Version2.1 2020-12-18T08:45:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[C@H](CC)C(=O)N(c1ccccc1)[C@@H](c2ccc(cc2)O)C(=O)NC3CCCCC3 C36606579 RHF 6-31G(d) (6D,7F) CCCC[C@H](CC)C(=O)N(c1ccccc1)[C@@H](c2ccc(cc2)O)C(=O)NC3CCCCC3 C01[X(C28H38N2O3)] 207 C1 571 CCCC[C@@H](C(=O)N([C@@H](c1ccc(cc1)O)C(=O)NC1CCCCC1)c1ccccc1)CC CCCC[C@@H](C(=O)N([C@@H](c1ccc(cc1)O)C(=O)NC1CCCCC1)c1ccccc1)CC CCCC[C@H](CC)C(=O)N([C@H](C(=O)NC1CCCCC1)c2ccc(O)cc2)c3ccccc3 InChIKey=SEYZLKDRXZWSMF-LVXARBLLSA-N InChI=1S/C28H38N2O3/c1-3-5-12-21(4-2)28(33)30(24-15-10-7-11-16-24)26(22-17-19-25(31)20-18-22)27(32)29-23-13-8-6-9-14-23/h7,10-11,15-21,23,26,31H,3-6,8-9,12-14H2,1-2H3,(H,29,32)/t21-,26-/m0/s1 InChI=1/C28H38N2O3/c1-3-5-12-21(4-2)28(33)30(24-15-10-7-11-16-24)26(22-17-19-25(31)20-18-22)27(32)29-23-13-8-6-9-14-23/h7,10-11,15-21,23,26,31H,3-6,8-9,12-14H2,1-2H3,(H,29,32)/t21-,26-/m0/s1/f/h29H CCCC[C@H](CC)C(=O)N(c1ccccc1)[C@@H](c2ccc(cc2)O)C(=O)NC3CCCCC3 C01[X(C28H38N2O3)] 207 C01 571 CCCC[C@@H](C(=O)N([C@@H](c1ccc(cc1)O)C(=O)NC1CCCCC1)c1ccccc1)CC CCCC[C@@H](C(=O)N([C@@H]([C]1[CH][CH][C]([CH][CH]1)O)C(=O)NC1CCCCC1)[C]1[CH][CH][CH][CH][CH]1)CC CCCC[C@H](CC)C(=O)N([C]1[CH][CH][CH][CH][CH]1)[C@@H]([C]2[CH][CH][C](O)[CH][CH]2)C(=O)NC3CCCCC3 InChIKey=SEYZLKDRXZWSMF-LVXARBLLSA-N InChI=1S/C28H38N2O3/c1-3-5-12-21(4-2)28(33)30(24-15-10-7-11-16-24)26(22-17-19-25(31)20-18-22)27(32)29-23-13-8-6-9-14-23/h7,10-11,15-21,23,26,31H,3-6,8-9,12-14H2,1-2H3,(H,29,32)/t21-,26-/m0/s1 InChI=1/C28H38N2O3/c1-3-5-12-21(4-2)28(33)30(24-15-10-7-11-16-24)26(22-17-19-25(31)20-18-22)27(32)29-23-13-8-6-9-14-23/h7,10-11,15-21,23,26,31H,3-6,8-9,12-14H2,1-2H3,(H,29,32)/t21-,26-/m0/s1/f/h29H 3502.2235981529 -1415.9779063 1-A 17918.0436 122 449 571 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0.5326 0.4702 0.4038 0.4319 0.4380 0.3995 0.4702 0.7415 0.7023 0.0733 0.4533 0.7678 0.8271 0.1200 0.7807 0.4246 0.8525 0.4061 0.6015 0.7120 0.8568 0.7654 0.6673 0.7820 0.4373 0.0514 0.2749 0.2605 0.8570 0.4984 0.6238 0.8521 0.8557 0.3949 0.1935 0.3673 0.3014 0.2800 0.2660 0.4523 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 6 6 6 6 6 1 6 6 6 8 7 6 6 6 6 6 6 6 1 6 6 6 6 6 6 8 6 8 7 6 6 6 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 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 15453.3125 17932.8269 28632.9528 0.99861 -0.05254 0.00282 0.05255 0.99861 -0.00287 -0.00266 0.00302 0.99999 1 0.00560 0.00483 0.00302 0.11679 0.10064 0.06303 17.99 21.66 33.43 41.52 49.58 57.10 68.87 77.37 95.21 98.09 100.86 105.98 110.28 143.92 166.61 188.01 188.29 214.47 248.67 271.78 280.48 295.69 327.24 345.38 354.61 368.66 378.58 388.33 411.81 452.48 465.17 479.00 521.85 535.24 550.87 562.46 623.36 656.81 662.59 668.84 673.20 675.11 680.38 710.15 719.84 748.08 754.47 812.16 865.41 869.20 884.35 976.23 1000.43 1009.57 1049.95 1120.37 1126.28 1133.26 1147.11 1174.15 1195.54 1207.54 1231.22 1241.13 1258.08 1273.87 1292.53 1301.28 1312.70 1316.34 1330.62 1363.07 1371.44 1383.55 1390.65 