Version2.1 2020-12-19T09:29:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2=[NH+][C@@H](C=c2c1)c3cccc(c3)NC(=O)[C@H]4CCCN(C4)C(=O)CCN5CCCO5 C64045228 RHF 6-31G(d) (6D,7F) c1ccc2=[NH+][C@@H](C=c2c1)c3cccc(c3)NC(=O)[C@H]4CCCN(C4)C(=O)CCN5CCCO5 C01[X(C26H31N4O3)] 186 C1 557 O=C([C@H]1CCCN(C1)C(=O)CCN1CCCO1)Nc1cccc(c1)[C@@H]1C=c2c(=[NH+]1)cccc2 O=C([C@H]1CCCN(C1)C(=O)CCN1CCCO1)Nc1cccc(c1)[C@@H]1C=c2c(=[NH+]1)cccc2 O=C(CCN1CCCO1)N2CCC[C@@H](C2)C(=O)Nc3cccc(c3)[C@@H]4C=C5C=CC=CC5=[NH+]4 InChIKey=NOECQZBNRHOQLL-URXFXBBRSA-O InChI=1S/C26H30N4O3/c31-25(11-14-30-13-5-15-33-30)29-12-4-8-21(18-29)26(32)27-22-9-3-7-19(16-22)24-17-20-6-1-2-10-23(20)28-24/h1-3,6-7,9-10,16-17,21,24H,4-5,8,11-15,18H2,(H,27,32)/p+1/t21-,24-/m0/s1 InChI=1/C26H30N4O3/c31-25(11-14-30-13-5-15-33-30)29-12-4-8-21(18-29)26(32)27-22-9-3-7-19(16-22)24-17-20-6-1-2-10-23(20)28-24/h1-3,6-7,9-10,16-17,21,24H,4-5,8,11-15,18H2,(H,27,32)/p+1/t21-,24-/m0/s1/fC26H31N4O3/h27-28H/q+1 c1ccc2=[NH+][C@@H](C=c2c1)c3cccc(c3)NC(=O)[C@H]4CCCN(C4)C(=O)CCN5CCCO5 C01[X(C26H31N4O3)] 186 C01 557 O=C([C@H]1CCCN(C1)C(=O)CCN1CCCO1)Nc1cccc(c1)[C@@H]1C=c2c(=[NH+]1)cccc2 O=C([C@H]1CCCN(C1)C(=O)CCN1CCCO1)N[C]1[CH][CH][CH][C]([CH]1)[C@@H]1C=[C]2[C]([NH]1)[CH]=[CH][CH]=[CH]2 O=C(CCN1CCCO1)N2CCC[C@@H](C2)C(=O)N[C]3[CH][CH][CH][C]([CH]3)[C@H]4N[C]5C=CC=CC5=C4 InChIKey=ATTPCXCEYQTXCM-URXFXBBRSA-N InChI=1S/C26H31N4O3/c31-25(11-14-30-13-5-15-33-30)29-12-4-8-21(18-29)26(32)27-22-9-3-7-19(16-22)24-17-20-6-1-2-10-23(20)28-24/h1-3,6-7,9-10,16-17,21,24,28H,4-5,8,11-15,18H2,(H,27,32)/t21-,24-/m0/s1 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1.00783 1.00783 1.00783 1.00783 9378.4382 46349.4433 53853.4318 1.00000 -0.00303 -0.00080 0.00304 1.00000 0.00081 0.00080 -0.00082 1.00000 1 0.00924 0.00187 0.00161 0.19244 0.03894 0.03351 17.44 18.12 21.02 33.68 48.34 58.80 65.12 82.03 103.18 111.34 128.07 137.47 171.88 183.40 237.83 249.48 271.01 277.05 306.97 320.72 335.25 366.28 397.01 427.54 440.57 449.54 481.90 511.95 614.93 617.65 644.30 647.59 654.31 694.68 705.35 730.77 746.33 787.07 796.43 853.19 859.04 883.75 894.27 897.02 922.61 933.09 938.60 989.27 1005.07 1011.57 1097.88 1112.87 1123.36 1151.31 1183.21 1204.47 1221.22 1236.24 1260.27 1272.84 1284.90 1292.29 1304.78 1334.84 1348.45 1367.77 1373.73 1388.07 1397.62 1400.06 1421.13 1436.57 1469.88 1476.46 1489.56 1495.05 1506.84 1512.85 1548.96 1553.85 1558.31 1572.45 1603.13 1618.07 1621.09 1635.66 1641.26 1666.98 1682.29 1690.88 1713.98 1722.75 1738.60 1779.30 1781.31 1787.42 1801.55 1818.04 1826.61 1848.90 1850.19 1854.61 1856.95 1879.31 1911.23 1929.78 1940.15 1942.53 1946.12 1977.97 1994.92 2001.92 2004.30 2017.39 2021.14 2052.72 2056.05 2076.72 2087.90 