384|2.465068|1.625583|1.569083|1.421907|1.341769|1.376760|1.508820|1.285042|2.273798|1.646145|1.128243|1.141727|1.130718|1.077647|1.476942|0.029202|1.142056|1.598982|0.033908|7.461791|5.503312|8.858892|7.265923|17.599711|0.052883|0.045298|0.046886|0.051773|0.064558|0.091539|0.077475|0.045692|0.038248|0.034830|0.042414|0.033699|0.030543|0.029993|0.030269|0.033595|0.028753|0.032100|0.141271|0.141258|0.143290|0.220674|0.301404|0.500000| 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