Version2.1 2021-01-13T07:03:13Z 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 COc1ccc(c(c1)OC)[C@H]2CCC[NH+]2CC(=O)N[C@@H](c3ccc(cc3)F)c4cccs4 C10131582 RHF 6-31G(d) (6D,7F) COc1ccc(c(c1)OC)[C@H]2CCC[NH+]2CC(=O)N[C@@H](c3ccc(cc3)F)c4cccs4 C01[X(C25H28F1N2O3S1)] 174 C1 540 COc1ccc(c(c1)OC)[C@H]1CCC[NH+]1CC(=O)N[C@H](c1cccs1)c1ccc(cc1)F COc1ccc(c(c1)OC)[C@H]1CCC[NH+]1CC(=O)N[C@H](c1cccs1)c1ccc(cc1)F COc1ccc([C@H]2CCC[NH+]2CC(=O)N[C@H](c3sccc3)c4ccc(F)cc4)c(OC)c1 InChIKey=UDIWOCKGVDVDOY-BWKNWUBXSA-O InChI=1S/C25H27FN2O3S/c1-30-19-11-12-20(22(15-19)31-2)21-5-3-13-28(21)16-24(29)27-25(23-6-4-14-32-23)17-7-9-18(26)10-8-17/h4,6-12,14-15,21,25H,3,5,13,16H2,1-2H3,(H,27,29)/p+1/t21-,25+/m1/s1 InChI=1/C25H27FN2O3S/c1-30-19-11-12-20(22(15-19)31-2)21-5-3-13-28(21)16-24(29)27-25(23-6-4-14-32-23)17-7-9-18(26)10-8-17/h4,6-12,14-15,21,25H,3,5,13,16H2,1-2H3,(H,27,29)/p+1/t21-,25+/m1/s1/fC25H28FN2O3S/h27-28H/q+1 COc1ccc(c(c1)OC)[C@H]2CCC[NH+]2CC(=O)N[C@@H](c3ccc(cc3)F)c4cccs4 C01[X(C25H28F1N2O3S1)] 174 C01 540 COc1ccc(c(c1)OC)[C@H]1CCC[NH+]1CC(=O)N[C@H](c1cccs1)c1ccc(cc1)F CO[C]1[CH][C]([CH][CH][C]1[C@H]1CCC[NH]1C[C]([NH][C@@H]([C]1[CH][CH][C]([CH][CH]1)F)C1=[CH][CH]=CS1)=O)OC CO[C]1[CH][CH][C]([C]([CH]1)OC)[C@H]2CCC[NH]2CC(=O)N[C@@H]([C]3[CH][CH][C](F)[CH][CH]3)c4sccc4 InChIKey=GYXQALPDHCJSEF-BWKNWUBXSA-N InChI=1S/C25H28FN2O3S/c1-30-19-11-12-20(22(15-19)31-2)21-5-3-13-28(21)16-24(29)27-25(23-6-4-14-32-23)17-7-9-18(26)10-8-17/h4,6-12,14-15,21,25,28H,3,5,13,16H2,1-2H3,(H,27,29)/t21-,25+/m1/s1 InChI=1/C25H28FN2O3S/c1-30-19-11-12-20(22(15-19)31-2)21-5-3-13-28(21)16-24(29)27-25(23-6-4-14-32-23)17-7-9-18(26)10-8-17/h4,6-12,14-15,21,25,28H,3,5,13,16H2,1-2H3,(H,27,29)/t21-,25+/m1/s1/f/h27H 3333.2739219253 -1793.2378881 1-A 19780.0803 120 420 540 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7.4865 7.5045 7.5044 7.5553 7.5761 7.7092 8.4351 9.4758 0.0441 0.2108 0.0728 0.7376 0.9769 1.0220 0.5961 1.7750 0.4064 1.6753 6.2262 10.4493 1.5254 6.1608 2.2726 2.0587 2.0858 1.0440 0.9096 0.9215 2.6240 1.0377 11.2814 4.2516 5.5374 3.3278 4.9383 2.4441 8.6784 1.2024 1.0100 2.6326 2.6698 6.8764 2.2893 17.2054 11.9712 93.1011 3.5094 17.6229 8.1821 29.7043 21.3160 20.5069 18.0301 12.1966 0.7065 2.6543 6.4282 1.5788 5.2026 4.3299 0.8389 6.2737 0.2987 6.2609 43.4206 19.2744 21.5705 3.7415 8.1915 18.1696 42.6968 16.3933 14.8869 1.6134 65.2877 27.5407 65.1927 17.0826 2.6034 18.8891 8.5333 14.3439 0.4682 4.3600 1.2807 8.9981 23.5503 0.0593 4.0421 6.5114 1.8588 61.0807 11.5289 10.2087 51.4977 39.2392 8.1698 1.2280 66.2106 28.5022 13.8682 45.6669 22.6602 2.8841 4.0059 19.0850 49.7794 47.4237 17.2414 12.8508 0.9622 39.7509 49.8685 88.5762 1.8129 271.3821 157.0453 30.6411 116.4974 23.1787 8.1310 17.4321 177.5910 156.4099 47.4737 14.0723 24.1542 3.6094 7.9088 