Version2.1 2021-01-13T20:05:53Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)OCCCNC(=O)c1c2c(nc3ccccc3n2)n4c1[nH]c(=O)c5c4cccc5 C11692081 RHF 6-31G(d) (6D,7F) CC(C)OCCCNC(=O)c1c2c(nc3ccccc3n2)n4c1[nH]c(=O)c5c4cccc5 C01[X(C24H39N5O3)] 207 C1 558 CC(OCCCNC(=O)c1c2[nH]c(=O)c3c(n2c2c1nc1ccccc1n2)cccc3)C CC(OCCCNC(=O)c1c2[nH]c(=O)c3c(n2c2c1nc1ccccc1n2)cccc3)C CC(C)OCCCNC(=O)C1=C2NC(=O)C3CCCCC3N2C4NC5CCCCC5NC14 InChIKey=KYCFTPLINPWFBS-UHFFFAOYSA-N InChI=1S/C24H39N5O3/c1-14(2)32-13-7-12-25-24(31)19-20-22(27-17-10-5-4-9-16(17)26-20)29-18-11-6-3-8-15(18)23(30)28-21(19)29/h14-18,20,22,26-27H,3-13H2,1-2H3,(H,25,31)(H,28,30) InChI=1/C24H39N5O3/c1-14(2)32-13-7-12-25-24(31)19-20-22(27-17-10-5-4-9-16(17)26-20)29-18-11-6-3-8-15(18)23(30)28-21(19)29/h14-18,20,22,26-27H,3-13H2,1-2H3,(H,25,31)(H,28,30)/f/h25,28H CC(C)OCCCNC(=O)c1c2c(nc3ccccc3n2)n4c1[nH]c(=O)c5c4cccc5 C01[X(C24H39N5O3)] 207 C01 558 CC(OCCCNC(=O)c1c2[nH]c(=O)c3c(n2c2c1nc1ccccc1n2)cccc3)C CC(OCCCNC(=O)[C]1[C]2NC(=O)[C@H]3[C@H]([N@]2[C@H]2[C@H]1N[C@@H]1CCCC[C@H]1N2)CCCC3)C CC(C)OCCCNC(=O)[C]1[C]2NC(=O)[C@@H]3CCCC[C@H]3N2[C@@H]4N[C@@H]5CCCC[C@H]5N[C@@H]14 InChIKey=KYCFTPLINPWFBS-GDBLNUJPSA-N InChI=1S/C24H39N5O3/c1-14(2)32-13-7-12-25-24(31)19-20-22(27-17-10-5-4-9-16(17)26-20)29-18-11-6-3-8-15(18)23(30)28-21(19)29/h14-18,20,22,26-27H,3-13H2,1-2H3,(H,25,31)(H,28,30)/t15-,16-,17-,18-,20+,22+/m1/s1 InChI=1/C24H39N5O3/c1-14(2)32-13-7-12-25-24(31)19-20-22(27-17-10-5-4-9-16(17)26-20)29-18-11-6-3-8-15(18)23(30)28-21(19)29/h14-18,20,22,26-27H,3-13H2,1-2H3,(H,25,31)(H,28,30)/t15-,16-,17-,18-,20+,22+/m1/s1/f/h25,28H 3372.4626570706 -1428.4180271 1-A 22691.1479 121 437 558 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.54983 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0.8405 0.7087 0.2994 0.5750 0.4330 0.4278 0.6916 0.8211 0.3921 0.3728 0.6231 0.5180 0.3785 0.4733 0.1831 0.3092 0.4222 0.7915 0.3272 0.8422 0.7834 0.6279 0.7419 0.8309 0.5867 0.0102 0.4692 0.3185 0.8525 0.7755 0.4154 0.7301 0.8498 0.8493 0.8547 0.8069 0.8263 0.5599 0.4590 0.4434 0.4218 0.4164 0.2594 0.2735 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 8 6 6 6 7 6 8 6 6 6 7 6 6 6 6 6 6 7 7 6 7 1 6 8 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 1 1 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 1.00783 12.00000 15.99491 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 1.00783 1.00783 10531.9890 29365.9376 39004.4764 0.99996 -0.00866 -0.00027 0.00866 0.99996 -0.00117 0.00028 0.00117 1.00000 1 0.00822 0.00295 0.00222 0.17136 0.06146 0.04627 7.20 20.85 30.69 44.44 59.21 82.87 89.39 111.07 117.89 130.74 138.83 155.80 191.20 202.00 225.20 249.56 260.28 284.05 291.34 317.38 334.96 365.19 391.74 402.43 407.29 434.36 446.24 468.30 474.95 499.71 516.38 548.93 557.17 574.04 619.09 650.34 653.95 672.04 685.80 691.82 699.75 740.04 764.21 779.17 793.42 805.21 816.85 863.60 907.02 926.35 975.41 1013.31 1050.18 1112.12 1173.42 1187.05 1208.21 1218.90 1223.70 1252.09 1270.72 1293.75 1305.31 1313.51 1319.64 1343.52 1352.34 1375.99 1387.84 1406.63 1411.48 1435.03 1455.21 1460.20 