Version2.4 2021-06-07T02:04:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCN([C@@H](c1ccc(c(c1)OC)OC)C(=O)NC2CCCCC2)C(=O)c3cc(ccc3[O-])[N+](=O)[O-] C36570236 RHF 6-31G(d) (6D,7F) CCCN([C@@H](c1ccc(c(c1)OC)OC)C(=O)NC2CCCCC2)C(=O)c3cc(ccc3[O-])[N+](=O)[O-] C01[X(C26H32N3O7)] 198 C1 604 CCCN(C(=O)c1cc(ccc1[O-])[N+](=O)[O-])[C@@H](c1ccc(c(c1)OC)OC)C(=O)NC1CCCCC1 CCCN(C(=O)c1cc(ccc1[O-])[N+](=O)[O-])[C@@H](c1ccc(c(c1)OC)OC)C(=O)NC1CCCCC1 CCCN([C@H](C(=O)NC1CCCCC1)c2ccc(OC)c(OC)c2)C(=O)c3cc(ccc3[O-])[N+]([O-])=O InChIKey=IRRKUVFAVZEGLB-DEOSSOPVSA-M InChI=1S/C26H33N3O7/c1-4-14-28(26(32)20-16-19(29(33)34)11-12-21(20)30)24(25(31)27-18-8-6-5-7-9-18)17-10-13-22(35-2)23(15-17)36-3/h10-13,15-16,18,24,30H,4-9,14H2,1-3H3,(H,27,31)/p-1/t24-/m0/s1 InChI=1/C26H33N3O7/c1-4-14-28(26(32)20-16-19(29(33)34)11-12-21(20)30)24(25(31)27-18-8-6-5-7-9-18)17-10-13-22(35-2)23(15-17)36-3/h10-13,15-16,18,24,30H,4-9,14H2,1-3H3,(H,27,31)/p-1/t24-/m0/s1/fC26H32N3O7/h30h,27H/q-1 CCCN([C@@H](c1ccc(c(c1)OC)OC)C(=O)NC2CCCCC2)C(=O)c3cc(ccc3[O-])[N+](=O)[O-] C01[X(C26H32N3O7)] 198 C01 604 CCCN(C(=O)c1cc(ccc1[O-])[N+](=O)[O-])[C@@H](c1ccc(c(c1)OC)OC)C(=O)NC1CCCCC1 CCCN(C(=O)[C]1[CH][C]([CH][CH][C]1[O])[N]([O])[O])[C@@H]([C]1[CH][CH][C]([C]([CH]1)OC)OC)[C]([NH]C1CCCCC1)=O CCCN([C@@H]([C]1[CH][CH][C](OC)[C]([CH]1)OC)C(=O)NC2CCCCC2)C(=O)[C]3[CH][C]([CH][CH][C]3[O])N([O])[O] InChIKey=GIQVKLFLCPMUTM-DEOSSOPVSA-N InChI=1S/C26H32N3O7/c1-4-14-28(26(32)20-16-19(29(33)34)11-12-21(20)30)24(25(31)27-18-8-6-5-7-9-18)17-10-13-22(35-2)23(15-17)36-3/h10-13,15-16,18,24H,4-9,14H2,1-3H3,(H,27,31)/t24-/m0/s1 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|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|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| 11.4744 20.3278 25.3641 31.4853 33.6389 37.8739 45.6809 46.5486 56.9706 61.9377 71.7389 76.8740 90.4352 107.2278 117.0650 122.5762 137.4981 146.6328 150.7868 173.3732 180.1267 192.4777 200.3436 224.9551 236.2697 245.8924 248.9404 253.7117 259.0950 277.8732 292.1312 305.1178 311.1131 330.0090 357.9102 366.7943 378.9296 386.8445 397.7147 406.2469 411.7419 445.5012 454.5900 475.3263 483.8502 489.1813 504.0262 521.6752 539.1487 544.9218 557.9061 596.2951 604.4197 637.0073 652.2496 668.8432 676.8276 696.8151 711.7558 744.2975 790.6655 798.1646 814.8890 819.9298 841.6102 845.7200 850.7963 862.1522 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54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 6 6 6 7 6 1 6 6 6 6 6 6 8 6 8 6 6 8 7 6 6 6 6 6 6 6 8 6 6 6 6 6 6 8 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 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 15401.9917 22313.8526 29950.9965 0.99966 0.02521 -0.00601 -0.02533 0.99946 -0.02090 0.00548 0.02105 0.99976 1 0.00562 0.00388 0.00289 0.11718 0.08088 0.06026 16.51 29.25 36.49 45.30 48.40 54.49 65.72 66.97 81.97 89.11 103.22 110.60 130.12 154.28 168.43 176.36 197.83 210.97 216.95 249.45 259.16 276.93 288.25 323.66 339.94 353.78 358.17 365.03 372.78 399.80 420.31 439.00 447.62 474.81 514.95 527.74 545.20 556.58 572.22 584.50 592.40 640.98 654.05 683.89 696.15 703.82 725.18 750.57 775.71 784.02 802.70 857.94 869.63 916.51 938.44 962.32 973.80 1002.56 