Version2.0 2020-05-28T19:25:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCCCN([C@@H](CC)c1nc2ccccc2c(=O)n1c3ccc(cc3)Cl)C(=O)Cc4cccs4 C35037600 RHF 6-31G(d) (6D,7F) CCCCCCN([C@@H](CC)c1nc2ccccc2c(=O)n1c3ccc(cc3)Cl)C(=O)Cc4cccs4 C01[X(C29H32Cl1N3O2S1)] 198 C1 612 CCCCCCN([C@H](c1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)CC)C(=O)Cc1cccs1 CCCCCCN([C@H](c1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)CC)C(=O)Cc1cccs1 CCCCCCN([C@@H](CC)C1=Nc2ccccc2C(=O)N1c3ccc(Cl)cc3)C(=O)Cc4sccc4 InChIKey=ABPYVYGTYJDEOL-SANMLTNESA-N InChI=1S/C29H32ClN3O2S/c1-3-5-6-9-18-32(27(34)20-23-11-10-19-36-23)26(4-2)28-31-25-13-8-7-12-24(25)29(35)33(28)22-16-14-21(30)15-17-22/h7-8,10-17,19,26H,3-6,9,18,20H2,1-2H3/t26-/m0/s1 InChI=1/C29H32ClN3O2S/c1-3-5-6-9-18-32(27(34)20-23-11-10-19-36-23)26(4-2)28-31-25-13-8-7-12-24(25)29(35)33(28)22-16-14-21(30)15-17-22/h7-8,10-17,19,26H,3-6,9,18,20H2,1-2H3/t26-/m0/s1 CCCCCCN([C@@H](CC)c1nc2ccccc2c(=O)n1c3ccc(cc3)Cl)C(=O)Cc4cccs4 C01[X(C29H32Cl1N3O2S1)] 198 C01 612 CCCCCCN([C@H](c1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)CC)C(=O)Cc1cccs1 CCCCCCN([C@H](c1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)CC)C(=O)Cc1cccs1 CCCCCCN([C@@H](CC)C1=Nc2ccccc2C(=O)N1c3ccc(Cl)cc3)C(=O)Cc4sccc4 InChIKey=ABPYVYGTYJDEOL-SANMLTNESA-N InChI=1S/C29H32ClN3O2S/c1-3-5-6-9-18-32(27(34)20-23-11-10-19-36-23)26(4-2)28-31-25-13-8-7-12-24(25)29(35)33(28)22-16-14-21(30)15-17-22/h7-8,10-17,19,26H,3-6,9,18,20H2,1-2H3/t26-/m0/s1 InChI=1/C29H32ClN3O2S/c1-3-5-6-9-18-32(27(34)20-23-11-10-19-36-23)26(4-2)28-31-25-13-8-7-12-24(25)29(35)33(28)22-16-14-21(30)15-17-22/h7-8,10-17,19,26H,3-6,9,18,20H2,1-2H3/t26-/m0/s1 4240.5209570699 -2286.9096192 1-A 21798.4489 138 474 612 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|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|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| 13.1813 15.0141 18.3582 21.5110 24.6570 31.7588 39.9175 48.9077 59.3674 64.3001 71.4896 77.3387 85.2454 96.6395 104.5757 118.3616 131.0760 142.4406 147.1017 155.7024 167.8887 178.1187 184.3932 210.0316 234.0651 248.9403 252.2449 263.4986 276.9343 283.7661 303.2663 309.0938 334.7857 335.4402 352.0331 364.5721 388.0342 409.7425 458.7448 466.7718 468.8815 483.3615 485.8841 500.3371 520.1491 528.5112 542.6780 557.4395 588.4347 596.7451 610.8762 618.3536 623.8195 655.4471 672.4278 696.5573 717.0870 733.7608 765.7690 769.0087 781.2056 782.8558 793.4174 797.0705 803.0539 805.2510 809.8654 823.6690 845.8212 866.6450 874.4313 896.7623 899.5751 920.4073 927.9770 941.2955 958.8713 965.5040 967.2556 973.9197 983.3281 999.3001 1000.3691 1041.6792 1047.7556 1062.6467 1076.5809 1083.2785 1093.3564 1102.1190 1105.7941 1107.5100 1117.4697 1120.5468 1123.1077 1126.1678 1129.0465 1132.5204 1141.7277 1147.7177 1181.2279 1188.6898 1207.7380 1208.1119 1213.3092 1226.7928 1232.8713 1234.4932 1248.4441 1258.3068 1265.0091 1265.4495 1298.3325 1331.3516 1332.3889 1335.6354 1339.0562 1344.0589 1374.9583 1379.4796 1390.4946 1393.7204 1417.5358 1420.9124 1437.7952 1440.7812 1445.5248 1452.1118 1455.0974 1457.1057 1462.1119 1479.1016 1489.6751 1520.1451 1521.6910 1528.7957 1546.8926 1558.6040 1560.6055 1566.9956 1568.0289 1571.8896 1606.8441 1616.2333 1630.9696 1633.0077 1634.4890 1637.8545 1639.2528 1644.1313 1645.0479 1648.7040 1649.3329 1650.7626 1652.6885 1657.1557 1674.7308 1676.6967 1773.0339 