Version2.0 2020-01-20T19:41:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)C[NH+]2C[C@H](C[C@H]2C(=O)NC[C@@H]3CCC[NH+]4[C@@H]3CCCC4)n5cc(nn5)C(=O)OC C12001658 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)C[NH+]2C[C@H](C[C@H]2C(=O)NC[C@@H]3CCC[NH+]4[C@@H]3CCCC4)n5cc(nn5)C(=O)OC C01[X(C27H40N6O3)] 222 C1 620 COC(=O)c1nnn(c1)[C@@H]1C[NH+]([C@@H](C1)C(=O)NC[C@@H]1CCC[NH+]2[C@@H]1CCCC2)Cc1cccc(c1)C COC(=O)c1nnn(c1)[C@@H]1C[NH+]([C@@H](C1)C(=O)NC[C@@H]1CCC[NH+]2[C@@H]1CCCC2)Cc1cccc(c1)C COC(=O)c1cn(nn1)[C@H]2C[C@H]([NH+](C2)Cc3cccc(C)c3)C(=O)NC[C@@H]4CCC[NH+]5CCCC[C@H]45 InChIKey=AHTMQUUVSNVDMS-HFOXQMJASA-P InChI=1S/C27H38N6O3/c1-19-7-5-8-20(13-19)16-32-17-22(33-18-23(29-30-33)27(35)36-2)14-25(32)26(34)28-15-21-9-6-12-31-11-4-3-10-24(21)31/h5,7-8,13,18,21-22,24-25H,3-4,6,9-12,14-17H2,1-2H3,(H,28,34)/p+2/t21-,22-,24+,25-/m0/s1 InChI=1/C27H38N6O3/c1-19-7-5-8-20(13-19)16-32-17-22(33-18-23(29-30-33)27(35)36-2)14-25(32)26(34)28-15-21-9-6-12-31-11-4-3-10-24(21)31/h5,7-8,13,18,21-22,24-25H,3-4,6,9-12,14-17H2,1-2H3,(H,28,34)/p+2/t21-,22-,24+,25-/m0/s1/fC27H40N6O3/h28,31-32H/q+2 Cc1cccc(c1)C[NH+]2C[C@H](C[C@H]2C(=O)NC[C@@H]3CCC[NH+]4[C@@H]3CCCC4)n5cc(nn5)C(=O)OC C01[X(C27H40N6O3)] 222 C01 620 COC(=O)c1nnn(c1)[C@@H]1C[NH+]([C@@H](C1)C(=O)NC[C@@H]1CCC[NH+]2[C@@H]1CCCC2)Cc1cccc(c1)C COC(=O)[C@H]1NNN(C1)[C@@H]1C[NH]([C@@H](C1)C(=O)NC[C@@H]1CCC[N@@H]2[C@@H]1CCCC2)Cc1cccc(c1)C COC(=O)[C@@H]1CN(NN1)[C@H]2C[C@H]([NH](C2)Cc3cccc(C)c3)C(=O)NC[C@@H]4CCC[NH]5CCCC[C@H]45 InChIKey=UMHYESXMKOHYNT-BDUWWWMKSA-N InChI=1S/C27H44N6O3/c1-19-7-5-8-20(13-19)16-32-17-22(33-18-23(29-30-33)27(35)36-2)14-25(32)26(34)28-15-21-9-6-12-31-11-4-3-10-24(21)31/h5,7-8,13,21-25,29-32H,3-4,6,9-12,14-18H2,1-2H3,(H,28,34)/t21-,22-,23-,24+,25-/m0/s1 InChI=1/C27H44N6O3/c1-19-7-5-8-20(13-19)16-32-17-22(33-18-23(29-30-33)27(35)36-2)14-25(32)26(34)28-15-21-9-6-12-31-11-4-3-10-24(21)31/h5,7-8,13,21-25,29-32H,3-4,6,9-12,14-18H2,1-2H3,(H,28,34)/t21-,22-,23-,24+,25-/m0/s1/f/h28H 4121.2141091328 -1596.5601833 1-A 20570.9268 133 487 620 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.75843 -20.74608 -20.70234 -15.91969 -15.90743 -15.87936 -15.84918 -15.80977 -15.80129 -11.57522 -11.54243 -11.53099 -11.52876 -11.52481 -11.51078 -11.50916 -11.49704 -11.49681 -11.49146 -11.47911 -11.47691 -11.45728 -11.45108 -11.44108 -11.43706 -11.43337 -11.43318 -11.43062 -11.42251 -11.42012 -11.41866 -11.41691 -11.41630 -11.41185 -11.40754 -11.38002 -1.67872 -1.62783 -1.61846 -1.56914 -1.54972 -1.52331 -1.45629 -1.45393 -1.35369 -1.32727 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0.69272 0.69742 0.70333 0.70755 0.71327 0.72017 0.72072 0.73074 0.73281 0.73610 0.73951 0.74272 0.75272 0.75834 0.76605 0.77241 0.77678 0.78041 0.79378 0.80047 0.80403 0.81290 0.81796 0.81982 0.82442 0.82950 0.83191 0.83571 0.83949 0.84637 0.84774 0.85208 0.86790 0.87415 0.87871 0.88154 0.88306 0.88887 0.88977 0.89995 0.90447 0.90885 0.91360 0.91707 0.92121 0.92421 0.93108 0.93270 0.93479 0.93784 0.94309 0.94671 0.94998 0.95333 0.95665 0.96066 0.96487 0.97275 0.97538 0.97716 0.98015 0.98102 0.98650 0.99575 0.99974 1.00100 1.00323 1.00685 1.01080 1.01431 1.01608 1.02366 1.02667 1.03239 1.04011 1.04304 1.04385 1.04826 1.05150 1.05899 1.06248 1.06658 1.06851 1.07017 1.08421 1.08993 1.09616 1.09880 1.10603 1.10973 1.11843 1.12220 1.13010 1.14163 1.15924 1.17154 1.17768 1.18220 1.19780 1.20956 1.21213 1.23193 1.23675 1.24126 1.24850 1.25073 1.25632 1.26057 1.26839 1.28657 1.29337 1.30267 1.31243 1.31313 1.33327 1.34298 1.35426 1.36716 1.37682 1.37762 1.38928 1.39274 1.40481 1.41377 1.42362 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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 16285.9241 24398.6265 32795.6022 0.99954 0.03025 -0.00101 -0.03026 0.99951 -0.00811 0.00077 0.00814 0.99997 1 0.00532 0.00355 0.00264 