1024.06 1070.88 1137.59 1148.38 1172.44 1179.70 1210.89 1216.80 1224.11 1240.44 1255.20 1265.65 1275.44 1314.31 1332.05 1336.47 1338.00 1351.70 1365.86 1388.12 1389.45 1408.32 1419.18 1452.51 1460.91 1471.11 1525.24 1531.39 1537.87 1564.39 1587.85 1600.04 1604.96 1605.46 1645.76 1674.40 1686.47 1697.89 1719.64 1730.40 1757.84 1758.97 1763.44 1769.86 1811.61 1814.42 1841.11 1851.67 1856.10 1863.62 1892.32 1900.39 1912.84 1933.01 1937.59 1955.89 1974.93 2000.57 2011.89 2016.87 2022.03 2030.17 2054.54 2068.73 2087.73 2098.44 2108.77 2111.68 2118.63 2140.16 2159.33 2163.65 2190.24 2191.53 2193.97 2205.03 2207.64 2239.26 2242.00 2249.57 2271.74 2288.77 2332.10 2346.56 2347.89 2352.73 2354.78 2360.93 2362.40 2364.05 2364.28 2367.78 2375.27 2376.17 2385.89 2389.42 2390.96 2393.32 2410.19 2459.47 2514.83 2549.26 2567.82 2576.35 2583.51 2613.40 2725.38 2764.61 4566.81 4568.79 4577.98 4585.12 4596.34 4598.06 4607.52 4626.54 4627.14 4631.16 4644.16 4656.45 4657.75 4660.56 4661.54 4676.59 4677.02 4684.41 4701.38 4721.68 4730.45 4757.74 4760.45 4770.70 4784.13 4852.87 4879.05 4912.78 4913.02 4914.00 4949.52 5294.05 0.603449 0.636352 0.637296 0.534489 -1689.943796 -1689.910893 -1689.909949 -1690.012755 3.448130D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCCN([C@@H](c1ccc(c(c1)OC)OC)C(=O)NC2CCCCC2)C(=O)c3cc(ccc3[O-])[N+](=O)[O-] C36570236 RHF 6-31G(d) (6D,10F) C1 498.224026 |X|Y|Z| 48.804425 79.682947 101.764568 73.418763 23 6 7 21 2 |36.858105| |12.456734|36.858105| |7.542249|12.446822|36.858105| |4.940925|7.547358|13.042380|53.358707| |3.997061|5.450948|7.599659|17.748813|36.858105| |3.333525|4.372895|5.642378|12.660727|17.659914|0.500000| |3.972484|5.362171|6.019630|10.431832|12.464045|0.250833|36.858105| |4.165009|5.181070|5.388539|7.645602|7.391352|0.157533|13.846770|36.858105| |3.656194|4.293119|4.074918|5.658607|4.954028|0.117847|7.918343|13.644635|36.858105| |3.195514|3.804781|3.546105|5.153109|4.399411|0.111917|6.789558|7.888371|13.847388|36.858105| |3.102042|3.874309|3.709534|5.811502|5.027526|0.134968|7.838466|6.850013|7.947973|13.550487|36.858105| |3.398313|4.492988|4.616350|8.018355|7.630651|0.206822|13.584989|7.993781|6.940798|7.937966|13.840560|36.858105| |2.652504|3.211942|3.046871|4.727429|3.880332|0.109211|5.162127|4.615533|5.297898|8.155220|14.129126|7.889901|73.516695| |2.467478|3.005486|2.911001|4.660617|3.726603|0.110408|4.507929|3.801171|3.994462|5.242447|8.023097|6.745449|24.162796|36.858105| |2.760666|3.137616|2.880847|4.094186|3.354700|0.087708|4.582715|5.172455|7.873472|14.077220|8.136856|5.286819|13.064608|4.773482|73.516695| |2.647746|2.873286|2.627763|3.604028|2.910022|0.075179|3.786964|4.520073|6.757960|8.048653|5.251179|3.997784|8.502516|3.540975|24.327990|36.858105| |3.644065|4.445404|6.313755|10.465810|12.308607|0.252918|7.333562|6.168115|4.272281|3.628916|3.829327|5.016264|5.484323|2.937503|5.142711|2.626692|36.858105| |3.397194|3.925951|5.057477|7.432694|7.852165|0.175777|6.613820|6.619682|4.603211|3.730764|3.726984|4.586457|5.313687|2.764628|5.316467|2.779257|15.778406|73.516695| |3.358555|3.958368|5.715601|9.203240|7.879718|0.199584|5.038889|4.344763|3.302048|2.919721|3.106342|3.919331|4.663297|2