Version2.1 2021-01-14T13:27:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)CC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@H](C)CCCC(C)(C)O C39632108 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)CC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@H](C)CCCC(C)(C)O C01[X(C26H42N3O3)] 216 C1 564 C[C@@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)Cc1ccc(cc1)C)CCCC(O)(C)C C[C@@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)Cc1ccc(cc1)C)CCCC(O)(C)C C[C@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)Cc3ccc(C)cc3 InChIKey=BACVJXBJUGGKGA-IRLDBZIGSA-O InChI=1S/C26H41N3O3/c1-19-7-9-21(10-8-19)16-23(30)29-17-22(26(18-29)12-14-27-15-13-26)24(31)28-20(2)6-5-11-25(3,4)32/h7-10,20,22,27,32H,5-6,11-18H2,1-4H3,(H,28,31)/p+1/t20-,22+/m1/s1 InChI=1/C26H41N3O3/c1-19-7-9-21(10-8-19)16-23(30)29-17-22(26(18-29)12-14-27-15-13-26)24(31)28-20(2)6-5-11-25(3,4)32/h7-10,20,22,27,32H,5-6,11-18H2,1-4H3,(H,28,31)/p+1/t20-,22+/m1/s1/fC26H42N3O3/h27-28H/q+1 Cc1ccc(cc1)CC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@H](C)CCCC(C)(C)O C01[X(C26H42N3O3)] 216 C01 564 C[C@@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)Cc1ccc(cc1)C)CCCC(O)(C)C C[C@@H](NC(=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)C[C]1[CH][CH][C]([CH][CH]1)C)CCCC(O)(C)C C[C]1[CH][CH][C]([CH][CH]1)CC(=O)N2C[C@@H](C(=O)N[C@H](C)CCCC(C)(C)O)C3(CC[NH2]CC3)C2 InChIKey=TXODZMJATTWGSA-IRLDBZIGSA-N InChI=1S/C26H42N3O3/c1-19-7-9-21(10-8-19)16-23(30)29-17-22(26(18-29)12-14-27-15-13-26)24(31)28-20(2)6-5-11-25(3,4)32/h7-10,20,22,32H,5-6,11-18,27H2,1-4H3,(H,28,31)/t20-,22+/m1/s1 InChI=1/C26H42N3O3/c1-19-7-9-21(10-8-19)16-23(30)29-17-22(26(18-29)12-14-27-15-13-26)24(31)28-20(2)6-5-11-25(3,4)32/h7-10,20,22,32H,5-6,11-18,27H2,1-4H3,(H,28,31)/t20-,22+/m1/s1/f/h28H 3405.8791492970 -1396.8303117 1-A 22462.5813 121 443 564 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71 72 73 74 6 6 6 6 6 6 6 6 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 1 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 6656.9550 34471.6555 37754.0791 1.00000 0.00053 -0.00186 -0.00051 0.99996 0.00870 0.00186 -0.00870 0.99996 1 0.01301 0.00251 0.00229 0.27111 0.05235 0.04780 10.80 31.39 42.14 47.15 54.67 58.43 67.55 76.11 105.77 113.04 126.30 146.41 165.31 178.84 194.63 210.93 223.03 246.33 264.02 271.84 284.62 311.39 325.41 352.53 370.06 376.18 390.33 404.91 411.65 430.32 451.54 489.61 506.37 510.98 533.04 558.53 565.17 582.26 587.24 611.56 636.27 657.59 659.08 687.37 705.56 713.10 723.54 758.38 769.74 797.84 805.83 840.16 856.50 871.01 900.33 970.02 1013.06 1054.86 1117.72 1132.66 1137.97 1188.81 1202.63 1217.87 1234.86 1249.48 1269.90 1289.10 1314.77 1332.68 1347.14 1364.95 1372.63 1381.25 1385.49 1420.52 1432.28 1469.86 1475.85 1482.69 1487.98 1522.46 1538.17 1543.65 1549.10 1555.18 1577.31 1578.89 1595.35 1602.43 1606.90 1608.81 1611.64 1625.57 1642.61 1657.72 1659.96 1688.33 1689.88 1704.87 1725.19 1742.18 1758.43 1801.60 1822.29 1844.90 1846.20 1859.90 1877.64 1889.95 1893.80 1894.94 1911.55 1917.30 1920.49 1927.78 1940.11 1960.68 1963.80 1978.86 2011.83 2022.95 2051.31 2071.71 2085.03 2093.93 2096.88 2102.88 2118.88 2122.80 2136.19 2154.52 2169.93 2178.88 2187.37 2209.10 2213.14 2231.38 2252.22 2254.51 2255.57 2257.61 2258.08 2261.52 2267.01 2271.30 2275.05 2281.94 2321.30 2325.24 2341.27 2345.02 2346.93 2350.47 2353.35 2358.80 2360.63 2360.65 2365.63 2367.36 2369.46 2375.27 2387.67 2391.87 2396.06 2414.71 2431.93 2439.92 2456.32 2555.87 2629.12 2663.59 2765.29 2798.26 4586.08 