Version2.0 2019-11-13T17:52:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1cccc2c1[nH]cc2[C@H](CC(=O)N(CC[NH+](C)C)Cc3ccccc3)c4ccc(c(c4)Cl)Cl C35556359 RHF 6-31G(d) (6D,7F) CCc1cccc2c1[nH]cc2[C@H](CC(=O)N(CC[NH+](C)C)Cc3ccccc3)c4ccc(c(c4)Cl)Cl C01[X(C30H34Cl2N3O1)] 204 C1 616 CCc1cccc2c1[nH]cc2[C@@H](c1ccc(c(c1)Cl)Cl)CC(=O)N(Cc1ccccc1)CC[NH+](C)C CCc1cccc2c1[nH]cc2[C@@H](c1ccc(c(c1)Cl)Cl)CC(=O)N(Cc1ccccc1)CC[NH](C)C CCc1cccc2c(c[nH]c12)[C@H](CC(=O)N(CC[NH](C)C)Cc3ccccc3)c4ccc(Cl)c(Cl)c4 InChIKey=BVBZOBPWHAAGDW-RUZDIDTESA-N InChI=1S/C30H34Cl2N3O/c1-4-22-11-8-12-24-26(19-33-30(22)24)25(23-13-14-27(31)28(32)17-23)18-29(36)35(16-15-34(2)3)20-21-9-6-5-7-10-21/h5-14,17,19,25,33-34H,4,15-16,18,20H2,1-3H3/t25-/m1/s1 InChI=1/C30H34Cl2N3O/c1-4-22-11-8-12-24-26(19-33-30(22)24)25(23-13-14-27(31)28(32)17-23)18-29(36)35(16-15-34(2)3)20-21-9-6-5-7-10-21/h5-14,17,19,25,33-34H,4,15-16,18,20H2,1-3H3/t25-/m1/s1 CCc1cccc2c1[nH]cc2[C@H](CC(=O)N(CC[NH+](C)C)Cc3ccccc3)c4ccc(c(c4)Cl)Cl C01[X(C30H34Cl2N3O1)] 204 C01 616 CCc1cccc2c1[nH]cc2[C@@H](c1ccc(c(c1)Cl)Cl)CC(=O)N(Cc1ccccc1)CC[NH+](C)C CCc1cccc2c1[nH]cc2[C@@H](c1ccc(c(c1)Cl)Cl)CC(=O)N(Cc1ccccc1)CC[NH](C)C CCc1cccc2c(c[nH]c12)[C@H](CC(=O)N(CC[NH](C)C)Cc3ccccc3)c4ccc(Cl)c(Cl)c4 InChIKey=BVBZOBPWHAAGDW-RUZDIDTESA-N InChI=1S/C30H34Cl2N3O/c1-4-22-11-8-12-24-26(19-33-30(22)24)25(23-13-14-27(31)28(32)17-23)18-29(36)35(16-15-34(2)3)20-21-9-6-5-7-10-21/h5-14,17,19,25,33-34H,4,15-16,18,20H2,1-3H3/t25-/m1/s1 InChI=1/C30H34Cl2N3O/c1-4-22-11-8-12-24-26(19-33-30(22)24)25(23-13-14-27(31)28(32)17-23)18-29(36)35(16-15-34(2)3)20-21-9-6-5-7-10-21/h5-14,17,19,25,33-34H,4,15-16,18,20H2,1-3H3/t25-/m1/s1 4155.5725393500 -2312.8236163 1-A 23683.7095 138 478 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.89335 -104.88692 -20.62980 -15.86943 -15.70396 -15.68840 -11.45411 -11.45083 -11.44790 -11.44662 -11.41917 -11.37846 -11.37372 -11.36458 -11.35080 -11.34909 -11.34214 -11.33957 -11.32753 -11.32499 -11.32450 -11.32391 -11.32174 -11.31810 -11.31719 -11.31706 -11.31442 -11.31264 -11.31249 -11.31204 -11.31135 -11.31015 -11.30993 -11.30903 -11.30902 -11.28861 -10.62663 -10.62018 -8.09605 -8.09258 -8.09257 -8.08961 -8.08609 -8.08607 -1.50575 -1.50095 -1.38843 -1.37010 -1.28295 -1.24006 -1.23013 -1.21781 -1.19817 -1.19728 -1.17563 -1.17234 -1.15255 -1.13243 -1.10982 -1.09765 -1.09461 -1.08677 -1.07783 -1.06846 -1.05837 -1.04845 -1.02577 -0.97722 -0.95296 -0.91699 -0.91608 -0.91098 -0.90589 -0.90105 -0.89237 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 21346.4693 24092.4758 41084.8439 0.99918 -0.04033 0.00174 0.04031 0.99914 0.00951 -0.00212 -0.00943 0.99995 1 0.00406 0.00360 0.00211 0.08455 0.07491 0.04393 14.30 18.37 30.85 37.10 40.53 50.94 53.51 55.63 66.75 69.24 84.97 100.12 107.36 152.97 174.99 193.07 209.64 217.51 238.67 273.78 289.77 300.33 319.44 327.12 332.11 335.31 349.62 374.96 408.15 414.25 437.25 457.30 482.25 507.98 531.63 542.96 574.18 615.24 632.90 635.76 656.51 673.45 685.55 699.55 720.48 725.20 744.84 765.43 776.96 819.35 822.24 883.46 889.79 933.24 942.50 968.30 978.30 981.77 999.65 1017.38 1063.29 1072.40 1111.63 1126.64 1142.26 1188.88 1203.99 1216.98 1221.03 1229.26 1281.62 1286.13 1305.37 1328.96 1346.31 1356.30 1386.31 1386.83 1417.26 1428.91 1456.31 1463.79 1469.58 1475.88 1514.07 1527.83 1537.58 1547.13 1556.06 1566.93 1574.48 