0.11082 0.07397 0.05503 16.28 22.59 27.06 33.36 46.95 55.10 64.10 76.89 82.31 85.98 116.07 127.73 144.29 159.36 166.61 183.73 191.63 217.29 236.24 253.67 274.95 302.67 333.27 350.42 366.99 383.48 392.48 406.16 424.53 460.46 476.63 486.10 500.17 505.75 541.84 568.90 594.57 603.69 623.37 635.87 667.34 686.24 701.00 714.83 722.72 747.47 795.07 803.56 815.25 828.22 872.20 917.00 945.52 960.89 990.55 1017.00 1036.26 1088.60 1112.12 1144.77 1154.63 1161.13 1180.75 1206.10 1229.79 1254.25 1274.00 1276.79 1287.48 1303.27 1319.09 1346.04 1371.03 1384.15 1405.93 1418.37 1436.45 1442.76 1455.07 1460.02 1476.66 1479.22 1501.97 1512.05 1522.18 1522.85 1532.15 1544.09 1561.38 1587.06 1590.93 1595.70 1598.68 1614.71 1621.42 1635.83 1642.93 1652.15 1661.29 1665.64 1674.63 1688.77 1690.96 1694.68 1708.45 1738.24 1746.72 1748.71 1797.24 1808.20 1843.49 1851.89 1861.65 1862.24 1870.66 1885.74 1894.80 1914.38 1917.50 1921.85 1962.65 1979.99 1986.56 2007.15 2017.21 2022.05 2033.42 2042.49 2054.70 2057.42 2059.61 2090.86 2098.33 2112.50 2120.94 2127.38 2136.37 2147.90 2150.52 2159.47 2171.97 2173.87 2185.82 2195.83 2208.98 2214.81 2232.46 2234.89 2237.09 2254.74 2256.94 2257.42 2264.79 2275.03 2279.88 2291.71 2300.24 2320.26 2343.88 2348.17 2348.91 2349.49 2349.92 2352.64 2355.20 2358.87 2360.78 2362.82 2363.55 2364.76 2369.21 2375.23 2378.55 2382.07 2387.07 2395.73 2496.98 2518.32 2572.43 2605.09 2819.57 2894.87 4620.84 4623.18 4625.37 4629.82 4638.81 4641.74 4670.84 4685.04 4697.26 4700.36 4706.83 4709.23 4710.99 4712.20 4717.71 4718.97 4723.49 4724.84 4731.42 4733.64 4739.38 4752.74 4784.12 4786.45 4786.89 4792.71 4798.37 4799.72 4808.70 4810.84 4829.42 4830.98 4836.32 4852.36 4860.54 4882.89 5014.15 5277.89 5311.89 5504.00 0.720567 0.752364 0.753308 0.652179 -1595.839616 -1595.807819 -1595.806875 -1595.908004 3.391883D-04 MUNgauss RevisionA2.0 retrievium 20-Jan-2020 DUDE Cc1cccc(c1)C[NH+]2C[C@H](C[C@H]2C(=O)NC[C@@H]3CCC[NH+]4[C@@H]3CCCC4)n5cc(nn5)C(=O)OC C12001658 RHF 6-31G(d) (6D,10F) C1 496.316189 |X|Y|Z| 83.393221 105.988790 48.814537 75.563713 30 6 7 24 6 |36.858105| |12.610162|36.858105| |7.529663|13.724572|36.858105| |4.999009|7.873362|13.717921|36.858105| |4.419466|6.802653|7.939883|13.796883|36.858105| |5.010506|7.869549|6.891791|7.947648|13.675959|36.858105| |7.558742|13.675377|7.988223|6.891911|7.922547|13.747517|36.858105| |3.789296|5.014544|4.462493|5.048294|7.602135|12.655978|7.588811|36.858105| |3.226061|4.058241|3.749599|4.247590|5.900686|7.556731|5.473183|12.544025|53.358707| |3.142780|4.019400|3.919660|4.670049|6.621644|7.290272|5.118917|9.231641|25.654725|0.500000| |2.608830|3.117457|2.935316|3.291257|4.278632|4.969894|3.938872|7.594969|17.311869|0.260450|36.858105| |2.349153|2.725485|2.585569|2.841638|3.485640|3.886659|3.293243|5.053181|10.885066|0.200114|12.494633|36.858105| |2.114469|2.400538|2.274731|2.467629|2.954723|3.269492|2.852445|4.165259|7.811350|0.143811|8.805863|17.659763|0.500000| |2.603809|2.983209|2.747123|2.917684|3.499764|4.067813|3.633102|5.016340|10.659867|0.187485|7.916751|12.348115|0.241332|36.858105| |3.288988|3.930908|3.486200|3.679663|4.594548|5.875856|5.155721|7.401097|17.149014|0.255902|7.981716|7.688860|0.158152|12.268754|36.858105| |3.469993|4.027190|3.410857|3.466867|4.236428|5.713229|5.449852|7.308888|12.436074|0.183060|6.754476|6.087851|0.139551|8.751374|17.678413|0.500000| |3.746485|4.476150|3.964685|4.038640|4.716704|5.726085|5.505795|5.681370|10.050338|0.199020|5.053173|5.123252|0.113765|7.326717|12.387502|0.252753|36.858105| |4.196810|4.697223|3.934698|3.742867|4.127251|5.077825|5.572558|4.806885|7.384871|0.141382|4.049913|4.054723|0.095590|5.589149|8.112634|0.221937|15.908371|73.516695| |3.404784|4.116659|3.967628|4.227189|4.794601|5.115255|4.668192|4.817523|8.488795|0.199310|4.529476|4.750542|0.105392|6.009806|7.