Version2.0 2020-01-09T01:13:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Sep-2019 #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)N1CCN(CC1)Cc2ccccc2)[NH+]3CCN(CC3)c4ccc(c5c4ccnc5)[N+](=O)[O-] C24528307 RHF 6-31G(d) (6D,7F) C[C@@H](C(=O)N1CCN(CC1)Cc2ccccc2)[NH+]3CCN(CC3)c4ccc(c5c4ccnc5)[N+](=O)[O-] C01[X(C27H33N6O3)] 201 C1 606 O=C([C@@H]([NH+]1CCN(CC1)c1ccc(c2c1ccnc2)[N+](=O)[O-])C)N1CCN(CC1)Cc1ccccc1 O=C([C@@H]([NH+]1CCN(CC1)c1ccc(c2c1ccnc2)[N+](=O)[O-])C)N1CCN(CC1)Cc1ccccc1 C[C@H]([NH+]1CCN(CC1)c2ccc(c3cnccc23)[N+]([O-])=O)C(=O)N4CCN(CC4)Cc5ccccc5 InChIKey=FMIGKOCEMCLWSC-NRFANRHFSA-O InChI=1S/C27H32N6O3/c1-21(27(34)32-13-11-29(12-14-32)20-22-5-3-2-4-6-22)30-15-17-31(18-16-30)25-7-8-26(33(35)36)24-19-28-10-9-23(24)25/h2-10,19,21H,11-18,20H2,1H3/p+1/t21-/m0/s1 InChI=1/C27H32N6O3/c1-21(27(34)32-13-11-29(12-14-32)20-22-5-3-2-4-6-22)30-15-17-31(18-16-30)25-7-8-26(33(35)36)24-19-28-10-9-23(24)25/h2-10,19,21H,11-18,20H2,1H3/p+1/t21-/m0/s1/fC27H33N6O3/h30H/q+1 C[C@@H](C(=O)N1CCN(CC1)Cc2ccccc2)[NH+]3CCN(CC3)c4ccc(c5c4ccnc5)[N+](=O)[O-] C01[X(C27H33N6O3)] 201 C01 606 O=C([C@@H]([NH+]1CCN(CC1)c1ccc(c2c1ccnc2)[N+](=O)[O-])C)N1CCN(CC1)Cc1ccccc1 O=C([C@@H]([NH]1CCN(CC1)[C@@H]1CC=C(c2c1ccnc2)N(O)O)C)N1CCN(CC1)Cc1ccccc1 C[C@H]([NH]1CCN(CC1)[C@@H]2CC=C(N(O)O)c3cnccc23)C(=O)N4CCN(CC4)Cc5ccccc5 InChIKey=CWWFISARNDQIFJ-SQJMNOBHSA-N InChI=1S/C27H37N6O3/c1-21(27(34)32-13-11-29(12-14-32)20-22-5-3-2-4-6-22)30-15-17-31(18-16-30)25-7-8-26(33(35)36)24-19-28-10-9-23(24)25/h2-6,8-10,19,21,25,30,35-36H,7,11-18,20H2,1H3/t21-,25+/m0/s1 InChI=1/C27H37N6O3/c1-21(27(34)32-13-11-29(12-14-32)20-22-5-3-2-4-6-22)30-15-17-31(18-16-30)25-7-8-26(33(35)36)24-19-28-10-9-23(24)25/h2-6,8-10,19,21,25,30,35-36H,7,11-18,20H2,1H3/t21-,25+/m0/s1 3645.8907373380 -1592.6133747 1-A 34289.4224 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3 4 5 6 7 8 9 10 11 12 13 14 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 6 6 1 6 8 7 6 6 7 6 6 6 6 6 6 6 6 6 7 1 6 6 7 6 6 6 6 6 6 6 6 6 6 7 6 7 8 8 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 1.00783 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 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 15.99491 15.99491 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 6926.9425 58702.5443 62084.3227 0.99999 -0.00335 -0.00129 0.00337 0.99987 0.01605 0.00123 -0.01605 0.99987 1 0.01250 0.00148 0.00140 0.26054 0.03074 0.02907 12.68 17.41 30.46 48.55 52.68 62.70 68.24 91.71 98.60 116.75 121.87 152.69 173.78 199.06 234.21 239.90 272.23 284.83 319.63 330.95 346.96 363.24 393.85 404.11 423.49 433.78 487.91 492.90 509.09 523.30 529.55 576.99 605.37 623.07 650.95 657.29 665.11 683.36 687.33 696.78 735.73 747.49 753.87 771.77 774.80 811.48 866.26 890.35 906.47 938.11 958.33 978.84 1019.19 1031.05 1050.04 1068.79 1118.44 1139.23 1150.69 1192.27 1197.64 1230.60 1234.55 1267.29 1283.06 1287.30 1298.56 1315.25 1328.58 1340.46 1349.30 1379.92 1383.40 1412.24 1424.66 1449.94 1485.08 1491.32 1513.72 1538.18 1551.87 1566.12 1570.73 1576.93 1585.04 1588.96 1590.21 1612.96 1622.52 1625.56 1631.39 