1468.04 1472.68 1481.86 1494.87 1500.50 1527.63 1616.13 1621.96 1633.89 1641.03 1652.31 1661.52 1673.85 1675.05 1692.94 1707.78 1719.14 1726.44 1740.14 1748.29 1773.52 1786.32 1798.32 1809.06 1823.76 1837.08 1844.43 1862.77 1875.67 1890.14 1900.14 1912.32 1934.37 1940.52 1944.38 1950.25 1959.36 1978.37 1986.14 2007.46 2014.50 2021.99 2039.21 2063.76 2067.00 2075.38 2076.24 2077.54 2091.06 2111.03 2125.31 2155.24 2163.54 2166.96 2172.78 2175.01 2184.45 2187.38 2192.10 2197.52 2200.84 2204.37 2209.27 2216.75 2226.07 2246.13 2248.07 2250.48 2261.16 2267.92 2281.93 2311.38 2320.12 2342.86 2346.43 2347.91 2352.95 2353.78 2354.72 2356.30 2362.39 2363.44 2365.66 2368.06 2368.90 2381.68 2382.42 2384.47 2404.72 2425.23 2500.50 2565.58 2698.24 2881.55 4507.38 4539.42 4550.79 4552.80 4567.24 4568.41 4572.07 4576.14 4577.94 4582.02 4587.14 4590.68 4591.18 4592.40 4603.73 4604.29 4612.13 4613.87 4619.73 4623.77 4624.09 4660.74 4663.10 4665.56 4668.39 4680.79 4682.31 4687.55 4701.71 4713.74 4719.01 4728.34 4732.51 4742.54 4772.93 5342.05 5345.76 5411.97 5515.32 0.678518 0.707350 0.708294 0.614615 -1427.739509 -1427.710677 -1427.709733 -1427.803412 3.142009D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE CC(C)OCCCNC(=O)c1c2c(nc3ccccc3n2)n4c1[nH]c(=O)c5c4cccc5 C11692081 RHF 6-31G(d) (6D,10F) C1 445.305290 |X|Y|Z| 75.927881 128.340469 21.326261 59.232474 21 6 7 17 4 |36.858105| |12.524750|36.858105| |7.546466|12.479136|36.858105| |8.113489|13.544484|7.851588|73.516695| |5.248570|7.977530|6.139187|24.247307|36.858105| |4.103776|5.176666|4.296088|14.334680|12.534231|36.858105| |3.160322|3.881840|3.458366|9.079314|7.535022|12.488161|36.858105| |2.697290|3.121616|2.821173|7.048612|5.015799|7.800303|13.167276|53.358707| |2.298927|2.612802|2.397081|5.601267|3.852423|5.147079|7.774640|19.191196|36.858105| |2.204874|2.526120|2.329286|5.269008|3.670463|4.529485|6.861565|11.530230|15.623632|73.516695| |2.040524|2.253162|2.087821|4.745502|3.089261|3.981364|5.089119|10.906526|13.070621|14.420048|36.858105| |2.023093|2.185418|2.023129|4.619925|2.889165|3.737833|4.290483|8.649889|7.128081|9.011871|12.669318|36.858105| |1.741861|1.862422|1.749957|3.829722|2.358580|2.889331|3.266819|5.907298|5.037702|7.265640|8.119474|12.489093|36.858105| |1.658167|1.741178|1.634861|3.550637|2.131351|2.566809|2.767474|4.761031|3.789307|5.667955|5.228344|7.767862|13.207490|53.358707| |1.722796|1.800742|1.701996|3.690772|2.184694|2.638216|2.761609|4.685011|3.500705|5.181352|4.510567|6.770193|8.120432|17.623402|36.858105| |1.616970|1.660857|1.570851|3.357999|1.945732|2.292613|2.332107|3.786560|2.783274|4.258593|3.371456|4.541099|5.119226|10.477763|12.482150|36.858105| |1.627275|1.661043|1.587048|3.345169|1.910250|2.223930|2.213578|3.501688|2.498958|3.851721|2.897628|3.726606|3.916285|6.777511|7.562349|12.428144|36.858105| |1.847156|1.880715|1.791461|3.839773|2.167690|2.554870|2.474600|3.899464|2.675014|4.063664|3.017423|3.899876|3.737840|5.957917|6.451674|7.498032|12.429754|36.858105| |2.014536|2.096223|1.996608|4.373969|2.521347|3.074162|3.018