709946|0.160162|14.171137|15.062028|53.358707| |3.471733|4.049357|4.056607|4.142826|4.235917|4.252998|4.158031|3.750019|5.883284|0.134677|3.382627|3.502639|0.082190|4.183232|4.960198|0.116699|7.772360|12.052019|17.831680|36.858105| |2.801705|3.087763|3.082920|3.121719|3.171174|3.189240|3.146771|2.964814|4.680168|0.104314|2.899943|3.153376|0.076333|3.757807|3.998918|0.096552|5.537718|9.203308|10.363494|12.332046|36.858105| |2.505740|2.795265|2.835257|2.964284|3.065454|3.027659|2.889832|2.886496|4.668060|0.106323|2.970893|3.314829|0.080141|3.827570|3.874502|0.091648|4.984067|7.820141|9.587466|8.962511|17.529589|0.500000| |2.658574|2.832903|2.712547|2.686264|2.776310|2.916637|2.948138|2.806912|4.451313|0.094604|2.830199|3.159861|0.078050|3.967281|4.046395|0.100726|5.480096|9.875070|8.504917|7.391195|12.400648|0.247621|36.858105| |2.863805|2.914444|2.726873|2.592433|2.614141|2.785876|2.952305|2.624895|3.965520|0.082200|2.512484|2.702431|0.067863|3.353464|3.574544|0.094163|4.784362|9.796427|6.673195|5.916778|7.500699|0.153394|12.479214|36.858105| |2.662651|2.664253|2.567981|2.426119|2.373630|2.453749|2.599706|2.273356|3.350381|0.070393|2.150131|2.277878|0.057782|2.694193|2.862213|0.075669|3.653610|7.173803|5.310994|4.964511|6.421386|0.136721|7.606485|12.548396|36.858105| |2.797624|2.859889|2.860751|2.717041|2.591702|2.595884|2.720080|2.343672|3.427816|0.073723|2.170952|2.266471|0.056881|2.615855|2.832512|0.073569|3.651731|6.877191|5.647798|5.840731|7.480966|0.154760|6.502566|7.608309|12.643559|53.358707| |3.257760|3.309947|3.305136|3.058261|2.861334|2.869685|3.070483|2.524966|3.628110|0.077904|2.253878|2.308447|0.057552|2.668705|2.985357|0.078075|3.932079|7.572710|6.005976|6.416655|6.882710|0.141300|5.817781|7.024351|9.304084|25.699448|0.500000| |2.622432|2.803469|2.868606|2.849646|2.769639|2.717831|2.734219|2.482181|3.742108|0.082667|2.372463|2.519970|0.062529|2.880321|3.059811|0.076783|3.951706|6.931376|6.676800|7.341478|12.310056|0.252487|7.537138|6.450449|7.544649|17.020095|0.255905|36.858105| |2.293082|2.426147|2.469276|2.469710|2.428013|2.392475|2.391954|2.235077|3.387787|0.074278|2.205311|2.380385|0.059903|2.696814|2.766797|0.069814|3.428857|5.999398|5.610820|5.457942|8.919131|0.226365|6.986667|5.832200|7.063060|12.548181|0.182513|17.574248|0.500000| |2.585923|2.810119|3.016158|3.055420|2.876145|2.701714|2.675405|2.418412|3.570504|0.080389|2.265935|2.351754|0.058346|2.584825|2.778680|0.069711|3.461408|5.922204|5.903342|6.230891|7.331499|0.187966|4.849547|4.348851|4.937827|10.393794|0.196601|12.437416|0.247022|36.858105| |2.302816|2.427022|2.605332|2.594636|2.409880|2.269677|2.277786|2.045366|2.957974|0.065445|1.918285|1.979832|0.050006|2.148069|2.282348|0.058534|2.739795|4.802924|4.398148|4.216842|4.823561|0.126563|3.757913|3.612708|4.385794|8.803126|0.162064|7.487228|0.192869|12.467327|36.858105| |2.427812|2.472729|2.608874|2.501525|2.297220|2.204610|2.277864|1.971766|2.803573|0.060909|1.811607|1.854027|0.047076|2.036922|2.190165|0.057254|2.643481|4.803843|4.076713|3.880017|4.307081|0.106527|3.617601|3.796235|4.969794|10.308697|0.195518|6.431650|0.162101|7.629427|12.482753|36.858105| |2.462475|2.471732|2.515784|2.387492|2.243056|2.214185|2.315589|2.005693|2.883211|0.061859|1.863446|1.931386|0.049143|2.170489|2.319021|0.060959|2.843231|5.298964|4.306886|4.114319|4.890305|0.115061|4.406882|4.975491|7.728728|17.157706|0.258473|7.565913|0.197498|6.550487|7.594045|12.531675|36.858105| |2.196316|2.559022|2.515391|2.826912|3.410452|3.548182|2.980939|4.258783|8.526337|0.190118|7.774861|13.111358|0.258062|7.668724|5.727681|0.125319|4.576329|6.405079|6.536173|3.625231|3.332636|0.101976|3.202515|2.653284|2.283387|3.156836|0.064904|2.663166|0.070411|2.528028|2.109487|1.929968|1.986122|53.358707| |1.910282|2.185107|2.174077|2.428243|2.834837|2.875558|2.476121