1773.6548 1775.2434 1804.3189 1814.5329 1852.5343 1955.1232 1959.1089 3176.1863 3182.2222 3190.8286 3196.1158 3199.3574 3201.4302 3206.4053 3215.8113 3225.2042 3227.1079 3230.3097 3254.3399 3256.2161 3261.7450 3262.8825 3263.7126 3275.1142 3290.5861 3300.1632 3314.1667 3352.4935 3365.6695 3381.8605 3383.0471 3383.9925 3393.7838 3401.7688 3403.5746 3406.7009 3410.9886 3411.1026 3441.9928 6.0396 6.0735 6.2792 5.7405 5.3432 6.4386 9.2168 1.5922 3.8731 3.7853 4.1521 4.5898 3.9822 3.1058 3.8530 5.6309 5.2759 1.7683 4.5030 6.0029 2.3601 5.0282 6.6714 1.6848 2.3371 4.8823 4.8923 1.1252 3.2451 4.0049 3.6496 7.4130 4.3233 2.9575 5.2788 4.2563 4.2495 6.5760 4.3790 2.9695 2.8866 5.6944 3.4401 4.2629 4.4682 5.1122 4.6574 6.3538 3.2065 3.8929 3.8813 3.0788 3.9804 8.1658 6.0713 7.0443 5.8028 4.3818 4.7869 4.0088 1.1074 3.7502 3.9708 1.1873 1.1996 4.9110 5.4848 3.0926 1.7807 1.4141 1.5599 2.3897 3.7370 2.6470 3.8505 1.2547 1.7113 2.0145 1.6979 1.5741 2.5910 1.9116 2.1273 1.6320 1.8467 2.1405 3.6248 1.4881 1.2448 1.6489 2.5044 1.3578 3.1498 2.7570 2.6522 2.5911 1.7292 1.3394 2.1715 2.9401 3.3646 2.1181 1.6339 1.8422 2.1686 1.9385 1.8457 2.4062 2.3032 2.6414 2.7257 1.8975 1.1430 1.9112 1.3353 1.9140 2.5008 2.6453 1.3247 3.2782 1.5205 3.2478 1.3289 1.4196 1.5732 1.7598 1.2882 1.3403 1.2821 1.1962 1.1743 2.2318 1.4291 1.6088 1.6496 1.4118 1.8682 2.6678 1.4048 1.3154 1.3613 1.6054 1.2742 1.2902 2.5097 1.0920 1.0841 1.0617 1.0796 1.0417 1.0768 1.2405 3.5904 1.0728 2.5271 1.0980 2.3669 1.1158 6.8905 5.6280 7.0510 5.6467 5.7597 11.2832 12.3260 11.8976 1.0602 1.0597 1.0624 1.0992 1.0388 1.0436 1.1034 1.0626 1.0736 1.0742 1.0999 1.1000 1.0926 1.1037 1.0766 1.1024 1.0999 1.0835 1.0975 1.0929 1.0955 1.0888 1.0913 1.0919 1.0930 1.0912 1.0945 1.0956 1.0958 1.0967 1.0957 1.0995 0.0006 0.0008 0.0012 0.0016 0.0019 0.0038 0.0087 0.0022 0.0080 0.0092 0.0125 0.0162 0.0170 0.0171 0.0248 0.0465 0.0534 0.0211 0.0574 0.0857 0.0392 0.0940 0.1336 0.0438 0.0754 0.1783 0.1834 0.0460 0.1466 0.1900 0.1978 0.4173 0.2855 0.1961 0.3854 0.3333 0.3770 0.6505 0.5430 0.3812 0.3739 0.7839 0.4785 0.6288 0.7123 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7.2544 7.2667 7.3534 7.3627 7.3746 7.4052 7.4625 7.4780 7.4930 7.5182 7.5117 7.6748 0.0248 0.0852 0.3248 0.2088 0.1572 0.5055 0.1100 0.0045 0.1935 0.3175 0.3855 0.7317 0.0284 1.1417 0.6466 4.6620 2.1875 0.0175 0.6319 1.3047 0.2131 0.9873 0.4338 0.1991 0.4514 0.2492 1.9392 0.0025 0.1245 0.7627 0.6890 0.1735 1.0362 2.5579 8.3021 6.4779 6.9685 7.6179 0.7432 0.2852 1.2991 10.6649 5.6981 4.2477 1.4780 7.9827 4.9808 0.2563 33.3353 7.6269 10.7730 0.6367 3.0809 12.4658 3.2005 0.1281 11.6945 21.5400 1.8880 3.8946 3.6564 12.6400 4.5173 0.4601 71.4656 0.3180 4.7156 25.4044 4.1455 10.6325 71.3408 5.1283 2.4238 24.8660 14.8385 0.3328 12.1202 3.9028 16.9152 2.4938 4.8567 3.3574 5.2872 1.7028 2.1113 9.2518 1.9615 1.8103 4.3735 5.0641 17.3990 1.2734 33.0718 3.2376 0.2977 14.0082 1.9719 0.3914 0.4118 6.1019 32.0315 0.4063 35.5630 37.5381 18.5874 9.4777 23.3529 9.3138 24.3741 55.7107 25.2481 89.5513 0.6893 23.6579 13.2431 16.8028 52.9547 21.0759 18.2112 169.4478 69.9056 22.3531 23.0495 29.1126 20.0681 49.7383 0.3432 7.7483 21.6480 8.5436 10.5601 121.1011 8.0212 6.4705 2.8293 7.1816 86.2043 6.2574 7.7960 9.0888 2.7316 14.4916 68.0802 45.2708 29.7952 5.4658 0.3147 1.0735 3.1419 5.2596 8.7839 3.5607 21.3451 6.3034 78.9927 