257|4.926602|3.306219|4.858276|3.770141|5.092331|4.554889|6.726766|7.550004|6.429455|7.499460|12.428488|36.858105| |1.997147|2.096362|1.964087|4.403677|2.602551|3.259977|3.331570|5.806004|4.044748|5.737342|5.008058|8.052111|6.792918|10.224516|12.284579|7.546869|6.450588|7.560883|12.482132|36.858105| |2.142419|2.310521|2.161453|4.948004|3.039611|3.983580|4.312110|8.309610|5.700735|7.461825|7.360196|13.121181|7.790651|8.762187|7.527320|4.947037|4.378463|4.977596|7.687548|12.971433|53.358707| |1.665819|1.787985|1.674723|3.636005|2.264231|2.723375|3.162113|5.581908|5.188274|8.024682|8.311546|8.205019|13.067239|10.353321|5.111942|3.834690|3.056227|2.925511|3.400926|4.562038|7.165725|53.358707| |1.801386|1.966364|1.834155|4.032908|2.580315|3.149069|3.871337|7.111978|7.674347|11.804741|14.018667|8.384857|8.451129|7.269965|4.195640|3.223202|2.706721|2.702045|3.214619|4.177797|7.217637|18.876639|36.858105| 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|1.430904|1.539657|1.464876|3.048304|1.899479|2.176050|2.533700|4.097701|3.746009|6.646090|4.691375|4.105154|5.139575|5.606882|3.249948|2.709824|2.296928|2.177740|2.434759|2.929639|4.435000|10.512644|6.889443|10.697222|0.158600|12.574380|14.118377|36.858105| |1.481656|1.579957|1.491005|3.155115|1.945526|2.266647|2.588327|4.302741|3.856412|6.432416|5.211746|5.054563|7.235610|7.942416|4.120058|3.361053|2.712989|2.523727|2.809175|3.531661|5.187685|17.684511|7.726585|9.285617|0.139482|7.536381|9.423680|12.390957|36.858105| |1.376484|1.456168|1.386324|2.889284|1.755962|2.023900|2.254040|3.671706|3.120682|5.155940|4.039852|4.268593|6.332750|8.272490|4.362246|3.676577|2.931606|2.610708|2.829461|3.463578|4.786292|10.308241|5.103363|6.122966|0.101131|4.931356|6.976986|7.601483|12.440570|36.858105| |1.247582|1.314458|1.256192|2.575791|1.557287|1.760112|1.944559|3.071406|2.577406|4.398481|3.139198|3.200928|4.206418|5.664221|3.283800|2.957179|2.454168|2.192731|2.319149|2.719394|3.732064|6.740891|3.857585|5.070209|0.086715|4.363839|6.656593|6.507281|7.571612|12.429496|36.858105| |1.215995|1.289809|1.238914|2.513991|1.531511|1.714228|1.917787|2.987877|2.538101|4.457775|3.004661|2.904202|3.626217|4.587933|2.777548|2.476319|2.126093|1.948298|2.087208|2.405995|3.407509|5.967475|3.728054|5.259310|0.090692|4.917596|7.832173|7.576746|6.428591|7.493422|12.451289|36.858105| |1.288370|1.375696|1.314361|2.688022|1.655859|1.858501|2.117156|3.309628|2.899551|5.225979|3.417295|3.128081|3.787079|4.536848|2.717751|2.375574|2.041224|1.914644|2.084030|2.434147|3.555010|6.784602|4.477963|6.918147|0.115749|7.531056|11.971165|12.458892|7.518721|6.428124|7.538338|12.454958|36.858105| |17.550216|8.815056|6.863813|10.251628|4.248518|3.384931|2.740086|3.218620|2.058468|3.551544|1.840557|1.818214|1.587577|2.063110|1.568879|1.481207|1.492001|1.676771|1.810934|1.793394|2.601860|2.079519|1.645771|2.145604|0.046066|1.417371|2.426488|1.332285|1.372400|1.279498|1.168081|1.142361|1.208506|0.500000| |17.575826|8.851422|5.499523|13.098730|5.046351|4.151853|3.190459|3.754382|2.358425|4.014775|2.097653|2.