|3.329086|5.974063|0.131446|5.331472|7.513829|0.199826|5.265652|4.111343|0.096094|3.522021|5.190570|5.103907|3.049266|2.930064|0.091159|2.826665|2.356719|2.074291|2.866781|0.058219|2.422664|0.065445|2.323216|1.976548|1.796262|1.839003|19.466678|36.858105| |1.882309|2.161467|2.200788|2.489608|2.854349|2.784390|2.395817|3.078291|5.330635|0.123666|4.320048|5.336158|0.134912|4.273600|3.635290|0.084950|3.335816|4.930770|5.119460|3.170703|3.080224|0.098863|2.852004|2.351044|2.111018|2.980724|0.060212|2.579165|0.069910|2.531821|2.142228|1.906030|1.923898|12.165364|13.919110|36.858105| |2.126692|2.493400|2.571833|2.970652|3.445951|3.284007|2.766552|3.545693|6.297735|0.157778|4.684353|5.483409|0.127166|4.637279|4.199198|0.094732|3.989151|5.693299|6.527378|3.938715|3.682333|0.120123|3.246116|2.632425|2.354468|3.394563|0.069163|3.002640|0.079500|2.985935|2.447811|2.151751|2.155982|12.272052|8.674296|14.166005|53.358707| |2.378048|2.832663|2.855246|3.296524|3.998779|3.970577|3.258487|4.485745|8.936887|0.236474|6.510028|7.938531|0.162018|6.438286|5.778086|0.122131|5.132934|6.909569|8.222242|4.438048|3.927547|0.123196|3.536132|2.869692|2.490006|3.542554|0.073208|3.076936|0.079853|2.978565|2.416349|2.170305|2.205589|19.459195|8.727079|8.962066|20.473871|53.358707| |1.659284|1.875893|1.925730|2.157913|2.403111|2.317436|2.036233|2.502712|4.096620|0.092745|3.269939|3.824863|0.102107|3.240154|2.836357|0.068652|2.677236|4.100274|4.073668|2.664745|2.664402|0.085335|2.475855|2.075815|1.908879|2.701065|0.054091|2.325258|0.064228|2.316521|2.012060|1.780828|1.782814|7.250752|7.513550|12.829307|10.253689|7.279233|36.858105| |1.530892|1.711734|1.742082|1.928868|2.139285|2.091264|1.858540|2.278053|3.673829|0.080817|3.001155|3.519624|0.098370|2.976357|2.571495|0.063453|2.397501|3.733643|3.547617|2.332900|2.349179|0.073883|2.238727|1.905535|1.754401|2.450767|0.049009|2.072845|0.057674|2.046301|1.806573|1.619309|1.630495|6.266201|6.617710|8.198051|7.257389|5.838696|16.040401|73.516695| |1.645098|1.860098|1.940307|2.184741|2.386126|2.249443|1.985247|2.359920|3.772091|0.086630|2.886828|3.238705|0.084746|2.862683|2.609364|0.063428|2.547370|3.932126|3.965683|2.684907|2.702304|0.087447|2.441839|2.051912|1.922292|2.769312|0.055299|2.413867|0.066862|2.469044|2.153741|1.872880|1.846588|5.851811|5.253919|8.173208|9.249958|6.419840|14.603623|15.220153|73.516695| |1.472493|1.643087|1.715583|1.909195|2.048614|1.933896|1.733565|2.011825|3.126828|0.070325|2.391521|2.634193|0.070508|2.372127|2.183446|0.054193|2.144623|3.385578|3.278728|2.275859|2.319897|0.073776|2.123404|1.819808|1.731921|2.488257|0.049487|2.136655|0.059915|2.199812|1.974852|1.724349|1.691758|4.477248|3.921661|5.201746|6.124891|4.742370|8.165897|12.647094|23.672953|36.858105| |17.553154|8.867977|6.100101|4.388989|3.984790|4.522434|6.466620|3.572305|4.049972|0.079533|2.470541|2.202950|0.055739|2.401983|2.978677|0.088602|3.236599|6.329261|3.991283|2.927974|2.428755|0.061350|2.332549|2.493174|2.327984|3.289485|0.076473|2.282545|0.056368|2.258390|2.041580|2.143122|2.167032|2.786381|1.794647|1.758701|2.671541|2.973682|1.559937|2.576278|2.741048|1.388401|0.500000| |17.568267|8.837962|5.705504|4.216458|3.951770|4.661384|6.966280|3.719995|4.446600|0.086970|2.644617|2.419611|0.060618|2.754538|3.494258|0.104743|4.062260|8.605925|4.839349|3.612024|2.947481|0.072176|2.881929|3.192110|2.904404|4.034360|0.096045|2.726653|0.066311|2.605774|2.311313|2.460166|2.565725|3.040294|1.935895|1.891292|2.893961|3.258981|1.661890|2.734297|2.911169|1.464066|0.302203|0.500000| |17.589622|8.839192|7.165143|4.714972|3.951078|4.171919|5.595044|3.228689|3.871411|0.078606|2.339979|2.144044|0.053845|2.361230|2.899916|0.083094|3.351366|6.603540|4.316843|3.377467|2.771547|0.068566|2.594647|2.825563|2.716048|3.964902|0.095509|2.680596|0.064874|2.688753|2.435482|2.