1581.96 1595.74 1603.53 1625.97 1633.70 1637.59 1639.70 1644.88 1649.53 1695.91 1696.75 1707.64 1711.81 1725.32 1734.57 1761.90 1767.50 1810.40 1820.38 1832.16 1834.06 1853.69 1876.10 1880.87 1900.45 1914.91 1934.22 1944.40 1947.03 1963.82 1967.59 1979.45 1985.93 2013.38 2028.17 2034.51 2068.67 2073.17 2108.00 2121.59 2129.61 2147.03 2151.63 2170.46 2190.54 2202.28 2251.87 2252.04 2259.13 2265.28 2276.32 2277.51 2287.14 2291.36 2299.72 2327.51 2335.25 2336.48 2338.22 2354.40 2356.34 2360.72 2364.40 2367.37 2377.99 2381.40 2382.31 2383.13 2392.80 2403.99 2407.26 2506.96 2527.41 2564.93 2569.64 2593.13 2605.43 2608.65 2818.99 4601.91 4620.04 4632.47 4654.65 4671.24 4674.55 4677.78 4694.03 4703.13 4714.46 4726.93 4734.13 4755.79 4781.39 4801.42 4804.12 4825.69 4826.11 4828.97 4839.81 4841.95 4846.10 4847.41 4849.56 4853.49 4868.52 4869.27 4872.90 4874.15 4885.91 4904.36 4980.02 5309.60 5640.87 0.631730 0.664468 0.665412 0.560871 -2312.191886 -2312.159148 -2312.158204 -2312.262746 3.506356D-04 MUNgauss RevisionA1.9 retrievium 13-Nov-2019 DUDE CCc1cccc2c1[nH]cc2[C@H](CC(=O)N(CC[NH+](C)C)Cc3ccccc3)c4ccc(c(c4)Cl)Cl C35556359 RHF 6-31G(d) (6D,10F) C1 522.207876 |X|Y|Z| 100.995435 110.084657 36.942093 74.333288 26 6 7 24 2 |36.858105| |12.411586|36.858105| |7.490162|12.591092|36.858105| |5.515352|7.525724|13.820234|36.858105| |4.085442|4.969892|7.817932|13.559547|36.858105| |3.712875|4.371325|6.694669|7.876527|13.849884|36.858105| |4.164743|4.947112|7.733269|6.872528|7.968150|13.584553|36.858105| |5.746237|7.477005|13.591249|8.079957|6.946135|7.892563|13.611332|36.858105| |5.293659|6.178065|7.593409|5.173675|4.655524|5.367567|8.546299|13.904506|53.358707| |5.858059|6.514939|6.654441|4.548267|3.940122|4.275201|5.972425|9.020088|26.118306|0.500000| |3.904637|4.314690|5.283118|4.193997|4.179384|5.259298|8.523451|8.529402|18.935279|0.252189|36.858105| |3.523132|3.950615|5.226900|4.545337|5.006075|7.263067|13.141706|8.302114|11.595943|0.166296|14.091123|36.858105| |2.769776|3.023242|3.780893|3.556996|4.101919|5.796071|7.259410|5.073173|6.971416|0.114412|7.335087|12.566980|36.858105| |2.698517|2.885393|3.622227|3.539984|4.232928|6.053399|6.714231|4.652369|6.060899|0.101674|5.778122|9.017637|17.581588|0.500000| |2.487406|2.797674|3.472436|3.397152|4.000305|5.473259|6.004990|4.372801|5.739497|0.097269|5.335441|7.651703|12.315958|0.248350|36.858105| |2.129653|2.344110|2.833190|2.874144|3.425971|4.412799|4.353124|3.352966|4.353012|0.076685|3.821913|4.990051|7.411767|0.202254|12.525684|36.858105| |2.014059|2.165226|2.577391|2.604908|3.067728|3.870937|3.842205|3.027684|3.994409|0.071282|3.521165|4.467359|6.746761|0.206078|8.014862|15.933410|73.516695| |1.968112|2.186752|2.610460|2.710115|3.227384|3.929669|3.697270|2.966374|3.787816|0.067936|3.165168|3.925970|5.001193|0.136863|7.700049|13.818906|15.080349|53.358707| |2.016227|2.293136|2.733314|2.855329|3.361719|3.956767|3.703127|3.049348|3.845576|0.069270|3.114656|3.764507|4.355161|0.114043|6.644160|7.674888|9.486132|17.998960|36.858105| |2.143551|2.469140|2.998987|3.290196|4.038472|4.580566|3.928480|3.227467|3.879771|0.069724|3.015433|3.665334|3.959910|0.108037|5.418984|5.744645|7.792130|10.638477|12.396524|36.858105| |2.151426|2.530164|3.009620|3.315608|3.869885|4.058691|3.567770|3.116075|3.738049|0.068340|2.798955|3.245072|3.288145|0.087752|4.214