50.3336 72.1855 8.6632 35.6786 19.9824 53.0466 125.3886 7.3021 49.0794 10.0461 8.2099 5.0134 16.0844 32.0234 28.3619 3.9054 122.3426 157.1376 526.1796 132.4029 0.6000 11.3154 343.2829 58.3369 313.0051 38.9101 36.3647 14.3379 11.4799 5.2252 10.3096 1.8118 38.7064 6.1854 30.2229 5.9379 10.8497 1.6944 21.6496 6.0170 25.5313 6.4071 10.2463 4.3002 5.5558 2.6570 1.6886 3.5474 3.3598 0.3619 1.3038 74.0635 57.1710 0.8756 0.4309 1.2519 4.8803 5.9275 1.8662 3.2711 2.8105 0.9363 0.4649 1.0927 1.5192 0.9135 0.0748 1.1105 1.0752 0.3386 0.5285 0.7600 0.7722 2.7292 0.8147 0.4774 0.7112 0.4361 3.3884 0.4533 1.3166 4.0183 4.1717 1.6806 1.7321 0.0941 0.6477 0.2434 0.6643 1.5248 1.1381 4.2490 2.6691 2.8367 1.1939 1.2242 0.6459 2.2358 1.3646 0.9101 4.6653 4.1160 6.7477 4.9208 1.0580 0.7650 2.6070 11.0447 0.5843 3.4046 1.3361 7.5500 4.6825 4.3519 12.5022 1.6758 9.3160 20.3102 3.6441 6.2639 8.0077 2.1084 7.0200 2.2005 2.6801 10.8974 3.2228 3.1499 12.9612 2.2358 0.4411 2.7844 0.1040 0.1349 3.6441 8.3747 7.2458 5.8254 8.4422 1.8553 3.3415 1.2370 12.1307 10.0137 9.1015 4.5016 2.6473 5.3132 4.4643 4.0506 0.6352 8.2557 3.5232 8.5211 5.4756 4.9343 4.2811 9.4270 6.4051 11.1970 2.2628 10.9982 14.5885 17.7570 3.8825 2.0734 1.6109 14.3140 10.5615 5.5521 3.2276 3.5082 6.9808 1.1417 4.8253 5.2356 1.7689 4.4118 7.5199 9.4808 16.1996 79.4851 40.6885 8.1144 15.9343 17.0813 17.7868 15.3906 8.9985 6.1360 5.4553 0.7844 6.9071 18.6128 7.6365 8.5421 80.4408 29.2790 7.5579 106.0161 95.3647 69.1357 84.7307 12.8814 74.5936 30.0883 43.3330 124.0720 43.9265 55.0315 43.6862 27.8796 82.4146 72.6919 101.2555 77.4485 47.6930 39.8255 64.5931 121.4969 128.0865 143.6320 90.1115 66.2763 163.8668 15.4940 25.1288 0.7500 0.7078 0.7423 0.7500 0.7431 0.7211 0.7499 0.7346 0.7393 0.7480 0.7339 0.7460 0.7350 0.5650 0.3260 0.4193 0.3301 0.5047 0.6939 0.6984 0.5535 0.7285 0.1887 0.5426 0.7299 0.2109 0.6438 0.4688 0.2025 0.2839 0.7474 0.6218 0.5597 0.1415 0.4053 0.7345 0.6364 0.3676 0.5497 0.2499 0.5015 0.7016 0.7212 0.4848 0.6525 0.7491 0.6976 0.4395 0.4602 0.7407 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0.4303 0.5874 0.8463 0.7462 0.4349 0.2933 0.4817 0.3600 0.4450 0.3642 0.1823 0.2722 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 6 8 6 6 6 6 6 6 8 6 6 1 6 6 6 7 1 6 6 8 7 6 1 6 6 6 6 6 6 9 6 6 6 6 16 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 12.00000 12.00000 31.97207 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 11364.0269 27249.7807 33973.2390 0.99993 -0.01203 -0.00028 0.01203 0.99990 -0.00729 0.00037 0.00729 0.99997 1 0.00762 0.00318 0.00255 0.15881 0.06623 0.05312 8.74 17.15 21.05 26.92 47.39 50.22 53.25 74.60 92.89 98.62 124.23 133.57 155.65 166.66 219.69 251.99 256.54 270.23 294.35 329.43 341.37 344.60 360.25 386.61 405.92 419.03 433.50 450.01 461.34 