1401.34 1410.31 1451.27 1468.00 1511.42 1520.43 1523.16 1542.46 1552.29 1566.71 1573.96 1590.03 1593.11 1599.18 1602.59 1604.23 1622.85 1627.20 1636.06 1639.48 1648.69 1684.91 1687.40 1690.15 1696.22 1725.88 1730.22 1743.16 1750.42 1770.65 1781.25 1783.04 1849.27 1855.96 1863.43 1875.20 1891.97 1904.19 1909.21 1931.98 1949.40 1958.07 1985.70 2002.23 2017.90 2020.67 2029.17 2031.96 2040.57 2048.98 2060.10 2097.84 2100.32 2112.16 2115.95 2129.53 2137.32 2152.70 2164.83 2172.91 2192.10 2195.87 2196.88 2204.28 2231.43 2239.06 2253.42 2254.48 2263.60 2282.55 2315.10 2323.12 2342.82 2352.42 2352.89 2353.72 2358.93 2362.79 2364.34 2365.70 2366.64 2374.91 2381.56 2385.97 2390.59 2409.60 2442.46 2470.07 2566.21 2578.83 2599.20 2622.01 2732.73 2776.12 4561.17 4576.20 4580.73 4583.71 4588.07 4590.20 4591.55 4599.09 4605.62 4611.38 4617.18 4624.12 4643.91 4649.52 4651.70 4660.43 4661.65 4663.59 4688.03 4690.44 4695.80 4696.64 4711.57 4720.28 4733.07 4738.54 4752.11 4815.55 4828.27 4830.87 4848.78 4865.97 4881.36 4883.26 4900.98 4914.89 5565.57 5921.74 0.663466 0.694885 0.695829 0.595867 -1415.314440 -1415.283021 -1415.282077 -1415.382039 3.352742D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE CCCC[C@H](CC)C(=O)N(c1ccccc1)[C@@H](c2ccc(cc2)O)C(=O)NC3CCCCC3 C36606579 RHF 6-31G(d) (6D,10F) C1 450.288243 |X|Y|Z| 86.133800 94.647473 39.253414 68.399567 22 6 7 20 2 |36.858105| |12.465467|36.858105| |7.469397|12.447581|36.858105| |4.867144|7.483819|12.447219|36.858105| |3.719594|4.847395|7.404447|12.385140|36.858105| |3.669269|4.582197|6.887093|8.933189|17.624572|0.500000| |3.432536|4.146141|6.047698|7.325616|12.302691|0.249168|36.858105| |3.232541|3.874896|5.098452|6.059646|7.280025|0.151500|12.451749|36.858105| |2.984628|3.785599|4.900308|7.637573|12.493942|0.247382|7.589045|6.027164|36.858105| |2.847728|3.629850|4.400916|6.728765|8.009778|0.164396|6.072318|5.916290|15.780722|73.516695| |2.564390|3.106435|3.854413|5.202042|7.607683|0.204064|5.666906|4.507715|13.907878|15.191862|53.358707| |2.530606|2.976046|3.707803|4.578553|6.510622|0.216507|5.085996|3.837255|7.722498|9.541997|18.090655|36.858105| |2.339503|2.658971|3.305441|3.819358|5.346102|0.175754|4.933264|3.705632|5.648797|7.587518|10.629940|13.738646|36.858105| |2.222569|2.452350|2.979854|3.246533|4.187985|0.140794|3.948295|3.062361|4.131902|5.885123|6.986074|7.925395|13.751823|36.858105| |2.260511|2.479323|2.948726|3.155173|3.842608|0.131841|3.432449|2.714729|3.744251|5.420784|6.158471|6.859673|7.939088|13.753258|36.858105| |2.429950|2.728630|3.221628|3.542609|4.212033|0.146612|3.481414|2.764309|4.197793|6.014598|6.977537|7.935120|6.886715|7.948072|13.746836|36.858105| |2.584124|3.020953|3.642650|4.325769|5.389483|0.187119|4.097253|3.207688|5.814593|7.866905|10.584733|13.724381|7.938653|6.869523|7.923932|13.747972|36.858105| |2.204462|2.625186|3.075041|3.980026|4.992927|0.130966|4.156297|3.704631|7.979627|13.075953|17.635545|7.523118|5.595262|4.101465|3.707444|4.138834|5.689095|36.858105| 