2100.11 2102.79 2120.48 2125.23 2134.95 2153.91 2174.07 2192.42 2198.14 2209.07 2224.27 2247.35 2259.37 2264.10 2282.93 2297.84 2318.92 2329.81 2347.47 2353.61 2355.03 2361.31 2361.58 2372.16 2386.46 2399.79 2403.59 2411.44 2493.01 2507.93 2553.85 2583.46 2595.73 2669.65 2738.20 2859.79 4574.10 4603.39 4615.03 4626.60 4641.42 4641.53 4648.52 4652.28 4656.30 4657.45 4677.86 4683.13 4707.05 4712.02 4717.99 4734.50 4739.91 4763.00 4802.34 4819.96 4826.59 4841.65 4878.43 4879.24 4894.18 4908.35 4919.99 4940.53 4993.41 5543.32 5552.22 0.584593 0.612070 0.613014 0.520074 -1444.191698 -1444.164221 -1444.163277 -1444.256216 3.117189D-04 MUNgauss RevisionA2.0 retrievium 19-Dec-2020 DUDE c1ccc2=[NH+][C@@H](C=c2c1)c3cccc(c3)NC(=O)[C@H]4CCCN(C4)C(=O)CCN5CCCO5 C64045228 RHF 6-31G(d) (6D,10F) C1 447.239616 |X|Y|Z| 69.074889 156.655685 26.296081 65.773729 31 6 7 8 26 4 1 |36.858105| |13.121187|36.858105| |7.686414|14.073454|36.858105| |6.800670|8.079379|13.427545|36.858105| |4.657799|5.265334|7.715096|14.565683|53.358707| |3.945519|4.638194|6.795926|9.286577|25.984187|0.500000| |4.088966|4.139003|5.166233|8.300651|17.754519|0.243705|36.858105| |3.617957|3.657596|4.450020|6.442142|12.477874|0.204988|17.523650|0.500000| |5.154489|4.668952|5.307453|8.468527|11.351064|0.162745|12.706531|0.251131|36.858105| |7.965975|6.887855|7.631863|13.111815|11.492763|0.164262|8.150540|0.176591|14.183706|36.858105| |14.229514|7.852546|6.582317|7.600299|7.195640|0.117381|5.052671|0.121189|7.439370|13.173125|36.858105| |3.298482|3.335437|4.001652|5.513801|10.367021|0.185794|12.532630|0.246837|7.471521|5.436116|3.917747|36.858105| |3.284266|3.326847|3.911708|5.075881|8.465360|0.157660|7.533416|0.155114|6.051487|4.988950|3.812945|13.720043|36.858105| |2.683574|2.711163|3.087044|3.723879|5.936997|0.117440|5.029423|0.116884|4.295613|3.682066|3.027447|7.991764|13.786542|36.858105| |2.328771|2.347282|2.654092|3.163073|5.099347|0.102957|4.434117|0.111210|3.720742|3.139916|2.616400|6.861259|7.883775|13.745531|36.858105| |2.332785|2.349185|2.680046|3.258389|5.432057|0.109578|5.015668|0.133791|3.984658|3.240301|2.648105|7.883974|6.806175|7.933577|13.685521|36.858105| |2.703490|2.724813|3.180471|4.076565|7.233199|0.141230|7.616912|0.206735|5.308980|4.049625|3.137949|13.782407|7.926151|6.925188|7.935545|13.642798|36.858105| |2.026933|2.037767|2.290854|2.707610|4.393385|0.089791|3.903605|0.110619|3.236847|2.699421|2.271805|5.200759|4.543313|5.138088|7.738437|13.646211|7.995119|53.358707| |1.787503|1.798836|1.995536|2.294447|3.618449|0.074606|3.070769|0.086017|2.649570|2.282610|1.973226|3.885848|3.660599|4.309978|6.266294|7.620479|5.141940|18.836960|36.858105| |1.739478|1.752686|