.575887|4.302699|2.222467|14.204846|15.072917|53.358707| |2.846425|3.153363|4.182603|6.115616|5.021924|0.133388|3.785858|3.499490|2.801011|2.485810|2.582055|3.094515|3.971148|2.190067|3.769389|1.988598|7.803944|12.131781|17.899192|36.858105| |2.732718|2.940758|3.832450|5.358123|3.960432|0.106280|3.082646|2.870155|2.374095|2.142500|2.226273|2.616103|3.496294|1.951210|3.310229|1.758092|5.193473|8.104053|10.665686|12.441095|36.858105| |2.302966|2.409975|2.966536|4.084029|3.066631|0.083325|2.535312|2.422165|2.065510|1.876315|1.926748|2.204069|3.069973|1.710492|2.952129|1.587301|3.863086|6.517171|6.827923|7.516099|12.438112|36.858105| |2.025389|2.148297|2.591034|3.693892|2.868337|0.080496|2.408243|2.282098|1.970261|1.813056|1.874204|2.134051|3.014338|1.690338|2.868555|1.537307|3.554438|6.095335|6.036960|6.413735|7.519768|12.440733|36.858105| |2.070018|2.226666|2.691181|3.915912|3.203390|0.090533|2.701847|2.562448|2.194335|2.007009|2.071748|2.370607|3.302436|1.838277|3.151676|1.684173|4.135902|7.358898|6.781784|7.504299|6.447956|7.545924|12.442430|36.858105| |2.365483|2.624978|3.287930|4.995277|4.269917|0.122646|3.397520|3.112370|2.575936|2.343653|2.459090|2.908746|3.852115|2.147803|3.599266|1.892536|5.922775|9.928703|10.500551|12.412674|7.547339|6.455955|7.527272|12.438351|36.858105| |4.216284|6.044889|7.904717|18.951877|7.592440|0.206526|5.483143|4.178085|3.392365|3.279221|3.820396|5.052442|5.884523|3.453687|4.811243|2.370180|5.283918|7.179339|7.138870|3.798817|3.545698|2.761237|2.533831|2.620998|3.263046|36.858105| |4.503649|6.234004|7.217395|11.631905|5.305551|0.140650|4.291724|3.543443|2.995903|2.906295|3.286290|4.044447|5.212094|3.054013|4.389478|2.198670|4.157764|5.974647|5.776311|3.291772|3.233316|2.573093|2.330008|2.351054|2.822867|15.782632|73.516695| |3.191472|4.201259|4.998353|10.409488|6.425915|0.218268|4.913121|3.677017|3.096580|3.121139|3.795549|5.034270|6.102671|3.811926|4.648415|2.257567|4.641979|6.484141|6.347684|3.528113|3.257723|2.607142|2.491465|2.605875|3.255889|12.668039|14.400330|36.858105| |2.906614|3.752626|4.038134|7.439111|4.880254|0.158316|4.325526|3.335409|2.959836|3.122841|3.915972|4.919572|6.678435|4.470240|4.754964|2.274647|3.639620|5.403644|4.815147|2.834726|2.640700|2.197912|2.126570|2.223571|2.685916|7.748486|11.381716|13.930582|36.858105| |2.398028|2.950831|3.149671|5.474645|3.880846|0.128092|3.554414|2.841008|2.592101|2.777113|3.454658|4.105881|6.197188|4.342826|4.350835|2.091057|3.099200|4.742417|4.151048|2.547857|2.383527|2.034933|2.014992|2.110973|2.508687|5.063367|7.891870|7.915578|13.632919|36.858105| |2.183456|2.626964|2.897463|5.005421|3.686843|0.125330|3.259872|2.639033|2.384120|2.503955|3.031323|3.602438|5.352116|3.602178|3.937437|1.922086|3.102546|4.746173|4.287277|2.684437|2.515867|2.160605|2.184404|2.291725|2.730434|4.435445|6.837690|6.814895|7.865378|13.539211|36.858105| |2.291038|2.759048|3.185839|5.644580|4.201395|0.148004|3.465714|2.782225|2.440731|2.489780|2.956815|3.620582|5.015849|3.214575|3.858446|1.903725|3.632235|5.395583|5.236261|3.237200|3.025291|2.541450|2.581635|2.709420|3.321976|4.961461|7.352169|7.799218|6.853126|7.945034|14.038077|36.858105| |2.732337|3.393734|4.149