1638.73 1648.90 1650.61 1664.19 1691.10 1696.42 1700.15 1701.72 1725.81 1753.04 1775.93 1785.96 1797.18 1823.23 1829.86 1855.53 1860.18 1872.55 1887.68 1906.05 1916.76 1926.65 1931.39 1932.61 1943.07 1961.24 1981.52 2005.72 2021.11 2036.94 2048.37 2068.13 2073.24 2096.21 2109.15 2124.64 2142.20 2150.89 2153.45 2169.36 2176.34 2203.53 2204.82 2215.02 2228.33 2239.07 2250.32 2259.89 2267.73 2286.64 2290.58 2292.50 2318.54 2323.34 2333.66 2340.90 2351.65 2355.79 2364.50 2365.56 2368.75 2372.43 2376.78 2377.63 2385.30 2386.84 2392.91 2405.06 2405.52 2407.74 2570.77 2574.12 2591.96 2607.22 2633.51 2690.54 2704.09 4475.19 4499.30 4531.61 4533.52 4552.82 4655.81 4662.89 4667.72 4670.84 4712.98 4721.78 4729.32 4747.42 4753.44 4757.02 4761.10 4771.13 4784.30 4803.99 4823.53 4828.83 4836.64 4839.26 4842.79 4852.77 4865.67 4877.89 4879.04 4881.62 4929.80 4941.85 4969.91 5163.05 0.631180 0.660230 0.661174 0.566350 -1591.982194 -1591.953145 -1591.952200 -1592.047025 3.180446D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2020 DUDE C[C@@H](C(=O)N1CCN(CC1)Cc2ccccc2)[NH+]3CCN(CC3)c4ccc(c5c4ccnc5)[N+](=O)[O-] C24528307 RHF 6-31G(d) (6D,10F) C1 489.261414 |X|Y|Z| 54.609021 34.465904 173.549275 68.869293 31 6 7 26 5 |36.858105| |12.441943|36.858105| |8.815091|17.670449|0.500000| |7.604210|12.331926|0.239959|36.858105| |5.959809|8.139552|0.166743|15.702190|73.516695| |5.941594|7.664203|0.193231|14.355301|15.047710|53.358707| |4.265465|4.956029|0.126388|7.885839|12.296099|17.636815|36.858105| |3.370347|3.929332|0.107846|5.362347|8.527668|10.567248|12.523816|36.858105| |3.304066|3.726234|0.107193|4.623676|6.968084|9.148442|7.812859|13.150846|53.358707| |3.879794|4.520629|0.138901|5.282482|7.371687|10.586211|6.672068|8.002118|17.934791|36.858105| |5.527213|6.391683|0.190503|7.620938|9.356840|17.710321|7.773431|6.673380|10.649827|12.509241|36.858105| |2.661003|2.960669|0.086188|3.473622|5.482892|6.112696|5.073641|7.870438|17.778800|7.858171|5.071589|36.858105| |2.460774|2.644356|0.077893|2.949630|4.639138|5.008418|3.895657|5.059779|10.459440|6.327823|4.413817|12.577573|36.858105| |2.433943|2.522852|0.073141|2.794969|4.413023|4.713922|3.689731|4.419153|8.575921|5.277240|4.167574|7.552963|13.677678|36.858105| |2.191827|2.230748|0.064936|2.394379|3.812218|3.888745|2.950791|3.358114|5.974908|4.056018|3.410608|5.017230|7.903939|13.781404|36.858105| |2.022186|2.078603|0.061299|2.189670|3.498858|3.482193|2.587448|2.953979|5.117041|3.648650|3.034734|4.426887|6.830478|7.930726|13.717270|36.858105| |2.036620|2.143639|0.063975|2.260034|3.605653|3.593339|2.653491|3.121199|5.440465|3.944369|3.124261|5.007536|7.897512|6.882779|7.951705|13.780494|36.858105| |2.228412|2.401254|0.071851|2.590436|4.105228|4.219556|3.156834|3.923908|7.203208|5.050032|3.680621|7.547252|13.739914|7.962107|6.890901|7.936789|13.717610|36.858105| |7.509995|12.628489|0.253835|7.893251|13.365025|7.137022|3.968209|3.292860|4.132888|3.503303|4.361532|2.528800|2.257990|2.140356|1.916899|1.811330|1.879680|2.090727|53.358707| |6.705499|9.517757|0.186069|8.238780|17.352270|7