4595.60 4598.18 4606.76 4609.72 4612.74 4615.86 4626.45 4626.85 4645.38 4651.72 4664.67 4668.86 4672.37 4689.60 4700.33 4701.97 4704.53 4708.41 4709.11 4710.68 4718.47 4725.10 4728.18 4735.31 4737.20 4745.62 4747.02 4757.95 4759.97 4770.34 4776.91 4793.94 4804.59 4810.33 4825.64 4846.36 4863.74 4999.51 5344.61 5565.51 5867.94 0.711345 0.743029 0.743973 0.645135 -1396.118967 -1396.087283 -1396.086338 -1396.185177 3.315076D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE Cc1ccc(cc1)CC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@H](C)CCCC(C)(C)O C39632108 RHF 6-31G(d) (6D,10F) C1 444.322617 |X|Y|Z| 54.619640 33.821279 135.407785 63.007778 18 6 7 16 2 |36.858105| |12.610185|36.858105| |7.535731|13.759972|36.858105| |5.003820|7.894070|13.714367|36.858105| |4.406472|6.773172|7.896384|13.771926|36.858105| |5.015427|7.882755|6.907996|7.995975|13.683269|36.858105| |7.550816|13.660593|8.001294|6.923388|7.910047|13.813750|36.858105| |3.265097|4.405814|5.016338|7.579669|12.603971|7.526028|5.013711|36.858105| |2.876157|3.696187|4.017846|5.373016|7.475839|5.901891|4.233994|12.511358|36.858105| |2.985349|3.801016|3.933031|4.901489|6.654534|6.121716|4.494047|7.932037|15.886297|73.516695| |2.405108|2.957277|3.235024|4.141005|5.068286|4.177303|3.257541|7.756942|13.957447|15.231677|53.358707| |2.193396|2.652303|2.948507|3.746837|4.324823|3.530852|2.843919|6.475500|7.520148|9.409100|17.802129|36.858105| |1.883643|2.210612|2.406470|2.907184|3.252225|2.815839|2.356745|4.322283|5.169090|7.486848|11.049644|12.404663|36.858105| |1.806275|2.106504|2.250234|2.678149|3.046095|2.719448|2.277261|3.992111|4.719059|7.061731|9.295249|8.884020|17.533763|0.500000| |1.888880|2.204527|2.381342|2.834272|3.150857|2.776021|2.349139|3.995555|5.240997|8.210877|11.033406|7.808575|12.199032|0.247021|36.858105| |2.140135|2.548229|2.716621|3.280495|3.841609|3.413382|2.794323|5.010969|7.849959|12.614533|17.926067|7.879729|8.017069|0.197493|12.379925|36.858105| |1.666965|1.904987|2.017584|2.326446|2.563169|2.345981|2.032245|3.094460|3.864623|6.477917|7.000026|5.012030|7.440892|0.201491|12.387871|7.441003|36.858105| |1.616674|1.825560|1.918546|2.169636|2.356731|2.192570|1.935973|2.729083|3.398977|6.022065|5.675709|3.822822|4.837386|0.128835|7.428936|5.918847|12.494150|36.858105| |1.617717|1.818991|1.937610|2.183738|2.309818|2.117807|1.892597|2.631237|3.203879|5.634334|5.243303|3.602818|4.363763|0.108970|6.452126|5.031202|7.694323|12.717729|53.358707| |1.566338|1.743969|1.844475|2.048524|2.151437|1.997783|1.808437|2.395318|2.881459|5.187710|4.526525|3.072056|3.563696|0.091087|4.902641|4.211706|5.685122|9.222540|25.707874|0.500000| |1.526325|1.707940|1.826881|2.054128|2.152042|1.965718|1.765188|2.451674|2.897424|4.995216|4.744452|3.431115|4.254012|0.105982|5.785296|4.308215|6.991813|9.106001|25.357157|0.327366|0.500000| |1.819824|2.074719|2.249992|2.579157|2.704991|2.417310|2.141973|3.103296|3.856924|6.694153|6.379071|4.245477|4.825119|0.112969|7.433408|5.980982|6.505184|7.669160|17.276898|0.255663|0.254499|36.858105| |1.892378|2.193298|2.415966|2.857162|3.029493|2.624382|2.272606|3.672147|4.570660|7.315088|8.439121|6.094850|7.377395|0.152223|12.318844|7.505576|7.565281|6.504108|10.494037|0.158057|0.195968|12.505983|36.858105| |1.718412|1.984172|2.178449|2.585261|2.770672|2.402634|2.067989|3.496768|3.835073|5.747384|7.045588|7.491661|12.474721|0.245564|7.304447|5.029851|5.780259|4.114925|5.441987|0.091713|0.116365|4.301857|6.354919|36.858105| |1.748592|2.015964|2.251682|2.676581|2.781100|2.371256