514.53 583.34 610.66 653.32 668.55 668.92 683.53 726.51 733.84 761.58 775.16 815.39 839.03 879.83 887.21 901.27 919.13 931.50 962.54 987.15 995.97 1041.91 1045.06 1079.70 1118.78 1142.87 1150.39 1163.40 1171.20 1182.02 1208.29 1249.00 1280.25 1316.44 1328.29 1343.04 1348.09 1366.09 1377.02 1389.55 1404.65 1417.94 1442.34 1465.91 1512.17 1525.61 1542.72 1550.36 1557.98 1577.42 1584.29 1602.67 1614.45 1624.22 1648.95 1656.03 1664.55 1692.20 1706.66 1714.43 1745.36 1764.43 1794.08 1804.33 1806.25 1850.98 1857.60 1859.11 1860.07 1869.49 1892.08 1905.51 1910.44 1927.04 1945.69 1964.01 1972.63 1981.61 1991.17 2015.37 2026.52 2051.72 2058.89 2099.06 2104.01 2114.47 2116.85 2134.47 2142.12 2183.40 2188.36 2194.32 2234.84 2254.28 2272.08 2300.12 2337.57 2342.08 2346.23 2365.12 2365.89 2369.14 2372.67 2375.43 2375.50 2381.44 2384.91 2402.04 2435.70 2444.32 2471.70 2538.13 2547.04 2575.48 2609.49 2618.69 2786.08 4641.05 4652.01 4668.99 4705.90 4707.80 4723.32 4736.82 4744.16 4757.50 4763.11 4779.82 4804.54 4807.49 4816.75 4826.28 4826.62 4828.57 4839.39 4878.51 4879.84 4899.94 4904.04 4908.91 4926.73 4936.39 4961.93 5244.88 5552.67 0.533549 0.561909 0.562853 0.467029 -1792.704339 -1792.675979 -1792.675035 -1792.770859 3.213953D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE COc1ccc(c(c1)OC)[C@H]2CCC[NH+]2CC(=O)N[C@@H](c3ccc(cc3)F)c4cccs4 C10131582 RHF 6-31G(d) (6D,10F) C1 455.180468 |X|Y|Z| 70.461336 38.372557 115.511007 67.847158 26 6 7 16 23 2 1 |36.858105| |13.519868|73.516695| |8.005625|25.456227|36.858105| |6.709557|14.055425|13.709859|36.858105| |4.515206|9.316584|7.993130|13.772929|36.858105| |3.772668|8.210319|6.808486|7.836328|13.745829|36.858105| |3.983767|9.469734|7.917186|6.829774|7.971577|13.538974|36.858105| |5.262874|14.717790|13.650367|7.891992|6.923750|7.874914|13.819029|36.858105| |3.177604|7.208100|5.206457|4.608688|5.299638|8.151286|14.153605|7.945890|73.516695| |3.003005|6.840055|4.519889|3.783187|3.986768|5.222876|7.964805|6.753858|23.977169|36.858105| |2.916400|6.015652|4.426603|4.993570|7.530239|12.651888|7.538117|5.018544|12.257324|4.578987|36.858105| |2.684263|5.603103|4.000106|4.190524|5.617607|8.984903|7.368794|4.813585|14.890765|5.348378|17.683896|0.500000| |2.634193|5.199880|3.657798|4.277757|6.106396|7.276159|5.023858|3.859604|8.254761|3.505593|12.305205|0.244900|36.858105| |2.289162|4.408245|2.991040|3.473240|4.633531|5.097996|3.831275|3.097219|6.521396|2.904304|7.680401|0.173679|12.345229|36.858105| |2.236566|4.369788|2.960314|3.327298|4.351139|5.092357|3.983622|3.157571|7.079812|3.116232|7.916328|0.192554|7.846035|12.511170|36.858105| |2.646059|5.310698|3.747607|4.241502|5.897858|7.591513|5.473954|4.083047|9.316681|3.812065|12.464566|0.254911|7.896776|8.078646|12.736548|53.358707| |2.810546|5.536