954|4.104010|5.891431|6.833613|7.480791|12.619523|53.358707| |1.959067|2.277966|2.641145|2.844031|3.220111|3.381588|3.081399|2.742803|3.381849|0.062625|2.550971|2.897069|2.980241|0.079031|3.810938|3.807501|5.539863|6.501260|7.263902|9.270760|25.698897|0.500000| |2.446880|2.985113|3.578724|3.842354|4.288292|4.459033|4.112117|3.704538|4.409194|0.080266|3.223359|3.663266|3.498345|0.090044|4.403907|3.868798|5.560566|5.873453|6.001015|7.611405|17.312487|0.259113|36.858105| |2.099752|2.452056|2.879468|3.303509|3.849822|3.750139|3.180045|2.851469|3.369001|0.062393|2.460342|2.808907|2.791535|0.076666|3.342239|3.311526|5.006399|5.288332|4.961842|7.687079|17.346403|0.260115|7.748925|36.858105| |1.727873|1.887534|2.202730|2.301416|2.698331|3.143537|2.934878|2.440877|3.141639|0.057473|2.579981|3.078096|3.796681|0.108071|4.965985|7.751183|12.392037|17.651557|7.676487|5.767769|5.577055|0.113124|3.425249|3.425142|36.858105| |1.568620|1.708478|1.951348|2.007488|2.281956|2.598418|2.502308|2.149585|2.826893|0.052491|2.313487|2.659902|3.199943|0.088037|4.063133|5.542337|9.192582|10.410683|6.128180|4.482210|4.850090|0.103768|3.060148|2.986550|12.575711|36.858105| |1.453102|1.583532|1.787456|1.850962|2.081964|2.305678|2.202281|1.931588|2.530209|0.047462|2.027896|2.288712|2.643462|0.072755|3.253890|4.066909|6.744436|7.323290|5.084554|4.065198|4.682972|0.103977|2.892813|2.965432|7.545346|13.736407|36.858105| |1.341228|1.454992|1.618869|1.659672|1.833202|2.008901|1.950545|1.742702|2.312135|0.043819|1.846203|2.039713|2.321053|0.063225|2.779747|3.303859|5.582528|5.495065|3.947017|3.239820|3.948540|0.088485|2.531507|2.538933|5.005656|7.894211|13.712102|36.858105| |1.323176|1.428754|1.581301|1.599943|1.751550|1.933077|1.913615|1.717557|2.313453|0.043995|1.865890|2.040205|2.339787|0.063053|2.768556|3.247377|5.587533|5.119218|3.589175|2.894468|3.543707|0.078238|2.357556|2.263985|4.428072|6.834585|7.941434|13.785216|36.858105| |1.408220|1.518009|1.690809|1.697114|1.864891|2.095299|2.100190|1.864905|2.533249|0.047903|2.081015|2.289915|2.699992|0.072245|3.218086|3.867307|6.765757|5.900409|3.904289|3.032468|3.612147|0.078098|2.444123|2.271769|5.019091|7.908979|6.891718|7.947021|13.710095|36.858105| |1.538240|1.664381|1.883918|1.901489|2.126389|2.435835|2.421661|2.099849|2.825647|0.052733|2.349509|2.656767|3.244014|0.087425|4.019094|5.272373|9.196388|8.340910|4.979965|3.669725|4.143234|0.088032|2.761016|2.559456|7.553910|13.670402|7.955011|6.874272|7.927913|13.786325|36.858105| |2.472973|2.618543|3.084168|2.849199|3.125884|4.004699|4.864844|3.965513|5.938159|0.103804|6.302184|7.491277|12.511506|0.251050|7.447062|5.798845|10.659302|5.626441|3.578364|3.148421|3.675787|0.070240|2.849616|2.324931|3.375759|3.011849|2.487938|2.243280|2.328389|2.741978|3.224213|36.858105| |2.282226|2.343644|2.705612|2.538594|2.778336|3.445051|3.963423|3.339969|4.912497|0.088867|4.781444|5.382451|7.540068|0.207793|5.197348|4.770348|9.783361|4.835777|3.019074|2.719119|3.184026|0.061207|2.410996|2.069610|3.095574|2.775047|2.311066|2.098447|2.184871|2.565540|2.982468|13.718538|36.858105| |2.049187|2.079146|2.326281|2.174439|2.326235|2.771524|3.144363|2.790703|4.177147|0.078416|3.889610|4.037488|5.009118|0.134831|3.952443|3.751129|7.585374|4.052460|2.585698|2.320667|2.778051|0.054202|2.101588|1.820676|2.693381|2.513928|2.126940|1.975706|2