4.2379 121.4382 28.8741 13.4197 2.4692 19.1101 15.9310 90.3370 456.6405 367.2629 482.4438 8.4957 4.7224 73.2030 5.0553 32.9782 35.1379 2.2160 45.8277 9.3070 40.2546 30.7308 36.0119 38.5261 124.6182 34.5248 60.1281 10.7527 29.4781 44.4456 56.3231 12.2939 7.6779 8.6525 11.0961 25.3573 4.3313 12.9667 6.8851 3.5038 1.7261 8.6206 5.1509 1.4292 0.8553 1.3264 2.0185 4.4977 3.2117 2.2752 0.0632 9.6008 3.2292 1.0888 0.7188 0.4784 0.5308 0.7856 0.8758 1.2271 0.0877 1.0189 0.5048 0.2052 2.7818 0.9752 0.1166 0.6243 3.8552 1.5462 0.0287 3.2461 1.0052 0.9840 1.3792 2.0310 2.8322 3.0518 2.6679 1.2904 3.0034 0.2651 0.1384 0.2014 1.2434 0.5769 0.8572 1.5251 2.2279 4.3648 4.8643 1.2315 3.1258 0.6710 0.9285 3.1461 0.8164 6.7353 6.4169 2.4771 4.7556 6.5070 0.4509 0.5807 2.3532 10.4249 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211.65 224.02 241.55 256.27 265.30 302.19 336.77 358.17 362.92 379.12 398.45 408.28 436.33 444.72 481.68 482.62 506.50 524.54 558.29 589.53 660.03 671.58 674.62 695.45 699.08 719.87 748.38 760.41 780.79 802.03 846.63 858.58 878.91 889.67 897.54 943.04 967.47 1002.19 1031.73 1055.72 1101.77 1106.43 1123.98 1126.35 1141.55 1146.81 1155.42 1158.58 1165.22 1185.08 1216.95 1246.91 1258.11 1290.24 1294.29 1324.26 1335.15 1354.31 1379.60 1389.14 1391.67 1401.25 1414.79 1437.77 1439.31 1498.74 1507.49 1528.91 1548.96 1558.60 1573.10 1585.70 1590.99 1593.46 1607.79 1612.22 1615.90 1620.30 1624.45 1629.44 1642.69 1651.31 1699.52 1710.26 1737.67 1738.20 1745.68 1765.08 1773.83 1776.16 1796.23 1810.42 1820.07 1820.70 1868.01 1915.52 1917.01 1921.68 1926.60 1933.80 1978.26 1984.76 2000.61 2005.25 2039.52 2044.38 2068.67 2072.96 2079.79 2089.26 2093.56 2096.45 2103.65 2128.10 2143.31 2187.15 2189.37 2199.60 2225.63 2242.48 2245.36 2254.56 2256.04 2261.60 2311.89 2325.40 2346.60 2349.53 2351.67 2356.51 2358.52 2365.54 2366.86 2372.12 2373.02 2375.08 2377.85 2384.28 2409.56 2412.39 2551.00 2551.89 2554.18 2596.01 2610.71 2665.38 2812.99 2818.72 4569.82 4578.51 4590.89 4598.50 4603.16 4606.14 4613.30 4626.84 4640.35 4643.09 4647.70 4682.27 4684.97 4692.92 4694.56 4695.75 4712.16 4734.42 4748.20 4768.35 4823.49 4842.45 4865.74 4867.45 4868.81 4882.90 4894.39 4896.98 4901.48 4907.65 4907.82 4952.26 0.600127 0.632835 0.633779 0.529550 -2286.309492 -2286.276784 -2286.275840 -2286.380069 3.495858D-04 MUNgauss RevisionA2.0 retrievium 28-May-2020 DUDE CCCCCCN([C@@H](CC)c1nc2ccccc2c(=O)n1c3ccc(cc3)Cl)C(=O)Cc4cccs4 C35037600 RHF 6-31G(d) (6D,10F) C1 521.190377 |X|Y|Z| 72.967547 67.468313 109.188881 81.308510 25 6 7 16 21 3 1 |36.858105| |12.465819|36.858105| |7.472760|12.453454|36.858105| |4.860312|7.455908|12.452452|36.858105| |3.733378|4.856131|7.460723|12.449197|36.858105| |2.966130|3.741617|4.871012|7.510476|12.440664|36.858105| |2.496283|2.978141|3.748002|4.926049|7.524875|13.041220|53.358707| |2.333659|2.713348|3.365153|4.144255|5.896603|7.709953|17.765714|36.858105| |2.444209|2.877885|3.549385|4.451127|6.062705|7.857414|12.798619|17.644739|0.500000| |1.965639|2.236857|2.650328|3.145429|4.026908|5.090322|10.204860|12.330384|0.250312|36.858105| |1.863247|2.137456|2.464816|2.973056|3.604395|4.791457|8.600139|7.440850|0.190866|12.475168|36.858105| |2.391251|2.701270|3.413545|3.902507|5.549954|5.714634|10.466469|12.405162|0.248559|7.518787|4.874455|36.858105| |2.407756|2.685687|3.420226|3.798682|5.414231|5.234959|9.424834