Version2.0 2020-01-08T08:33:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(ccc1C(=O)N2CCC[C@H](C2)O)N3CCC(CC3)[NH2+]CC4(CCCCCC4)N5CCOCC5 C20780158 RHF 6-31G(d) (6D,7F) c1cc(ccc1C(=O)N2CCC[C@H](C2)O)N3CCC(CC3)[NH2+]CC4(CCCCCC4)N5CCOCC5 C01[X(C29H47N4O3)] 243 C1 634 O[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)N1CCC(CC1)[NH2+]CC1(CCCCCC1)N1CCOCC1 O[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)N1CCC(CC1)[NH2+]CC1(CCCCCC1)N1CCOCC1 O[C@@H]1CCCN(C1)C(=O)c2ccc(cc2)N3CCC(CC3)[NH2+]CC4(CCCCCC4)N5CCOCC5 InChIKey=KVHSSFNXHYXWTL-HHHXNRCGSA-O InChI=1S/C29H46N4O3/c34-27-6-5-15-32(22-27)28(35)24-7-9-26(10-8-24)31-16-11-25(12-17-31)30-23-29(13-3-1-2-4-14-29)33-18-20-36-21-19-33/h7-10,25,27,30,34H,1-6,11-23H2/p+1/t27-/m1/s1 InChI=1/C29H46N4O3/c34-27-6-5-15-32(22-27)28(35)24-7-9-26(10-8-24)31-16-11-25(12-17-31)30-23-29(13-3-1-2-4-14-29)33-18-20-36-21-19-33/h7-10,25,27,30,34H,1-6,11-23H2/p+1/t27-/m1/s1/fC29H47N4O3/h30H/q+1 c1cc(ccc1C(=O)N2CCC[C@H](C2)O)N3CCC(CC3)[NH2+]CC4(CCCCCC4)N5CCOCC5 C01[X(C29H47N4O3)] 243 C01 634 O[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)N1CCC(CC1)[NH2+]CC1(CCCCCC1)N1CCOCC1 O[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)N1CC[C@H](CC1)[NH2]CC1(CCCCCC1)N1CCOCC1 O[C@@H]1CCCN(C1)C(=O)c2ccc(cc2)N3CC[C@H](CC3)[NH2]CC4(CCCCCC4)N5CCOCC5 InChIKey=PPIDRDMXBNPFIZ-HHHXNRCGSA-N InChI=1S/C29H47N4O3/c34-27-6-5-15-32(22-27)28(35)24-7-9-26(10-8-24)31-16-11-25(12-17-31)30-23-29(13-3-1-2-4-14-29)33-18-20-36-21-19-33/h7-10,25,27,34H,1-6,11-23,30H2/t27-/m1/s1 InChI=1/C29H47N4O3/c34-27-6-5-15-32(22-27)28(35)24-7-9-26(10-8-24)31-16-11-25(12-17-31)30-23-29(13-3-1-2-4-14-29)33-18-20-36-21-19-33/h7-10,25,27,34H,1-6,11-23,30H2/t27-/m1/s1 3891.1121596426 -1567.7095437 1-A 38125.0072 136 498 634 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0.4490 0.3421 0.7603 0.6410 0.2466 0.2596 0.7485 0.0428 0.3765 0.2208 0.7892 0.5253 0.8562 0.6067 0.4695 0.8571 0.3708 0.5050 0.7413 0.8325 0.3080 0.5914 0.6375 0.5435 0.4355 0.4625 0.4872 0.0879 0.4288 0.5100 0.4222 0.8106 0.6392 0.2240 0.3276 0.3418 0.6038 0.4610 298.150 1.00000 1 2 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 70 71 72 73 74 75 76 77 78 79 80 81 82 83 6 6 6 6 6 6 6 8 7 6 6 6 6 1 6 8 7 6 6 6 6 6 7 1 1 6 6 6 6 6 6 6 6 7 6 6 8 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 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 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 7677.6839 62939.7831 65896.7426 0.99998 -0.00612 -0.00062 0.00611 0.99986 -0.01576 0.00072 0.01576 0.99988 1 0.01128 0.00138 0.00131 0.23506 0.02867 0.02739 13.66 18.19 27.82 54.16 57.77 66.90 82.30 90.17 96.64 107.01 120.67 151.25 166.51 187.57 202.09 206.38 255.41 271.43 301.95 329.35 334.66 343.72 363.87 375.90 392.85 396.05 412.68 421.92 440.42 466.81 492.66 515.48 525.87 539.95 552.76 563.67 566.70 591.72 601.78 622.12 651.14 665.71 668.68 672.78 687.63 710.07 728.70 740.02 759.55 763.49 776.00 790.45 816.26 842.66 860.56 893.78 937.73 999.92 1029.31 1040.29 1107.87 1142.02 1164.09 1175.54 1192.91 1214.39 1251.85 1253.51 1267.93 1281.42 1302.07 1340.37 1342.81 1357.36 1361.01 1364.24 1371.56 1371.90 1393.83 1398.51 1425.17 1443.61 1448.30 1458.29 1471.73 1478.74 1499.95 1509.63 1520.64 1535.88 1548.86 1562.67 1577.97 1581.33 1590.87 1597.54 1604.22 1622.61 1625.34 1635.00 1647.68 1649.64 1663.46 1675.21 1710.70 1726.17 1727.00 