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|2.125939|2.555564|2.624711|3.249203|3.117222|0.079244|2.640772|2.657617|3.844453|8.174289|4.959776|2.995935|2.505154|2.178979|2.161061|2.453430|2.951045|4.200431|0.117023|3.388785|2.890475|2.466841|2.378548|2.631535|3.163167|3.660141|5.882591|9.885392|10.470827|12.428756|36.858105| |1.956703|2.299386|2.289839|2.708730|2.551768|0.066143|2.210216|2.230876|2.973325|6.039047|3.875688|2.460569|2.109822|1.884544|1.892583|2.133772|2.479465|3.173978|0.087736|2.724155|2.385306|2.106806|2.066394|2.273571|2.633524|3.254818|4.127220|7.362605|6.776567|7.528544|12.439236|36.858105| |1.702659|1.959601|1.966432|2.284250|2.206135|0.057497|1.966938|2.003051|2.559623|5.148684|3.407699|2.186623|1.918613|1.724734|1.719124|1.904331|2.176139|2.847721|0.080150|2.543018|2.286250|2.054576|2.015954|2.184621|2.467578|3.212624|3.546101|6.096837|6.023735|6.431668|7.527185|12.441802|36.858105| |1.603834|1.835195|1.875937|2.182197|2.170682|0.057205|1.939966|1.948475|2.559214|5.055164|3.533816|2.279469|2.003994|1.801162|1.792854|1.982626|2.264121|3.062991|0.085334|2.827390|2.531205|2.293989|2.276457|2.485025|2.791732|3.615550|3.858509|6.521217|6.815773|7.531984|6.449973|7.538884|12.440461|36.858105| |1.693261|1.957919|2.047398|2.436855|2.488111|0.065073|2.211883|2.213491|3.054176|6.121948|4.298294|2.686100|2.333877|2.053532|2.016800|2.232133|2.607341|3.953985|0.111497|3.595494|3.162707|2.784216|2.717409|2.978099|3.451251|4.199270|5.176798|8.091107|10.619991|12.450634|7.539302|6.444378|7.516632|12.436165|36.858105| |17.533846|8.772202|6.764548|4.497864|3.588769|0.096970|3.509024|3.389353|2.866105|4.883374|3.347535|2.417941|2.279441|2.163356|2.163890|2.279898|2.415967|2.119232|0.058181|1.857667|1.736078|1.562365|1.495402|1.568685|1.745343|2.422155|2.086461|3.821823|2.618041|1.837081|2.000342|1.837035|1.617548|1.527775|1.617970|0.500000| |17.546510|8.771090|5.452240|4.042892|3.156024|0.086114|2.914173|2.810476|2.646101|4.575188|3.136234|2.262735|2.090081|1.994257|2.039283|2.197416|2.326895|2.024627|0.055057|1.777432|1.641649|1.483483|1.436265|1.522407|1.695082|2.330400|2.055373|3.835423|2.594557|1.862365|2.055309|1.925548|1.676932|1.567271|1.634995|0.301693|0.500000| |17.533855|8.773389|6.769932|4.494200|3.618134|0.103570|3.316666|3.007479|2.890893|4.791336|3.462364|2.581084|2.402856|2.326806|2.403115|2.579685|2.683314|2.170996|0.058235|1.916213|1.763911|1.594093|1.546918|1.644211|1.832752|2.503771|2.161126|4.061899|2.665087|1.877035|2.022735|1.863897|1.628742|1.549871|1.637844|0.301690|0.301678|0.500000| |8.861255|17.514627|8.856275|6.879671|4.559719|0.123218|3.705357|3.407197|3.741231|6.376585|4.265239|3.020829|2.639873|2.447401|2.527182|2.853551|3.171322|2.673657|0.071278|2.258284|2.020213|1.785893|1.729764|1.869324|2.143328|2.753122|2.778665|5.325878|3.403985|2.426258|2.718447|2.464463|2.067204|1.929860|2.045023|0.172935|0.212818|0.210588|0.500000| |8.860353|17.512429|8.858