|2.062783|3.440408|3.657879|5.487214|6.422565|6.568359|8.024745|0.163564|6.011259|4.415957|4.691503|3.673040|5.208116|0.089069|0.112738|4.327224|6.414088|15.808136|73.516695| |1.549322|1.764182|1.908044|2.215401|2.372453|2.113078|1.843275|2.905330|3.136860|4.862299|5.437681|5.224604|7.786614|0.209615|5.468022|4.039498|5.222977|3.786433|4.857255|0.083660|0.106403|3.569453|4.696184|14.149717|15.085260|53.358707| |1.419803|1.596064|1.727172|1.973286|2.068233|1.854296|1.647100|2.451965|2.574601|4.065211|4.239632|3.876661|4.963009|0.132715|3.986227|3.122221|3.930881|3.130114|4.184835|0.074156|0.094041|3.042571|3.768441|7.705455|12.040116|17.685269|36.858105| |1.459327|1.642157|1.796302|2.058556|2.126720|1.883875|1.678135|2.512382|2.596086|4.068103|4.239828|3.927388|4.751532|0.120293|3.843466|3.042618|3.603692|2.944627|4.071780|0.072452|0.091379|3.061704|3.838173|7.632443|14.414315|12.737247|17.650790|0.500000| |1.349909|1.508892|1.619742|1.834500|1.927734|1.749127|1.561357|2.262239|2.320507|3.683795|3.707491|3.338316|3.989710|0.113353|3.211397|2.681548|3.191018|2.608111|3.418301|0.062019|0.075003|2.482102|2.969904|5.319495|8.418167|10.584005|12.482773|0.247417|36.858105| |1.314447|1.463215|1.572587|1.771979|1.846986|1.676982|1.506216|2.143295|2.288035|3.706064|3.711719|3.192330|4.062803|0.109376|3.646814|2.848386|3.874664|3.234563|4.398431|0.078662|0.102832|3.043629|3.565487|5.535591|9.101007|10.397340|12.378286|0.247279|7.504221|36.858105| |1.356335|1.511695|1.628548|1.836564|1.909047|1.728568|1.553025|2.209273|2.416819|3.951544|3.963318|3.310207|4.302280|0.110933|4.221508|3.150359|4.627784|3.965484|5.669106|0.099059|0.141668|3.791339|4.373215|5.648394|9.620867|8.935149|7.434070|0.184800|4.878853|12.454083|36.858105| |1.248270|1.375776|1.472950|1.636129|1.686989|1.545678|1.406874|1.908304|2.080727|3.474536|3.310311|2.656766|3.265599|0.085818|3.361498|2.650013|3.768692|3.553129|5.237381|0.096337|0.133266|3.374783|3.569224|3.909846|6.877099|5.873560|4.838708|0.126286|3.723557|7.389793|12.431712|36.858105| |1.256290|1.381280|1.472334|1.627358|1.679411|1.548318|1.413947|1.883226|2.090020|3.552524|3.303782|2.553895|3.105978|0.081416|3.423307|2.724793|3.982466|4.104221|6.378635|0.120801|0.172507|3.813803|3.727219|3.472728|6.090482|4.924315|3.708261|0.098209|2.969859|4.857368|7.381524|12.341754|36.858105| |1.236784|1.359195|1.433748|1.581308|1.653035|1.542151|1.405282|1.855621|2.084951|3.585676|3.293255|2.497878|3.072946|0.083394|3.448823|2.788583|4.343838|4.646970|6.570618|0.126548|0.168750|3.667689|3.515848|3.270155|5.473578|4.729184|3.409035|0.087014|2.830120|4.321586|5.848907|7.503090|12.490169|36.858105| |1.170005|1.273934|1.354565|1.479321|1.511358|1.401971|1.295176|1.665427|1.824833|3.131269|2.814099|2.150637|2.509628|0.066088|2.736168|2.281072|3.064855|3.241924|5.067921|0.101815|0.127515|3.163122|3.007155|2.762877|4.958137|3.871144|2.971709|0.080678|2.492984|3.732165|4.907989|7.535897|12.480294|7.612872|36.858105| |1.370623|1.516524|1.627872|1.811650|1.864802|1.703078|1.548805|2.099003|2.365768|4.020144|3.780822|2.884593|3.508853|0.088660|4.091885|3.166673|4.629502|4.958952|8.858132|0.161711|0.276485|5.188320|4.842517|3.853979|6.933243|5.101525|3.648181|0.099697|2.860409|4.384449|6.755673|7.769391|13.204267|8.082674|7.903440|73.516695| |17.546639|8.843369|5.886264|4.298938|3.955180|4.593343|6.698956|3.024426|2.646216|4.838134|3.047159|2.067253|1.784872|0.047960|1.771857|1.996250|1.576159|1.521646|2.058690|0.040649|0.039801|1.683430|1.757745|1.634630|2.942246|2.023