1730.11 1747.58 1750.21 1756.72 1763.89 1769.55 1807.02 1810.63 1822.84 1823.67 1834.83 1847.50 1858.96 1863.80 1877.40 1885.10 1893.60 1909.68 1922.54 1952.63 1954.37 1959.06 1964.07 1968.05 2000.10 2000.24 2018.85 2022.87 2031.00 2047.22 2053.23 2060.37 2068.64 2084.23 2087.58 2095.79 2110.56 2112.34 2119.05 2131.62 2138.48 2143.68 2153.49 2169.91 2174.43 2187.39 2187.70 2189.03 2206.97 2210.51 2212.41 2216.33 2219.50 2223.83 2231.32 2232.87 2241.63 2250.77 2252.97 2258.85 2271.40 2275.90 2286.19 2288.51 2298.74 2335.95 2348.03 2355.42 2357.44 2358.41 2363.80 2365.77 2366.00 2369.52 2372.47 2376.78 2377.86 2386.45 2389.92 2395.16 2396.76 2400.02 2405.46 2411.58 2437.01 2540.45 2618.12 2654.25 2779.30 4507.72 4516.92 4541.61 4550.36 4560.52 4575.56 4585.31 4586.04 4594.47 4597.56 4599.24 4614.89 4615.31 4617.15 4617.59 4621.63 4622.04 4625.43 4639.61 4658.20 4671.27 4671.89 4678.61 4685.06 4689.03 4691.89 4700.14 4702.58 4707.38 4710.28 4719.92 4747.61 4752.60 4757.90 4768.55 4770.38 4775.52 4804.26 4815.34 4854.10 4856.28 4872.94 4881.74 4903.06 5099.39 5353.53 5912.33 0.807790 0.839559 0.840503 0.741285 -1566.901753 -1566.869985 -1566.869040 -1566.968258 3.327788D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2020 DUDE c1cc(ccc1C(=O)N2CCC[C@H](C2)O)N3CCC(CC3)[NH2+]CC4(CCCCCC4)N5CCOCC5 C20780158 RHF 6-31G(d) (6D,10F) C1 499.364817 |X|Y|Z| 182.814545 56.349354 39.095259 73.848429 34 6 7 8 29 4 1 |36.858105| |13.819716|36.858105| |7.913614|13.678361|36.858105| |6.888091|7.956902|13.735627|36.858105| |7.974453|6.902221|7.916424|13.721154|36.858105| |13.688765|7.916499|6.812592|7.901003|13.762305|36.858105| |7.665197|5.061104|4.431589|5.000114|7.500158|12.643869|36.858105| |6.707328|4.568481|3.862508|4.097435|5.452119|8.169527|15.871634|73.516695| |5.226188|3.942402|3.697566|4.330448|6.278297|7.702992|13.926874|15.012970|53.358707| |3.916362|3.102732|2.907192|3.280538|4.305681|5.010243|7.892457|12.556287|17.717736|36.858105| |3.138039|2.630290|2.565266|2.946921|3.730356|3.930784|5.207114|8.242275|10.592717|12.481549|36.858105| |2.976565|2.555133|2.534960|2.928300|3.626702|3.682921|4.476468|6.788525|8.976270|7.527397|12.456163|36.858105| |3.493971|3.003807|3.043666|3.644583|4.654648|4.511398|5.141046|7.190840|10.558375|6.521303|7.598056|12.533183|36.858105| |3.477135|3.046216|3.187285|3.975095|5.124698|4.587765|4.987069|6.970823|9.545654|5.744160|6.844470|8.897713|17.482802|0.500000| |4.654643|3.746235|3.632214|4.285684|5.859653|6.357817|7.684805|9.613132|17.770391|7.808622|6.587496|7.614352|12.468910|0.246973|36.858105| |3.054199|2.729308|2.796154|3.266328|3.878573|3.706519|3.936709|5.749998|7.040707|4.560378|5.121852|8.055147|13.579272|0.257490|7.921727|73.516695| |5.160659|7.880899|13.356033|7.705106|5.103065|4.512455|3.329004|5.365492|3.950058|2.389045|2.162612|2.156621|2.535434|0.073654|2.899490|4.263990|53.358707| |3.958737|5.196403|7.771256|6.553430|4.460917|3.754833|2.913207|4.725339|3.560320|2.196237|2.039309|2.033505|2.370871|0.070298|2.607541|3.999534|17.918462|36.858105| |3.175567|4.030310|5.101680|4.321067|3.307322|2.951738|2.403644|4.003030|2.964487|1.880389|1.756236|1.749478|1.994883|0.058448|2.168765|3.406057|10.674039|12.455156|36.858105| |2.931572|3.693811|4.450152|3.737445|2.949847|2.693511|2.220880|3.692313|2.772317|1.766321|1.652239|1.668421|1.903506|0.054996|2.070421|3.313078|9.048026|7.599