1.934294|2.198988|3.422169|0.070685|2.842532|0.077548|2.493815|2.183112|1.906790|3.612272|3.620692|4.514258|6.620351|6.544388|4.452406|11.441219|15.941877|73.516695| |1.617294|1.626259|1.789836|2.030951|3.161770|0.065344|2.643940|0.076083|2.318942|2.022595|1.772746|3.142604|2.903766|3.233928|4.210241|5.050489|4.016311|10.758662|12.550565|14.118509|36.858105| |1.645869|1.641676|1.799629|2.055462|3.189642|0.065146|2.714457|0.079446|2.402852|2.073392|1.817606|3.170060|2.857568|3.094886|3.933605|4.891847|4.095553|10.279851|8.985505|10.725722|17.518451|0.500000| |1.452555|1.455802|1.582683|1.767965|2.695448|0.055568|2.212008|0.062836|1.993503|1.768832|1.579389|2.577967|2.464098|2.767161|3.463872|3.799898|3.111582|6.928250|7.491249|11.916105|12.435875|0.246003|36.858105| |1.337036|1.340484|1.449845|1.604880|2.426559|0.050093|1.970044|0.056645|1.791021|1.604441|1.445318|2.223783|2.104758|2.295121|2.754443|3.037221|2.633205|5.275478|4.899372|7.796766|7.562951|0.191693|12.407959|36.858105| |1.324013|1.339694|1.457540|1.605419|2.441412|0.050981|1.956375|0.056757|1.756156|1.583914|1.422155|2.181295|2.043848|2.196004|2.602094|2.903964|2.578133|4.980267|4.393167|6.891984|6.528594|0.163131|7.489023|12.428376|36.858105| |1.444938|1.467712|1.612275|1.792599|2.766948|0.058057|2.234427|0.065789|1.967100|1.758168|1.558775|2.495025|2.280684|2.419958|2.895893|3.376114|3.029493|5.999308|5.044755|7.352502|7.814953|0.201513|6.589477|7.742300|13.053880|53.358707| |1.577320|1.607730|1.783568|2.004523|3.144780|0.066317|2.562847|0.074742|2.208936|1.954733|1.709900|2.967249|2.710040|2.936832|3.665014|4.385702|3.728170|8.416312|7.581053|10.154135|12.362194|0.248312|7.610507|6.577991|7.871883|17.910808|36.858105| |1.465920|1.484653|1.628580|1.815279|2.797870|0.058405|2.271964|0.068267|2.006525|1.788206|1.585509|2.473360|2.213389|2.288419|2.682746|3.188397|2.999126|5.518750|4.233057|6.145453|5.918486|0.179447|4.877388|5.674410|7.612702|18.986452|7.934154|36.858105| |1.596518|1.617557|1.786765|2.014029|3.141349|0.065492|2.584298|0.079337|2.249145|1.982388|1.737803|2.790863|2.428383|2.464426|2.882980|3.553330|3.456691|6.150184|4.349685|6.154408|5.629057|0.179789|4.285799|4.506540|5.334291|11.569078|7.153105|15.773952|73.516695| |1.333320|1.345971|1.461106|1.609485|2.438995|0.050693|1.957573|0.058611|1.766002|1.593298|1.433398|2.087064|1.891167|1.942487|2.222103|2.560310|2.448739|4.218552|3.236010|4.939499|4.238375|0.127827|3.932966|4.938344|6.456994|10.509930|5.026254|12.568076|14.239677|36.858105| |1.341511|1.351935|1.463388|1.609035|2.425478|0.050224|1.942723|0.058938|1.764464|1.596767|1.441346|2.020699|1.811644|1.825114|2.048587|2.366723|2.340595|3.778426|2.773730|