633|7.975902|5.651427|0.205434|4.200045|3.262849|2.751894|2.736226|3.234734|4.154669|5.255227|3.253471|4.137364|2.042775|4.680994|6.519862|6.948336|3.961173|3.663238|2.914959|2.860688|2.995768|3.828743|7.437220|9.920634|13.179421|7.771053|6.710745|7.767312|13.208329|36.858105| |2.764679|3.354836|4.319015|7.996582|5.762963|0.197440|4.046708|3.242562|2.681803|2.585673|2.949634|3.739889|4.706410|2.809314|3.910244|1.965518|5.405655|7.281190|9.126612|5.107533|4.756294|3.589594|3.493756|3.626403|4.845169|6.592173|9.112864|8.084671|5.312347|4.671260|5.323219|8.117054|15.369939|73.516695| |2.181791|2.625327|2.688147|4.429960|3.162040|0.099764|3.066619|2.542651|2.404754|2.640140|3.264955|3.627021|6.201653|4.544985|4.264463|2.046595|2.587910|4.084883|3.422446|2.155629|2.028934|1.769229|1.755839|1.835662|2.131164|3.895510|6.422489|5.161860|7.825375|13.499866|7.791198|5.169991|4.482658|6.169786|53.358707| |2.286668|2.758993|2.724303|4.388882|3.077200|0.093827|3.087342|2.592911|2.497170|2.787113|3.457558|3.717071|6.739182|5.017668|4.548542|2.167239|2.492693|3.969766|3.247362|2.041908|1.923391|1.679317|1.649626|1.722203|1.988765|3.821990|6.483056|4.682086|7.043959|8.430444|5.390452|4.091979|3.850207|5.492721|21.446478|73.516695| |1.919514|2.256560|2.320625|3.744386|2.724593|0.085679|2.647612|2.244812|2.143094|2.344582|2.832925|3.073434|5.434958|3.902463|3.854542|1.872848|2.309138|3.698086|3.081755|1.985471|1.878239|1.663335|1.670424|1.744194|1.997269|3.191289|5.309430|4.086439|5.410791|8.442207|7.029755|4.685963|3.849899|5.495036|21.480163|16.012550|73.516695| |17.526443|8.764588|6.844158|6.232553|3.630282|0.086166|3.436981|3.493539|3.067293|2.735106|2.704874|2.984665|4.197635|2.243447|4.262259|2.302156|3.405086|5.569853|4.476747|2.834645|2.819801|2.376026|2.059551|2.064934|2.336766|4.096720|8.142691|3.098415|2.796387|2.321145|2.133763|2.255034|2.693250|4.905821|2.864450|3.890485|3.309001|0.500000| |17.514066|8.749474|6.821439|6.229903|3.960355|0.090561|3.992868|4.440673|3.863544|3.236569|3.044316|3.308371|4.573361|2.356749|4.963073|2.736682|3.806222|6.553430|4.690504|2.975042|2.815084|2.391584|2.092158|2.155064|2.449565|3.754991|6.804242|2.932785|2.650376|2.226729|2.060484|2.178823|2.583216|4.724632|2.757444|3.738380|3.201163|0.301404|0.500000| |17.537094|8.774332|5.481138|5.540624|3.423372|0.081585|3.543602|3.756470|3.495994|3.135202|3.004345|3.168862|4.658878|2.424347|4.949264|2.700550|3.092042|5.215734|3.875101|2.458802|2.364913|2.035855|1.816656|1.857820|2.097759|3.642827|6.975577|2.874908|2.709448|2.265658|2.045488|2.109135|2.459152|4.351906|2.864711|3.977418|3.301919|0.301747|0.301686|0.500000| |8.854252|17.613391|8.900989|9.363742|4.824787|0.114481|4.675112|4.291149|3.725061|3.500130|3.702777|4.257108|5.669587|3.079067|5.254874|2.672552|3.852330|5.980342|4.846149|2.866396|2.731194|2.254782|2.028311|2.081392|2.438526|6.571934|13.595470|4.503612|4.160687|3.193433|2.769646|2.857575|3.494548|5.957101|3.888599|5.427949|4.304162|0.210894|0.172758|0.212012|0.500000| |8.853529|17.572768|8.848496|9.357971|5.690229|0.125415|6.470885|6.565103|5.513868|4.795768|4.758579|5.400318|6.718680|3.395752|6.774931|3.430595|4.459171|7.240750|5.116567|3.009