466|12.477373|36.858105| |3.374360|4.432676|5.109501|3.974332|3.155725|2.973080|2.415027|4.009210|2.977468|1.879613|1.731258|1.752105|2.009138|0.057196|2.236639|3.502508|10.604246|6.553390|7.553296|12.486131|36.858105| |4.358636|6.137733|7.846273|5.551505|4.129290|3.804975|2.936996|4.742712|3.585244|2.196819|2.003196|2.037979|2.394292|0.068254|2.723860|4.150296|17.854147|7.913070|6.583503|7.611773|12.451981|36.858105| |2.455388|2.981734|3.374410|2.915838|2.415865|2.258024|1.917966|3.242336|2.406688|1.562529|1.467851|1.476197|1.655917|0.047603|1.785695|2.888969|6.144464|4.979994|7.720768|12.655068|7.629039|4.959871|53.358707| |2.496667|3.043512|3.351309|2.844383|2.381058|2.261532|1.926075|3.289972|2.393552|1.559282|1.455030|1.451937|1.618807|0.046399|1.757390|2.804439|6.032797|4.697489|7.132596|9.240516|7.093564|4.694429|25.718455|0.500000| |2.271909|2.706858|3.082036|2.747349|2.293345|2.124884|1.821823|3.084100|2.300580|1.502351|1.421998|1.427943|1.595064|0.046118|1.701977|2.780089|5.435080|4.666805|7.252425|9.097155|5.628912|4.157050|25.468322|0.327458|0.500000| |2.181888|2.586536|2.845714|2.505255|2.130735|2.014984|1.739648|2.943992|2.208167|1.445275|1.363798|1.382476|1.543799|0.044016|1.656185|2.727142|4.896423|3.756077|4.932476|7.409107|6.107736|4.179754|17.314712|0.256530|0.263943|36.858105| |1.880464|2.175849|2.361003|2.128904|1.848519|1.755375|1.542512|2.631935|1.969266|1.304939|1.239270|1.252000|1.382629|0.039459|1.468727|2.440951|3.900282|3.046803|3.903339|4.946296|4.142485|3.150921|10.458484|0.188340|0.219492|12.321974|36.858105| |1.695164|1.928883|2.067629|1.889865|1.667408|1.592149|1.415241|2.414624|1.823523|1.216005|1.160166|1.179049|1.296871|0.036821|1.370043|2.309950|3.316325|2.536870|3.053771|3.778403|3.401486|2.715296|6.752878|0.124981|0.137330|7.522046|12.330787|36.858105| |1.671722|1.893652|1.990145|1.805540|1.609301|1.557109|1.390689|2.380543|1.790654|1.197060|1.137338|1.157289|1.269526|0.035768|1.348346|2.267898|3.148124|2.327024|2.717850|3.353034|3.257744|2.621992|5.651877|0.109698|0.108270|6.038809|7.173939|12.407855|36.858105| |1.637730|1.849055|1.909407|1.719705|1.545084|1.512517|1.357914|2.345386|1.738100|1.167383|1.103749|1.115613|1.216160|0.034177|1.297865|2.159299|2.993356|2.184916|2.546954|3.038254|3.024147|2.449619|5.121207|0.106046|0.097631|4.955035|5.834902|7.270704|12.432644|36.858105| |1.824046|2.086532|2.134143|1.883999|1.683282|1.659301|1.478565|2.562946|1.872408|1.251945|1.173809|1.180189|1.289198|0.036205|1.389558|2.273352|3.385808|2.429164|2.870091|3.442092|3.535135|2.775549|5.906202|0.129998|0.107703|5.481932|5.800730|5.717657|7.428756|12.448246|36.858105| |1.918513|2.218444|2.296044|2.015951|1.781978|1.744375|1.543659|2.679631|1.942441|1.295046|1.213264|1.212415|1.326089|0.037496|1.429496|2.319717|3.714065|2.726827|3.370519|3.971194|3.859252|2.957102|7.423902|0.177404|0.136853|6.331730|7.120838|5.638563|5.752819|7.291843|12.343439|36.858105| |1.842473|2.124473|2.255729|2.016137|1.769248|1.703328|1.505988|2.598509|1.908168|1.271656|1.201306|1.203251|1.318604|0.037545|1.407565|2.310253|3.678161|2.823620|3.600413|4.233618|3.739729|2.887460|8.614064|0.189674|0.176633|7.525679|12.280613|7.470930|5.992912|6.311798|7.161013|12.359722|36.858105| |1.831614|2.105931|2.328257|2.143679|1.854692|1.736148|1.527409|2.598918|1.958968|1.299273|1.242777|1.254427|1.385383|0.039864|1.458