4.266285|3.403681|0.104637|3.096456|3.617559|4.273652|6.867369|3.873097|7.556298|12.337611|12.502325|36.858105| |1.224427|1.231965|1.322710|1.439499|2.143009|0.044298|1.698552|0.051052|1.564847|1.431607|1.307466|1.753815|1.593832|1.606479|1.780663|2.012739|1.989897|3.143040|2.331638|3.681205|2.792721|0.084060|2.656679|3.136827|3.617665|5.304277|3.089774|5.034381|8.111347|7.834267|13.180964|53.358707| |1.206441|1.212393|1.296073|1.403877|2.074702|0.042771|1.635493|0.049369|1.519188|1.398422|1.284635|1.660381|1.505686|1.500511|1.640248|1.846452|1.857978|2.821052|2.054098|3.269375|2.379222|0.071548|2.246306|2.555767|2.853375|4.201409|2.589836|3.841756|6.658839|5.054519|7.801440|17.810454|36.858105| |1.109888|1.111370|1.179525|1.270419|1.860678|0.038234|1.461944|0.043691|1.373536|1.271292|1.178434|1.486202|1.363368|1.364627|1.484404|1.647243|1.646238|2.497084|1.838809|2.969740|2.113507|0.063065|2.051233|2.349029|2.560537|3.607385|2.250016|3.133046|5.316714|4.035304|5.219704|11.127875|12.422144|36.858105| |1.102701|1.101229|1.168658|1.263218|1.853324|0.038017|1.465510|0.043538|1.377369|1.268619|1.174671|1.509117|1.391531|1.406941|1.544013|1.709706|1.683251|2.624750|1.966283|3.176449|2.303993|0.069005|2.287580|2.702459|2.913341|3.966654|2.419962|3.408396|5.558574|4.591771|5.446545|11.654355|7.981108|12.357343|36.858105| |1.188876|1.187665|1.267484|1.381090|2.043648|0.041935|1.630737|0.048692|1.519499|1.386886|1.273434|1.692296|1.548310|1.569498|1.742369|1.955767|1.916613|3.059858|2.295547|3.645288|2.762716|0.084254|2.706290|3.261055|3.563664|4.956974|2.920053|4.489812|7.147713|6.651195|8.297064|18.322488|8.527115|8.147418|13.560768|73.516695| |17.757036|8.759452|5.580474|4.920467|5.022448|0.089853|3.345860|0.084250|4.111377|5.628975|9.053345|2.807203|2.821444|2.377615|2.087302|2.080768|2.364459|2.495050|1.636254|2.842252|1.491388|0.042171|1.352028|1.250685|1.236383|1.824255|1.452863|1.359657|2.616745|1.246089|1.255430|1.569716|1.139537|1.053990|1.046839|1.996937|0.500000| |8.789269|17.722628|9.103502|5.703951|5.718545|0.108345|3.388613|0.085260|3.695741|4.961336|5.654964|2.843185|2.864925|2.408522|2.108469|2.098932|2.386607|2.511785|1.649967|2.871523|1.502412|0.041991|1.355731|1.254818|1.257479|1.865440|1.492621|1.384329|2.665040|1.262977|1.269266|1.583486|1.147495|1.055670|1.044250|1.992926|0.215772|0.500000| |5.509725|8.949924|17.755388|8.744693|9.213997|0.191629|4.516448|0.111561|4.302227|5.480795|4.802324|3.681694|3.618850|2.938688|2.556356|2.576729|3.010094|3.027097|1.953748|3.375579|1.759381|0.048789|1.558102|1.431351|1.450328|2.184973|1.775384|1.616653|3.144051|1.450826|1.450940|1.787010|1.285800|1.168857|1.155684|2.225277|0.123080|