311|2.725318|2.266752|2.058339|2.172369|2.565791|5.391806|9.173853|4.039640|3.725268|2.962864|2.616452|2.708311|3.265242|5.641837|3.636400|5.042328|4.077817|0.172868|0.210433|0.212176|0.302950|0.500000| |6.949976|8.869442|17.578471|12.559002|7.559839|0.149926|6.175596|6.085648|4.379648|3.608820|3.623886|4.429373|5.215051|2.740949|5.185658|2.712861|7.515171|11.237339|8.634277|4.701779|4.125141|3.192294|2.756718|2.910197|3.564802|5.807143|9.212941|4.194040|3.447651|2.804054|2.642630|2.925090|3.715963|7.098342|3.294943|4.329908|3.780044|0.171044|0.206341|0.141389|0.174507|0.212038|0.500000| |6.939699|8.873262|17.606037|12.522936|5.807378|0.132112|4.563151|4.150859|3.313148|2.954228|3.092394|3.735895|4.684474|2.570385|4.408299|2.291666|5.342338|7.695770|7.455069|4.187006|4.122694|3.146334|2.677800|2.694780|3.235989|7.358365|13.697965|4.719962|3.787743|2.999596|2.801604|3.114718|4.060786|7.739759|3.482965|4.573375|3.961952|0.206728|0.170100|0.141401|0.213795|0.174012|0.303600|0.500000| |4.386243|5.126178|5.604313|7.290513|6.755983|0.141436|8.942043|17.806720|8.943844|5.652148|4.947687|5.661729|6.518005|3.140748|7.452558|3.934966|6.764343|14.346951|6.388208|3.856822|3.121568|2.630613|2.437285|2.742663|3.314006|3.913931|6.020456|3.370825|2.992028|2.567885|2.430506|2.606513|3.077357|5.628476|3.119060|4.120940|3.634877|0.102657|0.137749|0.106807|0.113955|0.168956|0.196299|0.121285|0.500000| |3.508064|3.857305|3.618751|4.806568|4.051194|0.097478|5.661843|8.949535|17.751527|8.947002|5.641547|4.990059|7.589208|3.329769|12.555106|7.536627|3.741028|7.393190|4.053290|2.608860|2.236100|1.977619|1.881214|2.087269|2.398419|2.928884|4.715924|2.666037|2.549514|2.264002|2.104827|2.158515|2.411646|4.235122|2.887126|3.913855|3.402868|0.081939|0.106167|0.094693|0.092673|0.133116|0.110267|0.083923|0.218199|0.500000| |3.126247|4.122195|4.348330|8.040349|7.218989|0.229728|8.925289|5.687823|4.991492|5.649804|8.989838|17.772816|12.651531|7.579556|7.596251|3.337483|4.710119|7.325376|5.302502|3.062678|2.625911|2.204179|2.152224|2.373380|2.927257|5.615216|7.748035|6.281421|6.441545|5.299383|4.485827|4.395614|4.987650|7.491730|6.121691|8.008396|6.558966|0.078354|0.082998|0.080985|0.113655|0.129488|0.111850|0.101308|0.124567|0.108227|0.500000| |2.215023|2.624698|2.519432|3.922595|3.076665|0.090376|3.611904|3.188770|3.416539|4.405275|5.886704|4.914256|17.003696|17.639855|7.741053|3.333613|2.520183|4.267480|3.061743|1.951081|1.759056|1.561573|1.548739|1.674706|1.925830|2.933514|4.741068|3.216778|3.776323|3.816886|3.221863|2.842144|2.813833|4.368454|5.755163|8.460411|6.740691|0.056385|0.058858|0.061187|0.075094|0.081307|0.066247|0.062855|0.075174|0.082013|0.147500|0.500000| |2.343319|2.847755|2.865530|4.708332|3.904217|0.121091|4.569375|3.739659|3.783924|4.721401|7.010797|6.743242|16.416915|17.557752|7.448485|3.216286|3.096823|5.156074|3.705873|2.315353|2.042276|1.789506|1.788836|1.963567|2.313541|3.491549|5.361061|4.033087|4.659099|4.750938|4.082018|3.620359|3.566703|5.417896|6.545118|8.707784|7.491865|0.059771|0.062694|0.063022|0.080229|0.087790|0.075587|0.070698|0.086689|0.087812|0.229614|0.300134|0.500000| |2.669472|3.326526|3.177445|5.150874|3.921722|0.115