033|1.366396|0.038910|1.310119|1.263184|1.294305|1.191854|1.194770|1.179290|1.113592|2.301458|0.500000| |17.547757|8.843537|5.861685|4.287441|3.952836|4.601278|6.729712|3.019529|2.766982|5.245173|3.160084|2.090413|1.818687|0.048582|1.849626|2.105857|1.646274|1.614201|2.196945|0.043699|0.042111|1.808585|1.853669|1.652708|2.977399|2.034634|1.368973|0.038930|1.298511|1.276680|1.323810|1.224617|1.240633|1.226371|1.158190|2.407915|0.302316|0.500000| |17.582301|8.836087|7.226358|4.735754|3.943352|4.167044|5.565977|3.016233|2.663734|4.843548|3.092365|2.101135|1.813640|0.048003|1.817766|2.027756|1.604747|1.559847|2.146113|0.042472|0.041523|1.778382|1.846456|1.675623|3.060671|2.055570|1.394384|0.040029|1.323829|1.293365|1.335763|1.233109|1.239792|1.213102|1.159758|2.406317|0.301849|0.301768|0.500000| |6.968966|8.926219|17.706343|8.932712|5.638710|4.969424|5.665655|4.100883|3.409671|5.904299|3.905689|2.677889|2.227274|0.057606|2.206881|2.455572|1.885210|1.803838|2.509933|0.048976|0.048633|2.138408|2.280318|2.058730|3.830670|2.464776|1.660042|0.048264|1.556784|1.518531|1.573411|1.431905|1.430165|1.383254|1.325181|2.808887|0.152245|0.151245|0.221278|0.500000| |4.089455|5.637991|8.938292|17.688876|8.919226|5.661587|4.976035|7.022682|5.121290|7.925400|5.745083|3.996970|3.068626|0.076855|2.957094|3.311786|2.393481|2.217045|3.084524|0.058674|0.059714|2.712583|3.061983|2.787452|5.261204|3.204063|2.107033|0.061891|1.942164|1.880041|1.951684|1.729221|1.709838|1.642222|1.552378|3.402047|0.099709|0.099355|0.113020|0.217049|0.500000| |4.098487|5.628959|4.970594|5.669228|8.900827|17.721519|8.962142|6.966408|6.054900|11.645780|5.856276|3.571507|2.889313|0.079276|2.847632|3.579217|2.436139|2.265494|2.917274|0.056094|0.055050|2.408039|2.610769|2.421372|4.164434|2.927110|1.870899|0.052219|1.773447|1.693320|1.740158|1.553881|1.558122|1.568071|1.404894|3.031321|0.108320|0.108657|0.095997|0.107809|0.124222|0.500000| |7.015346|8.900753|5.671068|4.976629|5.640190|8.967038|17.697700|4.092728|3.647457|7.042368|3.940186|2.538728|2.156107|0.058616|2.159958|2.558184|1.905481|1.828966|2.416355|0.047422|0.045998|1.978554|2.074065|1.897693|3.339924|2.332353|1.537329|0.043247|1.466235|1.415111|1.456141|1.327450|1.337591|1.337826|1.229648|2.588640|0.189984|0.191737|0.140533|0.124289|0.107889|0.217275|0.500000| |3.029234|3.962644|4.274038|5.816195|8.869552|6.867645|4.654534|17.494404|9.043127|11.498555|9.172490|6.160867|4.234785|0.114118|3.742119|4.601543|2.991499|2.597887|3.337354|0.062035|0.063982|2.799283|3.305539|3.427061|5.827008|3.980681|2.459809|0.069186|2.318490|2.129464|2.154975|1.856816|1.816752|1.805355|1.604632|3.545575|0.080307|0.077804|0.077151|0.098881|0.149052|0.197781|0.110004|0.500000| |3.035004|3.975970|4.789493|7.339801|8.919369|5.601908|4.201067|17.582959|8.871939|10.594211|9.970296|7.291826|4.602394|0.113358|4.079967|4.733279|3.099665|2.702166|3.622624|0.066773|0.069914|3.178844|3.891497|3.871634|7.012858|4.263853|2.656581|0.077095|2.429886|2.285405|2.347956|2.007600|1.958907|1.901145|1.729297|3.895471|0.078149|0.077255|0.080191|0.114176|0.224941|0.140783|0.096568|0.304886|0.500000| |2.195857|2.657807|2.921849|3.697105|4.363183|3.614195|2.884797|6.648773|6.685776|8.544439|12.251492|17.585870|8.768248|0.225660|5.696604|5.987060|4.199256|3.272461|4.136386|0.073583|0.081231|3.434577|4.551132|6.294968|9.694734|6.675624|3.722466|0.103617|3.383073|3.007241|2.995190|2.430874|2.308261|2.276615|1.966711|4.512089|0.058232|0.057681|0.058104|0.073251|0.107616|0.103146|0.071832|0.200361|0.204