.133077|4.170874|3.353043|4.071448|3.319068|4.100148|2.485193|2.195754|2.093595|1.866181|1.750279|1.807412|2.013335|25.533991|0.500000| |4.955738|7.673381|0.208750|6.281918|10.867909|6.410797|3.726720|3.304716|4.120796|3.502228|4.020730|2.586715|2.281315|2.108737|1.885152|1.807364|1.910967|2.146929|17.245757|0.260020|36.858105| |3.796636|4.975550|0.132214|4.429880|8.391543|4.799179|3.017188|2.731855|3.390055|2.766372|3.061756|2.196479|1.955989|1.819411|1.645944|1.587904|1.674960|1.860215|10.423240|0.198125|12.537899|36.858105| |3.687140|4.438160|0.118892|3.710112|6.834253|4.108388|2.585500|2.339167|2.977625|2.436947|2.721099|1.945254|1.771836|1.669872|1.532018|1.483151|1.552152|1.697163|9.050758|0.165494|7.840315|13.121805|53.358707| |4.369314|4.923599|0.123928|3.943784|7.319898|4.253906|2.651695|2.328080|2.969477|2.423372|2.797555|1.913840|1.753772|1.677825|1.541688|1.478762|1.529041|1.662663|10.475599|0.197301|6.667326|7.965127|17.932803|36.858105| |6.540328|7.456424|0.179264|5.045343|8.718471|5.224773|3.076990|2.637068|3.407246|2.858914|3.456966|2.145574|1.969537|1.890992|1.728967|1.647317|1.697481|1.851381|17.305251|0.255643|7.743976|6.640812|10.671766|12.513714|36.858105| |2.903297|3.332064|0.090293|2.935495|5.464150|3.381593|2.201825|2.031072|2.592115|2.083965|2.269899|1.726796|1.583543|1.494748|1.382088|1.345950|1.408750|1.529533|6.071645|0.118031|5.118810|7.872626|18.138761|7.786229|5.091900|36.858105| |2.638516|2.932917|0.077640|2.668468|5.093295|3.091996|2.058458|1.889436|2.393800|1.890446|2.058360|1.599704|1.467917|1.395680|1.292766|1.254355|1.305180|1.412118|5.193579|0.106683|4.095114|5.837155|10.619351|6.483756|4.301972|14.025446|36.858105| |2.209277|2.414326|0.064781|2.237315|4.235779|2.660534|1.800901|1.678131|2.138276|1.674039|1.794559|1.448416|1.337598|1.273129|1.186581|1.156914|1.203908|1.295245|4.057555|0.083245|3.201760|4.229383|6.939525|4.422732|3.283725|7.903869|13.493473|36.858105| |2.045205|2.242947|0.061443|2.072901|3.854828|2.503441|1.693892|1.601648|2.059726|1.618787|1.713693|1.408360|1.307276|1.239192|1.159775|1.138682|1.190096|1.276980|3.685321|0.073973|2.980196|3.829059|6.159824|3.775025|2.953745|6.851717|7.968523|14.085689|36.858105| |2.152519|2.398491|0.067029|2.183073|3.989828|2.643127|1.766551|1.682622|2.179914|1.734283|1.827146|1.492304|1.386884|1.306358|1.222647|1.206197|1.267910|1.362660|3.942703|0.076978|3.302620|4.243062|6.924984|3.948989|3.155765|7.750947|6.780848|7.837473|13.366277|36.858105| |2.543570|2.903674|0.081539|2.576800|4.680524|3.063062|2.006614|1.894475|2.450741|1.976744|2.106541|1.657994|1.532539|1.438843|1.338951|1.316928|1.386707|1.499406|4.958489|0.094379|4.307587|5.866878|10.577063|5.223915|4.028344|13.301074|7.888657|6.811999|7.864185|13.534994|36.858105| |2.604214|3.016016|0.087960|2.634320|4.644590|3.177240|2.054741|1.965873|2.579768|2.115561|2.231262|1.752639|1.627752|1.516887|1.414054|1.400864|1.485767|1.607321|4.991152|0.091541|4.501087|5.526124|9.059385|4.628571|3.967976|7.627771|5.116489|4.521820|5.134429|7.882665|13.444421|36.858105| |2.239759|