0.216935|0.500000| |4.448418|3.870683|4.149179|5.773555|7.817504|0.124429|8.431191|0.200910|17.754399|8.779660|6.363974|6.458151|5.382949|4.095516|3.657499|3.941979|5.085350|4.441679|2.678680|4.465647|2.355176|0.068692|2.033784|1.826788|1.769914|2.684061|2.201073|2.018461|4.014116|1.783805|1.783681|2.155822|1.537306|1.395015|1.405047|2.758650|0.103998|0.088333|0.096661|0.500000| |9.011105|5.574332|4.801276|5.478132|5.836986|0.098038|4.415789|0.109179|6.572157|8.711605|17.743376|3.590519|3.502675|2.862504|2.508684|2.539161|2.963451|2.998221|1.924453|3.306992|1.737062|0.049778|1.557221|1.427704|1.394825|2.069953|1.659221|1.549756|3.010523|1.408232|1.417791|1.756242|1.269377|1.169457|1.168406|2.248448|0.214895|0.123871|0.104984|0.179967|0.500000| |3.793392|3.857351|4.530842|5.846154|8.905384|0.160461|6.933295|0.139624|6.286556|5.703055|4.378204|8.856111|17.712705|8.921307|5.625072|4.916945|5.630156|4.921596|3.041617|5.411279|2.495700|0.068390|2.168138|1.882368|1.834098|2.755733|2.357030|1.974862|3.825100|1.714682|1.655246|2.002654|1.400471|1.275053|1.296075|2.542797|0.089222|0.090983|0.113812|0.149025|0.108968|0.500000| |2.570525|2.597077|2.899663|3.364469|5.116683|0.101991|4.092728|0.096457|3.701000|3.327446|2.843436|5.669943|8.948425|17.728400|8.972817|5.656139|4.979943|5.663133|3.747104|7.278896|2.888739|0.076169|2.562653|2.138736|2.038850|2.999320|2.633288|2.070842|3.903566|1.783363|1.673099|2.026306|1.392748|1.276586|1.318077|2.595436|0.064089|0.064956|0.077177|0.098650|0.075085|0.215679|0.500000| |2.079959|2.094766|2.332990|2.701918|4.235113|0.086362|3.551148|0.091143|3.094329|2.685207|2.303625|4.954925|5.634814|8.920862|17.833253|8.916573|5.648976|9.545388|6.862999|15.292850|4.442166|0.110883|3.805370|2.932021|2.718982|4.015338|3.755240|2.661806|4.953311|2.215046|2.010188|2.393280|1.607513|1.464626|1.536056|3.077851|0.052480|0.052971|0.062958|0.085469|0.061893|0.124135|0.216588|0.500000| |2.604196|2.621481|3.045727|3.867690|6.804044|0.133644|7.092762|0.231651|5.026092|3.852057|3.014276|8.923254|5.638717|4.977021|5.645552|8.905865|17.691481|10.065265|4.828666|7.121954|4.077082|0.120148|3.101906|2.694923|2.678040|4.392392|3.892928|3.310878|7.066584|2.676553|2.601422|2.963025|2.039042|1.783020|1.811620|3.697072|0.063543|0.064039|0.080352|0.135628|0.079469|0.123800|0.107947|0.124187|0.500000| |2.015914|2.024030|2.275386|2.695558|4.385062|0.089438|3.934699|0.116940|3.248777|2.693775|2.263881|4.926343|4.075240|4.294331|5.745217|9.360298|7.658454|26.026357|9.441636|10.890599|7.796802|0.238580|4.860212|3.937674|3.813801|6.582366|6.568767|4.706625|9.951186|3.482608|3.154433|3.482538|2.291312|1.997381|2.091045|4.392796|0.050640|0.050887|0.