741|3.914967|4.659712|6.587395|7.282020|5.106333|4.039574|8.087932|3.429570|9.108898|0.182127|6.874540|7.285171|9.372747|25.612976|0.500000| |2.541336|5.172364|3.557993|3.759863|4.718442|6.038505|5.273923|4.032629|9.785717|4.126780|7.489290|0.202034|5.055325|5.098318|7.595255|17.543923|0.265742|36.858105| |2.383373|4.697371|3.116537|3.340308|3.975135|4.471534|3.967544|3.337497|7.009126|3.219759|5.006070|0.129436|3.944403|4.285852|6.059703|10.683836|0.223088|12.464666|36.858105| |2.437659|4.689575|3.103814|3.468494|4.146896|4.333133|3.673370|3.175732|6.172824|2.853027|4.739980|0.115741|3.974539|4.478813|5.962504|9.961998|0.252346|8.090300|15.826884|73.516695| |2.153601|4.228770|2.718350|2.813413|3.190469|3.558204|3.369297|2.935307|6.173429|2.997172|3.859069|0.105300|3.154944|3.381041|4.511518|7.133556|0.143155|7.846166|14.304129|15.027106|53.358707| |1.970793|3.780035|2.366467|2.457140|2.703872|2.881607|2.738066|2.482381|4.917202|2.466776|3.045068|0.082162|2.624204|2.845622|3.579128|5.322408|0.111667|4.979227|7.740607|11.934397|17.645624|36.858105| |2.085947|3.956407|2.472300|2.603331|2.840830|2.939356|2.755368|2.535646|4.803050|2.395343|3.032500|0.079784|2.630742|2.845102|3.486650|5.284541|0.116206|4.703012|7.416610|13.431128|12.643732|17.637007|0.500000| |1.875395|3.603158|2.208097|2.229876|2.384213|2.543257|2.512358|2.333742|4.575780|2.381329|2.615232|0.072045|2.256366|2.373921|2.878271|4.299263|0.088636|3.980724|5.224040|8.069969|10.669368|12.502990|0.248606|36.858105| |1.999750|3.835840|2.315823|2.305302|2.401739|2.523897|2.541098|2.427494|4.554541|2.405713|2.500517|0.068426|2.144753|2.203124|2.598038|3.987589|0.083496|3.621091|4.527736|7.259675|8.110799|7.589677|0.202944|13.689471|36.858105| |1.865674|3.569273|2.112581|2.066566|2.117106|2.222618|2.283639|2.220734|4.132225|2.248598|2.183945|0.060483|1.893805|1.922670|2.221268|3.365824|0.069659|2.981517|3.475283|5.628046|5.872512|5.018268|0.133162|7.882811|13.780713|36.858105| |1.668705|3.192009|1.888683|1.847156|1.906071|2.019528|2.076401|2.001397|3.825021|2.103758|2.019556|0.056659|1.771256|1.808392|2.089361|3.092246|0.062992|2.721397|3.098309|4.974650|5.264851|4.447282|0.111898|6.899883|8.026773|13.808149|36.858105| |1.591183|3.047757|1.824311|1.802582|1.891209|2.022689|2.054634|1.943014|3.826789|2.082879|2.071052|0.058461|1.826375|1.892291|2.217508|3.216873|0.064825|2.850355|3.276194|5.184206|5.762285|4.979767|0.117164|7.894481|6.880912|7.900930|13.830627|36.858105| |1.673634|3.211770|1.952200|1.956360|2.087567|2.243133|2.237339|2.078512|4.155799|2.206196|2.335676|0.065541|2.048733|2.158040|2.591904|3.747355|0.075571|3.393536|4.113634|6.380156|7.825115|7.458407|0.156963|13.712537|7.961972|6.863709|8.011565|13.750611|36.858105| |1.561917|2.974884|1.737258|1.685254|1.720584