615593|2.614612|2.778690|1.797080|1.791521|2.754985|3.029786|1.595553|2.614750|2.838338|1.437761|0.302539|0.301181|0.500000| |6.977854|8.927540|17.713779|8.936302|5.656725|4.961663|5.664835|3.564768|4.231554|0.090335|2.524541|2.272685|0.056276|2.409316|2.953011|0.080477|3.366355|6.046418|4.665842|3.658873|2.888560|0.073643|2.538923|2.592100|2.513871|3.863908|0.091619|2.793488|0.066987|2.997688|2.662341|2.710827|2.562622|3.042025|1.967262|2.007444|3.160529|3.432340|1.785559|2.882870|3.226552|1.623451|0.160999|0.145571|0.217841|0.500000| |4.082179|5.622644|8.909230|17.728230|8.936705|5.648065|4.962901|4.109518|4.948277|0.112884|2.950603|2.598942|0.063354|2.620571|3.166865|0.082219|3.447753|5.667866|5.080903|3.770411|2.944345|0.078986|2.500817|2.396420|2.290815|3.542225|0.080459|2.761214|0.066975|3.063916|2.639953|2.507355|2.336007|3.611517|2.329680|2.436111|3.951465|4.237826|2.147810|3.401854|3.929984|1.945961|0.102178|0.097346|0.112203|0.215967|0.500000| |3.536334|4.913161|5.646786|8.940031|17.678343|8.847958|5.627175|7.016904|8.077797|0.197465|4.561011|3.662362|0.086016|3.484906|4.345750|0.108459|4.248412|6.438716|6.088076|3.885358|3.011845|0.083342|2.627936|2.422562|2.210100|3.281137|0.072511|2.630198|0.064976|2.757906|2.318470|2.169996|2.106671|5.045284|3.095541|3.158052|5.248497|6.023010|2.642047|4.142435|4.671655|2.233958|0.090804|0.089921|0.089993|0.124443|0.215885|0.500000| |7.049256|8.930798|5.671017|4.960409|5.636192|8.916901|17.699128|7.030018|7.148844|0.128626|3.920774|3.307711|0.080752|3.751209|5.344258|0.172739|5.463669|10.532822|5.882782|3.799445|2.987718|0.075956|2.916156|2.972718|2.572133|3.553156|0.081072|2.585413|0.063600|2.468709|2.123944|2.145380|2.221953|3.942749|2.410210|2.289192|3.526373|4.169391|1.949573|3.197048|3.344263|1.650327|0.178008|0.206202|0.141995|0.124464|0.107670|0.123741|0.500000| |3.801956|4.732360|3.983304|4.193724|5.603063|8.812594|7.207790|17.638762|12.357624|0.181407|6.786808|4.728497|0.113188|4.894917|7.065179|0.231096|5.263427|8.496557|5.749205|3.372146|2.745668|0.073499|2.686881|2.567418|2.208373|3.037122|0.066651|2.317705|0.058436|2.224142|1.906567|1.863243|1.917005|5.178130|3.040829|2.760867|4.190954|5.194176|2.281267|3.754603|3.800319|1.846522|0.102037|0.106552|0.088328|0.090632|0.096471|0.141465|0.219759|0.500000| |3.297673|4.250112|4.011151|4.723562|7.057416|8.888205|5.762879|17.619376|12.449870|0.217312|7.460459|4.756530|0.112325|4.318224|5.557544|0.149746|4.414674|6.752214|5.455408|3.237649|2.636271|0.072572|2.479487|2.309905|2.039003|2.877108|0.062717|2.251443|0.056916|2.230336|1.909896|1.828753|1.840050|5.648273|3.333794|3.091626|4.769850|5.865458|2.536155|4.119582|4.245295|2.042540|0.088502|0.088193|0.079888|0.091253|0.111598|0.207085|0.146937|0.301675|0.500000| |2.583577|3.022076|2.777209|3.026954|3.843148|4.633023|3.852483|7.211870|12.373335|0.182361|17.610961|8.819964|0.219337|6.827118|6.996504|0.193247|4.506350|6.822703|5.268337|3.002349|2.608568|0.073057|2.604898|2.373705|2.032859|2.758748|0.058571|2.170212|0.056274|2.062086|1.771069|1.694838|1.752263|7.697303|4.325543|3.542642|5.058463|6.514610|2.816121|4.714303|4.451418|2.127565|0.069067|0.073297|0.063764|0.066707|0.075041|0.110183|0.111081|0.209914|0.197149|0.500000| |2.449449|2.941368|2.854551|3.290235|4.302761|4.667560|3.617247|6.753227|12.215110|0.229716|17.653571|8.646338|0.195917|5.654178|5.720136|0.138714|4.166623|6.079303|5.404364|3.092438|2.667210|0.076775|2.547570|2.268045|1.983816|2.762982|0.058471|2.229458|0.057757|2.175821|1.855897|1.740134|1.766101|9.900602|5.422732|4.520815|6.600596|8.659933|3.447493|5.603846|5.412196|2.515738|0.064955|0.067731|0.061651|0.068605|0.083657|0.135212|0.097219|0.159557|0.215966|0.299409|0.500000| |2.478208|2.758854|2.502125|2.598943|3.051461|3.582003|3.333735|4.386294|8.158223|0.140606|6.417172|