002|2.440533|3.831472|3.142781|4.084603|4.823142|3.738787|2.982828|9.548663|0.164216|0.254588|7.871231|12.755819|7.562314|4.829742|4.094068|4.031454|4.906937|7.704309|53.358707| |1.645546|1.862452|2.032581|1.894712|1.666322|1.568490|1.397628|2.395310|1.797144|1.203255|1.155192|1.160795|1.270147|0.036564|1.329259|2.231503|3.253311|2.657220|3.330468|3.631423|2.961841|2.465945|6.545644|0.124639|0.165132|5.038636|7.524749|5.861350|4.073087|3.695051|3.553963|4.325339|6.651806|17.618930|36.858105| |1.614720|1.814095|2.000571|1.899221|1.672410|1.558625|1.392693|2.383259|1.797844|1.205843|1.164865|1.168487|1.277025|0.037015|1.326026|2.237133|3.167895|2.659960|3.282027|3.367797|2.708441|2.337954|5.609165|0.106425|0.144151|3.972286|4.973432|4.117611|3.117487|2.858057|2.803347|3.326499|4.516750|10.595872|12.514471|36.858105| |1.590371|1.778374|1.980185|1.907714|1.679342|1.550908|1.386655|2.356481|1.805021|1.209284|1.175911|1.187546|1.302085|0.037839|1.341785|2.295434|3.116417|2.636675|3.160333|3.280194|2.634626|2.318639|5.177176|0.094719|0.129827|3.749108|4.427038|3.907603|2.971896|2.631917|2.539221|2.887631|3.741254|9.122584|7.889938|13.654982|73.516695| |1.741398|1.967469|2.226149|2.140659|1.856262|1.698293|1.502127|2.531994|1.955640|1.298787|1.261308|1.280825|1.417846|0.041257|1.464255|2.508797|3.567444|3.064801|3.719434|4.004397|3.092146|2.696512|6.219760|0.107461|0.158748|4.502765|4.989214|4.295577|3.218538|2.756063|2.682601|3.023763|3.880157|10.589280|6.804679|8.232489|24.348146|36.858105| |1.780970|2.030410|2.272674|2.137170|1.850070|1.712332|1.509228|2.546994|1.956569|1.296538|1.250257|1.272451|1.410791|0.040704|1.470731|2.506048|3.694707|3.064555|3.791490|4.482989|3.493430|2.905033|7.581057|0.125939|0.188034|6.308278|7.579088|6.444642|4.317241|3.478613|3.309817|3.699073|4.969315|17.626163|8.038855|6.837051|14.115868|12.515358|36.858105| |17.747322|8.938463|5.636029|4.962883|5.671549|8.937093|7.183190|12.946719|6.678774|3.899434|3.048275|2.850587|3.223800|0.087050|4.277870|5.039278|5.702158|3.318833|2.794318|2.623986|3.028826|3.722557|3.074115|0.064401|0.058068|2.035072|1.771835|1.608958|1.601788|1.584568|1.768718|1.847064|1.754573|2.331702|1.550869|1.514735|2.640233|1.612774|1.656849|0.500000| |8.939760|17.721103|8.921071|5.658977|4.967959|5.636573|4.128762|6.990449|4.512355|2.724204|2.329300|2.264925|2.601278|0.072564|3.172029|4.278476|9.936492|4.816424|4.045851|3.821534|4.814116|6.246366|4.285495|0.091324|0.078008|2.737561|2.288524|2.020236|2.004357|1.980520|2.274778|2.418454|2.266481|2.960576|1.919510|1.844569|3.181008|1.971820|2.064173|0.215324|0.500000| |4.961466|5.641534|8.878568|17.734235|8.955508|5.646360|4.084511|6.096576|5.117999|2.956411|2.762796|2.786989|3.459077|0.107652|3.816070|5.637345|9.505701|7.213815|4.579049|3.885288|3.896860|5.235541|4.083651|0.079686|0.079891|2.564550|2.187092|1.937724|1.826343|1.721028|1.865927|2.005080|2.042336|3.052724|1.977133|2.006845|3.626981|2.311472|2.270744|0.107724|0.124049|0.500000| |5.658552|4.968234|5.646249|8.940147|17.727263|8.926457|6.902339|8.942251|9.219755|4.655558|4.255384|4.159289|5.526457|0.184885|6.392806|7.795299|5.637760|3.879288|2.961868|2.651680|2.763355|3.481581|3.004451|0.060053|0.058970|1.965267|1.726971|1.569177|1.509128|1.444524|1.557896|1.645438|1.647541|2.380581|1.583638|1.603538|2.883584|1.786370|1.761301|0.124487|0.107801|0.217463|0.500