085929|1.788525|2.325515|1.764237|1.660238|1.657650|1.877979|2.038384|2.046176|2.974693|2.336694|1.854736|2.395447|0.051447|1.562938|2.656276|1.463909|1.524318|1.409956|1.277112|1.240421|1.317604|0.300288|0.500000| |17.556559|8.852443|6.860108|12.974501|4.765364|3.963626|3.036146|3.607915|2.247459|3.778884|2.022695|2.037927|1.756367|2.292826|1.772340|1.672610|1.702952|1.955294|2.124492|2.069047|2.988817|2.259455|1.779791|2.278363|0.048560|1.494133|2.528621|1.415758|1.474100|1.379742|1.247279|1.210286|1.274221|0.300390|0.301189|0.500000| |8.909245|17.481624|8.881295|16.607044|7.526693|4.844850|3.844845|4.155633|2.606277|4.580519|2.224283|2.121403|1.816736|2.299973|1.724793|1.588017|1.572559|1.758347|1.954412|1.984517|2.990169|2.408081|1.959547|2.577066|0.056482|1.673923|2.871061|1.541789|1.571219|1.438507|1.304597|1.286731|1.381172|0.212620|0.214562|0.173960|0.500000| |6.862755|8.838190|17.552409|12.626721|5.421787|4.140910|3.304978|3.771911|2.341359|3.981198|2.069953|2.038005|1.764903|2.258819|1.749202|1.620542|1.655954|1.888096|2.103054|2.031521|3.017520|2.271774|1.812201|2.334982|0.050128|1.533902|2.604003|1.449492|1.483548|1.389914|1.256107|1.233463|1.299998|0.169143|0.140539|0.204543|0.173700|0.500000| |5.481145|8.750755|17.566852|12.391446|6.570860|4.476878|3.753101|4.059909|2.538607|4.432173|2.180322|2.079443|1.798691|2.261918|1.722560|1.574650|1.584060|1.777734|2.001891|1.981296|3.012223|2.353264|1.911433|2.501376|0.054522|1.637162|2.800756|1.524186|1.538225|1.425101|1.290502|1.280370|1.363359|0.140347|0.122958|0.140103|0.212319|0.301092|0.500000| |6.880260|8.813902|17.547037|10.083623|4.693500|3.493438|2.932226|3.333114|2.129632|3.717250|1.875825|1.818296|1.593858|2.038335|1.552849|1.444842|1.460247|1.634038|1.797734|1.768938|2.620742|2.089065|1.671189|2.192478|0.047393|1.451025|2.492546|1.360154|1.379971|1.287556|1.175280|1.161695|1.230322|0.205314|0.140724|0.169436|0.212352|0.300419|0.302156|0.500000| |4.946985|7.252666|5.414026|16.556611|17.482319|8.840458|6.851545|6.305734|3.755667|6.643477|2.981637|2.730405|2.256106|2.770537|2.049810|1.833104|1.780626|1.989067|2.282176|2.394264|3.780152|3.012826|2.541029|3.332189|0.074756|2.095305|3.561352|1.888413|1.919140|1.717506|1.534618|1.517522|1.654298|0.115598|0.137682|0.118510|0.230382|0.126760|0.161050|0.123211|0.500000| |4.604494|7.010511|6.646302|16.476487|17.509841|8.855566|6.907929|6.334351|3.672325|6.318307|2.957648|2.740239|2.274189|2.782312|2.103232|1.868179|1.846585|2.084855|2.433133|2.479368|3.957392|2.971026|2.488700|3.216575|0.071257|2.038150|3.440386|1.866952|1.889482|1.715576|1.526353|1.512035|1.630948|0.108548|0.117254|0.119124|0.183051|0.162475|0.228171|0.138186|0.301710|0.500000| |3.980046|4.838673|4.252487|13.161842|8.949496|17.524212|8.827847|9.631554|4.716276|7.129313|3.881777|3.831552|2.956914|3.614491|2.814523|2.441451|2.413845|2.843580|3.500696|3.581918|5.952155|3.673870|3.050375|3.698679|0.079709|2.282282|3.723953|2.131798|2.240616|2.034675|1.759478|1.702121|1.821680|0.091096|0.109047|0.112434|0.119064|0.120654|0.121491|0.