2.544707|0.074843|2.270153|3.979639|2.809664|1.844020|1.794513|2.378366|1.938681|2.005115|1.642318|1.539392|1.432093|1.345181|1.344497|1.431160|1.537936|4.013574|0.074717|3.516802|4.050606|6.149772|3.491164|3.126857|5.123832|3.963922|3.815421|4.581842|6.970894|7.965900|14.055041|36.858105| |1.965904|2.194132|0.063484|1.996732|3.544844|2.487396|1.660440|1.619627|2.139209|1.717446|1.768439|1.488298|1.398525|1.306893|1.232327|1.232277|1.307369|1.398042|3.430679|0.065417|2.921057|3.400598|5.120989|3.026899|2.670473|4.510453|3.788667|3.945431|5.125536|7.942955|6.823234|8.001672|14.132124|53.358707| |1.937815|2.148300|0.061012|1.968117|3.548870|2.429852|1.632585|1.578283|2.065272|1.643185|1.705786|1.430695|1.339146|1.257812|1.183830|1.176887|1.241928|1.328746|3.412039|0.066153|2.862152|3.457541|5.322530|3.157273|2.682119|5.088362|4.495668|5.061100|7.511799|13.315570|7.864845|7.005215|8.381725|20.090061|36.858105| |1.771280|1.914176|0.052528|1.792954|3.327237|2.198679|1.506459|1.435210|1.852488|1.443642|1.515624|1.278069|1.192905|1.134170|1.066914|1.050184|1.095655|1.169369|3.054718|0.061732|2.430362|2.975090|4.573007|2.952591|2.417751|4.492324|5.144159|7.973899|13.022437|7.547261|5.035698|3.856496|3.734874|6.008523|6.297523|53.358707| |1.671230|1.793924|0.049683|1.671807|3.067496|2.068096|1.415017|1.355584|1.764608|1.378814|1.441486|1.223310|1.149434|1.093660|1.033824|1.021789|1.066236|1.132690|2.819529|0.056402|2.235439|2.660975|4.093032|2.668489|2.240615|3.863233|4.140323|5.617667|8.368494|6.681727|4.522802|3.698173|3.776661|6.383536|6.692044|21.748942|73.516695| |1.687932|1.817349|0.049467|1.727042|3.236031|2.122363|1.469218|1.398782|1.795397|1.386930|1.454304|1.240318|1.154998|1.100254|1.033985|1.015294|1.057214|1.128836|2.884313|0.059154|2.274332|2.766950|4.131119|2.728953|2.251999|3.908722|4.672019|7.096842|8.400939|5.418918|4.090358|3.230692|3.101715|4.818718|4.648706|21.767350|15.999795|73.516695| |17.576929|8.772085|0.172870|6.924041|11.070773|7.204846|4.117038|3.185095|4.127589|3.389835|4.607564|2.467466|2.269990|2.264415|2.042374|1.875526|1.877884|2.047817|9.350805|0.195009|4.510107|3.669732|4.883189|4.413885|6.224974|2.869433|2.682079|2.240854|2.042234|2.110587|2.467561|2.461593|2.117029|2.564894|1.882979|2.414700|2.956957|3.030395|0.500000| |17.610489|8.894338|0.209625|7.051579|9.453995|8.821931|4.613499|3.621564|5.003721|4.361882|6.656924|2.899440|2.715120|2.734152|2.451319|2.227592|2.216553|2.421357|7.511279|0.142134|4.128800|3.224273|4.205851|3.509807|4.802465|2.514283|2.303502|1.969020|1.841723|1.937667|2.253588|2.327534|2.043339|2.457756|1.770046|2.199032|2.725613|2.746962|0.302951|0.500000| |17.616134|8.729684|0.213439|5.493365|8.159680|6.232610|3.471248|2.889252|3.936174|3.410012|4.553974|2.402338|2.267846|2.245692|2.061425|1.927475|1.940725|2.093782|9.020793|0.156186|4.604454|3.653782|5.099944|4.523868|6.993513|2.961351|2.666836|2.238278|2.084969|2.208321|2.617028|2.700991|2.322219|2.761349|1.992301|2.455105|3.046276|3.031624|0.299216|0.303507|0.500000| |4.128120|4.386196|0.111326|6.294457|10.044