8.787209|0.224611|17.620798|8.803156|0.231126|5.903699|9.062075|6.437335|3.567054|3.304592|0.091927|3.634851|3.196107|2.564339|3.311298|0.068732|2.610841|0.068706|2.327781|1.973651|1.898220|2.040708|7.795937|4.424062|3.593586|5.079609|6.493612|2.857388|4.800711|4.494359|2.146626|0.064275|0.073733|0.062286|0.061603|0.065012|0.083472|0.098884|0.126823|0.106308|0.177757|0.132518|0.500000| |2.481666|2.812165|2.635210|2.789549|3.247291|3.623598|3.298241|4.151430|8.189604|0.161829|5.799197|8.751413|0.190093|17.642406|8.642578|0.178796|7.204684|9.793489|9.016846|4.630903|4.391943|0.127661|4.754930|3.766057|2.974783|3.905072|0.079851|3.240027|0.085140|2.836232|2.326712|2.182949|2.349314|10.207269|5.445141|4.590134|6.837870|9.165736|3.469914|5.599142|5.469088|2.527460|0.063005|0.073048|0.063582|0.065075|0.070605|0.089934|0.092968|0.110255|0.101164|0.138532|0.128335|0.303279|0.500000| |3.012437|3.660251|3.645859|4.081427|4.782049|4.863012|4.167454|4.823690|9.109357|0.238566|5.029445|5.439728|0.116798|6.333447|7.301541|0.146358|9.359861|10.837557|25.973363|9.015449|6.481247|0.191715|5.272271|4.071553|3.383709|4.932600|0.104361|4.417096|0.106966|4.093991|3.081956|2.780400|2.874277|8.165704|4.514025|4.639633|8.703350|11.714821|3.525549|5.316110|6.068728|2.734496|0.073705|0.085582|0.078364|0.087964|0.102875|0.131998|0.106375|0.114025|0.115837|0.113607|0.124932|0.131917|0.197346|0.500000| |3.396233|4.067779|4.371539|4.670639|4.603619|4.276443|4.043988|3.659421|5.580366|0.132753|3.238892|3.272771|0.077112|3.679052|4.313343|0.102248|5.974100|9.195503|12.677155|17.633982|8.793241|0.216195|5.440246|4.574143|4.205492|7.141171|0.160853|6.807427|0.141827|7.120306|4.600348|4.031948|3.978797|4.754086|2.986075|3.201314|5.542330|6.012152|2.720595|4.183501|4.991342|2.376477|0.079966|0.094485|0.093453|0.110564|0.122089|0.118991|0.099022|0.089246|0.090081|0.079187|0.084855|0.087198|0.110470|0.225792|0.500000| |4.137464|4.720219|4.548403|4.323224|4.260331|4.423782|4.662861|3.744406|5.547639|0.121402|3.164367|3.182817|0.075844|3.833634|4.738733|0.117973|7.575172|13.953280|12.659381|17.632130|8.673250|0.173601|6.630384|6.406861|5.358868|8.486826|0.212955|6.526297|0.135432|5.550971|4.033078|3.981534|4.309298|4.311381|2.682440|2.733929|4.473416|5.054173|2.333279|3.694407|4.158529|2.019574|0.093634|0.122431|0.112248|0.114287|0.106330|0.103914|0.118825|0.095694|0.088436|0.080184|0.079997|0.093973|0.113393|0.181157|0.303612|0.500000| |2.687834|2.901406|2.727413|2.727682|2.905719|3.133359|3.129552|3.110586|5.114739|0.106793|3.250675|3.739764|0.091329|5.015756|4.951307|0.120789|6.750257|11.742634|9.763336|6.949553|8.806133|0.209161|17.622116|8.861966|5.535179|6.611830|0.128707|5.487572|0.142125|4.015735|3.171880|3.044090|3.553031|5.028638|3.175620|3.110807|4.797653|5.432612|2.631116|4.239756|4.506054|2.176740|0.065942|0.081417|0.071309|0.069631|0.069641|0.076653|0.087320|0.083252|0.075394|0.082856|0.079319|0.126710|0.175660|0.166654|0.141474|0.171745|0.500000| |2.311315|2.442227|2.365706|2.362446|2.436884|2.528805|2.531277|2.470399|3.904404|0.082989|2.571859|2.916992|0.073602|3.548336|3.446830|0.086591|4.300273|7.607382|6.595388|5.468527|8.870620|0.223708|17.529973|8.871179|6.887433|7.829662|0.135288|6.821527|0.207650|4.505320|3.659135|3.468593|4.248121|4.097585|2.744950|2.791639|4.214127|4.443672|2.479212|4.017037|4.359721|2.156948|0.057221|0.068924|0.063076|0.062186|0.062041|0.065109|0.069702|0.065935|0.061761|0.066008|0.065061|0.091877|0.119037|0.122421|0.123507|0.135886|0.304856|0.500000| |3.395680|3.420450|3.108872|2.884078|2.898762|3.156068|3.453955|2.913341|4.320894|0.088521|2.663150|2.792989|0.069485|3.504529|3.951434|0.106121|5.559645|12.617133|7.289390|6.414793|6.690733|0.137356|8.797406|17.572652|8.837163|9.184004|0.201701|5.620332|0.133274|4.128084|3.410030|3.635331|4.544184|