|1.815048|1.882720|1.837273|3.472190|1.943780|1.803166|0.050779|1.596553|1.617465|1.838208|2.703342|0.054953|2.328578|2.569538|4.183542|4.180907|3.397487|0.087806|4.663844|5.322303|8.180836|14.391507|8.181173|5.315007|97.533100| |1.750989|3.319950|2.069202|2.172318|2.407870|2.549673|2.385609|2.155436|4.305756|2.168460|2.776803|0.075163|2.497966|2.809498|3.521731|4.824147|0.100113|4.189869|5.914985|9.957977|10.522637|12.567023|0.251276|7.438011|5.039632|3.860324|3.704752|4.368802|6.356492|6.663351|36.858105| |1.622402|3.030602|1.864467|1.965284|2.147472|2.223518|2.079504|1.911828|3.709888|1.890229|2.388704|0.064212|2.208808|2.487405|2.980131|4.014156|0.084696|3.299854|4.355738|7.911677|6.940909|7.445329|0.191743|5.713612|4.318013|3.481673|3.377233|3.906765|5.218205|6.242488|14.163936|36.858105| |1.479043|2.754271|1.691051|1.785121|1.957330|2.030642|1.893675|1.735711|3.401424|1.740512|2.215102|0.059978|2.100784|2.401607|2.835701|3.660153|0.076046|2.914637|3.609981|6.536348|5.474369|5.024519|0.128824|4.168885|3.310573|2.823751|2.827903|3.291708|4.141989|5.420527|8.197213|13.254329|36.858105| |1.475341|2.770114|1.713587|1.806013|2.005546|2.116797|1.969557|1.779309|3.587975|1.828051|2.364873|0.064824|2.250835|2.610209|3.150482|3.933979|0.079692|3.138544|3.780625|6.610745|5.701678|4.793557|0.117156|3.937314|3.096216|2.660833|2.697660|3.184375|4.017608|5.199485|7.666698|8.233804|14.190331|36.858105| |1.645388|3.139520|1.969676|2.065986|2.329687|2.525361|2.351698|2.081608|4.349730|2.184321|2.873716|0.079646|2.635709|3.045493|3.931109|4.984041|0.098352|4.240264|5.307979|8.525293|8.571335|6.675981|0.146341|5.003061|3.707566|3.072343|3.079305|3.685704|4.959512|5.775473|10.956072|7.472489|7.469968|11.022084|388.023441| |17.673451|16.981726|5.899206|4.902003|3.624325|3.177667|3.423103|4.439642|5.064485|2.783429|2.542111|0.066239|2.311238|2.034330|2.000508|3.172454|0.068017|2.274777|2.149481|3.877484|2.691613|1.827771|0.053491|1.764109|1.892196|1.790938|1.608065|1.524586|1.587176|3.419343|1.628877|1.517126|1.386598|1.380477|10.885674|0.500000| |17.584974|16.418939|7.019331|6.705450|4.564070|3.713271|3.782347|4.756126|5.387568|2.814062|2.902674|0.073242|2.616621|2.321069|2.286063|3.696558|0.081812|2.616785|2.514035|4.645962|3.081629|2.092278|0.062385|1.981907|2.129750|1.971346|1.744379|1.656770|1.749512|3.654504|1.847860|1.718263|1.554693|1.538739|12.175467|0.299922|0.500000| |17.587599|16.422268|7.039271|6.709165|4.576854|3.725001|3.792898|4.771176|5.393436|2.835180|2.913581|0.073961|2.714397|2.337052|2.230790|3.538242|0.076634|2.435072|2.269753|4.157823|2.771561|1.863554|0.054636|1.758127|1.850000|1.722086|1.554401|1.495637|1.578628|3.274559|1.678449|1.561089|1.435361|1.436750|11.330857|0.299916|0.298285|0.500000| |7.393948|12.468165|8.841