.092706|2.459865|2.768530|7.907022|13.798011|36.858105| |1.972125|2.017253|2.220484|2.052475|2.159961|2.536355|2.908334|2.652211|4.064432|0.077665|3.766795|3.722249|4.407376|0.111538|3.709050|3.437019|6.618124|3.826533|2.509346|2.219223|2.704811|0.053339|2.070203|1.758961|2.535486|2.442342|2.085235|1.970517|2.119904|2.500883|2.745665|6.804096|7.926906|13.745833|36.858105| |2.090331|2.183544|2.414389|2.204928|2.309850|2.734506|3.212165|2.933337|4.590315|0.087055|4.391705|4.246272|4.986566|0.116987|4.317147|3.768724|6.874120|4.184023|2.803473|2.433672|2.985800|0.058979|2.327355|1.906659|2.682648|2.599820|2.212628|2.089519|2.251551|2.665971|2.933139|7.879707|6.897055|7.975246|13.750247|36.858105| |2.341305|2.498215|2.850054|2.590150|2.753909|3.380197|4.109795|3.598076|5.634561|0.102189|5.837037|5.928184|7.499769|0.156321|6.140490|4.815826|8.400458|5.069614|3.385453|2.908450|3.510491|0.068381|2.772387|2.199837|3.081853|2.893151|2.422862|2.236516|2.367379|2.801883|3.192121|13.737788|8.004586|6.924920|7.938544|13.744404|36.858105| |1.919689|2.015610|2.168409|1.975111|2.029173|2.329268|2.696013|2.560564|4.015986|0.078777|3.598038|3.355141|3.653185|0.087337|3.445429|3.052982|5.389125|3.606705|2.518732|2.187728|2.766656|0.055538|2.176982|1.769735|2.352594|2.361173|2.064286|1.999868|2.183464|2.546932|2.681390|4.772941|4.237168|4.754580|6.972584|10.981473|7.098235|448.794386| |1.722945|1.741751|1.872736|1.741509|1.810353|2.064991|2.313153|2.168642|3.291160|0.064598|2.881674|2.800395|3.147585|0.082243|2.792145|2.671144|5.113926|3.120669|2.081921|1.863083|2.309839|0.046004|1.757079|1.523658|2.137170|2.108959|1.843956|1.779106|1.931026|2.244430|2.377031|4.205346|4.782451|7.082152|11.007430|6.976142|4.749114|47.521049|448.794386| |17.553741|8.726424|6.771677|4.903267|3.891481|3.746570|4.410040|6.115709|8.413560|0.198403|4.482975|3.880796|2.998241|0.080853|2.609144|2.214878|3.754799|2.740352|2.035369|2.129765|2.861498|0.053355|2.376976|2.022637|1.763310|1.600775|1.471518|1.358969|1.348782|1.445884|1.582484|2.713918|2.515232|2.256647|2.164449|2.286330|2.558779|16.669518|15.083144|0.500000| |17.571166|8.778355|6.778119|5.731707|4.268253|3.742723|3.979626|5.123635|6.092002|0.129417|3.501822|3.306530|2.662695|0.073729|2.395571|2.087303|3.532920|2.635542|1.970921|2.121109|2.880341|0.053327|2.363083|2.098490|1.713467|1.545512|1.434613|1.319669|1.295836|1.375409|1.505918|2.360329|2.210903|1.978533|1.880824|1.969163|2.199689|14.402721|13.231522|0.302392|0.500000| |17.560938|8.784457|5.477681|4.352617|3.366760|3.085275|3.411632|4.463806|5.914127|0.137542|3.345784|2.999011|2.428669|0.065488|2.212373|1.916696|3.233348|2.432165|1.836853|1.940186|2.675821|0.050252|2.228572|1.926251|1.583713|1.452920|1.354812|1.259484|1.245096|1.319598|1.429484|2.215975|2.059216|1.880451|1.829059|1.935461|2.133418|14.519053|13.025302|0.301467|0.301235|0.500000| |8.826239|17.514508|8.898595|5.730486|4.212649|3.930724|4.636122|6.941912|9.042261|0.212791|4.520719|3.933098|3.005010|0.077749|2.802688|2.321086|3.793967|2.946874|2.287209|2.414773|3.395754|0.063097|2.995141|2.373149|1.862521|1.705200|1.580713|1.461674|1.443875|1.536426|1.675142|2.652436|2.343921|2.099871|2.072099|2.275241|2.597400|17.145321|14.385568|0.208436|0.172908|0.213600|0.500000| |8.859135|17.565019|8.948163|7.213916|4.719576|3.943341|4.164137|5.611746|6.348