233|6.900123|4.505566|0.112677|3.980576|3.992996|3.690474|6.599726|4.059305|2.770973|2.481071|2.261555|2.255844|2.465770|2.757537|2.580307|0.071204|2.165483|1.979650|1.742450|1.659571|1.761711|2.008555|2.647127|2.626826|4.820795|3.308850|2.342553|2.665180|2.403551|2.044474|1.887987|2.007120|0.210701|0.212640|0.172932|0.304071|0.500000| |6.910478|8.886021|17.520843|8.808503|6.668242|0.167155|6.668506|5.891308|4.475919|7.269291|4.839854|3.410719|3.172182|2.865746|2.764555|2.916328|3.238968|2.873619|0.079223|2.424690|2.249030|1.965806|1.845691|1.935816|2.205632|2.928920|2.718366|4.887301|3.311611|2.230740|2.403378|2.106376|1.840055|1.759559|1.921970|0.204978|0.140908|0.170108|0.174032|0.211877|0.500000| |6.865638|8.861883|17.489936|8.834773|6.891732|0.210344|5.589617|4.385623|4.590378|7.004708|5.222537|3.927634|3.535881|3.281791|3.322336|3.638169|3.990692|3.014792|0.079585|2.564481|2.314750|2.033092|1.947651|2.085999|2.394248|3.079797|2.897820|5.435431|3.417469|2.309100|2.449106|2.152093|1.860504|1.797164|1.959866|0.168657|0.140386|0.203708|0.212171|0.173771|0.303859|0.500000| |4.575563|6.990449|8.892597|17.514514|8.902427|0.215468|5.427764|4.614773|7.174431|11.441342|7.144557|4.663780|3.710422|3.193940|3.213489|3.773293|4.718931|4.115089|0.107103|3.191835|2.740420|2.319960|2.212780|2.426453|2.920748|3.413490|4.255613|8.162943|4.869934|3.271594|3.617594|3.003188|2.467278|2.349249|2.611039|0.112054|0.109732|0.120073|0.211593|0.175420|0.173683|0.210117|0.500000| |4.512122|6.789599|8.821807|17.592370|8.819217|0.174592|6.634497|6.676912|6.991142|13.053666|6.394644|3.937426|3.360251|2.850915|2.736032|3.020394|3.645878|3.840015|0.108073|2.975708|2.670880|2.248923|2.089109|2.221553|2.626625|3.242791|3.780062|6.640840|4.609535|3.065432|3.463948|2.866325|2.411696|2.265560|2.528097|0.119399|0.107971|0.110763|0.168754|0.204997|0.211708|0.173281|0.305403|0.500000| |3.784232|4.385159|6.629518|6.600275|8.878878|0.224370|17.551408|8.871067|5.555853|8.205507|6.160731|4.419454|4.448361|3.818888|3.383498|3.369037|3.774082|3.443919|0.095989|2.932921|2.792511|2.401342|2.194253|2.256478|2.573961|3.442012|2.979572|5.157904|3.552725|2.282675|2.349470|2.012438|1.796864|1.767104|1.982393|0.110093|0.087069|0.103195|0.105711|0.113201|0.223755|0.178611|0.137711|0.159681|0.500000| |2.910691|3.393180|4.610320|5.428881|8.854084|0.216468|17.527563|8.873384|7.113701|9.880182|8.329665|5.670948|6.036397|4.589014|3.745908|3.652822|4.263151|4.455277|0.127096|3.757216|3.658050|3.024655|2.664667|2.697517|3.122132|4.084635|3.517286|5.821959|4.127163|2.537220|2.528203|2.115728|1.909890|1.914649|2.204203|0.082338|0.070048|0.079615|0.086815|0.090413|0.136530|0.125340|0.123597|0.138328|0.305849|0.500000| |2.885018|3.486214|4.353144|5.527521|6.616438|0.137156|8.747721|17.599833|6.643389|13.004113|6.636942|3.887011|3.669018|2.969552|2.629781|2.706077|3.201640|4.187607|0.133273|3.322071|3.242935|2.660933|2.330761|2.355481|2.734275|3.600846|3.573983|5.675877|4.536529