861|4.583834|3.764574|3.819306|4.773328|7.060397|6.733785|16.388149|17.588512|7.530042|3.249418|3.005140|4.908976|3.630301|2.237432|2.016358|1.750807|1.714187|1.843550|2.161985|3.969394|6.282444|4.404029|5.508142|5.109469|3.947505|3.461315|3.559074|5.340428|7.356802|11.399831|7.707124|0.067556|0.069433|0.072893|0.097506|0.103530|0.080837|0.078014|0.087088|0.088590|0.225393|0.300376|0.299441|0.500000| |2.353744|2.525974|2.312880|3.181315|2.531961|0.066519|3.175876|3.618163|4.916815|5.888077|4.402403|3.414238|7.734287|3.327899|17.038310|17.624978|2.299021|4.285100|2.700128|1.792811|1.602131|1.458364|1.419005|1.546241|1.720876|2.136819|3.559765|2.060075|2.101662|1.960157|1.803422|1.770104|1.874380|3.194350|2.651308|3.682115|3.198772|0.057666|0.066931|0.067300|0.066460|0.081909|0.065657|0.056933|0.089391|0.146924|0.082099|0.090248|0.083556|0.084358|0.500000| |2.939096|3.121596|2.772531|3.691277|2.909002|0.073757|3.743084|4.591538|6.763084|7.064882|4.759512|3.808268|7.505999|3.240326|16.452402|17.538316|2.633099|4.937501|3.042357|1.996745|1.778979|1.602185|1.535113|1.668360|1.870878|2.411256|4.026541|2.245763|2.247659|2.038705|1.866514|1.858052|2.015975|3.467202|2.703759|3.757613|3.214506|0.069917|0.084999|0.084697|0.079799|0.104808|0.079711|0.066997|0.113807|0.226514|0.088446|0.084269|0.081455|0.085516|0.299919|0.500000| |2.526571|2.719288|2.558395|3.512035|2.898472|0.074847|3.739862|4.589767|6.760376|7.054930|4.753338|3.804952|7.498997|3.225153|16.451420|17.538564|2.694490|5.202191|3.083524|2.050569|1.795185|1.630791|1.586595|1.754602|1.964486|2.283917|3.738867|2.182511|2.166362|2.003215|1.870591|1.872742|2.009017|3.476069|2.642505|3.600704|3.180961|0.061491|0.073790|0.070436|0.069445|0.088813|0.074794|0.062163|0.114060|0.227196|0.088358|0.083873|0.084209|0.081834|0.299905|0.299303|0.500000| |3.261163|3.930604|5.651242|10.012223|7.682799|0.217741|4.776172|3.937458|3.073209|2.804800|3.068474|3.918100|4.685763|2.654461|4.159592|2.124814|9.501577|10.923476|25.764677|9.047947|7.180798|4.646452|4.196743|4.491713|6.650681|6.275961|8.715250|5.737418|4.083218|3.475122|3.641339|4.649732|6.711308|17.998471|3.784965|4.624536|4.418369|0.089915|0.089982|0.077385|0.101999|0.102055|0.157332|0.156273|0.112896|0.076316|0.113016|0.064271|0.078355|0.077513|0.053104|0.059219|0.059473|0.500000| |2.909977|3.138152|4.072048|5.621765|4.663735|0.118484|3.735069|3.640766|2.912990|2.524878|2.553772|3.000954|3.898530|2.111107|3.837132|2.054472|7.401891|13.666272|12.650550|17.587070|8.881926|6.802602|5.665893|6.803147|8.890369|3.407514|5.343451|3.105898|2.566573|2.307385|2.389326|2.794387|3.340740|7.209565|2.707016|3.391063|3.261957|0.079780|0.086904|0.069755|0.077634|0.084060|0.133878|0.111190|0.116165|0.076760|0.080335|0.052440|0.061435|0.059467|0.051203|0.057594|0.059423|0.179986|0.500000| |3.073855|3.238303|4.290128|5.628048|3.947874|0.102074|3.097365|2.927716|2.415832|2.161042|2.225657|2.603532|3.480922|1.930249|3.338012|1.781850|5.038679|7.863018|9.731450|8.860281|17.540363|8.797918|5.480555|4.838922|5.504328|3.676181|6.125157|3.220441|2.619795|2.324026|2.398378|2.828106|3.461524|7.714498|2.710436|3.397157|3.253541|0.089907|0.088315|0.072673|0.082719