000| |3.866875|3.059734|2.839094|3.159836|4.085366|4.816795|7.630881|14.457271|12.513032|17.686513|8.819077|5.494817|4.905944|0.129265|5.683201|6.515965|3.190060|2.165543|1.865504|1.735836|1.838536|2.127509|2.102478|0.043073|0.041353|1.421851|1.289408|1.197209|1.177013|1.153488|1.240684|1.289540|1.264940|1.749696|1.195771|1.200340|2.129857|1.280514|1.275569|0.108898|0.075236|0.078965|0.120459|0.500000| |3.689947|2.938271|2.702533|2.957021|3.736704|4.434156|6.563289|11.154409|12.357783|17.495060|8.811171|6.713595|5.688739|0.132089|6.999240|7.736200|3.063158|2.049480|1.776389|1.690095|1.814983|2.108250|2.047012|0.041755|0.040024|1.402470|1.267045|1.186878|1.175895|1.149455|1.232308|1.266407|1.236750|1.706558|1.161345|1.157804|2.061973|1.244367|1.249723|0.105719|0.073049|0.073972|0.107980|0.303049|0.500000| |3.096278|2.632232|2.618544|3.069102|3.895377|3.931714|5.011160|7.925117|9.467002|8.902067|17.526256|8.835066|6.779084|0.199884|5.721268|8.265141|3.007745|2.116518|1.813433|1.686206|1.746695|2.017815|2.036101|0.041149|0.040460|1.381002|1.257600|1.172536|1.142680|1.107575|1.177341|1.224025|1.218533|1.727835|1.182200|1.199158|2.154015|1.298494|1.278209|0.081997|0.064376|0.081065|0.128287|0.217422|0.173828|0.500000| |2.738392|2.327902|2.256691|2.535350|3.100294|3.287555|4.237851|7.150632|7.671751|8.890768|17.554434|8.826110|5.524384|0.139863|4.934594|7.511991|2.635832|1.834310|1.603093|1.513971|1.582850|1.806349|1.849141|0.037498|0.036633|1.268306|1.159850|1.089833|1.070731|1.042348|1.106120|1.140919|1.128387|1.582026|1.085894|1.094827|1.962197|1.177835|1.167721|0.075314|0.058261|0.066470|0.095616|0.210877|0.215923|0.303021|0.500000| |2.596666|2.287349|2.305708|2.662550|3.195071|3.145168|3.652415|5.684502|6.714379|5.481626|8.774873|17.569523|8.892350|0.216505|5.535091|12.841185|2.719693|1.914677|1.659813|1.583678|1.645522|1.894025|1.917153|0.038367|0.038049|1.322867|1.204732|1.137932|1.113802|1.071299|1.127438|1.158252|1.155321|1.650798|1.126271|1.138457|2.064886|1.250191|1.235908|0.068849|0.056800|0.072007|0.102463|0.123081|0.137922|0.214264|0.209045|0.500000| |2.838015|2.438155|2.380547|2.678324|3.244539|3.392754|4.108156|6.399764|7.821948|6.730356|8.812136|17.524264|8.966408|0.175022|6.873847|13.354211|2.780660|1.908454|1.658903|1.599302|1.693419|1.959562|1.936027|0.038919|0.038093|1.341908|1.215874|1.150737|1.136210|1.097250|1.159916|1.184526|1.170082|1.648714|1.121018|1.122908|2.026400|1.228075|1.227283|0.077023|0.060817|0.070324|0.099181|0.138280|0.195563|0.173245|0.214533|0.303037|0.500000| |4.265716|3.459381|3.257469|3.640998|4.635047|5.269889|6.371914|8.805912|12.356318|7.066678|5.834555|6.930327|8.923369|0.174628|17.494021|13.013952|3.626698|2.374932|2.015187|1.953979|2.133733|2.567297|2.316097|0.046633|0.044885|1.595241|1.417109|1.330980|1.320395|1.274478|1.363376|1.391285|1.361236|1.900828|1.274647|1.264206|2.270720|1.390546|1.406480|0.114476|0.083813|0.090397|0.132388|0.144222|0.209790|0.133356|0.130862|0.141369|0.205712|0.500000| |5.355737|4.391661|4.361815|5.293408|7.345541|7.464889|7.245513|8.941162|12.376784|5.650788|4.907776|5.533717|8.838536|0.214397|17.649634|12.611879|4.606083|2.986034|2.429266|2.326672|2.538444|3.187666|2.683744|0.053619|0.051898|1.820876|1.596068|1.482796|1.456743|1.394867|1.497342|1.541892|1.519483|2.153307|1.429448|1.422452|2.563413|1.586818|1.599235|0.129095|0.100381|0.