095305|0.174171|0.212813|0.500000| |4.160378|4.881722|3.854210|13.053797|8.920302|17.556439|8.857418|9.661277|4.946555|7.678088|3.964878|3.824445|2.929521|3.598845|2.695927|2.367255|2.272915|2.613518|3.093001|3.345165|5.417072|3.770896|3.166865|3.900047|0.085246|2.374869|3.896646|2.173053|2.299500|2.044501|1.777355|1.715396|1.861097|0.094537|0.123676|0.110975|0.128915|0.103216|0.106928|0.089629|0.213191|0.174092|0.302913|0.500000| |3.063784|3.749083|3.282128|8.339126|6.831675|8.820638|17.623604|12.612768|7.324361|13.557773|4.744895|3.871268|3.044881|3.524929|2.522354|2.157676|2.028020|2.227500|2.645591|2.947748|5.019964|4.174371|3.805881|4.985328|0.117671|2.930397|4.876379|2.535156|2.554118|2.193714|1.915807|1.905652|2.133015|0.074830|0.087228|0.079791|0.108082|0.084860|0.098851|0.078950|0.203466|0.169994|0.173117|0.211900|0.500000| |2.997686|3.747524|3.536389|8.402064|6.910470|8.829452|17.500478|12.383182|6.578511|11.044862|4.568352|3.847825|3.056120|3.519461|2.603042|2.202080|2.115833|2.352547|2.869256|3.084365|5.389543|4.022195|3.588313|4.566808|0.103958|2.753355|4.541159|2.461698|2.463657|2.172557|1.887018|1.881921|2.068460|0.073301|0.081784|0.080467|0.102687|0.094142|0.110811|0.083150|0.170557|0.208455|0.210203|0.173376|0.303709|0.500000| |2.693810|3.054786|2.778408|6.960032|4.672951|7.321848|8.998797|25.994512|9.432459|10.862364|7.652736|7.384852|4.719348|5.258599|3.965318|3.142222|2.926914|3.350353|4.433879|5.284790|11.190114|5.639620|4.954680|5.435940|0.114867|3.135546|4.873157|2.917710|3.153088|2.757752|2.278054|2.179006|2.366051|0.065249|0.076352|0.075082|0.081002|0.077521|0.080401|0.066828|0.115333|0.120516|0.214456|0.190620|0.180952|0.198314|0.500000| |1.657325|1.688104|1.579756|3.415236|1.965298|2.317616|2.329330|3.765749|2.752294|4.221825|3.292079|4.410680|4.722721|9.428782|8.860427|17.482603|8.825419|6.727445|5.653364|6.850916|6.302057|5.037737|3.145369|3.535816|0.066253|2.387808|3.705573|2.600331|3.238649|3.425766|2.805961|2.355173|2.292780|0.042108|0.047676|0.047560|0.044904|0.045142|0.043727|0.040409|0.051679|0.051843|0.067990|0.067665|0.060333|0.060263|0.086394|0.500000| |1.545543|1.562042|1.492600|3.114015|1.761573|2.020659|1.994309|3.098195|2.213569|3.464305|2.522724|3.139428|3.290475|5.607363|5.506329|8.822094|17.543193|8.817407|5.478885|4.852996|4.834406|3.651969|2.389946|2.788335|0.053242|1.920356|3.048620|2.084772|2.441106|2.645835|2.277271|1.974274|1.886703|0.039569|0.043817|0.044979|0.041133|0.043258|0.041180|0.038387|0.045857|0.047235|0.060478|0.057669|0.051252|0.052959|0.070856|0.214672|0.500000| |1.923022|1.933450|1.817828|3.953932|2.205080|2.600143|2.472321|3.868633|2.632301|4.009047|2.932418|3.770312|3.517557|5.620052|5.620058|6.712755|8.848250|17.504547|8.863362|6.806470|6.301212|3.842420|2.625119|3.012335|0.058540|2.001272|3.171234|2.094606|2.435069|2.478097|2.099811|1.865391|1.849179|0.048338|0.054843|0.056649|0.050174|0.053122|0.049673|0.046101|0.056388|0.058119|0.079833|0.075450|0.062245|0.064315|0.091943|0.196255|0.215868|0.500000| |2.254418|2.345898|2.227565|4.976