|7.909062|0.165751|5.698764|4.071546|15.076016|53.358707| |2.333896|2.513522|3.143710|3.269999|4.288923|3.909459|6.297846|5.147600|0.120934|4.219237|3.206017|8.312868|18.751754|36.858105| |2.253462|2.384884|2.929517|2.974278|3.736683|3.387528|5.289376|3.968990|0.095097|3.414656|2.748512|5.363243|10.821200|13.614831|36.858105| |2.113009|2.175394|2.599135|2.556900|3.049681|2.756300|4.150143|3.149101|0.078353|2.809539|2.326258|4.064528|7.103315|7.948856|13.872357|36.858105| |2.046734|2.082687|2.459242|2.392179|2.801252|2.532513|3.763250|2.963512|0.075587|2.676874|2.214070|3.861073|6.219208|6.836247|7.890541|13.602634|36.858105| |2.104143|2.163681|2.577441|2.533036|3.005189|2.723039|4.069039|3.356180|0.086435|3.005743|2.426845|4.598934|7.014494|7.866289|6.835044|7.947121|13.883728|36.858105| |2.246542|2.375057|2.907995|2.948755|3.677030|3.345426|5.160267|4.451612|0.111670|3.814694|2.934580|6.939556|10.713194|13.731784|7.923107|6.910534|7.954666|13.624363|36.858105| |2.233797|2.389182|2.903758|3.001392|3.714725|3.466382|5.302966|4.977760|0.131539|4.276025|3.222658|7.803375|9.180459|7.761547|5.096203|4.515133|5.099850|7.675505|13.024564|36.858105| |2.110316|2.221287|2.626701|2.666179|3.146154|2.948749|4.365410|3.985547|0.110214|3.604259|2.849433|5.398276|6.450587|5.336097|4.006252|3.808033|4.509988|6.670961|8.081808|15.916128|73.516695| |2.311904|2.554044|3.150142|3.437236|4.463954|4.375019|6.977696|7.563807|0.200360|5.930309|4.141152|13.644434|11.076825|7.006567|4.626378|3.839407|3.963630|5.138819|7.897259|13.582823|14.969105|53.358707| |2.240395|2.485213|2.976130|3.274483|4.003418|4.060625|6.091179|6.507615|0.207847|5.605854|4.224101|7.633160|7.091091|4.586944|3.431726|2.994379|3.129915|3.907977|5.130307|7.946944|12.823642|18.016423|36.858105| |2.508310|2.817881|3.366906|3.702449|4.328094|4.235663|5.757371|5.554531|0.197594|4.533132|3.777229|5.856493|5.932224|3.869027|3.036163|2.685688|2.788759|3.374899|4.199773|5.779359|9.896627|10.610534|13.768915|36.858105| |2.317122|2.581321|2.938493|3.204306|3.506081|3.529760|4.700640|4.273311|0.148803|3.819840|3.435878|4.197267|4.541751|3.028591|2.489875|2.255322|2.348372|2.771926|3.265676|4.228974|7.720268|6.976115|7.929253|13.755645|36.858105| |1.983972|2.179618|2.437970|2.649984|2.905941|3.016625|4.182565|3.827886|0.126730|3.740315|3.421875|3.724118|4.088421|2.758386|2.294497|2.100550|2.199831|2.587818|2.995046|3.857310|7.253568|6.177086|6.905250|7.984735|13.787781|36.858105| |1.841134|2.011054|2.272292|2.472430|2.792335|2.939278|4.285723|4.077754|0.128451|4.250759|3.720533|4.061570|4.401624|2.980311|2.447784|2.236660|2.355338|2.805717|3.279837|4.335859|8.209218|6.975977|7.937915|6.879520|7.915893|13.769435|36.858105| |1.934555|2.119349|2.456605|2.684339|3.161796|3.315346|5.045862|5.148353|0.156313|5.308960|4.167816|5.503427|5.629194|3.767849|2.959708|2.652978|2.798207|3.432417|4.224980|6.047673|10.960062|10.591618|13.761612|7.956335|6.871240|7.978687|13.776034|36.858105| |1.795174|1.951034|2.109483|2.265334|2.388874|2.482040|3.375762|2.913304|0.093366|2.912813|2.826355|2.791985|3.216714|2.203365|1.897169|1.765070|1.842984|2.112810|2.360025|2.871069|5.419647|4.366151|4.233540|4.775267|7.046244|10.941723|7.041959|4.774472|448.794386| |2.271011|2.648986|3.240793|4.030508|5.570648|7.660524|18.913585|7.726599|0.160882|6.273861|5.568365|5.967705|8.648650|4.456016|4.025647|3.