603|12.456975|17.568364|8.884313|9.554337|5.808739|6.960277|4.739983|3.848646|3.868095|3.093766|2.640532|2.632871|3.066649|4.778766|0.102561|3.201298|2.657261|3.190683|2.446513|2.838417|2.017758|1.905415|1.678904|1.577802|1.635305|1.841742|1.877817|1.695604|2.092085|1.515022|1.923536|2.367551|2.455813|0.113141|0.129223|0.093756|0.500000| |4.028336|4.739890|0.116656|7.694369|14.703662|12.463537|17.698587|8.827959|7.679959|5.001691|5.666504|4.173445|3.272833|3.098489|2.551078|2.275190|2.339701|2.743546|5.546226|0.124770|3.848187|3.197253|3.665580|2.761109|3.127794|2.301315|2.175881|1.896683|1.767392|1.826901|2.071473|2.089185|1.863834|2.296966|1.674276|2.135549|2.600839|2.736359|0.112555|0.115056|0.091529|0.300903|0.500000| |2.917912|3.282739|0.089023|4.313927|7.283061|7.681665|8.964104|17.589514|12.502378|5.743672|4.981210|7.305329|4.815340|4.340511|3.302420|2.875187|2.998682|3.717302|3.874473|0.081660|2.847476|2.438090|2.872583|2.105482|2.339664|1.863204|1.755637|1.574686|1.502275|1.565449|1.741751|1.792003|1.648167|2.046635|1.472348|1.847631|2.279746|2.365968|0.078421|0.086678|0.070448|0.218532|0.211766|0.500000| |3.227157|3.927991|0.109582|5.270204|8.607952|9.374052|8.861440|17.407690|12.244627|7.112018|5.798086|6.909664|4.530100|3.799868|2.998594|2.738776|2.974168|3.756810|4.652866|0.096211|3.607416|2.979536|3.387902|2.420041|2.703117|2.162157|1.996534|1.771451|1.697232|1.793453|2.026351|2.112470|1.926970|2.358831|1.683904|2.062042|2.537788|2.621755|0.084346|0.093174|0.077831|0.173883|0.216472|0.301342|0.500000| |3.534467|3.913048|0.122279|4.242078|6.095280|7.691333|4.975212|5.742277|12.508337|17.619851|8.952295|7.288440|7.306643|6.123368|4.795893|4.360614|4.731585|6.007151|4.206705|0.080583|3.075086|2.482744|3.048476|2.231842|2.622614|1.936436|1.757847|1.569542|1.527804|1.640337|1.857406|2.001025|1.855271|2.241982|1.567784|1.865452|2.342394|2.335755|0.085507|0.111804|0.089230|0.129927|0.109532|0.128124|0.144405|0.500000| |3.702482|4.572475|0.145850|5.211745|7.398122|9.435757|5.825745|7.137786|12.264990|17.389201|8.866477|6.888266|5.417190|4.329908|3.489343|3.294876|3.701077|4.766238|5.008375|0.095372|3.895265|3.033383|3.565077|2.538194|2.964133|2.233105|2.000546|1.768481|1.720598|1.861889|2.136441|2.315796|2.121943|2.535925|1.769493|2.078204|2.590934|2.598225|0.089699|0.110078|0.091848|0.133671|0.131296|0.144607|0.211719|0.301015|0.500000| |6.368000|7.512774|0.259727|7.164324|8.752455|12.308265|5.627809|4.988556|7.710858|8.901558|17.652781|4.186634|3.835843|3.617049|3.106532|2.853786|2.956175|3.390293|6.585644|0.119434|4.413294|3.265807|4.018786|3.040207|3.885894|2.426133|2.165450|1.876700|1.799600|1.938461|2.260253|2.428872|2.169967|2.572444|1.810114|2.152891|2.683374|2.677187|0.136145|0.210577|0.150841|0.141996|0.126902|0.109399|0.130238|0.215107|0.217211|0.500000| |5.306010|5.339054|0.150761|6.134176|8.157564|12.451652|6.954576|5.820417|9.594148|8.892816|17.566951|4.749374|4.388349|4.477848|3.681422|3.159978|3.127340|3.578226|5.149483|0.100941|3.388252|2.686583|3.330504|2.562766|3.141019|2.070856|1.903