|2.824120|2.963721|2.434741|2.192809|2.135915|2.466171|0.082336|0.071288|0.074599|0.088012|0.101511|0.130331|0.105161|0.123995|0.177615|0.172960|0.208445|0.500000| |3.706087|4.529880|5.842621|6.591657|6.510336|0.137883|8.746236|17.563654|5.224347|9.508792|5.315952|3.383030|3.198886|2.726422|2.490993|2.574004|2.958346|3.281532|0.097502|2.693689|2.583085|2.200599|1.990095|2.035819|2.329403|3.130450|2.976616|4.994722|3.757077|2.454495|2.647507|2.251954|2.004171|1.917469|2.144100|0.109804|0.088921|0.092550|0.106422|0.135256|0.197833|0.130227|0.135241|0.221043|0.212038|0.173010|0.302480|0.500000| |2.922090|3.331696|4.202361|4.589741|5.390515|0.123865|8.839317|17.540460|4.656628|8.086976|5.183352|3.379156|3.418402|2.896231|2.539791|2.522779|2.843981|3.236908|0.097955|2.764966|2.769986|2.371304|2.097963|2.092342|2.354015|3.312542|2.785535|4.584702|3.521213|2.255530|2.339728|1.999726|1.825970|1.786091|2.015624|0.086835|0.071271|0.076279|0.081609|0.094888|0.137601|0.104457|0.102433|0.135871|0.213524|0.216796|0.301063|0.302426|0.500000| |2.239209|2.534540|3.144760|3.636841|5.125567|0.154925|5.238798|4.026177|5.525341|7.684587|9.811247|8.943242|17.732944|8.903212|5.643898|4.960395|5.653309|5.517811|0.141416|5.615155|5.623621|4.617727|3.999605|3.992894|4.596339|5.846733|3.928999|6.484858|4.409592|2.628854|2.441950|2.051867|1.886784|1.969832|2.307450|0.061489|0.055675|0.063117|0.068814|0.066767|0.086212|0.090987|0.095332|0.091714|0.127525|0.194374|0.112066|0.093385|0.105567|0.500000| |2.065464|2.237474|2.686824|2.858916|3.600151|0.116467|3.596969|2.867429|3.510490|5.172486|5.671950|5.643635|8.927184|17.717830|8.907751|5.647210|4.950254|3.496750|0.088211|3.760108|3.701160|3.542301|3.448806|3.496112|3.649319|5.462744|2.878389|5.095441|3.321381|2.100766|1.964949|1.717738|1.589485|1.659125|1.879083|0.056510|0.051682|0.060041|0.061407|0.057696|0.073335|0.081561|0.077031|0.071028|0.098617|0.117474|0.076795|0.070846|0.077393|0.214910|0.500000| |2.120780|2.274524|2.646906|2.749823|3.224100|0.107642|2.959651|2.402022|3.102953|4.634197|4.905511|4.944833|5.645186|8.912135|17.714210|8.907935|5.638904|3.078537|0.075267|3.235285|2.953978|2.849687|2.983957|3.275287|3.432912|4.811338|2.762285|5.217420|3.158777|2.067347|1.941432|1.728395|1.581479|1.647344|1.829314|0.056542|0.053532|0.063162|0.064388|0.057484|0.069537|0.083027|0.077669|0.067035|0.082734|0.088633|0.064347|0.061942|0.063307|0.124059|0.214628|0.500000| |2.386802|2.645548|3.020860|3.238704|3.626857|0.122396|3.015472|2.463510|3.581895|5.329420|5.661802|5.647936|4.958945|5.648591|8.910582|17.715069|8.932816|3.536753|0.082922|3.515029|2.957634|2.739477|2.904860|3.426684|3.876797|4.542330|3.426403|7.044045|3.770371|2.507356|2.357311|2.090439|1.861913|1.933025|2.139209|0.061541|0.060620|0.071075|0.078226|0.066104|0.075316|0.095163|0.097833|0.077307|0.082236|0.085811|0.066961|0.064942|0.062696|0.107647|0.124095|0.214695|0.500000| |2.658842|3.170095|3.708621|4.519834|5.190655|0.169018|3.801