121181|2.736366|2.855397|3.518362|3.416981|5.048654|5.682101|3.577720|3.308548|2.795594|2.570366|2.680141|3.123696|17.159216|36.858105| |2.012981|2.290669|2.739272|3.248881|4.249010|5.305688|11.484213|6.810507|0.139703|6.748755|5.743399|5.680051|8.400291|4.488055|4.105163|3.193839|2.792241|2.899422|3.549459|3.408649|5.044980|5.554252|3.460837|3.077526|2.627490|2.484875|2.663823|3.137116|16.639627|15.939501|73.516695| |2.360859|2.774216|3.338343|4.151584|5.290490|6.660963|10.468281|4.957449|0.117648|4.204946|4.070688|4.246944|6.350032|3.658789|3.554983|2.849807|2.469395|2.500618|2.948885|2.806319|4.263258|4.423568|2.866292|2.760844|2.397998|2.196411|2.241026|2.530312|15.102799|12.418026|14.295390|36.858105| |2.080518|2.365337|2.756482|3.209748|3.840691|4.381469|6.857177|3.817637|0.091404|3.506797|3.403077|3.492787|5.380747|3.316434|3.413276|2.796492|2.382946|2.348104|2.687076|2.496432|3.840335|3.785921|2.449875|2.327682|2.052789|1.916729|1.977593|2.220764|13.379061|7.507339|12.281277|12.691009|36.858105| |1.858792|2.093896|2.365384|2.720379|3.106594|3.559133|5.409505|3.184551|0.078298|3.078033|3.126535|2.884575|4.289097|2.725181|2.798323|2.379567|2.068601|2.037747|2.288193|2.157257|3.383384|3.243172|2.152844|2.053596|1.849816|1.750864|1.806218|1.995273|12.431325|5.385991|9.499535|7.464656|14.158471|36.858105| |1.702922|1.878115|2.096497|2.331944|2.619909|2.870974|4.323247|2.684888|0.066516|2.632076|2.624914|2.530873|3.809782|2.521104|2.669266|2.325633|2.010393|1.944821|2.136668|1.986298|3.142319|2.913048|1.929119|1.831504|1.658292|1.581381|1.639030|1.806169|11.310655|4.076036|7.549313|5.038705|8.192135|13.260067|36.858105| |1.750765|1.910190|2.154017|2.350328|2.670273|2.826655|4.279205|2.693265|0.066186|2.596116|2.496656|2.635646|4.096903|2.774327|3.050559|2.654434|2.238516|2.123046|2.313868|2.098989|3.300349|3.028191|1.968658|1.857471|1.665289|1.582185|1.645580|1.830621|11.242054|4.013317|7.498334|4.816096|7.671641|8.242438|14.183090|36.858105| |2.029495|2.239368|2.613885|2.878535|3.421302|3.559617|5.507095|3.338972|0.080073|3.064661|2.833315|3.335544|5.454688|3.601113|4.032881|3.306766|2.694394|2.554020|2.854261|2.533498|3.887798|3.685543|2.326294|2.186041|1.915696|1.792814|1.863333|2.109743|12.504818|5.419845|9.727256|6.730878|10.981482|7.485367|7.473053|11.035709|388.023441| |17.537163|8.773566|6.769777|4.493458|3.619724|2.869106|3.336891|2.347918|0.068768|1.976962|1.855164|2.446762|3.324700|2.399089|2.291292|2.168370|2.136269|2.219999|2.356549|2.364545|4.015437|3.290585|2.357156|2.669263|2.466126|2.093246|1.930517|2.025240|15.160735|2.209329|3.511283|2.245256|1.981575|1.768618|1.625881|1.677409|13.842477|0.500000| |17.538090|8.774734|6.771234|4.493697|3.621798|2.866941|3.341546|2.276558|0.065069|1.922495|1.811482|2.361899|3.307400|2.385219|2.351793|2.218860|2.126173|2.149163|2.272521|2.210795|3.689044|3.078620|2.150742|2.357437|2.154198|1.865272|1.755785|1.862255|13.491944|2.276041|3.599228|2.396053|2.140092|1.904438|1.759118|1.826476|15.116718|0.301720|0.500000| |17.550653|8.774313|5.454821|4.036077|3.163052|2.625717|3.039359|2.094367|0.061002|1.795832|1.723232|2.121738|2.893865|2.061320|1.998553|1.888223|1.835881|1.882338|1.994456|1.992798|3.378727|2.805495|2.020699|2.255249|2.125409|1.841981|1.705660|1.772198|13.611761|2.049813|3.256794|2.139476|1.906993|1.728338|1.591238|1.625651|13.177639|0.301705|