3.655619|2.344273|2.319065|3.565528|3.965056|2.027198|3.304523|3.550872|1.765033|0.080412|0.108123|0.092118|0.081303|0.072616|0.073018|0.097424|0.079635|0.069966|0.070317|0.066293|0.092698|0.105824|0.118183|0.134595|0.219318|0.213785|0.173434|0.500000| |2.620070|2.624229|2.429184|2.310656|2.351298|2.533284|2.689432|2.440591|3.677533|0.074893|2.387021|2.590850|0.066239|3.226534|3.335460|0.089972|4.206705|8.678040|5.585423|4.544187|5.476858|0.124119|8.827260|17.576009|9.009732|7.584896|0.143482|4.855385|0.130712|3.528268|3.064936|3.232409|4.162894|3.411802|2.249386|2.211915|3.296390|3.589064|1.967275|3.252141|3.424270|1.722143|0.064542|0.081714|0.071286|0.064231|0.059424|0.060935|0.076784|0.067448|0.060008|0.063549|0.059648|0.088228|0.100139|0.097809|0.102081|0.134086|0.211986|0.215644|0.304851|0.500000| |2.709944|2.627024|2.507413|2.322012|2.247479|2.335750|2.523658|2.151603|3.103539|0.064514|1.998216|2.086658|0.053331|2.447924|2.627510|0.070959|3.283629|6.607546|4.608018|4.156085|4.837074|0.108019|5.506730|8.778189|17.624819|12.386323|0.226595|5.555336|0.144505|4.152881|3.905700|4.712750|7.249178|2.813519|1.882609|1.903585|2.866068|3.036612|1.730882|2.848571|3.093805|1.580584|0.066011|0.082921|0.077705|0.069038|0.060818|0.057732|0.069958|0.058657|0.053715|0.053083|0.051345|0.065597|0.073485|0.081996|0.100709|0.129583|0.123398|0.140237|0.213949|0.212053|0.500000| |2.315210|2.329595|2.267633|2.176822|2.144364|2.200498|2.293614|2.072200|3.076135|0.064755|2.015323|2.162639|0.055425|2.525474|2.602302|0.068558|3.204783|6.100615|4.694067|4.213168|5.681092|0.130951|6.847242|8.818284|17.611596|12.440538|0.182169|6.874448|0.211894|4.606543|4.286032|4.702572|7.252050|2.982875|2.024335|2.069999|3.100511|3.225851|1.897079|3.114929|3.405473|1.740574|0.057149|0.069337|0.065443|0.061790|0.057739|0.056275|0.063113|0.055932|0.052221|0.052919|0.051938|0.067133|0.078216|0.085876|0.102263|0.119368|0.140521|0.203251|0.173130|0.216373|0.301631|0.500000| |2.396910|2.652370|2.867935|3.008181|2.890034|2.676536|2.577269|2.435146|3.655672|0.083713|2.347387|2.460124|0.060885|2.652101|2.796568|0.069112|3.397198|5.613329|5.947496|5.867169|6.874399|0.206789|4.540835|3.835476|4.105505|7.579331|0.144142|8.955393|0.213840|17.565805|8.800147|5.523966|4.893035|3.699266|2.525157|2.824178|4.597844|4.443384|2.599957|4.021183|5.027831|2.497951|0.058825|0.066650|0.068280|0.078127|0.084891|0.078907|0.065871|0.061597|0.063059|0.058646|0.063202|0.065601|0.081496|0.120726|0.194621|0.135718|0.108300|0.120570|0.100687|0.088883|0.096569|0.110078|0.500000| |2.953532|3.262243|3.598465|3.622205|3.299676|3.041460|3.028969|2.636301|3.818383|0.086483|2.370225|2.403839|0.059157|2.636918|2.929068|0.073639|3.701688|6.343244|6.330662|6.938034|6.646782|0.163193|4.479378|4.167908|4.552261|9.327599|0.206582|8.810406|0.173796|17.542227|8.899349|6.908444|5.756642|3.480348|2.314022|2.504240|4.072029|4.139012|2.262939|3.549488|4.264215|2.124794|0.070540|0.081464|0.086236|0.100097|0.101153|0.086311|0.076056|0.066734|0.067179|0.059880|0.063344|0.065641|0.078844|0.119623|0.245178|0.180001|0.106948|0.110599|0.116389|0.093757|0.110635|0.112642|0.303629|0.500000| |2.061734|2.164325|2.293012|2.300581|2.177361|2.069048|2.064210|1.900313|2.773985|0.061114|1.828076|1.911196|0.048660|2.066449|2.149337|0.055138|2.538314|4.434586|4.040313|3.730129|4.482976|0.122543|3.645658|3.442992|4.190893|7.726178|0.134683|6.743248|0.204552|8.823426|17.534632|8.837946|6.814043|2.787966|1.945618|2.115654|3.241455|3.160116|2.014719|3.231351|3.847760|2.005934|0.051329|0.057851|0.059946|0.064520|0.064859|0.058809|0.054034|0.049459|0.049531|0.046951|0.049155|0.053023|0.062679|0.079749|0.109701|0.097482|0.085371|0.103077|0.087746|0.082973|0.102715|0.120729|0.213297|0.173951|0.500000| |2.234049|2.369074|2.598582|2.615942|2.395724|2.214725|2.205419