180|0.500000| |2.236822|2.704936|3.100495|3.995812|4.350292|3.426736|2.814978|6.231956|6.462829|8.358042|12.271469|17.616760|8.802244|0.175783|6.456322|6.095535|4.328292|3.473931|4.711007|0.082623|0.093124|4.216675|6.133776|7.301354|13.625658|6.711099|3.874405|0.114612|3.290113|3.177263|3.312995|2.666901|2.544984|2.422903|2.164703|5.163093|0.058201|0.058747|0.060313|0.079463|0.124799|0.092807|0.068986|0.154612|0.222717|0.301553|0.500000| |2.219703|2.634164|2.794996|3.324034|3.830891|3.454036|2.874478|4.671062|7.329710|13.829865|12.484558|5.827444|5.695889|0.141511|8.601528|17.641209|6.208385|5.914496|7.229996|0.127915|0.120520|6.706271|7.101111|4.105172|6.770329|4.606890|2.738057|0.074994|2.365572|2.563987|2.878595|2.499049|2.634017|2.690292|2.244254|5.524641|0.056888|0.061389|0.058419|0.070265|0.092317|0.099396|0.073201|0.114950|0.120751|0.129410|0.140120|0.500000| |2.049985|2.417905|2.515386|2.974732|3.539313|3.290694|2.701286|4.504845|6.642426|11.500798|12.342968|6.357036|6.794841|0.198366|8.747575|17.506263|7.185921|5.717002|6.076248|0.106933|0.107482|4.784015|5.506035|4.440544|6.735699|5.199704|2.963233|0.078449|2.613675|2.722669|2.949237|2.510183|2.578883|2.715805|2.167532|5.170158|0.053672|0.056312|0.053530|0.062958|0.081669|0.099259|0.070022|0.122061|0.114392|0.151892|0.135645|0.303659|0.500000| |1.647275|1.880646|1.966286|2.257089|2.528172|2.356464|2.032918|3.055410|3.806499|6.455730|6.723262|4.743584|6.723877|0.214101|8.783881|7.007403|17.564666|8.984282|7.631681|0.127294|0.142698|4.895621|5.499740|5.061457|7.180474|6.614061|3.661992|0.091517|3.118544|3.555078|3.978292|3.312101|3.432187|3.859787|2.721240|6.700690|0.043540|0.045248|0.043758|0.050708|0.063607|0.069188|0.053396|0.084209|0.083234|0.116419|0.109911|0.158121|0.223850|0.500000| |1.556363|1.765044|1.877144|2.151604|2.333199|2.129563|1.864145|2.791185|3.325428|5.498522|5.864914|4.549459|6.955650|0.188195|8.823431|5.481242|17.594932|8.938003|9.401908|0.144626|0.204363|5.645262|6.706368|6.450664|9.084874|8.623862|4.740552|0.116661|3.673219|4.882430|6.137846|4.695974|4.819005|5.266452|3.497789|9.677421|0.041041|0.042539|0.041870|0.049171|0.062079|0.060956|0.048603|0.075564|0.079248|0.108562|0.113318|0.130666|0.146080|0.304205|0.500000| |1.700826|1.924382|2.003323|2.257502|2.478707|2.336483|2.059629|2.840849|3.635800|6.714431|5.881510|3.717715|4.399695|0.118706|6.626751|6.396462|8.747924|17.613991|12.440997|0.224679|0.179679|7.045668|5.740912|3.608889|5.806134|4.468492|2.734418|0.072254|2.340051|2.763759|3.258027|2.960014|3.358162|3.736169|2.784935|7.054998|0.044329|0.047500|0.045310|0.051956|0.063227|0.067570|0.054260|0.074717|0.076417|0.089075|0.093003|0.194417|0.177935|0.214276|0.173668|0.500000| |1.486431|1.660515|1.732649|1.935057|2.090191|1.968618|1.757953|2.384954|2.881942|5.128813|4.663802|3.229516|4.035773|0.111617|5.440467|4.535687|8.782469|17.629262|12.379196|0.223936|0.221345|5.605900|4.886139|3.611843|5.740681|4.769810|2.990207|0.077016|2.530383|3.198001|3.905850|3.659806|4.367733|5.434321|3.444971|8.818684|0.039079|0.041306|0.039892|0.045473|0.054756|0.056650|0.046524|0.063926|0.065585|0.079310|0.082248|0.124752|0.127579|0.212313|0.217663|0.301428|0.500000| |1.940797|2.221149|2.387502|2.726943|2.890411|2.611702|2.311029|3.266112|4.206505|7.674098|6.662690|4.096993|4.385934|0.105893|6.618533|6.461616|5.744894|7.035566|12.425591|0.224437|0.180243|17.631279|8.703083|3.730078|6.571461|4.270365|2.674804|0.074436|2.247365|2.641640|3.159216|2.854912|3.194409|3.169339|2.735357|7.259686|0.