061313|0.091362|0.061058|0.092323|0.098236|0.143310|0.236062|0.500000| |1.452666|1.444013|1.559143|1.744259|2.636153|0.053792|2.179452|0.061450|1.996031|1.766194|1.586153|2.545150|2.459748|2.782329|3.468489|3.717496|3.036689|6.554292|6.807326|11.565305|8.801632|0.212594|17.568536|8.809329|5.478106|6.718493|5.513111|4.039980|6.561234|3.414326|2.797906|3.327348|2.101215|1.944021|2.172307|4.514304|0.037662|0.037314|0.042370|0.057194|0.043746|0.060285|0.072137|0.107118|0.083109|0.125440|0.500000| |1.422277|1.433840|1.560865|1.731258|2.636614|0.054763|2.132047|0.059904|1.916416|1.717128|1.536222|2.495992|2.433709|2.775174|3.461187|3.643947|2.958194|6.343887|6.923104|12.717590|8.880796|0.174102|17.560082|8.799813|6.650681|7.777283|6.874616|4.190146|6.612304|3.454746|2.763341|3.283115|2.060928|1.892872|2.090595|4.313136|0.036801|0.037223|0.042920|0.053828|0.041899|0.059759|0.072471|0.108674|0.080362|0.119126|0.304215|0.500000| |1.342483|1.337817|1.441454|1.600527|2.410933|0.049400|1.974314|0.057205|1.810126|1.614130|1.457401|2.205607|2.065739|2.223161|2.644172|2.957228|2.614820|5.114832|4.497780|6.980803|6.727548|0.200654|8.825248|17.512678|8.870926|9.345053|5.652017|5.878022|8.396785|5.372751|3.969433|4.664601|2.768645|2.549804|2.990965|6.574216|0.034926|0.034728|0.039337|0.051724|0.040191|0.051413|0.057277|0.076861|0.075413|0.109244|0.216412|0.173371|0.500000| |1.253793|1.256120|1.351133|1.484139|2.224056|0.045889|1.789219|0.051066|1.643261|1.484907|1.348921|2.007498|1.927310|2.106964|2.487794|2.666719|2.327592|4.449702|4.063480|6.866351|5.508552|0.140236|8.817328|17.549352|8.846009|7.648152|4.950112|4.413504|6.433614|4.140314|3.154380|3.885852|2.355741|2.217715|2.570575|5.354993|0.032725|0.032800|0.037096|0.046560|0.037088|0.048357|0.055329|0.074268|0.065476|0.090587|0.209632|0.215779|0.303098|0.500000| |1.252676|1.266003|1.370709|1.501008|2.265312|0.047221|1.805093|0.052571|1.635019|1.483531|1.341148|1.978868|1.852272|1.965819|2.283631|2.533903|2.304609|4.216574|3.557723|5.670190|4.897725|0.131307|5.473273|8.791209|17.670295|12.373927|5.683321|7.138422|8.769400|7.579873|4.738729|5.669653|3.163595|2.867559|3.353588|7.372995|0.032615|0.033117|0.037905|0.045836|0.036617|0.046613|0.050950|0.065666|0.066988|0.090669|0.123098|0.137344|0.216165|0.210249|0.500000| |1.295035|1.317405|1.435271|1.571058|2.387672|0.050199|1.890365|0.054360|1.692671|1.538383|1.383181|2.114909|2.007902|2.174641|2.565882|2.800023|2.469296|4.690802|4.190578|6.881506|5.717406|0.134630|6.697666|8.816018|17.552103|12.551410|7.173428|5.790811|7.880544|5.019764|3.599320|4.276526|2.548964|2.310982|2.582655|5.420279|0.033612|0.034461|0.039881|0.047060|0.037549|0.050237|0.056590