|0.081425|0.129483|0.133881|0.089595|0.063557|0.071880|0.048358|0.055428|0.055808|0.045014|0.050602|0.050295|0.181468|0.215871|0.500000| |2.627864|2.879931|3.734321|5.440145|3.917448|0.109186|3.006122|2.723421|2.271288|2.088124|2.208286|2.612270|3.504372|1.987443|3.233166|1.701338|4.785371|7.178054|9.814447|8.874359|17.507641|8.837340|6.767991|5.662616|6.803173|3.789751|6.147188|3.576394|2.853200|2.587839|2.779189|3.430344|4.197925|10.217485|2.956876|3.619573|3.577467|0.075727|0.073478|0.063629|0.076083|0.073777|0.106457|0.113169|0.080147|0.058862|0.074451|0.049779|0.058063|0.057470|0.043273|0.047652|0.047911|0.216979|0.174375|0.303209|0.500000| |2.319750|2.382785|2.896893|3.883505|2.941004|0.078321|2.490361|2.439243|2.087954|1.875264|1.896853|2.147074|3.010196|1.658466|2.959222|1.607255|3.750081|6.615276|6.271747|6.769507|8.844757|17.483311|8.857860|6.798561|5.668769|2.575965|4.286891|2.401075|2.049518|1.892341|1.983640|2.292397|2.616406|5.567530|2.262868|2.829689|2.777332|0.066218|0.068078|0.057001|0.061182|0.062596|0.088656|0.084440|0.074836|0.056193|0.058799|0.042141|0.047936|0.046937|0.040948|0.045226|0.046127|0.113864|0.200166|0.214382|0.173540|0.500000| |2.198910|2.274039|2.752997|3.746540|2.733675|0.074512|2.287254|2.185358|1.887845|1.729801|1.778447|2.018254|2.860194|1.602081|2.743665|1.478049|3.289883|5.504091|5.657426|5.484501|8.824234|17.520676|8.807935|5.491899|4.839227|2.596368|4.399618|2.450155|2.086333|1.938736|2.054877|2.397835|2.722047|5.871594|2.308011|2.865614|2.843234|0.063913|0.062854|0.054314|0.059812|0.058914|0.080670|0.082690|0.065357|0.050351|0.056362|0.040859|0.046334|0.045770|0.037925|0.041564|0.041955|0.111704|0.139673|0.211582|0.214432|0.303337|0.500000| |1.848896|1.934914|2.283443|3.211597|2.480713|0.069342|2.138774|2.054562|1.802226|1.663915|1.707309|1.915332|2.766765|1.548443|2.660343|1.436493|3.001243|5.263587|4.862875|4.814813|5.480966|8.807393|17.509520|8.800094|5.481955|2.216608|3.669864|2.181645|1.897158|1.811756|1.955204|2.268100|2.465417|5.192235|2.177630|2.682919|2.723802|0.052280|0.053187|0.046479|0.050883|0.051691|0.067405|0.065468|0.060907|0.048235|0.053462|0.039701|0.045357|0.043471|0.037016|0.039852|0.041262|0.094174|0.126733|0.122991|0.139047|0.214820|0.211584|0.500000| |1.961573|2.101528|2.528396|3.674044|2.820104|0.080881|2.349773|2.188022|1.896804|1.767957|1.850458|2.114842|3.000640|1.703079|2.801504|1.490763|3.375340|5.619497|5.781401|5.644449|6.781172|8.856997|17.497665|8.855942|6.786787|2.586568|4.233072|2.597179|2.212479|2.117712|2.334174|2.798132|3.061392|6.729751|2.496435|3.035136|3.116069|0.055584|0.055550|0.049051|0.055836|0.055778|0.073105|0.073028|0.063891|0.049946|0.060115|0.043396|0.050281|0.048168|0.038360|0.041250|0.042490|0.117860|0.131345|0.139214|0.199408|0.173845|0.214610|0.302961|0.500000| |2.072949|2.197943|2.628607|3.731837|3.066893|0.084520|2.655647|2.589953|2.228100|2.012429|2.041838|2.308003|3.239627|1.780095|3.170623|1.713192|4.010731|7.550803|6.234213|6.759958|5.662721|6.796496|8.855931|17.483622|8.843327|2.456082|3.943570|2.400065|2.071270|1.955982|2.088645|2.419443|2.677148|5.612848|2.341036|2.897475|2.901238|0.057180|0.060786|0.051746|0.056486|0.059