049562|0.054026|0.052353|0.062482|0.078305|0.072479|0.059366|0.080894|0.090400|0.093203|0.110851|0.233396|0.143374|0.129336|0.131770|0.213645|0.144365|0.500000| |1.775273|2.003826|2.189080|2.478061|2.530558|2.257297|2.033996|2.830620|3.370576|5.850263|5.334046|3.671564|4.022993|0.095021|5.442316|4.579927|4.885041|5.610540|12.384407|0.223792|0.223651|17.625637|8.807684|3.829021|7.194435|4.390960|2.865445|0.081741|2.344992|2.905429|3.639767|3.352985|3.833783|3.517342|3.294602|9.557161|0.045499|0.049006|0.048667|0.058645|0.073208|0.061648|0.052156|0.070687|0.081683|0.084413|0.105464|0.140727|0.105375|0.107774|0.126854|0.144543|0.126750|0.301745|0.500000| |1.753379|2.009914|2.218986|2.595229|2.702795|2.350115|2.061833|3.232342|3.783518|6.027982|6.703905|5.378246|6.858577|0.143149|8.761004|5.499783|6.693946|5.661460|9.456182|0.145256|0.207477|8.953308|17.628928|7.317403|14.267005|7.307582|4.425763|0.127992|3.312786|4.251587|5.526376|4.297016|4.357879|3.883461|3.410226|10.400774|0.045511|0.047522|0.047859|0.058906|0.078088|0.064710|0.052479|0.082444|0.097145|0.116673|0.157304|0.141462|0.122838|0.137309|0.192721|0.131997|0.127230|0.173398|0.218526|0.500000| |2.079414|2.443483|2.752795|3.330841|3.476501|2.911563|2.504397|4.245958|5.233176|8.091251|9.424432|6.693327|6.667518|0.137102|8.754727|7.090755|5.502967|4.887048|7.635615|0.127208|0.143859|8.979495|17.601756|5.778349|11.249701|5.709854|3.453548|0.100692|2.793510|3.174215|3.716226|3.091270|3.163160|2.954040|2.654687|7.058540|0.053189|0.056202|0.056564|0.072139|0.101509|0.078826|0.062482|0.101931|0.128964|0.134951|0.207091|0.193679|0.141200|0.123183|0.137767|0.128900|0.107686|0.212259|0.212931|0.306013|0.500000| |1.525131|1.734606|1.854355|2.143188|2.329225|2.105928|1.831828|2.853455|3.111309|4.871928|5.364313|4.973170|7.438029|0.239912|5.309110|4.074700|5.424080|3.840032|4.682375|0.081331|0.100611|3.351912|4.250573|9.415177|10.870535|26.048668|8.970219|0.181462|7.183773|6.446402|5.547062|3.921759|3.387081|3.416508|2.681767|6.116801|0.040804|0.040991|0.041061|0.048590|0.062345|0.060324|0.047626|0.081289|0.083475|0.134752|0.123290|0.093656|0.112012|0.150807|0.180326|0.093182|0.100373|0.083716|0.082933|0.127664|0.104962|0.500000| |1.411071|1.584102|1.705681|1.942478|2.044782|1.845382|1.640220|2.417077|2.427855|3.807021|3.853261|3.552019|4.060818|0.115542|3.156799|2.702693|3.025378|2.468980|3.230949|0.058753|0.069704|2.398038|2.898996|5.300734|8.482134|9.582925|8.801822|0.215415|17.576721|5.470654|4.040572|3.159356|2.618591|2.503786|2.231518|4.597630|0.038144|0.037499|0.038408|0.045448|0.057253|0.051907|0.042650|0.069587|0.072745|0.103338|0.097709|0.065860|0.073085|0.082836|0.093607|0.062529|0.065699|0.061008|0.062857|0.088187|0.077495|0.182549|0.500000| |1.272165|1.410951|1.513850|1.697968|1.764774|1.607909|1.450084|2.035574|2.072592|3.323144|3.249973|2.856789|3.307108|0.092468|2.777069|2.353998|2.773951|2.343885|3.123842|0.057416|0.068922|2.263389|2.645865|4.268688|7.185587|7.642652|8.825915|0.211212|17.570545|6.927794|4.506439|3.648454|2.864356|2.687033|2.465241|4.814905|0.034343|0.034009|0.034803|0.040698|0.049995|0.045071|0.037919|0.057634|0.060714|0.079986|0.079565|0.058732|0.063594|0.074874|0.088012|0.058688|0.063751|0.057027|0.060340|0.082215|0.069666|0.143722|0.301333|0.500000| |1.311029|1.462110|1.554759|1.752833|1.859634|1.707693|1.524230|2.177075|2.256899|3.619073|3.595340|3.162100|3.830040|0.114000|3.136872|2.648316|3.232760|2.635848|3.369455|0.061381|0.073496|2.397853|2.819877|4.746758|7.214359|9.504594|