0.301704|0.500000| |8.860764|17.509144|8.856845|6.857340|4.528134|3.662687|3.949069|2.690057|0.081059|2.235023|2.160304|2.631950|3.474842|2.371725|2.216267|2.025110|1.962055|2.064098|2.273277|2.339246|3.909630|3.438930|2.526443|2.931932|2.750203|2.301335|2.085616|2.164157|16.715522|2.540031|3.923240|2.612242|2.219677|1.986321|1.776169|1.789377|14.747933|0.210662|0.172951|0.212806|0.500000| |8.861494|17.511168|8.858976|6.856955|4.531788|3.657912|3.956511|2.584855|0.075217|2.157674|2.092566|2.527832|3.455176|2.358402|2.270451|2.065753|1.954299|2.007213|2.198096|2.191063|3.608477|3.200614|2.278546|2.534859|2.338211|2.009728|1.871351|1.969758|14.565532|2.641986|4.045961|2.856487|2.447638|2.183084|1.952647|1.972198|16.305204|0.172948|0.210707|0.212818|0.303975|0.500000| |6.875149|8.858403|17.504309|8.858683|6.871730|4.535175|4.979002|3.235268|0.091443|2.567993|2.364833|3.369132|4.803806|3.309900|3.188951|2.827511|2.619741|2.682156|2.993286|2.879217|4.583645|4.160826|2.797965|3.051234|2.641947|2.238748|2.128905|2.328555|15.554011|3.291219|4.966904|3.477234|2.923884|2.477277|2.216043|2.313354|20.287350|0.169129|0.203949|0.140471|0.173716|0.211748|0.500000| |6.878365|8.859678|17.498187|8.854793|6.856736|4.542799|4.963095|3.448431|0.102556|2.700996|2.463492|3.627998|4.856928|3.347239|3.044091|2.726239|2.638901|2.823014|3.192279|3.243297|5.254650|4.729585|3.300338|3.831233|3.286259|2.665154|2.461720|2.670434|18.258713|3.099608|4.744298|3.060967|2.556123|2.199933|1.967301|2.032351|17.497385|0.204021|0.169247|0.140507|0.211671|0.173744|0.304004|0.500000| |4.533509|6.857159|8.857755|17.490450|8.842550|6.932723|6.264706|4.065363|0.128014|3.141870|3.036739|3.704079|4.695906|2.975826|2.665608|2.322442|2.214790|2.377975|2.761573|2.905660|4.674627|4.591394|3.372941|3.976816|3.548733|2.879824|2.616533|2.778770|19.905393|3.676017|5.373926|3.660787|2.871395|2.496055|2.144807|2.135461|18.134826|0.119619|0.111237|0.108559|0.206963|0.170981|0.173707|0.211724|0.500000| |4.536679|6.867914|8.861442|17.494955|8.849916|6.891260|6.286946|3.723369|0.108002|2.934920|2.855098|3.425686|4.642060|2.946437|2.758636|2.382237|2.201877|2.290259|2.627394|2.632965|4.180413|4.061887|2.839512|3.121039|2.771294|2.360424|2.225450|2.397704|16.529509|4.003011|5.697756|4.439928|3.422526|2.923558|2.478173|2.467367|21.281472|0.111296|0.119650|0.108652|0.171362|0.207318|0.211623|0.173703|0.303928|0.500000| |3.638872|4.515377|6.818282|8.822702|17.547111|8.842117|9.395469|5.283915|0.138945|3.762925|3.320134|5.367323|8.006152|4.736502|4.320526|3.433284|3.040613|3.169463|3.847929|3.658946|5.439943|5.726749|3.597128|3.708758|3.030035|2.584281|2.538419|2.902041|17.236483|5.869646|7.961557|5.935827|4.353749|3.384763|2.872177|2.999817|28.640941|0.096957|0.102445|0.085312|0.111629|0.120169|0.205834|0.169975|0.173276|0.211246|0.500000| |3.656029|4.534812|6.880207|8.859021|17.537738|8.834415|9.241307|6.374474|0.190141|4.206808|3.594547|6.656740|8.286757|4.871366|3.997604|3.270445|3.083436|3.423724|4.320147|4.525339|6.695910|7.581991|4.912062|5.463597|4.135159|3.307938|3.162888|3.656787|21.123964|4.937840|7.115220|4.361166|3.352569|2.760139|2.382490|2.451945|22.071695|0.102884|0.097550|0.085604|0.120331|0.112079|0.172134|0.207544|0.210848|0.173696|0.305323|0.500000| |2.884757|3.648538|4.540810|6.854545|8.863526|17.558904|12.562421|7.359635|0.251351|5.124317|5.088986|5.220