908|0.080513|0.072550|0.078356|0.059632|0.063136|0.045151|0.052454|0.049356|0.043603|0.047255|0.049964|0.110748|0.200166|0.126851|0.131160|0.200384|0.139470|0.214619|0.173810|0.500000| |1.879333|2.025964|2.400338|3.531160|2.902560|0.083731|2.503792|2.366912|2.062303|1.912886|1.983264|2.247321|3.199139|1.791601|3.030366|1.617394|3.584113|6.406296|5.612629|5.476502|4.834521|5.492052|8.809682|17.520147|8.817401|2.405051|3.841705|2.448320|2.124011|2.054237|2.257070|2.651278|2.836348|5.958855|2.448019|2.982938|3.070444|0.051887|0.054038|0.047356|0.053085|0.055363|0.071124|0.066342|0.069237|0.054494|0.062949|0.045601|0.053522|0.049582|0.041496|0.044193|0.046871|0.107021|0.139678|0.106564|0.126690|0.139505|0.123129|0.211381|0.214594|0.303400|0.500000| |2.286817|2.573246|3.211970|5.055194|4.238997|0.128445|3.315204|2.941174|2.457003|2.284278|2.448874|2.922086|3.884506|2.208979|3.516721|1.829388|5.378842|8.434876|9.710796|8.888032|6.814754|5.669854|6.765320|8.816208|17.513926|3.442554|5.253820|3.579139|2.916417|2.760838|3.095265|3.911255|4.472248|10.537163|3.140346|3.767646|3.856954|0.063052|0.064613|0.056613|0.067661|0.069568|0.093301|0.088616|0.084607|0.062892|0.083994|0.054995|0.066721|0.062137|0.046461|0.050070|0.052275|0.198344|0.174719|0.140007|0.201028|0.131290|0.126834|0.138902|0.199296|0.173316|0.213595|0.500000| |2.347317|2.624930|3.235184|4.975217|4.518303|0.130676|3.711172|3.415177|2.818308|2.553765|2.671598|3.160115|4.149345|2.290396|3.896715|2.042832|6.353084|11.526819|9.538139|8.866953|5.511094|4.847566|5.486406|8.805888|17.556331|3.189773|4.843783|3.217637|2.695879|2.530302|2.736614|3.269926|3.706071|7.918876|2.944275|3.596951|3.605296|0.063328|0.067929|0.058188|0.067296|0.072840|0.098452|0.085723|0.100541|0.072578|0.087271|0.056794|0.069125|0.063154|0.051350|0.055580|0.059480|0.163595|0.216831|0.123846|0.139877|0.127111|0.106707|0.123026|0.139277|0.214727|0.211334|0.302663|0.500000| |3.118121|4.085493|4.111218|7.171071|4.533146|0.136748|4.284004|3.378946|3.065104|3.283918|4.124666|4.986779|7.132045|4.762954|5.032111|2.392469|3.372197|5.110711|4.369415|2.597819|2.433330|2.042951|1.957193|2.039287|2.427402|7.232797|11.783208|8.996801|17.760332|8.921389|5.620438|4.946025|5.565142|7.584257|9.808468|14.065948|8.815242|0.082447|0.077457|0.082140|0.131357|0.113775|0.095866|0.105861|0.083373|0.073287|0.173725|0.112079|0.128845|0.174527|0.061503|0.066239|0.062297|0.099854|0.066637|0.068183|0.071846|0.053536|0.054107|0.048902|0.055998|0.053447|0.053956|0.071715|0.067903|0.500000| |1.947129|2.294459|2.493166|4.157621|3.102192|0.102673|2.823078|2.347961|2.160277|2.282197|2.724598|3.123885|4.917572|3.317346|3.656260|1.797108|2.696207|4.226967|3.723090|2.402554|2.266304|1.990287|2.038124|2.135275|2.488102|3.549655|5.647275|4.925536|5.623353|8.889271|17.760509|9.002080|5.558767|7.596010|9.766896|8.783089|14.030351|0.052944|0.051357|0.051116|0.066862|0.063785|0.064100|0.067248|0.060375|0.053542|0.104929|0.085041|0.104820|0.098392|0.047276|0.048246|0.048698|0.085914|0.059960|0.059804|0.069141|0.050921|0.052836|0.051224|0.060663|0.054173|0.059219|0.078066|0.069511|0.124045|0.500000| 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