8.772697|0.173510|17.523915|6.731233|4.553190|3.584475|2.914266|2.880725|2.440516|4.909575|0.035432|0.035160|0.035565|0.041337|0.050995|0.048533|0.040005|0.062510|0.063874|0.089728|0.084151|0.064759|0.073290|0.090247|0.103574|0.065742|0.072111|0.060827|0.062310|0.085652|0.072823|0.209046|0.300620|0.302096|0.500000| |1.261950|1.400149|1.491292|1.671177|1.755172|1.612162|1.449996|2.028554|2.174752|3.557577|3.500732|2.952031|3.751577|0.105728|3.410820|2.722691|3.789418|3.180756|4.176325|0.075536|0.096372|2.816297|3.214852|4.725021|7.444150|8.988968|8.790864|0.174395|7.088256|17.496704|8.858957|6.583347|4.608075|4.455842|3.578066|7.092870|0.033800|0.034145|0.034374|0.039878|0.048766|0.045564|0.038074|0.056517|0.059261|0.078447|0.079693|0.068075|0.074049|0.100073|0.132692|0.075699|0.089752|0.069043|0.073855|0.102375|0.079246|0.177238|0.142184|0.181300|0.207822|0.500000| |1.253102|1.386021|1.491212|1.667408|1.719458|1.563905|1.416822|1.968029|2.069680|3.368061|3.287940|2.799600|3.387313|0.090657|3.079569|2.486255|3.203777|2.781132|3.860786|0.070521|0.089775|2.706451|3.098556|4.467445|7.842501|7.639639|8.926866|0.221883|6.776894|17.526444|8.804822|6.933012|4.471399|3.841743|3.670821|7.037553|0.033504|0.033774|0.034401|0.040270|0.049276|0.043637|0.037018|0.054233|0.058485|0.073979|0.078841|0.063160|0.065920|0.082262|0.107342|0.067235|0.076689|0.065850|0.073398|0.101734|0.078570|0.134746|0.140702|0.204228|0.162305|0.303981|0.500000| |1.427860|1.597674|1.739324|1.973694|2.032011|1.816169|1.629918|2.357393|2.567918|4.156991|4.231460|3.583254|4.566306|0.111561|4.479653|3.300108|4.531883|3.904327|5.878656|0.101647|0.146651|4.179007|5.011988|6.297348|11.986947|8.775950|7.090317|0.204857|4.569331|8.871530|17.564252|8.860048|6.400917|4.865194|4.584824|12.304847|0.037686|0.038599|0.039209|0.046844|0.058951|0.050336|0.042159|0.063049|0.070647|0.088188|0.103096|0.084206|0.083330|0.105443|0.158223|0.090301|0.102590|0.094535|0.114172|0.190590|0.119597|0.142576|0.110087|0.117608|0.113349|0.174377|0.204282|0.500000| |1.402714|1.570739|1.683958|1.907573|2.009392|1.825638|1.628104|2.348872|2.630576|4.314864|4.402669|3.628030|4.996687|0.130714|5.105623|3.636443|6.111214|4.962187|6.758423|0.113880|0.170278|4.301611|4.997968|6.187340|9.638045|9.738288|6.667149|0.157966|4.570891|8.960784|17.623892|8.876414|7.174732|6.632503|4.596219|12.487934|0.037141|0.038141|0.038165|0.044849|0.055887|0.051447|0.042454|0.063735|0.068547|0.089991|0.097643|0.090973|0.095279|0.141202|0.255871|0.108387|0.136007|0.098763|0.109632|0.171231|0.112405|0.177887|0.107786|0.112397|0.124275|0.220523|0.174735|0.305485|0.500000| |1.181575|1.297096|1.379772|1.524794|1.577970|1.457933|1.330515|1.777948|1.928074|3.234153|3.038570|2.430063|2.962496|0.080116|2.999775|2.425807|3.416921|3.219829|4.545053|0.085103|0.111206|2.916074|3.065779|3.475903|5.961429|5.417461|4.540935|0.114255|3.719209|7.101331|8.789279|17.532725|8.903592|7.234342|6.595181|10.122494|0.031471|0.032225|0.032370|0.037224|0.044488|0.040900|0.035044|0.048510|0.051613|0.062859|0.066980|0.063392|0.065051|0.086496|0.116823|0.075633|0.094413|0.070339|0.079551|0.098728|0.074730|0.104305|0.086319|0.103071|0.102707|0.202228|0.191948|0.174534|0.199346|0.500000| |1.223001|1.342829|1.443594|1.597011|1.629129|1.488520|1.362859|1.827363|1.965414|3.277500|3.087045|2.485086|2.957010|0.076871|3.003942|2.420543|3.220496|3.065958|4.616082|0.086402|0.114656|3.101793|3.275096|3.570337|6.564387|5.227246|4.465774|0.123509|3.516183|6.399010|8.866574|17.521587|8.804408|5.528070