|1.985902|2.840164|0.063121|1.849469|1.888189|0.047778|2.014424|2.146595|0.055147|2.529096|4.394809|4.037456|3.743357|4.017958|0.108472|3.179516|3.049541|3.547088|6.608319|0.129775|5.481688|0.141470|8.857046|17.592943|8.839209|5.523290|2.750904|1.904333|2.078639|3.232047|3.159101|1.969788|3.140957|3.788558|1.969429|0.055402|0.061323|0.066010|0.074704|0.075577|0.064498|0.056647|0.051175|0.052035|0.047415|0.050231|0.051363|0.059946|0.079901|0.117402|0.099602|0.077052|0.085686|0.081795|0.073249|0.090327|0.095839|0.211489|0.216789|0.303707|0.500000| |2.187353|2.202925|2.319578|2.225864|2.048529|1.968044|2.032685|1.775681|2.509939|0.054210|1.642931|1.680079|0.043032|1.829396|1.948485|0.051319|2.300388|4.184130|3.485274|3.179950|3.501743|0.089138|3.069040|3.232374|4.159033|7.560086|0.143775|4.841254|0.130626|5.519946|8.784217|17.580266|8.995418|2.377420|1.641928|1.739868|2.638151|2.643818|1.644811|2.678951|3.079579|1.615126|0.054406|0.061395|0.065575|0.067406|0.062376|0.054095|0.053516|0.046874|0.046110|0.042940|0.044034|0.047740|0.054192|0.066841|0.091410|0.090374|0.073181|0.083550|0.085814|0.079128|0.113571|0.113734|0.123176|0.140659|0.214128|0.209235|0.500000| |2.712665|2.744326|2.934408|2.757507|2.471091|2.355939|2.464603|2.066332|2.890631|0.062753|1.847176|1.862389|0.047111|2.043501|2.240154|0.058882|2.716455|4.974565|4.153680|3.968395|4.090995|0.099828|3.420420|3.650239|4.567058|9.211576|0.203910|5.623190|0.133567|6.828805|8.817821|17.520213|8.863668|2.618595|1.775563|1.875576|2.899126|2.953283|1.740139|2.810923|3.243050|1.673205|0.065849|0.075527|0.082925|0.086479|0.076878|0.064009|0.063862|0.054142|0.053108|0.048106|0.049347|0.052833|0.060088|0.077957|0.116618|0.117328|0.081684|0.088430|0.101470|0.086105|0.124550|0.114303|0.139825|0.202893|0.173256|0.214777|0.304005|0.500000| |2.505404|2.446679|2.455924|2.285436|2.138317|2.133971|2.270861|1.930042|2.737695|0.058041|1.772477|1.823323|0.046645|2.053581|2.207345|0.058937|2.683256|5.116497|3.934984|3.639442|4.107272|0.096937|3.920860|4.719449|7.288121|12.379153|0.225913|5.564666|0.145271|4.912987|5.503021|8.775680|17.626314|2.517527|1.710399|1.770019|2.677353|2.762112|1.640251|2.686968|2.998050|1.551504|0.061408|0.073154|0.074620|0.070088|0.061720|0.055376|0.061111|0.051764|0.049127|0.046751|0.046571|0.054241|0.061041|0.072521|0.096656|0.109724|0.090407|0.104030|0.123759|0.113732|0.228783|0.182881|0.107860|0.129146|0.139281|0.123255|0.212543|0.214344|0.500000| |2.186486|2.204955|2.234874|2.152487|2.053718|2.032868|2.101924|1.874605|2.722186|0.058313|1.786163|1.874722|0.048050|2.099405|2.193802|0.057560|2.641791|4.870688|3.994744|3.686871|4.595074|0.112727|4.320001|4.706530|7.219921|12.423980|0.182148|6.920958|0.214673|5.767406|6.836111|8.815406|17.613383|2.639583|1.816502|1.904235|2.870948|2.907013|1.782246|2.910484|3.285208|1.705041|0.054144|0.063364|0.063664|0.062708|0.058690|0.054217|0.056440|0.049910|0.048046|0.046673|0.047071|0.055094|0.063685|0.075308|0.098403|0.103523|0.096418|0.122955|0.113842|0.113797|0.180488|0.226385|0.128642|0.133331|0.200609|0.139797|0.215479|0.173324|0.301581|0.500000| |1.768749|1.995115|1.969471|2.170312|2.507449|2.573677|2.254584|2.995301|5.177857|0.109042|4.760173|6.572850|0.204717|4.708283|3.636424|0.088266|3.093302|4.692662|4.341859|2.652818|2.582737|0.079099|2.552727|2.168128|1.915175|2.615270|0.052992|2.173871|0.059243|2.074924|1.795109|1.647604|1.693900|12.188740|17.823251|8.562911|7.986989|8.088969|6.431056|11.822233|8.041922|3.620893|0.046542|0.049952|0.046214|0.049814|0.057854|0.075244|0.061768|0.078041|0.083887|0.113983|0.133848|0.117369|0.132223|0.102342|0.071671|0.066123|0.079487|0.069617|0.059784|0.058338|0.048665|0.052214|0.062005|0.057237|0.049340|0.048060|0.042147|0.045184|0.044069|0.046690|0.500000| 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