754|1.672312|1.593637|1.684642|1.921055|2.016149|1.824631|2.212662|1.575439|1.933315|2.407536|2.431305|0.126736|0.193084|0.122459|0.205149|0.142511|0.130410|0.133415|0.218161|0.174001|0.301952|0.500000| |2.445426|2.688286|0.076501|3.192270|5.209666|5.472016|4.854156|7.506936|12.606408|5.722421|4.242036|17.567222|8.937518|6.718408|4.619567|4.007080|4.355421|5.988891|3.187008|0.064947|2.384214|2.063999|2.489999|1.805029|1.998369|1.638299|1.533233|1.394875|1.352497|1.422168|1.568478|1.641348|1.540470|1.916365|1.361927|1.678764|2.094946|2.139420|0.064240|0.073461|0.061265|0.129539|0.115067|0.235086|0.179402|0.146053|0.143422|0.098142|0.113810|0.500000| |2.554795|2.911583|0.085992|3.366463|5.360624|5.708697|4.549290|6.879164|12.258818|7.086025|4.607867|17.442659|8.886525|5.580794|4.183605|3.981790|4.781497|7.334485|3.457156|0.068871|2.677251|2.280738|2.723915|1.936683|2.151070|1.782547|1.641305|1.489128|1.456533|1.552886|1.726109|1.838306|1.730856|2.129779|1.496157|1.797374|2.248187|2.273960|0.065571|0.075713|0.064654|0.113016|0.108540|0.172587|0.198859|0.180343|0.205253|0.110621|0.114452|0.303068|0.500000| |2.563373|2.625433|0.074642|2.973027|4.711969|5.091643|4.143696|4.842837|9.161483|5.247667|4.403199|7.027505|8.912926|17.715545|8.927701|5.642382|4.956932|5.658399|3.009005|0.060712|2.144978|1.849085|2.306648|1.718595|1.942689|1.512339|1.419501|1.290836|1.248576|1.309119|1.443095|1.509300|1.415799|1.761297|1.252639|1.553797|1.950531|1.974127|0.066960|0.080823|0.064818|0.126555|0.095228|0.135699|0.110087|0.157511|0.116213|0.102726|0.137261|0.188674|0.140664|0.500000| |2.121312|2.117256|0.060985|2.260665|3.625504|3.624245|2.754547|3.026083|5.162083|3.523288|3.129816|4.093728|5.632195|8.933818|17.715939|8.905017|5.652039|4.961191|2.483269|0.049552|1.773707|1.558523|1.989234|1.482300|1.660655|1.321841|1.242783|1.142524|1.114178|1.169487|1.277012|1.341616|1.275505|1.596198|1.130624|1.398530|1.770814|1.773057|0.055374|0.066168|0.055600|0.081892|0.066778|0.083574|0.074718|0.112455|0.084392|0.079687|0.096131|0.108515|0.096156|0.215535|0.500000| |1.867623|1.899745|0.055888|1.975786|3.179786|3.084666|2.276221|2.538622|4.241963|3.072456|2.652315|3.542105|4.930200|5.643120|8.898626|17.721338|8.918786|5.642631|2.274106|0.044835|1.662908|1.473948|1.889979|1.386955|1.537976|1.267266|1.184053|1.096774|1.081707|1.144434|1.243819|1.322036|1.274708|1.596368|1.120127|1.363153|1.737465|1.721264|0.048311|0.056885|0.049927|0.064734|0.056336|0.068929|0.065954|0.100017|0.078260|0.070455|0.076976|0.091145|0.090622|0.124111|0.214645|0.500000| |1.888043|1.990374|0.059624|2.069990|3.325821|3.225059|2.357481|2.732989|4.577476|3.397933|2.760623|4.087735|5.632446|4.957223|5.648260|8.920235|17.718956|8.912720|2.408246|0.047112|1.813492|1.603912|2.033094|1.463149|1.612677|1.364740|1.263130|1.170912|1.163719|1.243074|1.353902|1.456631|1.414758|1.763078|1.225594|1.462932|1.866113|1.841154|0.048405|0.056464|0.050464|0.064472|0.058638|0.072941|0.073904|0.110662|0.091618|0.074097|0.075893|0.100858|0.113869|0.107594|0.124147|0.214786|0.500000| |2.179