|7.346576|11.696610|0.032432|0.033268|0.033721|0.039237|0.047144|0.041301|0.035671|0.049223|0.053773|0.063444|0.070612|0.063949|0.063225|0.079212|0.106843|0.072809|0.086207|0.073431|0.088041|0.109706|0.081148|0.095468|0.083990|0.098866|0.091560|0.151297|0.190825|0.223387|0.175556|0.305175|0.500000| |1.160927|1.269413|1.333629|1.462610|1.527549|1.433601|1.312337|1.704824|1.892577|3.258652|2.953068|2.249983|2.724360|0.075200|2.957845|2.458360|3.636513|3.787104|5.181801|0.101615|0.125501|3.038987|2.960545|2.911692|4.869824|4.313038|3.198628|0.080983|2.748674|4.107917|5.081624|6.741858|8.830157|17.588992|6.971500|10.218423|0.030874|0.031972|0.031640|0.035798|0.042077|0.040558|0.034844|0.046420|0.048435|0.057910|0.060599|0.065702|0.067383|0.093581|0.119820|0.088081|0.122221|0.074814|0.081457|0.089876|0.070883|0.087756|0.067109|0.073635|0.078831|0.122802|0.104331|0.115977|0.151369|0.212354|0.143786|0.500000| |1.238087|1.356632|1.425610|1.564348|1.634355|1.533282|1.402847|1.818482|2.058958|3.591610|3.215775|2.380057|2.867605|0.077629|3.320254|2.757445|4.177422|4.880363|7.074606|0.145232|0.176883|3.782282|3.427437|2.950225|4.982578|4.134918|2.922676|0.075941|2.470255|3.513971|4.562972|5.473879|8.833758|17.552835|6.931201|13.206189|0.032720|0.034264|0.033716|0.038208|0.044928|0.043317|0.037193|0.048895|0.051373|0.060069|0.064069|0.075567|0.074728|0.103367|0.132016|0.110613|0.165105|0.092158|0.101373|0.101874|0.080306|0.083410|0.061926|0.065173|0.069700|0.099405|0.088283|0.112921|0.142871|0.144230|0.123597|0.301872|0.500000| |1.292545|1.429675|1.506989|1.674644|1.768895|1.648102|1.488607|2.011918|2.284471|3.906953|3.673925|2.800054|3.571324|0.098457|4.031532|3.168331|5.457353|5.559471|7.203031|0.131550|0.181564|3.947244|3.909189|3.753877|6.044076|5.529166|3.821060|0.094735|3.129380|4.782814|6.453924|6.894976|8.759552|17.556770|5.505001|12.732518|0.034257|0.035550|0.035070|0.040137|0.048206|0.046823|0.039322|0.054641|0.057091|0.070671|0.074093|0.083177|0.086605|0.134337|0.197046|0.118877|0.185235|0.094541|0.100848|0.118969|0.089198|0.113437|0.076570|0.080471|0.089801|0.140383|0.111903|0.143882|0.233928|0.184768|0.138973|0.302351|0.300016|0.500000| |1.175604|1.278335|1.366645|1.490813|1.509684|1.393266|1.291055|1.657003|1.799029|3.073571|2.760621|2.123017|2.439066|0.063439|2.628742|2.201738|2.839465|2.958669|4.709631|0.094233|0.116834|3.082273|2.959881|2.722745|5.020239|3.759516|2.932086|0.081778|2.454169|3.617902|4.684246|6.833906|8.794053|5.516511|17.536685|12.672556|0.031042|0.032256|0.032508|0.037334|0.043724|0.038547|0.033949|0.044157|0.048143|0.053884|0.060242|0.060330|0.057516|0.069825|0.088924|0.071623|0.084753|0.073873|0.091520|0.094411|0.073927|0.071190|0.061442|0.068094|0.065587|0.093333|0.101796|0.128968|0.116847|0.158875|0.217688|0.140937|0.142203|0.122881|0.500000| |1.164517|1.264226|1.339007|1.455423|1.487212|1.386950|1.285814|1.627321|1.794231|3.113053|2.743982|2.058489|2.375971|0.062724|2.646539|2.245827|2.981399|3.289471|5.218225|0.109347|0.128854|3.192087|2.916178|2.542301|4.544250|3.504885|2.621299|0.071218|2.230531|3.165410|4.047638|5.478559|8.801401|7.035786|17.571367|12.671067|0.030739|0.032159|0.032048|0.036383|0.042232|0.038632|0.033998|0.043420|0.046613|0.052208|0.057321|0.062287|0.059446|0.073782|0.091940|0.079430|0.098395|0.077665|0.093050|0.089425|0.071643|0.068234|0.056224|0.060836|0.061069|0.085351|0.085379|0.107225|0.110496|0.138020|0.145418|0.176013|0.211144|0.141950|0.300817|0.500000| 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