005|0.133682|3.535118|3.353676|2.677646|0.071651|2.549661|2.180992|3.575631|2.822917|2.199284|2.404223|3.425902|0.063013|2.963609|2.496196|1.807220|1.641145|1.536784|1.414272|1.380754|1.454422|1.587469|2.327818|2.099703|1.876678|1.824658|1.967346|2.230522|14.735431|12.786619|0.172731|0.211912|0.212958|0.304962|0.500000| |5.334426|6.989881|8.986191|17.702542|8.891683|5.636144|4.950972|5.701109|5.636588|0.106412|3.424793|3.617740|2.966264|0.082513|2.878043|2.511480|4.087219|3.287029|2.557359|2.962298|4.165953|0.073796|3.486259|3.167621|2.095773|1.847060|1.726004|1.557063|1.495800|1.571850|1.744705|2.454452|2.224868|1.939854|1.840528|1.962862|2.261734|14.319902|12.743587|0.124615|0.161704|0.121859|0.146078|0.218995|0.500000| |3.493648|4.075989|5.612562|8.883745|17.698816|8.946296|5.648399|4.989854|5.018614|0.089622|3.411845|4.029709|3.546454|0.103941|3.559896|3.221438|5.182006|4.261437|3.260535|4.066116|5.321094|0.089975|4.088848|4.138300|2.686583|2.258169|2.085015|1.827225|1.726909|1.820637|2.073089|2.777463|2.522881|2.137372|1.980738|2.095332|2.457247|14.880865|13.498013|0.091649|0.103752|0.082499|0.097399|0.112603|0.216350|0.500000| |3.096343|3.506595|4.858355|5.611043|8.933665|17.685281|8.809894|5.607906|5.906705|0.099034|4.555869|6.435288|6.141585|0.194481|6.079153|5.265804|8.185768|6.313474|4.450339|5.236531|5.799801|0.098314|4.344552|3.911083|3.669158|2.910524|2.544332|2.175777|2.077417|2.262103|2.681528|4.146969|3.626473|2.873222|2.585924|2.754051|3.401103|18.587407|16.834955|0.087436|0.087443|0.073393|0.089503|0.089860|0.124046|0.215254|0.500000| |3.450379|3.676379|4.177412|3.415442|3.385571|4.088593|5.792380|5.886656|12.249133|0.214272|17.814742|8.684503|6.305400|0.139154|4.717136|3.524513|5.913738|3.983798|2.853461|2.694186|3.417670|0.064789|2.851565|2.209552|2.432269|2.228209|1.953939|1.801135|1.844381|2.069836|2.309174|6.576031|5.038640|4.305741|4.360520|5.257616|6.815598|34.305807|26.347762|0.110777|0.085825|0.084975|0.109379|0.085494|0.080450|0.079593|0.102984|0.500000| |2.368824|2.673737|3.213183|3.069587|3.452253|4.425048|5.026269|4.000492|5.523221|0.095863|5.148926|6.470850|8.746339|0.175410|17.548018|8.962497|11.380977|9.126812|6.376127|4.843320|5.477762|0.104893|4.339652|3.139569|4.562723|4.054515|3.271118|2.865170|2.917989|3.434814|4.199827|7.087125|4.827669|3.898185|3.884844|4.814043|7.041013|31.870797|23.472260|0.069012|0.062543|0.059307|0.076162|0.067863|0.073386|0.085740|0.128788|0.133581|0.500000| |2.674863|3.100870|3.982889|3.993674|4.866892|6.904991|7.139070|4.974966|6.096023|0.101858|5.282804|7.647984|8.880063|0.203177|17.643476|8.885397|10.738560|9.814375|7.368517|6.749945|7.081324|0.124002|5.650954|3.990797|4.663383|3.778058|3.148181|2.676236|2.603752|2.927243|3.573396|5.541896|4.177500|3.297837|3.119830|3.580016|4.810202|24.118338|19.586193|0.076634|0.071656|0.065543|0.085570|0.078989|0.092274|0.118151|0.209911|0.123353|0.305836|0.500000| |1.822831|2.057129|2.393296|2.493241|2.863349|3.245925|3.068154|2.619681|3.351579|0.061488|2.682394|3.124983|3.551922|0.093757|4.967969|5.790837|7.956083|12.605984|17.574034|8.823944|9.159717|0.210720|5.211751|4.684544|7.548531|7.131879|6.418037|4.829697|4.195667|4.376710|5.439821|3.081482|2.667349|2.349643|2.309569|2.562772|2.993663|18.981420|15.731860|0.050947|0.049527|0.046622|0.057259|0.055306|0.063237|0.078