127920|0.211341|0.127329|0.143527|0.127398|0.108145|0.123979|0.141228|0.303034|0.500000| |3.143270|2.872106|3.011716|3.565878|4.135604|3.796445|3.809468|5.521749|6.465945|3.998256|4.298047|5.958929|9.792764|0.235002|7.112575|35.765249|3.526419|2.434899|2.054661|2.007178|2.120408|2.540470|2.359570|0.046448|0.046283|1.635804|1.455255|1.375930|1.347167|1.275060|1.340993|1.368641|1.367610|1.983108|1.324449|1.327718|2.431939|1.505342|1.504157|0.079515|0.069947|0.097638|0.129627|0.092203|0.105062|0.113147|0.099698|0.153724|0.153052|0.176121|0.205930|0.500000| |4.025745|5.075666|7.338015|6.814786|4.734713|3.918584|3.052884|4.986504|3.695798|2.285382|2.122141|2.082471|2.409706|0.072346|2.638316|3.988093|12.522040|17.628442|8.901622|5.541817|4.908008|5.712109|5.639763|0.112445|0.112013|3.201592|2.714683|2.280679|2.095643|1.994154|2.209083|2.490096|2.578407|3.863570|2.480037|2.533019|4.435051|2.825047|2.753094|0.093464|0.127307|0.210174|0.115529|0.063345|0.058533|0.061945|0.052953|0.054512|0.053791|0.065977|0.082788|0.066815|0.500000| |3.609472|4.486536|6.572711|6.434792|4.409323|3.578671|2.816780|4.495092|3.542284|2.182132|2.060186|2.087728|2.463753|0.073734|2.656925|4.214894|12.214688|17.428289|8.849160|6.823606|5.741208|7.061789|6.206994|0.114234|0.121733|3.618294|2.953248|2.509878|2.286774|2.107852|2.292482|2.527000|2.658259|4.217649|2.608775|2.642881|4.797767|3.204950|3.154033|0.084311|0.113088|0.224021|0.110471|0.059078|0.056452|0.059536|0.051302|0.055008|0.054220|0.066851|0.085221|0.072307|0.301924|0.500000| |3.215882|4.099562|4.884334|4.010726|3.168476|2.917388|2.393165|4.056815|2.909051|1.858597|1.720439|1.694182|1.910398|0.055666|2.093593|3.233975|9.665464|8.911700|17.535521|8.850035|6.774497|5.765079|9.705738|0.215957|0.183356|4.609274|3.780041|2.937337|2.654813|2.565838|2.966123|3.581729|3.717892|5.244375|3.249624|3.164956|5.233399|3.322726|3.415221|0.079806|0.118549|0.112832|0.078225|0.051718|0.048888|0.049279|0.043822|0.044503|0.044746|0.054304|0.064465|0.053645|0.218419|0.174240|0.500000| |2.774812|3.367903|4.171782|3.799912|2.997515|2.651883|2.208724|3.687890|2.763692|1.772671|1.677107|1.671313|1.893037|0.055855|2.021506|3.239918|7.694422|8.834040|17.530434|8.815523|5.498780|4.925519|9.489069|0.172568|0.214458|4.638390|3.916564|3.052355|2.639705|2.453714|2.697930|3.187693|3.564233|6.005371|3.645522|3.763177|6.488231|4.340339|4.163781|0.068487|0.092481|0.115801|0.076708|0.048937|0.046381|0.048407|0.042686|0.044430|0.043881|0.052073|0.062272|0.054227|0.213037|0.215973|0.300825|0.500000| |2.738739|3.355634|4.092186|3.626891|2.876936|2.582482|2.145958|3.533192|2.724845|1.737017|1.642819|1.677054|1.923677|0.055758|2.065146|3.387879|7.767257|6.761255|8.854206|17.580524|8.843165|6.749041|12.497643|0.181825|0.219925|6.983239|4.795338|3.834046|3.339848|2.915587|3.163284|3.515465|3.856596|6.645485|3.616205|3.410436|6.184635|4.465170|4.995903|0.067933|0.093715|0.108276|0.073092|0.047078|0.046140|0.046607|0.041772|0.044468|0.044611|0.054066|0.064669|0.057487|0.139376|0.198508|0.173877|0.216470|0.500000| |3.427872|4.539694|4.875672|3.705694|3.021147|2.933223|2.401042|4.057186|2.917742|1.855430|1.693664|1.694827|1.921289|0.054454|2.155085|3.317440|9.569725|5.721796|6.768156|8.863822|17.525885|8.902575|9.632818|0.215295|0.146255|5.613433|4.019612|3.270255|3.195379|3.100050|3.792049|4.242792|3.891057|4.832376|2.892212|