279|3.088200|5.814343|8.231488|9.774796|8.958650|5.660143|4.953569|5.632434|8.875429|17.756666|5.698649|0.122601|4.904433|3.716251|3.165572|3.221859|3.903201|5.097959|4.768701|5.857449|13.570320|5.678773|3.602963|3.358447|2.800283|2.401066|2.485852|2.853413|0.067967|0.067168|0.076075|0.095179|0.080680|0.089258|0.110675|0.146618|0.106368|0.096771|0.105549|0.086721|0.080922|0.075142|0.124629|0.107536|0.123842|0.214154|0.500000| |1.805536|2.055509|2.379774|2.832835|3.501066|0.093234|3.474251|3.273665|4.463638|7.649053|7.577306|4.725264|4.820326|3.746901|3.142507|3.117898|3.658306|7.083012|0.227538|8.909458|17.696535|8.985506|5.670105|4.973519|5.668354|7.592886|4.740270|6.785683|5.981075|3.306474|2.866191|2.353228|2.259546|2.459093|3.064129|0.049513|0.046320|0.049527|0.056586|0.056584|0.065007|0.065168|0.076840|0.077757|0.082507|0.111683|0.102484|0.078280|0.086275|0.157834|0.097556|0.075718|0.074929|0.094303|0.500000| |1.503809|1.664582|1.880651|2.133321|2.518164|0.069921|2.509967|2.356066|2.934278|4.981675|4.801217|3.453943|3.734524|3.311178|2.852700|2.723946|2.945071|4.091447|0.114784|5.605219|8.879607|17.737403|8.949093|5.658213|4.957675|13.278077|3.291631|5.144140|4.263793|2.582639|2.230984|1.930432|1.901360|2.106311|2.516365|0.041254|0.038982|0.041747|0.046126|0.045482|0.051456|0.052494|0.058664|0.057908|0.063057|0.078968|0.070322|0.058287|0.063928|0.114997|0.091067|0.071845|0.067249|0.075566|0.215318|0.500000| |1.556592|1.728354|1.912128|2.161902|2.454559|0.071403|2.233078|2.013098|2.836283|4.687309|4.814048|3.810634|3.654796|3.521778|3.528262|3.674524|3.827472|4.062105|0.097125|5.628341|4.972747|5.642669|8.905261|17.687494|8.921047|12.726608|3.850610|6.790741|4.655925|2.977292|2.460367|2.174662|2.095516|2.388132|2.785135|0.041561|0.040684|0.043919|0.049620|0.046326|0.050289|0.054697|0.062844|0.056912|0.057381|0.066732|0.058586|0.051737|0.052676|0.094575|0.089333|0.089540|0.095243|0.101945|0.107832|0.124311|0.500000| |1.896301|2.175342|2.439690|2.893118|3.326484|0.096575|2.826816|2.496094|4.122617|6.668512|7.583740|5.762424|4.642426|4.056778|4.122842|4.858474|5.978439|6.874999|0.141514|8.920129|5.668595|4.958683|5.659182|8.964362|17.750022|7.493004|7.056156|13.184901|7.190951|4.267254|3.396207|2.834544|2.601609|2.936792|3.579328|0.049981|0.049186|0.053203|0.063312|0.058126|0.062592|0.069404|0.086771|0.075200|0.070753|0.083075|0.073504|0.064109|0.063148|0.114273|0.095405|0.097363|0.121708|0.171478|0.124313|0.107650|0.216656|0.500000| |1.364856|1.491873|1.646227|1.825798|2.071139|0.059542|1.972239|1.813646|2.332731|3.913092|3.798153|2.950302|3.052682|3.006165|2.868711|2.786753|2.824033|3.125091|0.080316|4.152798|4.439841|6.056203|10.006256|7.783692|4.985639|35.760752|2.847383|4.842304|3.630240|2.352174|2.005900|1.802034|1.777714|2.005706|2.300176|0.036917|0.035750|0.038423|0.042205|0.040256|0.044169|0.046861|0.051819|0.048681|0.051142|0.059669|0.052668|0.046413|0.048576|0.083731|0.081503|0.075441|0.072099|0.073808|