135|6.082677|3.465985|2.971207|2.484113|2.340654|2.553899|3.109918|3.360243|5.209085|5.863891|4.316180|4.732139|4.051997|3.401194|3.221579|3.539029|22.396626|5.823119|7.950885|5.022523|3.606148|3.081785|2.533825|2.469632|21.232034|0.078363|0.075700|0.071824|0.103706|0.097790|0.112045|0.121165|0.207827|0.169540|0.173828|0.213406|0.500000| |2.901445|3.688918|4.572588|7.007017|8.872194|17.648967|12.448312|5.678846|0.156296|4.301690|4.337334|4.435204|5.835822|3.357445|3.046326|2.519626|2.295140|2.415128|2.879631|2.921211|4.506119|4.804295|3.313303|3.439635|2.995029|2.623198|2.556275|2.819792|17.912948|7.267372|8.932660|7.803249|4.861498|3.986545|3.114065|2.993406|26.403724|0.076164|0.078433|0.072329|0.099547|0.104729|0.120622|0.112853|0.176636|0.211529|0.208822|0.173963|0.307437|0.500000| |1.862907|2.094176|2.472488|2.873794|3.658871|4.442627|8.953876|8.796420|0.175658|17.687113|8.849881|6.951956|8.116464|4.469313|3.693005|3.005140|2.814359|3.107125|3.915812|4.157160|6.171765|7.306637|4.705760|3.796756|3.225958|3.187503|3.652392|4.550259|20.497725|6.519706|14.708489|4.305958|3.769528|3.302917|2.859555|2.847545|23.919837|0.051908|0.051174|0.047335|0.057452|0.056467|0.067884|0.069607|0.078029|0.075553|0.099332|0.104681|0.117940|0.108329|0.500000| |1.894703|2.130179|2.498703|2.891187|3.591030|4.258412|7.580162|8.944723|0.223649|17.589985|8.922417|6.979318|6.942960|4.044510|3.225401|2.727074|2.678738|3.083708|3.899031|4.654089|7.165092|8.924506|6.832372|5.082068|4.323777|4.436594|5.420423|7.194008|26.648454|4.692556|8.854013|3.424105|2.941427|2.625163|2.303439|2.290845|18.923805|0.053513|0.051240|0.048224|0.059599|0.056526|0.066800|0.072035|0.081430|0.074021|0.092579|0.107915|0.123261|0.100386|0.303160|0.500000| |1.686963|1.907709|2.164248|2.543744|2.996012|3.764988|6.402962|5.455543|0.142400|8.844770|17.555051|4.068375|4.762067|2.876750|2.506306|2.162925|2.076530|2.267531|2.685915|2.943288|4.729644|4.952462|3.759541|3.329113|3.123030|3.236722|3.607289|3.936114|22.073637|4.433280|8.551970|3.432719|3.022981|2.861630|2.464448|2.337303|18.329390|0.046773|0.045655|0.043651|0.053622|0.051966|0.057980|0.060298|0.072201|0.068269|0.077981|0.083588|0.110092|0.097189|0.211355|0.217303|0.500000| |1.933206|2.238718|2.561344|3.129348|3.696896|4.959461|7.977968|6.835461|0.206159|8.754953|17.523034|4.517509|5.042637|2.968589|2.541392|2.177160|2.095243|2.309712|2.773858|3.108089|4.973090|5.456770|4.347013|4.101777|3.856247|3.813609|3.981328|4.257391|25.384268|4.798390|8.189314|3.727955|3.068224|2.829089|2.384056|2.268033|18.253847|0.053544|0.051626|0.049798|0.063809|0.060652|0.066969|0.071278|0.091575|0.082871|0.091404|0.102849|0.159257|0.123755|0.172811|0.210414|0.301898|0.500000| |1.877274|2.166893|2.494296|3.047621|3.688402|5.091067|9.285439|6.615745|0.163002|8.772560|17.602854|4.455983|5.382819|3.102134|2.734444|2.299856|2.149573|2.309958|2.764719|2.930599|4.584816|4.977227|3.587985|3.299396|2.994344|2.920812|3.099338|3.443565|19.861390|6.630024|12.017121|4.854379|3.999094|3.710628|3.005923|2.791608|22.425327|0.051359|0.050974|0.048285|0.060360|0.059738|0.067071|0.067941|0.085154|0.083390|0.095972|0.098129|0.143578|0.135298|0.212544|0.173760|0.302453|0.300722|0.500000| |2.250746|2.406208|2.951045|3.045932|3.842086|3.540447|5.575815|3.933202|0.092969|3.392010|2.788927|4.939183|9.986070|8.930421|17.744916|8.893155|5.608257|4.934