2.621611|4.422903|2.834178|3.185613|0.087226|0.146036|0.098128|0.073066|0.050866|0.049930|0.047390|0.043210|0.044081|0.045626|0.057406|0.067151|0.055182|0.128230|0.132208|0.198186|0.138747|0.173891|0.500000| |3.014604|3.790201|4.192272|3.422424|2.817441|2.684690|2.228285|3.702559|2.787214|1.774626|1.643213|1.678183|1.917778|0.054136|2.121951|3.391633|7.674773|4.918961|5.494446|8.793248|17.559449|8.856274|9.276978|0.170375|0.141665|6.670068|4.336732|3.714031|3.674943|3.324133|3.847672|3.969789|3.787036|5.086176|2.930153|2.623896|4.583989|3.036483|3.554057|0.076602|0.113993|0.093644|0.069598|0.047951|0.048004|0.045764|0.041915|0.043903|0.045394|0.056911|0.066626|0.057092|0.108119|0.129171|0.138596|0.123200|0.215834|0.300864|0.500000| |3.937731|5.109246|6.667915|5.479845|4.096008|3.640467|2.849373|4.524330|3.580099|2.188843|2.026542|2.098399|2.499247|0.071512|2.796619|4.414612|12.263785|7.084176|5.746985|6.797827|8.816389|17.421201|6.159476|0.113795|0.108933|3.995301|3.042201|2.682807|2.572720|2.349296|2.585897|2.709243|2.706353|3.987405|2.413624|2.309408|4.164983|2.768084|2.964442|0.093409|0.135974|0.152787|0.098629|0.058183|0.058275|0.056717|0.050591|0.054478|0.055958|0.072968|0.092047|0.076355|0.144387|0.210246|0.132675|0.128918|0.196904|0.173838|0.215893|0.500000| |4.849761|6.931745|7.449304|5.182481|4.117577|4.019098|3.100920|5.021917|3.745060|2.286937|2.054256|2.091371|2.453392|0.068677|2.857667|4.257622|12.483884|5.712845|4.927145|5.549120|8.903795|17.645295|5.611017|0.112296|0.096970|3.672086|2.843057|2.512832|2.496868|2.370205|2.702679|2.808183|2.662320|3.595664|2.225860|2.097183|3.682159|2.365963|2.560173|0.117010|0.209246|0.128036|0.095105|0.061282|0.061704|0.056771|0.051494|0.053480|0.056437|0.076100|0.093167|0.071936|0.127977|0.143989|0.129140|0.108291|0.139164|0.218393|0.213486|0.302855|0.500000| |2.171248|2.559263|2.856981|2.556206|2.167605|2.028786|1.749775|2.935024|2.241006|1.462390|1.387396|1.418186|1.592966|0.045453|1.699554|2.838063|4.879808|3.769238|4.713539|7.226583|5.962730|4.289017|12.439200|0.182310|0.213487|17.663167|8.690163|6.958415|5.626212|4.324753|4.466916|4.734973|5.464327|9.443449|4.537902|3.757837|6.696236|4.761361|6.851424|0.055900|0.073995|0.073586|0.055842|0.039721|0.039408|0.039003|0.035763|0.037781|0.038232|0.045445|0.052154|0.047588|0.088042|0.105260|0.116058|0.124797|0.223814|0.140248|0.191403|0.120221|0.103506|0.500000| |2.236034|2.658493|2.851730|2.468261|2.117824|2.034702|1.758640|2.987695|2.222295|1.455116|1.364185|1.382177|1.540958|0.043615|1.667125|2.723451|4.855344|3.526258|4.421628|6.434267|6.414493|4.273751|12.338617|0.230279|0.184523|17.715082|8.691136|6.641586|6.481996|5.619922|6.849073|7.248321|6.955934|7.673738|4.113041|3.308603|5.531757|3.593278|4.711109|0.058466|0.079733|0.068869|0.053873|0.039751|0.039441|0.038164|0.035282|0.036588|0.037453|0.044917|0.050898|0.045252|0.083878|0.092885|0.119287|0.110940|0.160802|0.173537|0.211050|0.110585|0.108434|0.303749|0.500000| |1.564895|1.763393|1.882269|1.736670|1.545142|1.477404|1.323505|2.267023|1.709355|1.146725|1.097598|1.112792|1.216978|0.034587|1.279564|2.164536|2.977326|2.293948|2.736853|3.233828|2.902483|2.383473|5.645542|0.107706|0.119561|5.520943|8.947353|17.546140|8.891873|6.584762|4.997805|5.060126|6.916802|9.547470|6.518008|4.393077|7.252393|4.201231|5.946369|0.041410|0.051120|0.049526|0.040619|0.031442|0