0.101222|0.152039|0.230156|0.117019|0.500000| |1.965077|2.326591|2.556303|3.216578|3.502127|0.088405|3.080804|3.076307|4.835361|10.368477|6.927851|3.820939|3.221907|2.658334|2.507902|2.762427|3.412651|7.554250|0.245387|5.732397|4.833098|3.754179|3.390754|3.659439|4.633330|4.938185|9.490706|10.931390|26.051211|9.062721|6.598246|4.469981|4.175776|4.642802|7.191515|0.052575|0.051462|0.052653|0.066194|0.066052|0.066984|0.067330|0.093408|0.093248|0.073233|0.086689|0.099830|0.079674|0.075928|0.090658|0.066539|0.061280|0.070383|0.101398|0.135742|0.091600|0.088568|0.125786|0.072603|0.500000| |1.928158|2.266582|2.376198|2.878854|2.912875|0.077633|2.454925|2.360880|3.617799|6.983288|5.200185|3.280475|2.705160|2.378585|2.402720|2.780401|3.348237|4.691188|0.119445|4.079830|3.289580|2.850069|2.870072|3.350840|4.128188|4.347862|7.412099|13.673539|12.700729|17.605871|8.898103|6.835612|5.691238|6.827832|8.896791|0.050273|0.051479|0.052262|0.067452|0.063363|0.060278|0.063942|0.089718|0.080488|0.061230|0.067309|0.071686|0.063740|0.058641|0.071614|0.058962|0.059804|0.074852|0.107986|0.085583|0.069541|0.088320|0.130607|0.067196|0.181207|0.500000| |2.398003|2.955488|3.030992|3.858205|3.587093|0.090696|2.921078|2.891121|4.424088|9.391321|5.521115|3.312956|2.702344|2.340244|2.340446|2.704730|3.314508|4.443175|0.120043|3.455942|2.892219|2.448867|2.366295|2.643445|3.226195|3.626263|6.322853|11.460977|9.557641|8.864795|17.573768|8.786727|5.481980|4.839819|5.506911|0.061909|0.064082|0.063224|0.088832|0.085315|0.075432|0.078076|0.124210|0.113712|0.072056|0.076374|0.088615|0.080727|0.069482|0.072184|0.057999|0.058000|0.072252|0.107600|0.079499|0.061230|0.068708|0.097956|0.055305|0.163137|0.216163|0.500000| |2.119226|2.547810|2.630367|3.269204|3.146579|0.078234|2.732616|2.839478|3.894473|8.704531|4.875184|2.890312|2.459276|2.122331|2.070625|2.309073|2.764239|4.120132|0.121464|3.292371|2.894733|2.452296|2.314127|2.500165|2.973343|3.570551|5.304954|8.356751|9.606775|8.867840|17.493004|8.833188|6.780543|5.674339|6.809632|0.056033|0.056790|0.055487|0.073762|0.075051|0.067977|0.067199|0.097811|0.099951|0.066917|0.072456|0.089924|0.078701|0.069386|0.067828|0.053601|0.051706|0.060999|0.085139|0.081866|0.062336|0.064235|0.086019|0.053847|0.194299|0.174500|0.303207|0.500000| |1.944576|2.271846|2.250317|2.631087|2.476037|0.065336|2.123940|2.103839|2.847675|5.597805|3.778056|2.455554|2.095636|1.892860|1.928852|2.198758|2.536926|3.058291|0.082185|2.670940|2.311779|2.062836|2.057852|2.297703|2.654740|3.251638|4.017768|7.584112|6.247851|6.785602|8.849356|17.496143|8.851378|6.784975|5.660589|0.050303|0.053315|0.051919|0.068616|0.065027|0.057004|0.059512|0.082339|0.075637|0.054196|0.056601|0.062888|0.058928|0.052509|0.055923|0.047755|0.049100|0.060632|0.080711|0.062428|0.052248|0.061900|0.081052|0.050458|0.110668|0.201471|0.214122|0.173527|0.500000| |2.036276|2.395755|2.335418|2.732343|2.505907|0.064523|2.184073|2.232517|2.845436|5.804230|3.614737|2.308031|1.995