098|17.786344|8.950495|5.619727|4.935112|5.610962|6.508076|3.128379|4.089765|0.096530|3.744959|3.173785|2.993818|4.967782|0.113427|3.241993|3.006353|5.692906|3.490570|2.300228|0.068459|2.091407|2.170596|1.954190|1.746222|1.699585|1.838097|3.600657|2.055867|1.889073|1.720736|1.725696|13.801669|0.144970|0.222196|0.221460|0.500000| |3.920731|7.510106|5.689765|9.028738|17.694344|8.926337|5.648913|4.976725|7.582389|3.322531|6.959292|0.140789|6.645059|5.289266|4.656499|8.090463|0.197459|4.457902|3.926336|7.652163|4.233840|2.682570|0.079016|2.324071|2.313057|2.027600|1.833046|1.832423|2.036612|3.716814|2.439504|2.198039|2.017242|2.063631|16.834326|0.089227|0.112962|0.113316|0.219271|0.500000| |4.911774|13.714016|9.002931|5.659768|4.984964|5.597995|8.865924|17.790797|12.564751|7.480551|4.076209|0.113674|3.249119|2.684528|2.762865|4.692804|0.093669|3.534627|2.986388|4.989202|3.701745|2.328881|0.065516|2.242701|2.355608|2.198876|1.992188|1.918442|2.021243|4.161107|2.023212|1.801681|1.639164|1.678594|13.902020|0.122921|0.120569|0.120906|0.124223|0.108045|0.500000| |2.567703|5.617384|3.623152|3.180217|3.415658|4.404368|5.872016|4.923533|16.944210|17.662504|4.229326|0.143206|3.330007|2.826751|3.076241|4.935794|0.088887|3.995635|3.116456|4.842110|4.033815|2.435410|0.064604|2.365883|2.351667|2.212565|2.107926|2.113831|2.233808|4.393683|2.167690|1.883340|1.748776|1.855472|15.839927|0.066808|0.067591|0.068047|0.074995|0.081961|0.146174|0.500000| |3.109217|7.161725|4.566063|3.705950|3.755730|4.669512|6.924824|6.738196|16.400757|17.596256|4.000553|0.123462|3.095472|2.646383|2.874842|4.813857|0.090747|3.975617|3.227485|5.067331|4.182531|2.550649|0.069016|2.514153|2.596224|2.450751|2.269345|2.209575|2.315016|4.729116|2.200700|1.918758|1.748138|1.818519|15.441428|0.081023|0.081524|0.079400|0.085972|0.087126|0.228304|0.299866|0.500000| |3.124403|7.171939|4.616898|3.773619|3.851115|4.815681|7.102485|6.778051|16.420089|17.604331|4.131112|0.129851|3.338641|2.725559|2.820512|4.573422|0.085577|3.467011|2.791803|4.520153|3.525434|2.184416|0.059498|2.109154|2.139525|2.016265|1.891426|1.866728|1.963659|3.973062|1.947411|1.722121|1.597512|1.671535|13.949216|0.081065|0.079212|0.082977|0.087330|0.089278|0.221161|0.299765|0.298594|0.500000| |2.444151|4.839765|3.327465|3.712894|4.901786|5.928549|4.612788|3.593227|8.045472|3.525197|8.843824|0.231946|17.609523|8.716995|6.247718|8.082185|0.141140|4.327025|3.394379|5.924122|3.851087|2.374632|0.065300|2.081824|1.977872|1.770627|1.674120|1.730356|1.922373|3.422568|2.280721|2.027357|1.950718|2.105054|17.396257|0.060403|0.066409|0.070248|0.090979|0.140270|0.086363|0.095165|0.084518|0.094950|0.500000| |2.858918|5.542982|3.915415|4.830190|7.016053|7.093600|4.832995|3.918635|7.449225|3.255885|8.697704|0.177754|17.649721|8