242|0.099332|0.069599|0.139836|0.145402|0.500000| |2.128251|2.450149|2.918749|2.967291|3.407940|4.052348|4.000067|3.322317|4.263527|0.076435|3.490945|4.175891|4.734124|0.116815|7.617610|7.186868|8.868077|12.428965|17.660995|8.757787|9.373549|0.186308|6.657327|4.519311|5.725123|5.068852|4.269588|3.552351|3.377939|3.734014|4.584501|3.890725|3.154718|2.703942|2.676918|3.084263|3.814032|22.486152|17.635871|0.059891|0.057030|0.053861|0.068946|0.064738|0.073070|0.089020|0.120952|0.088922|0.229395|0.239124|0.305319|0.500000| |2.395339|2.778610|3.502488|3.933548|5.146451|6.131993|4.875513|3.808720|4.414866|0.077795|3.419646|4.327201|4.581879|0.127390|6.140846|6.068606|8.232647|9.644459|8.730421|17.655981|12.430480|0.182278|7.290037|6.825738|5.103940|3.896324|3.453625|2.820400|2.584490|2.753721|3.327464|3.442928|2.951970|2.463845|2.321101|2.536727|3.083128|17.948005|15.450879|0.066169|0.066161|0.059345|0.074389|0.074482|0.095661|0.142566|0.205338|0.082609|0.141486|0.233201|0.172677|0.205002|0.500000| |1.973005|2.233071|2.669054|2.961301|3.624205|3.982438|3.375746|2.821188|3.410857|0.062044|2.637725|3.159177|3.445658|0.097163|4.439423|5.061646|7.338153|9.539408|8.832296|17.637420|12.374132|0.214994|5.617377|7.527788|6.135698|4.628516|4.358162|3.375679|2.923582|2.999419|3.620303|2.822621|2.516602|2.171216|2.061186|2.218362|2.592848|16.036224|14.081752|0.054363|0.054803|0.049875|0.060211|0.060868|0.075619|0.105330|0.128728|0.066249|0.110392|0.142628|0.215616|0.173207|0.302096|0.500000| |2.795729|3.497366|4.406337|4.901838|5.628951|5.722545|5.050115|4.496860|5.061770|0.090403|3.607016|4.179827|3.811230|0.098877|4.621195|3.911713|5.670794|5.643324|5.305195|6.973742|12.316988|0.181100|17.641587|7.034152|3.270827|2.847199|2.648226|2.313939|2.172956|2.277641|2.590999|3.001125|2.534349|2.178872|2.120627|2.370869|2.853827|17.499678|14.338239|0.074900|0.075233|0.069500|0.095559|0.096140|0.119774|0.144633|0.147598|0.085989|0.120943|0.172532|0.123240|0.159980|0.220962|0.146567|0.500000| |2.357385|2.884111|3.322929|3.550845|3.769577|3.735509|3.503423|3.317755|4.005814|0.074731|2.863024|3.134477|2.956677|0.076589|3.555845|3.183559|4.731655|4.784239|4.639558|5.566525|12.304490|0.223354|17.650747|7.202784|2.931623|2.699062|2.618202|2.344756|2.185638|2.230695|2.459719|2.488809|2.139644|1.896751|1.882945|2.106963|2.457188|16.131589|13.034746|0.062855|0.063108|0.060494|0.081047|0.081379|0.092730|0.101357|0.099488|0.071429|0.099162|0.119949|0.119963|0.140208|0.146485|0.126571|0.298556|0.500000| |2.405724|2.913448|3.460920|3.537748|3.879510|4.249082|4.181956|3.746765|4.638753|0.084145|3.491273|3.942093|3.820112|0.094898|5.024237|4.233569|5.951439|6.349146|6.691431|6.960525|12.239172|0.222951|17.683263|5.617316|3.580453|3.269319|3.032867|2.675036|2.535085|2.667117|3.017148|3.139472|2.592569|2.261752|2.258382|2.592127|3.130480|19.608464|15.249691|0.065910|0.063711|0.061028|0.083020|0.078683|0.087835|0.099852|0.115233|0.086718|0.145975|0.177288|0.159230|0.239741|0.181345|0.141217|0.299203|0.300248|0.500000| |1.905580|2.179052|2.528182|2.874504|3.351050|3.312377|2.825059|2.522720|3.025281|0.056315|2.235715|2.550278|2.596918|0.072326|3.093423|3.203861|4.930355|5.246650|4.757064|7.068487|12.286875|0.224880|5.621437|17.654909|3.583500|3.124463|3.185532|2.693693|2.349506|2.323042|2.614414|2.196672|1.984721|1.756347