288|2.393797|0.072166|2.574073|4.103143|4.130351|3.065361|3.852921|6.722691|4.856127|3.519100|6.993802|8.915325|5.650564|4.959740|5.650719|8.924010|17.697125|2.877510|0.056368|2.215706|1.925670|2.375182|1.688560|1.866654|1.577170|1.449711|1.331908|1.319218|1.414560|1.556543|1.678538|1.613602|1.993183|1.385367|1.643239|2.079722|2.069018|0.055574|0.064765|0.057045|0.080598|0.075177|0.100435|0.107478|0.152637|0.137561|0.091483|0.091860|0.155241|0.226110|0.124214|0.107637|0.124222|0.215796|0.500000| |4.744014|7.022096|0.226885|5.370522|8.622602|5.943487|3.421787|3.137694|4.069117|3.572743|4.026219|2.587588|2.320920|2.133159|1.922623|1.863245|1.982914|2.218314|12.402313|0.182127|17.626727|8.848409|9.610044|5.853137|7.055795|4.831544|3.752124|3.019565|2.903141|3.322958|4.380603|4.974883|3.888365|4.237079|2.955901|3.239727|3.958993|3.906071|0.114569|0.112367|0.128756|0.082741|0.094690|0.074847|0.094807|0.089076|0.112399|0.128495|0.093677|0.065312|0.074990|0.059518|0.050040|0.047702|0.052590|0.063930|0.500000| |4.612086|7.229710|0.195848|7.270182|12.761205|7.496265|4.387536|3.917527|4.709361|3.963727|4.446937|2.919907|2.501129|2.278619|2.004857|1.913225|2.037497|2.329140|12.352887|0.227594|17.660861|8.845100|7.693298|4.991441|5.637237|4.190126|3.535627|2.868339|2.686755|2.935552|3.659109|3.815705|3.130976|3.618336|2.599749|3.049525|3.667348|3.778446|0.117695|0.111940|0.113976|0.100300|0.127863|0.092001|0.123256|0.093441|0.125662|0.129858|0.101160|0.074689|0.084757|0.064527|0.052011|0.048471|0.053376|0.067165|0.299192|0.500000| |3.230903|4.145833|0.115395|3.830474|7.113239|4.370777|2.809915|2.634846|3.286295|2.670755|2.851552|2.171808|1.933113|1.779484|1.613379|1.570339|1.671515|1.859751|7.610179|0.144979|8.992531|17.620171|12.453168|5.724911|4.969402|7.370770|5.396564|4.192842|3.998778|4.628771|6.418123|6.342511|4.651094|5.233357|3.846623|4.226845|4.950644|5.094200|0.085863|0.078747|0.086967|0.068572|0.082186|0.065659|0.081212|0.066977|0.082816|0.084020|0.069343|0.056684|0.063588|0.049815|0.042236|0.040507|0.044744|0.054064|0.216609|0.213027|0.500000| |3.618062|4.603332|0.116552|4.421219|9.047505|4.746663|3.084383|2.752698|3.335903|2.650295|2.935416|2.157703|1.905657|1.781652|1.605700|1.538866|1.615396|1.796251|9.298394|0.207433|8.848278|17.448895|12.236125|7.077028|5.760868|6.761296|5.916553|4.286039|3.710316|3.865379|4.934632|4.397259|3.419993|4.097940|3.141613|3.990514|4.583374|4.983431|0.101061|0.085990|0.094357|0.075500|0.093680|0.069125|0.083227|0.065600|0.079587|0.084562|0.072410|0.057074|0.061851|0.050712|0.042384|0.039664|0.042819|0.051447|0.173397|0.216109|0.302289|0.500000| |3.874362|4.086517|0.105905|3.307299|6.028757|3.701402|2.338178|2.077162|2.686960|2.186312|2.500827|1.750623|1.625281|1.564745|1.452061|1.398299|1.440208|1.550877|7.631302|0.144327|4.974273|5.724242|12.493300|17.617410|8.980623|7.263260|6.385915|4.548125|3.900819|4.035000|5.171787|4.514764|3.473808|4.162314|3.221178|4.173174|4.982595|4.974430|0.108840|0.088397|0.116136|0.060848|0.066960|0.052634|0.059515|0.056791|0.063148|0.075687|0.064649