.731325|5.811557|8.367867|0.168071|4.244637|3.509794|6.495892|3.869597|2.426144|0.068724|2.104846|2.030678|1.802343|1.676108|1.711587|1.904172|3.418028|2.301694|2.069090|1.963181|2.070601|16.876509|0.068786|0.078751|0.083658|0.119762|0.232723|0.090493|0.084134|0.081006|0.088427|0.304834|0.500000| |2.052905|3.923657|2.602791|2.950714|3.741627|4.083814|3.267047|2.703105|5.721272|2.636523|5.712699|0.143904|8.652378|17.618941|8.805332|7.858006|0.144684|4.173986|3.608927|6.591477|4.065211|2.569176|0.070584|2.175774|2.009493|1.774531|1.689518|1.778579|2.015310|3.423523|2.597658|2.331784|2.303890|2.534349|20.562727|0.051285|0.057455|0.058463|0.076004|0.115726|0.066481|0.072573|0.066582|0.069456|0.222354|0.187482|0.500000| |2.326498|4.387901|2.953707|3.534896|4.665037|4.687093|3.517475|2.950578|5.787872|2.626805|6.160911|0.136572|8.742576|17.571588|8.872023|9.284928|0.200457|4.538979|4.129703|8.191560|4.421596|2.817666|0.080126|2.333555|2.181092|1.896311|1.771004|1.842888|2.101558|3.563968|2.795235|2.521991|2.428323|2.589499|20.930750|0.057170|0.066394|0.066334|0.092388|0.158664|0.070883|0.070153|0.067748|0.069055|0.176735|0.225598|0.303294|0.500000| |2.085081|4.106982|2.748763|2.983248|3.770810|4.567516|3.815521|3.010284|7.206129|3.221512|6.987208|0.201041|6.694263|8.762773|17.607178|12.415011|0.182539|7.132251|5.411159|8.728952|5.937058|3.427978|0.089812|2.828090|2.526398|2.188184|2.091545|2.244021|2.612383|4.155498|3.409353|2.862332|2.766324|3.151060|28.492042|0.052366|0.058579|0.057610|0.074271|0.107603|0.074669|0.091127|0.081473|0.080297|0.169692|0.137124|0.217628|0.173981|0.500000| |2.103766|4.047669|2.689251|3.021265|3.802719|4.201631|3.409312|2.813488|6.010335|2.741078|5.687324|0.141173|5.635124|8.624576|17.658526|12.255194|0.230062|6.784189|6.593594|12.362834|6.671727|4.005916|0.108706|3.094145|2.733754|2.305093|2.169084|2.325624|2.768003|4.257590|4.114226|3.466658|3.313658|3.714522|33.139955|0.052572|0.060455|0.058027|0.077261|0.114626|0.069263|0.075268|0.071909|0.069109|0.130091|0.129226|0.194574|0.218451|0.299428|0.500000| |2.838511|5.962389|4.182775|4.238670|5.186940|6.972018|6.714040|4.978488|12.468415|5.035795|7.254869|0.200125|4.659277|4.317869|5.605969|12.404613|0.215431|17.627826|8.873396|11.532334|9.114617|4.512048|0.121098|3.861106|3.704077|3.095024|2.777228|2.828931|3.272561|5.385116|3.658731|2.958205|2.595854|2.736730|25.314983|0.070292|0.080794|0.074273|0.098389|0.127138|0.120059|0.129819|0.138258|0.113100|0.112918|0.113008|0.099863|0.108973|0.148829|0.138677|0.500000| |2.280555|4.630879|3.113386|3.209882|3.912886|5.008667|4.643797|3.587411|9.412452|4.130063|6.469398|0.200433|4.686600|4.793932|7.232738|12.361404|0.184351|17.630908|8.701951|10.682563|9.723069|4.644137|0.115732|3.849603|3.405705|2.873227|2.705162|2