.031082|0.030861|0.028732|0.029918|0.030161|0.034531|0.038251|0.035693|0.058252|0.063029|0.073935|0.077297|0.090742|0.078556|0.085871|0.065372|0.061594|0.142267|0.137720|0.500000| |1.686678|1.913299|2.070928|1.913125|1.685420|1.597397|1.419255|2.407135|1.840265|1.225171|1.174317|1.200253|1.324717|0.037658|1.392262|2.373333|3.311161|2.551814|3.020141|3.765661|3.358093|2.734245|6.358708|0.112974|0.130622|6.884744|8.839826|17.575026|8.981188|5.437870|4.487435|4.384780|5.473403|9.559688|5.308433|4.008806|7.232384|4.690031|7.423811|0.044258|0.055092|0.054950|0.044262|0.033374|0.033191|0.032977|0.030600|0.032255|0.032521|0.037535|0.041956|0.039426|0.063359|0.071608|0.078662|0.084561|0.111299|0.086909|0.102994|0.076869|0.069839|0.208662|0.162988|0.305172|0.500000| |1.544856|1.730306|1.814541|1.666001|1.497821|1.449606|1.304548|2.232936|1.690545|1.135446|1.083674|1.105906|1.209148|0.034019|1.276936|2.169746|2.825714|2.091975|2.393092|2.883237|2.807360|2.337117|4.661271|0.090179|0.091283|4.644906|5.408617|9.033273|17.553787|8.898030|5.500346|4.408980|4.629107|5.603839|3.644112|2.873906|4.976195|2.992033|3.907809|0.041222|0.050510|0.046919|0.039264|0.030967|0.031038|0.030214|0.028410|0.029655|0.030217|0.034822|0.038184|0.035766|0.052754|0.057699|0.064619|0.065173|0.081220|0.075932|0.087385|0.064541|0.062223|0.127404|0.133895|0.221470|0.223587|0.500000| 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|1.566173|1.752745|1.792444|1.620288|1.468918|1.446824|1.307297|2.261788|1.678131|1.131289|1.069705|1.083056|1.177008|0.032936|1.255923|2.096253|2.768835|1.997833|2.276393|2.682242|2.735101|2.271053|4.326235|0.089460|0.082371|4.024064|4.433130|5.449082|8.946385|17.558361|8.948523|5.448289|4.660476|4.555597|3.072150|2.469809|4.110260|2.415520|2.968176|0.042350|0.052159|0.044850|0.038213|0.031012|0.031068|0.029719|0.028127|0.028890|0.029701|0.034432|0.037386|0.034313|0.050875|0.053748|0.063641|0.060694|0.072028|0.077850|0.084050|0.060792|0.061973|0.101889|0.127425|0.141219|0.124984|0.226429|0.210681|0.305163|0.500000| |1.757181|1.990778|2.004578|1.772253|1.600797|1.593345|1.430973|2.497284|1.809512|1.216421|1.137904|1.140374|1.238702|0.034677|1.337363|2.179897|3.124130|2.219084|2.570347|2.980763|3.114472|2.525700|4.901428|0.109449|0.090730|4.229968|4.419206|4.384809|5.496962|8.878027|17.569554|8.910625|5.495931|4.540405|3.060741|2.487988|4.006556|2.346003|2.800225|0.047796|0.060598|0.048420|0.041178|0.033573|0.033367|0.031639|0.029883|0.030236|0.031214|0.036589|0.039822|0.035559|0.056775|0.057950|0.074737|0.067090|0.075993|0.094330|0.092635|0.065094|0.069454|0.099546|0.141029|0.112433|0.100226|0.125342|0.146015|0.205468|0.226151|0.500000| |1.963200|2.264383|2.308960|2.016834|1.794464|1.773001|1.569792|2.709615|1.984866|1.319855|1.233164|1.244205|1.366099|0.038250|1.480740|2.415437|3.685919|2.588239|3.023979|3.745483|4.050112|3.116826|6.210464|0.134434|0.108540|5.903117|5.430769|5.328737|7.071338|8.935838|17.514762|8.769023|5.869559|5.208735|3.251316|2.633660|4.336733|2.638010|3.256768|0.052810|0.069074|0.055194|0.045867|0.036199|0.036158|0.034255|0.032191|0.032915|0.034027|0.040449|0.044557|0.039682|0.064478|0.067880|0.085933|0.077299|0.095381|0.120652|0.127806|0.080310|0.085282|0.136320|0.230172|0.123179|0.123225|0.146665|0.221300|0.173859|0.211543|0.306776|0.500000| 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