|0.045943|0.049101|0.044405|0.038954|0.036655|0.038447|0.043650|0.130858|0.109391|0.127774|0.143911|0.500000| |4.167009|4.592455|0.111049|3.938485|7.734012|4.211867|2.689696|2.329903|2.922794|2.337229|2.699469|1.880104|1.712047|1.645345|1.506847|1.436692|1.479555|1.611066|9.428882|0.208850|5.814515|7.077098|12.197954|17.442282|8.899821|6.644332|6.565767|4.465086|3.635994|3.608111|4.488310|3.866643|3.037331|3.702601|2.888025|3.939671|4.576088|4.885611|0.123629|0.093934|0.114986|0.069232|0.079465|0.059108|0.067008|0.059394|0.067366|0.079485|0.069370|0.049752|0.052581|0.047160|0.040378|0.037411|0.039206|0.045312|0.134323|0.130799|0.143594|0.209054|0.301843|0.500000| |7.477411|6.886101|0.157545|4.827957|8.397807|5.069858|3.022005|2.545236|3.302669|2.736927|3.368781|2.071564|1.917093|1.868372|1.715041|1.622055|1.652799|1.789978|12.331489|0.221878|5.627830|4.975347|7.711480|8.876443|17.677626|4.175252|3.775851|2.976193|2.659074|2.769255|3.381091|3.288916|2.691361|3.206864|2.382339|3.031852|3.685420|3.729767|0.217281|0.146380|0.232186|0.079423|0.085120|0.063313|0.070987|0.070266|0.076844|0.103900|0.087762|0.053910|0.056931|0.053754|0.046151|0.042200|0.043472|0.049636|0.143777|0.126671|0.109259|0.129656|0.214491|0.218141|0.500000| |6.087615|6.827589|0.189218|4.516773|7.399316|4.943223|2.889062|2.540753|3.366481|2.885797|3.448223|2.139178|1.989310|1.904179|1.754311|1.685894|1.743166|1.891307|12.370676|0.180178|7.027408|5.833199|9.607079|8.821914|17.626791|4.810381|3.913699|3.090680|2.879751|3.172843|4.085478|4.273527|3.373766|3.826991|2.757187|3.224882|3.970140|3.871359|0.148021|0.129845|0.198683|0.074253|0.079683|0.062376|0.072435|0.074829|0.083757|0.111490|0.086687|0.054804|0.059861|0.053800|0.046683|0.043830|0.046226|0.053090|0.211630|0.143550|0.130867|0.133428|0.215585|0.173720|0.299804|0.500000| |2.785134|3.057613|0.078843|2.810724|5.487862|3.213825|2.148838|1.942151|2.440312|1.914085|2.108559|1.618284|1.480183|1.414965|1.306861|1.259833|1.304391|1.412635|5.474928|0.117138|4.092676|5.647807|9.640747|6.994382|4.531910|8.981264|17.739028|8.906332|5.692107|4.906287|5.602675|4.130007|3.295780|4.262769|3.586913|5.726712|6.168683|7.194667|0.080498|0.067025|0.077373|0.055472|0.063719|0.050265|0.056617|0.049201|0.055753|0.061166|0.054475|0.043261|0.045800|0.040232|0.035004|0.032999|0.034909|0.040080|0.100741|0.099107|0.136228|0.173029|0.185301|0.229583|0.113830|0.109122|0.500000| |2.060378|2.218319|0.059060|2.085436|3.978478|2.494844|1.708560|1.589890|2.021221|1.567920|1.679649|1.372172|1.268840|1.213136|1.132366|1.101835|1.142388|1.226069|3.662040|0.076404|2.821393|3.591067|5.638725|3.832065|2.934992|5.644720|8.821091|17.783682|9.053756|5.603599|4.925371|3.605186|3.156118|4.486350|4.109033|10.123692|9.298230|14.065033|0.058701|0.051343|0.057723|0.044537|0.050180|0.041749|0.046383|0.040881|0.045693|0.048424|0.043807|0.036913|0.039038|0.034262|0.030383|0.029065|0.030845|0.034921|0.073432|0.071529|0.097776|0.104327|0.109797|0.111766|0.075861|0.076087|0.215345|0.500000| 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