.898185|3.445601|5.234875|4.101449|3.210113|2.909649|3.232663|31.948961|0.057495|0.064411|0.061034|0.077786|0.103188|0.090180|0.117214|0.108416|0.095523|0.118224|0.106912|0.114981|0.114227|0.225638|0.177026|0.301048|0.500000| |2.091082|4.153870|2.657051|2.684057|3.018193|3.456141|3.396540|2.943099|6.490370|3.213522|3.753966|0.106806|3.036332|3.177494|4.193911|6.578933|0.125526|7.475588|9.425897|10.831071|26.023472|8.982792|0.182992|7.476067|5.744564|4.408398|4.096502|4.570006|6.106375|7.319510|6.282158|4.378532|3.623103|3.871356|41.294520|0.053718|0.060331|0.054822|0.067390|0.080289|0.077041|0.090129|0.091986|0.075878|0.077325|0.075381|0.079185|0.082944|0.118482|0.121228|0.187584|0.215392|0.500000| |2.206718|4.217479|2.549631|2.553355|2.636956|2.724002|2.724277|2.631429|4.760329|2.483539|2.641699|0.071029|2.251596|2.297598|2.686952|4.221186|0.090576|3.785832|4.813456|8.015592|7.991465|7.079770|0.221983|8.898424|17.703049|8.969212|5.691829|4.955036|5.651923|9.637160|4.669854|4.065161|3.125391|2.909376|24.528612|0.057643|0.066189|0.056274|0.067004|0.070430|0.070250|0.066228|0.074742|0.061557|0.057046|0.059773|0.057552|0.063842|0.071194|0.078338|0.109520|0.095171|0.148324|0.500000| |1.913247|3.641938|2.122588|2.056551|2.069977|2.149241|2.229258|2.212493|3.991536|2.196709|2.074152|0.057232|1.803987|1.811428|2.058773|3.137721|0.065346|2.725394|3.100191|5.121311|4.980814|4.087702|0.113371|5.607081|8.856867|17.745750|8.954810|5.644476|4.949710|16.725303|3.241454|2.990699|2.477215|2.334107|18.809685|0.051433|0.056321|0.048693|0.054318|0.054809|0.061394|0.059477|0.067166|0.055184|0.046920|0.048128|0.046433|0.049828|0.056081|0.058841|0.079895|0.072312|0.102942|0.214283|0.500000| |1.470013|2.808999|1.674895|1.652885|1.733391|1.855663|1.887635|1.785679|3.538422|1.943312|1.911249|0.054303|1.704567|1.767345|2.053608|2.932483|0.058691|2.554409|2.859559|4.561827|4.863567|4.051072|0.096771|5.614394|4.958637|5.644582|8.966012|17.745981|8.856300|16.727286|3.799378|3.493690|3.091272|3.035890|24.248937|0.039274|0.042280|0.038565|0.043382|0.046757|0.049187|0.055286|0.056881|0.048689|0.045246|0.044361|0.046601|0.047669|0.058272|0.059628|0.070091|0.073233|0.107716|0.107603|0.124623|0.500000| |1.587739|3.041609|1.857374|1.875168|2.022311|2.182743|2.154278|1.979482|4.028254|2.126931|2.320887|0.065459|2.061937|2.205161|2.669210|3.745986|0.074738|3.350341|4.019314|6.244768|7.492781|6.870556|0.142086|8.893386|5.649542|4.949146|5.691989|8.971629|17.738675|9.637820|7.089012|5.735687|4.785973|4.836848|43.246598|0.041751|0.045907|0.041930|0.048966|0.055244|0.053251|0.060397|0.061070|0.052751|0.053995|0.052862|0.057773|0.059371|0.075668|0.080059|0.087261|0.096923|0.162753|0.124009|0.107506|0.214663|0.500000| 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