|1.691017|1.815389|2.072250|13.518806|11.839759|0.051291|0.053203|0.048791|0.058533|0.061399|0.077029|0.101298|0.098552|0.056390|0.080586|0.099226|0.130619|0.114901|0.165998|0.229675|0.143031|0.146417|0.125934|0.500000| |2.054376|2.412318|2.761613|3.132549|3.478832|3.306903|2.892579|2.684031|3.202742|0.060130|2.304892|2.565531|2.505995|0.068133|2.940002|2.860023|4.386286|4.458858|4.116794|5.589540|12.288215|0.222928|7.205205|17.650339|2.928602|2.646480|2.665375|2.346676|2.110085|2.099229|2.316182|2.127048|1.898019|1.689149|1.646801|1.788760|2.043661|13.527131|11.558268|0.054507|0.056781|0.052888|0.065345|0.069249|0.085325|0.102556|0.092759|0.057929|0.078518|0.095878|0.111283|0.109079|0.141607|0.149107|0.175874|0.223218|0.146243|0.299249|0.500000| |2.299074|2.699755|3.243592|3.888967|4.716852|4.396167|3.540589|3.151479|3.615470|0.066475|2.605985|3.008377|2.932526|0.081703|3.421225|3.333167|5.082295|5.117208|4.540582|7.051661|12.337991|0.181524|7.023389|17.646383|3.276158|2.789995|2.708073|2.321909|2.099259|2.135329|2.421545|2.397419|2.141048|1.866090|1.784967|1.924277|2.231788|14.172437|12.354243|0.061119|0.064491|0.057971|0.071198|0.076645|0.103750|0.147559|0.126832|0.064081|0.086978|0.115383|0.113800|0.116346|0.204735|0.189753|0.210502|0.175064|0.142963|0.298891|0.299111|0.500000| |1.696205|1.856375|2.164536|2.304018|2.722215|3.091965|2.801062|2.350490|2.977536|0.054690|2.391882|2.835703|3.354326|0.096740|4.241719|5.918178|9.510947|12.416630|7.068425|6.245916|5.976901|0.121176|3.479715|3.804774|17.547539|8.898899|7.326584|4.778628|3.984337|4.189228|5.590828|2.938214|2.720676|2.381117|2.239321|2.355437|2.684600|16.801894|15.378620|0.047671|0.047039|0.043231|0.050528|0.049854|0.058882|0.077031|0.100652|0.062126|0.107366|0.117261|0.201236|0.142315|0.148163|0.210517|0.092090|0.083348|0.097409|0.115247|0.088611|0.100177|0.500000| |1.712600|1.846390|2.152708|2.242258|2.631771|3.089169|2.894827|2.397207|3.101182|0.056749|2.569032|3.075515|3.888987|0.114986|4.772121|7.683114|14.986730|12.610631|5.683270|4.689449|4.712003|0.093767|2.999653|3.003650|17.690880|8.863887|5.858584|4.288326|3.977445|4.626948|6.796319|3.527678|3.356412|2.905875|2.668888|2.752692|3.129464|18.950676|18.008897|0.048867|0.047382|0.043537|0.050380|0.048861|0.056656|0.072760|0.101272|0.067616|0.118614|0.120195|0.148646|0.128790|0.124033|0.137793|0.081722|0.072111|0.086525|0.086787|0.072130|0.081958|0.303676|0.500000| |1.451777|1.585396|1.792533|1.880412|2.127862|2.325914|2.179767|1.914302|2.476117|0.046450|1.960001|2.218378|2.520207|0.070124|3.077286|3.786553|6.233967|6.892566|4.997609|4.318396|4.999808|0.111657|2.974125|3.251650|6.987826|8.907057|17.679536|8.922793|5.652097|4.958982|5.645226|2.327013|2.167381|1.981668|1.927289|2.036771|2.240814|15.221151|13.702542|0.040599|0.040010|0.037583|0.043707|0.043014|0.049004|0.059998|0.071585|0.051995|0.084191|0.085004|0.175069|0.113173|0.100048|0.136114|0.075517|0.075123|0.084325|0.100323|0.080410|0.081515|0.225304|0.151186|0.500000| |1.270890|1.377330|1.521812|1.565514|1.718574|1.857224|1.795771|1.621083|2.145345|0.040881|1.694039|1.856600|2.075283|0.056689|2.446692|2.833301|4.792950|4.636036|3.432326|2.951123|3.711068|0.083888|2.375412|2.443317|4.085739|5.629885|8.906478|17.719434|8.921039|5.646128|4.952881|2.000269|1.879908|1.777910|1.774794|1.875321|1.996280|14.542