|0.075353|0.070183|0.096949|0.137733|0.193114|0.173807|0.215478|0.304365|0.500000| |1.527226|1.566689|1.738894|1.934447|3.023430|0.064363|2.414946|0.069298|2.084898|1.868865|1.642113|2.805471|2.631341|2.897241|3.588333|4.067833|3.419804|7.265442|6.811339|10.359044|8.820099|0.174591|7.020300|5.947394|7.263395|12.538324|17.550777|5.874296|9.358923|4.227956|3.327613|3.760788|2.343545|2.067509|2.215468|4.640211|0.039147|0.040604|0.048426|0.057241|0.044104|0.064042|0.073371|0.104878|0.096091|0.145796|0.141989|0.208539|0.134164|0.133936|0.146787|0.221078|0.500000| |1.689665|1.732371|1.942581|2.201213|3.513686|0.074735|2.873084|0.085160|2.416149|2.125365|1.835587|3.317467|2.940501|3.113735|3.858202|4.850212|4.276734|9.219397|6.951777|9.185252|8.694496|0.210840|5.503258|4.885502|5.708403|12.563811|17.699567|7.623442|14.797878|4.766399|3.925305|4.179231|2.627558|2.242834|2.357313|5.037237|0.042951|0.044483|0.053833|0.066206|0.049136|0.070484|0.076107|0.105314|0.128194|0.216129|0.122688|0.141147|0.125262|0.108176|0.127705|0.147350|0.302192|0.500000| |1.291930|1.296214|1.398567|1.540248|2.317734|0.047838|1.869216|0.055549|1.706462|1.538064|1.391665|2.001790|1.829900|1.892669|2.168440|2.472056|2.338736|4.077560|3.189926|4.917270|4.230832|0.129876|4.159733|5.588385|6.692481|9.262949|4.621570|8.906552|11.113250|17.574084|8.901662|9.659396|4.687249|4.026947|4.963233|13.320269|0.033647|0.033796|0.038414|0.048269|0.038194|0.046157|0.048519|0.060587|0.070231|0.092195|0.102266|0.099132|0.182920|0.131167|0.232650|0.138570|0.109122|0.116912|0.500000| |1.268194|1.286626|1.396164|1.525139|2.304275|0.048199|1.824499|0.054215|1.646146|1.499315|1.353983|1.943002|1.779905|1.834192|2.084058|2.360113|2.249663|3.823759|2.971936|4.647716|3.800569|0.108879|3.651737|4.614181|6.495950|9.618109|4.651351|8.897868|10.875512|17.563843|8.885330|9.845727|4.757542|3.923105|4.422169|10.450107|0.032990|0.033691|0.038726|0.045900|0.036850|0.045083|0.047145|0.058096|0.067407|0.085626|0.087427|0.092545|0.131078|0.112084|0.230690|0.149407|0.115377|0.121185|0.304083|0.500000| |1.374693|1.394693|1.517455|1.664686|2.520811|0.052581|2.001124|0.061113|1.800584|1.636354|1.471555|2.062779|1.838455|1.836960|2.048307|2.373394|2.380272|3.739876|2.699230|4.159993|3.226374|0.097115|2.873252|3.239897|3.885395|6.468968|3.797493|6.912362|12.434899|8.861574|17.595240|12.670795|7.201671|4.684111|4.483208|10.504400|0.035651|0.036403|0.042002|0.050103|0.039976|0.046740|0.046670|0.055407|0.074017|0.086937|0.071785|0.072625|0.095371|0.078921|0.115911|0.094393|0.091856|0.111233|0.174212|0.212111|0.500000| |1.402181|1.403854|1.516827|1.679896|2.530753|0.051949|2.053943|0.062820|1.875269|1.682898|1.517