160|1.790120|1.797188|2.015822|2.323690|2.867851|0.080037|2.453249|2.177846|1.929526|1.882268|2.049873|2.354031|2.986250|3.574994|6.406198|5.607821|5.490247|8.829023|17.538524|8.809740|5.490305|4.834094|0.053036|0.056188|0.053342|0.071380|0.070643|0.059733|0.060310|0.083823|0.081572|0.055604|0.057385|0.067288|0.063611|0.055563|0.054048|0.045513|0.045777|0.054982|0.072433|0.060325|0.049537|0.054514|0.069862|0.045872|0.106391|0.140173|0.211302|0.214255|0.303622|0.500000| |1.613797|1.835737|1.820733|2.076415|1.991608|0.052332|1.787615|1.817404|2.260868|4.469817|3.012861|1.971062|1.745897|1.588663|1.593313|1.759179|1.980741|2.468605|0.068985|2.242842|2.034448|1.855468|1.835724|1.983832|2.205510|2.961887|2.999041|5.272792|4.859101|4.829370|5.484826|8.807095|17.532607|8.819448|5.483814|0.042557|0.044494|0.042955|0.053921|0.053140|0.047405|0.048049|0.062218|0.060579|0.045837|0.048171|0.054646|0.050787|0.046341|0.047585|0.040859|0.041037|0.048187|0.060495|0.055731|0.047999|0.053457|0.064695|0.045785|0.093860|0.127366|0.122958|0.139176|0.214711|0.211311|0.500000| |1.685802|1.938295|1.949159|2.264491|2.190285|0.056480|1.982170|2.054895|2.539748|5.194772|3.337180|2.121021|1.878897|1.681157|1.658317|1.817982|2.076357|2.784876|0.080411|2.474171|2.265785|2.029358|1.961635|2.091216|2.351663|3.131981|3.356998|5.605911|5.750103|5.645457|6.778484|8.851731|17.494447|8.851823|6.764984|0.044828|0.046082|0.044529|0.056129|0.056722|0.051155|0.050824|0.066864|0.067386|0.050133|0.053419|0.063055|0.057197|0.052203|0.051887|0.043264|0.042371|0.049014|0.062842|0.063198|0.052641|0.055226|0.067663|0.047787|0.116706|0.131580|0.139190|0.199587|0.173749|0.214696|0.303322|0.500000| |1.584475|1.805257|1.839461|2.123283|2.109624|0.056333|1.870789|1.852154|2.462809|4.755950|3.445143|2.267282|1.986841|1.804324|1.818626|2.027003|2.297553|2.953388|0.080093|2.772469|2.450466|2.246908|2.276467|2.528511|2.825133|3.631433|3.756602|6.635338|6.278166|6.785513|5.660021|6.784988|8.853421|17.499382|8.858078|0.041708|0.043087|0.042809|0.053177|0.051125|0.047646|0.049398|0.064131|0.060387|0.047661|0.051342|0.055765|0.050655|0.047196|0.053659|0.046042|0.046585|0.055484|0.070674|0.065097|0.056977|0.068683|0.084302|0.056599|0.114171|0.201098|0.126735|0.131284|0.199642|0.139320|0.215052|0.173783|0.500000| |1.477455|1.672474|1.709415|1.963994|1.965174|0.051911|1.786554|1.805441|2.289699|4.490865|3.170814|2.066989|1.848872|1.672892|1.657892|1.810258|2.040096|2.732031|0.077009|2.585013|2.375069|2.189961|2.171660|2.329403|2.553355|3.499288|3.286385|5.506926|5.647614|5.494185|4.838888|5.489378|8.805122|17.536950|8.832734|0.039325|0.040174|0.039698|0.048498|0.047827|0.044932|0.045577|0.058000|0.056671|0.045411|0.049242|0.054876|0.049273|0.046448|0.050852|0.043181|0.042583|0.049016|0.061297|0.064399|0.056549|0.062401|0.073314|0.053898|0.111649|0.140047|0.106640|0.127034|0.139277|0.123111|0.211527|0.214675|0.303574|0.500000| 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