510|12.999785|0.035620|0.034794|0.033280|0.038410|0.037403|0.041114|0.047866|0.055493|0.045875|0.069754|0.066429|0.115501|0.086541|0.071525|0.086325|0.060196|0.062127|0.068820|0.072724|0.063528|0.061702|0.113737|0.099246|0.215708|0.500000| |1.243945|1.338420|1.467414|1.479003|1.603102|1.753617|1.745305|1.585587|2.147447|0.041140|1.721546|1.857445|2.099453|0.056472|2.433419|2.770550|4.798733|4.244775|3.031809|2.518059|3.159323|0.069750|2.133472|2.046883|3.542963|4.932596|5.644852|8.922857|17.724577|8.899364|5.643199|2.110623|1.993803|1.936305|1.980158|2.095797|2.168875|16.635150|14.750016|0.035202|0.033803|0.032676|0.037676|0.036005|0.038601|0.043891|0.051849|0.047560|0.071545|0.063920|0.096629|0.080887|0.063139|0.070414|0.054745|0.055697|0.063544|0.058812|0.053682|0.052831|0.090667|0.090560|0.124248|0.214855|0.500000| |1.376500|1.475605|1.631548|1.621701|1.764719|1.981696|2.015506|1.805849|2.485189|0.047266|2.051335|2.224555|2.614799|0.069451|3.031546|3.519880|6.278937|5.077555|3.379859|2.682468|3.245221|0.069546|2.249348|2.056525|4.095199|5.635088|4.962171|5.650992|8.903296|17.722549|8.939914|2.739224|2.586378|2.541314|2.635593|2.801741|2.861822|21.902504|19.320566|0.039430|0.037227|0.035940|0.041669|0.039144|0.041727|0.047569|0.058858|0.057445|0.091160|0.075795|0.101738|0.092698|0.069013|0.072864|0.058708|0.057416|0.068469|0.057850|0.053257|0.054154|0.096292|0.109114|0.107635|0.124136|0.214685|0.500000| |1.615181|1.740243|1.979154|1.979347|2.216292|2.584196|2.610916|2.240691|3.045359|0.056529|2.585258|2.945044|3.736747|0.100179|4.589377|6.203147|11.478059|8.647775|4.831591|3.581813|4.001455|0.083011|2.735034|2.471264|7.017948|8.896859|5.651997|4.952205|5.642067|8.933902|17.708698|3.832397|3.547621|3.276532|3.232136|3.447466|3.769200|24.449566|21.888579|0.046524|0.043832|0.041539|0.048687|0.045709|0.050032|0.059387|0.079236|0.071086|0.133587|0.107811|0.135500|0.127917|0.093406|0.096065|0.072588|0.067152|0.083609|0.069110|0.062044|0.066066|0.140859|0.194900|0.124057|0.107516|0.124151|0.215856|0.500000| |2.293516|2.332887|2.718579|2.600850|2.896452|3.603614|3.993891|3.307290|4.682731|0.084434|4.365909|5.117381|6.998673|0.230811|4.868892|4.706701|10.063321|4.800552|2.954471|2.731740|3.164727|0.060365|2.362117|2.087936|3.126948|2.730909|2.282889|2.051895|2.106722|2.444359|2.861783|8.908945|17.736932|8.978258|5.655314|4.966267|5.670889|27.456503|31.784924|0.069999|0.062694|0.057144|0.063706|0.058286|0.063380|0.073764|0.107952|0.121298|0.119062|0.112463|0.072297|0.083606|0.083449|0.071238|0.069623|0.058176|0.069279|0.055935|0.052853|0.060602|0.077348|0.096275|0.060150|0.051264|0.053276|0.067555|0.093221|0.500000| |1.919263|1.922268|2.130175|2.010496|2.146898|2.513412|2.784690|2.501210|3.686808|0.070085|3.299496|3.418155|4.088056|0.115272|3.333715|3.274118|6.710233|3.637775|2.323782|2.115923|2.543268|0.049725|1.905643|1.689952|2.485904|2.327681|1.991971|1.859271|1.965230|2.287088|2.546068|5.633957|8.926273|17.752159|8.964038|5.673401|4.981658|31.489696|54.545656|0.058565|0.051932|0.049179|0.053561|0.048511|0.050320|0.055422|0.072670|0.099470|0.090159|0.079422|0.059285|0.066474|0.062216|0.055756|0.054866|0.048124|0.056316|0.045594|0.043637|0.048187|0.061753|0.075306|0.051805|0.046753|0.050807|0.065706|0.082552|0.216418|0.500000| 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