701|2.831840|3.495911|3.301571|5.281782|3.375269|4.944757|3.663534|4.724666|3.968998|5.560904|5.500241|4.829235|5.471550|8.785789|17.558517|8.887668|9.727916|4.222581|3.047304|3.430234|0.067730|2.213390|3.485653|2.267379|2.563656|2.522798|2.102339|1.923428|1.945914|0.055682|0.063137|0.066780|0.059926|0.065858|0.061679|0.055150|0.069857|0.075506|0.114733|0.097361|0.078887|0.086757|0.135265|0.126681|0.123008|0.215306|0.500000| |1.382368|1.468877|1.409366|2.917652|1.777102|2.048642|2.290359|3.732923|3.151039|5.168371|4.073006|4.307864|6.455710|8.048285|4.548416|3.722845|3.040939|2.704914|2.978079|3.585729|5.013780|9.340475|4.947571|5.843881|0.098203|4.617956|6.593803|6.910232|8.853503|17.509911|8.828418|6.756145|5.676722|0.035680|0.039098|0.038611|0.040154|0.039393|0.040391|0.036293|0.047943|0.048635|0.057747|0.056788|0.061205|0.062142|0.078466|0.093055|0.075168|0.069881|0.073170|0.500000| |1.192328|1.251241|1.201236|2.443292|1.466866|1.648870|1.801408|2.819768|2.319131|3.938206|2.781960|2.896474|3.747743|5.266834|3.182925|2.953431|2.479951|2.177378|2.265907|2.601014|3.493806|5.574338|3.277171|4.251525|0.074630|3.537475|5.542002|4.877865|5.515600|8.858742|17.544959|8.814039|5.492227|0.031073|0.033822|0.033235|0.034383|0.033491|0.034213|0.031281|0.039996|0.040047|0.046111|0.046155|0.049014|0.048798|0.058597|0.076874|0.064475|0.057542|0.056725|0.214597|0.500000| |1.211026|1.288805|1.246228|2.511364|1.532116|1.712056|1.919972|2.983890|2.521470|4.416734|2.970393|2.867159|3.574400|4.463837|2.777212|2.455307|2.139710|1.962302|2.116195|2.408962|3.432596|5.641625|3.603330|5.013144|0.087607|4.564639|7.283863|6.801680|5.605080|6.724843|8.853524|17.498000|8.856604|0.031611|0.034152|0.033554|0.035623|0.034550|0.035887|0.032436|0.041970|0.042311|0.047501|0.047171|0.052603|0.052903|0.060645|0.063867|0.054903|0.051644|0.054078|0.197723|0.215379|0.500000| |1.275421|1.355473|1.287408|2.641807|1.621160|1.814024|2.050537|3.185878|2.774328|5.027086|3.226843|2.975630|3.519243|4.328000|2.581212|2.294951|1.964396|1.846128|1.989581|2.328092|3.365674|6.319866|4.189819|6.546854|0.111475|6.843129|11.574416|8.869589|6.815440|5.636498|6.747250|8.824787|17.523480|0.033272|0.036405|0.034951|0.037925|0.035279|0.036955|0.033553|0.045263|0.044058|0.049089|0.050946|0.057924|0.055093|0.063077|0.062563|0.050853|0.050068|0.051845|0.131212|0.138636|0.173565|0.500000| |2.076919|2.212765|2.013691|4.683913|2.883273|3.731192|4.101582|7.921176|6.199177|8.234934|8.952193|17.443826|8.957249|10.036051|6.284071|4.594665|3.695360|3.894125|4.813743|7.582884|12.745696|9.580962|6.923249|6.508803|0.121688|3.761692|5.523524|3.720256|4.665980|3.937470|3.037960|2.720536|2.934052|0.051704|0.060310|0.058006|0.059794|0.056180|0.056846|0.050404|0.076421|0.074276|0.104483|0.111191|0.105375|0.098909|0.184212|0.132667|0.088232|0.109658|0.126489|0.105618|0.076426|0.073144|0.079772|0.500000| |1.688358|1.814799|1.729843|3.713175|2.290862|2.772714|3.151094|5.570960|4.676212|6.881134|6.972452|8.932190|17.470267|12.715804|7.600396|4.824879|3.901990|3.697810|4.594141|6.273