022|2.126471|1.888248|1.890451|2.121823|2.478239|2.476973|3.959894|2.849173|4.337310|3.463808|0.110660|3.094399|3.522538|3.916482|6.325397|3.762651|6.854827|12.634311|8.816800|17.532431|12.360462|7.004079|4.893085|5.085734|13.562498|0.036416|0.036460|0.041502|0.053094|0.041626|0.047814|0.047882|0.057396|0.077460|0.093371|0.079195|0.075510|0.110549|0.084723|0.115995|0.091264|0.088251|0.107259|0.212548|0.173537|0.301758|0.500000| |1.201490|1.214126|1.300805|1.402361|2.073703|0.042986|1.619491|0.048931|1.497692|1.386593|1.273234|1.635196|1.482863|1.472284|1.601168|1.798234|1.819542|2.724067|1.974513|3.155724|2.260069|0.067011|2.119939|2.379838|2.696405|4.011461|2.503578|3.615926|6.349928|4.556680|6.645576|12.428971|17.606656|8.650394|5.820308|10.630524|0.031511|0.031999|0.036016|0.041807|0.034799|0.038421|0.037990|0.043484|0.055450|0.061266|0.054792|0.054690|0.070168|0.061084|0.082227|0.068184|0.063654|0.071411|0.112859|0.124813|0.199206|0.159453|0.500000| |1.264884|1.265993|1.352233|1.471535|2.173661|0.044573|1.725626|0.052487|1.608309|1.473964|1.352788|1.739268|1.564688|1.548697|1.689519|1.915921|1.948719|2.918194|2.093389|3.310694|2.404794|0.073470|2.236910|2.500508|2.730674|4.091511|2.576908|3.784134|6.856891|4.699937|7.351223|12.288139|17.490119|8.761167|6.435834|12.937365|0.033157|0.033184|0.037105|0.045400|0.037218|0.040401|0.039762|0.045681|0.059971|0.066453|0.058615|0.056595|0.076021|0.063501|0.082142|0.067438|0.064070|0.073489|0.122353|0.116786|0.189678|0.218051|0.299372|0.500000| |1.060240|1.065225|1.129846|1.210110|1.768647|0.036470|1.378656|0.041035|1.294795|1.205549|1.120253|1.400360|1.291346|1.293599|1.401632|1.544434|1.541628|2.326641|1.719618|2.799673|1.962050|0.057729|1.916101|2.186965|2.405718|3.357240|2.106063|2.850405|4.809515|3.606696|4.427354|8.896389|8.738312|17.595987|8.737490|10.808284|0.028012|0.028202|0.031211|0.036376|0.030819|0.033660|0.033744|0.038499|0.046115|0.051302|0.050318|0.049690|0.064851|0.057933|0.074963|0.061335|0.054494|0.058273|0.098617|0.101627|0.115696|0.111812|0.221231|0.175664|0.500000| |1.101426|1.098748|1.161185|1.249456|1.820303|0.037243|1.431354|0.042807|1.355307|1.256356|1.169873|1.445255|1.325422|1.320627|1.428244|1.581758|1.591191|2.377343|1.737428|2.813518|1.971600|0.059099|1.908941|2.152361|2.297732|3.244561|2.067722|2.790847|4.841441|3.436315|4.358068|8.085411|8.745080|17.595156|8.671446|11.182944|0.029123|0.029003|0.031877|0.038362|0.032352|0.034549|0.034346|0.039027|0.047887|0.052765|0.050794|0.048931|0.065100|0.056588|0.070223|0.057849|0.052799|0.057536|0.096190|0.091165|0.110677|0.120717|0.187372|0.225043|0.301986|0.500000| 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