648|9.998621|12.441784|7.058695|6.680890|0.115489|4.326387|6.078315|5.046837|6.373124|6.190952|4.168121|3.692376|3.749475|0.042881|0.047692|0.047449|0.049015|0.048675|0.049684|0.043776|0.060440|0.062389|0.079904|0.076240|0.080623|0.084457|0.123822|0.117272|0.090115|0.093303|0.109905|0.201408|0.105759|0.105593|0.093474|0.175943|0.500000| |1.687146|1.758631|1.633833|3.586756|2.140227|2.578749|2.745245|4.691435|3.707011|5.581336|4.972646|7.209367|9.465765|25.809191|9.316140|7.153668|4.640186|4.182438|4.537687|6.793460|7.851003|9.470581|5.085092|5.262073|0.093597|3.456181|5.090128|3.848665|5.452336|5.337370|3.884569|3.154095|3.178474|0.042795|0.048704|0.047492|0.047537|0.045917|0.045870|0.041637|0.057155|0.056349|0.073312|0.075296|0.072196|0.070059|0.104870|0.209979|0.110928|0.115563|0.107870|0.135276|0.099382|0.083272|0.086838|0.225862|0.183532|0.500000| |1.651535|1.737152|1.663705|3.538021|2.103839|2.510489|2.657446|4.448235|3.346597|5.019040|4.256446|5.872080|7.377123|12.623487|17.493497|8.956130|7.002382|5.850725|7.033971|8.877884|9.189471|6.544553|4.008534|4.296317|0.078891|2.893314|4.359786|3.278810|4.017701|4.431478|3.341512|2.861968|2.749335|0.041955|0.046567|0.047235|0.046198|0.047614|0.047064|0.042220|0.054690|0.057086|0.074808|0.069812|0.067169|0.071165|0.103515|0.174560|0.142171|0.133469|0.142919|0.137152|0.091540|0.081533|0.071076|0.140840|0.234278|0.182484|0.500000| |1.484740|1.525405|1.449461|3.052065|1.773272|2.060292|2.117200|3.398686|2.548825|3.976440|3.085402|3.962747|4.750925|9.749000|8.886942|17.559101|8.783659|5.470548|4.829371|5.498891|5.566606|5.079793|3.064798|3.485160|0.064362|2.429564|3.759299|2.759412|3.445364|3.982322|3.240674|2.641398|2.467583|0.038036|0.042292|0.042478|0.040748|0.041384|0.040462|0.037248|0.046778|0.047544|0.060298|0.058831|0.055036|0.055967|0.076640|0.302916|0.210584|0.138205|0.106484|0.111457|0.092132|0.072606|0.066165|0.110023|0.126918|0.181698|0.215187|0.500000| |1.555041|1.597816|1.543248|3.201024|1.838423|2.123439|2.137011|3.361683|2.417613|3.753296|2.799077|3.509699|3.787511|6.301352|6.806511|8.862737|17.502482|8.848117|6.713768|5.618754|5.620073|4.042915|2.635713|3.035147|0.057612|2.090264|3.287616|2.300235|2.675969|2.950981|2.481428|2.163717|2.052060|0.039762|0.043687|0.045164|0.042057|0.044782|0.043031|0.039503|0.047571|0.049913|0.064115|0.059413|0.054317|0.057562|0.077492|0.173672|0.303724|0.173835|0.138228|0.087343|0.070537|0.061361|0.054251|0.093293|0.109963|0.114678|0.207107|0.215260|0.500000| |1.817406|1.840932|1.773995|3.722794|2.078532|2.403281|2.303068|3.536660|2.409921|3.714113|2.651865|3.278915|3.147683|4.833038|4.853549|5.478516|8.818192|17.543542|8.820464|5.505331|5.603450|3.461931|2.386806|2.775759|0.054115|1.868160|2.978670|1.969392|2.234579|2.317498|1.985315|1.786781|1.751097|0.046019|0.050909|0.053888|0.047540|0.052396|0.048759|0.045085|0.052768|0.056000|0.074831|0.067566|0.057593|0.061603|0.083413|0.138363|0.211107|0.303732|0.210597|0.067118|0.055136|0.050288|0.046841|0.089951|0.088295|0.094087|0.131050|0.122997|0.215890|0.500000| |1.908778|2.005540|1.942994|4.144303|2.412635|2.895647|2.905531|4.692726|3.201116|4.758185|3.645748|4.705349|4.426230|6.294095|6.851951|5.653060|6.728259|8.825225|17.479818|8.857773|9.410830|4.520455|3.147239|3.519758|0.068099|2.319734|3.620051|2.456366|2.784654|2.851718|2.341493|2.126447|2.104416|0.047981|0.053103|0.055803|0.052045|0.056945|0.054623|0.048701|0.060657|0.065919|0.091562|0.078929|0.070649|0.078790|0.115112|0.131049|0.138369|0.173674|0.302916|0.085661|0.064043|0.060779|0.055130|0.117138|0.132757|0.113045|0.210332|0.126681|0.196290|0.214647|0.500000| |2.079273|2.155154|1.984893|4.543394|2.650867|3.334187|3.315748|5.709269|3.924042|5.611269|4.713367|7.307903|5.880446|9.185030|8.885050|7.036218|5.852228|7.001943|8.953285|17.497013|12.642640|5.847647|3.972098|4.235105|0.081096|2.679582|4.110115|2.771539|3.361058|3.229321|2.585266|2.281335|2.329963|0.051652|0.059954|0.059784|0.056728|0.056825|0.055073|0.049716|0.068176|0.068775|0.100311|0.098582|0.082618|0.083083|0.142470|0.210446|0.131081|0.207111|0.215058|0.089722|0.068319|0.062480|0.063009|0.232876|0.140568|0.196685|0.174842|0.142964|0.133485|0.142150|0.174507|0.500000| |2.053193|2.234310|2.131942|4.734566|2.930139|3.743809|4.147378|7.684187|5.398232|7.280773|6.762295|9.402352|7.164060|7.784660|6.756019|4.524083|4.175948|4.641741|7.167976|9.306628|25.803758|6.769492|5.063401|5.179188|0.099595|3.193110|4.801063|3.288805|3.722101|3.509508|2.745354|2.544401|2.632602|0.051205|0.057469|0.058524|0.058977|0.060959|0.061254|0.052807|0.074067|0.079904|0.115309|0.099997|0.097901|0.111159|0.200346|0.112822|0.093977|0.114776|0.182584|0.106054|0.071925|0.072590|0.068043|0.183428|0.222433|0.135499|0.195165|0.107516|0.115323|0.111008|0.210143|0.182534|0.500000| |1.434616|1.551366|1.489129|3.074509|1.921461|2.200785|2.577674|4.169289|3.784718|6.648776|4.726707|4.129181|5.201802|5.535832|3.323066|2.727532|2.347421|2.229272|2.524005|2.997635|4.603462|9.499734|6.503474|9.372858|0.147560|9.153790|11.616172|17.454695|8.931048|7.052618|5.845068|6.944546|8.879680|0.037094|0.040506|0.039556|0.042975|0.041075|0.043239|0.038332|0.052635|0.053000|0.060474|0.060192|0.070619|0.070816|0.083002|0.071258|0.058700|0.058741|0.065087|0.211808|0.130650|0.204681|0.173998|0.099899|0.154919|0.101670|0.096359|0.076963|0.066337|0.056306|0.072142|0.076862|0.098091|0.500000| 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|1.391232|1.460831|1.385546|2.905064|1.748891|2.023935|2.215193|3.616746|2.998851|4.863027|3.879507|4.390251|6.619626|10.344951|5.098523|4.406727|3.339379|2.886248|3.062415|3.806773|4.993739|9.423472|4.637419|5.368906|0.091104|4.079585|5.931545|5.520392|8.831672|17.641683|8.818181|5.480677|4.826492|0.035858|0.039703|0.038895|0.039918|0.038730|0.039330|0.035729|0.047326|0.047174|0.056880|0.057310|0.059530|0.058794|0.076740|0.114050|0.083715|0.076342|0.074598|0.304034|0.213290|0.138882|0.126138|0.116122|0.169544|0.185856|0.138705|0.137382|0.092006|0.070121|0.084407|0.099568|0.099360|0.143368|0.213729|0.500000| 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