620|5.654106|4.154006|5.966117|5.503431|3.111189|2.801884|2.330497|2.150315|2.276755|2.709527|14.439307|4.507396|8.172586|4.114124|4.077331|3.241518|3.105507|3.660211|36.767518|0.062535|0.065697|0.055584|0.061659|0.064659|0.090519|0.082797|0.074784|0.080248|0.127934|0.108947|0.084225|0.090487|0.103200|0.086405|0.070308|0.071053|0.078979|0.500000| |2.017534|2.057552|2.416714|2.361373|2.750942|2.502752|3.720087|2.753052|0.069006|2.494400|2.117471|3.381377|5.743603|5.650706|8.982247|17.713125|8.882481|5.658111|4.971136|3.597993|5.587709|4.316390|2.568245|2.343795|2.007441|1.879891|1.988198|2.312394|12.895089|2.855223|5.202657|2.693570|2.719220|2.340674|2.337070|2.712429|23.608240|0.057059|0.059435|0.050424|0.052960|0.054830|0.073739|0.069379|0.059473|0.062107|0.086508|0.079999|0.062669|0.064849|0.074269|0.066851|0.055063|0.055112|0.058790|0.214428|0.500000| |1.919453|1.925025|2.227570|2.144195|2.446720|2.223657|3.256800|2.542279|0.065776|2.336163|1.973891|3.180235|4.944852|4.933745|5.632593|8.862622|17.727433|8.952832|5.645852|4.135022|6.905921|4.488845|2.723637|2.468391|2.127094|2.010034|2.140841|2.487989|13.757694|2.377185|4.313077|2.183946|2.131533|1.879878|1.846918|2.052336|17.135302|0.055764|0.055543|0.048223|0.050473|0.050310|0.065826|0.066202|0.055508|0.055252|0.073189|0.073981|0.057633|0.056677|0.067953|0.065270|0.051916|0.052176|0.053335|0.123613|0.214542|0.500000| |2.008437|2.045946|2.394253|2.337578|2.706309|2.470622|3.635910|3.026763|0.079952|2.764681|2.267245|3.985846|5.696990|5.632456|4.935171|5.631448|8.905895|17.750128|8.927407|7.125026|13.202543|6.395892|3.817411|3.326666|2.789780|2.635866|2.862684|3.447410|17.382127|2.524731|4.549095|2.225858|2.089210|1.840312|1.758961|1.899454|15.905500|0.059411|0.056548|0.050270|0.054764|0.052513|0.068251|0.073435|0.061919|0.058677|0.077594|0.085791|0.065624|0.061124|0.078286|0.080471|0.059445|0.060584|0.059433|0.107265|0.123924|0.213660|0.500000| |2.916368|3.324590|4.121606|4.493067|5.266864|4.748289|6.067707|5.472341|0.191614|4.156150|3.507232|5.927235|6.247614|4.071049|3.209298|2.817665|2.893576|3.460737|4.313536|5.585085|9.169305|9.767968|8.933186|17.727707|8.930427|5.668803|4.956544|5.657328|31.619668|3.435075|5.517285|2.924456|2.431694|2.119829|1.884102|1.920331|16.285401|0.086983|0.075521|0.071486|0.095896|0.081219|0.101417|0.135601|0.134154|0.100730|0.121367|0.200034|0.145364|0.105002|0.098819|0.121523|0.084720|0.104936|0.088164|0.082500|0.068264|0.070807|0.093183|0.500000| |2.450565|2.735437|3.041078|3.278166|3.414376|3.374410|4.307887|3.702157|0.127194|3.280168|3.058601|3.592309|4.039876|2.716996|2.287581|2.088855|2.164396|2.507702|2.889302|3.572603|6.506329|5.658912|5.641147|8.900858|17.752918|8.925954|5.640647|4.953926|53.820548|2.585698|4.270038|2.278613|1.951504|1.767437|1.585557|1.587826|12.921488|0.072892|0.062283|0.062836|0.082864|0.068246|0.074509|0.094879|0.103758|0.078557|0.081279|0.110011|0.108736|0.080956|0.078187|0.099296|0.077367|0.096079|0.075936|0.060008|0.052186|0.054968|0.070121|0.214752|0.500000| |1.668851|1.808669|2.016248|2.180895|2.433753|2.576354|3.775317|3.481532|0.105903|3.790333|3.433443|3.443137|3.867696|2.655335|2.230082|2.062382|2.173620|2.551756|2.905980|3.686765|7.035512|5.657300|5.645408|4.958392|5.642261|8.923173|17.754714|8.912148|53.812350|2.428663|4.357763|2.052938|1.840578|1.701421|1.555949|1.557762|12.370851|0.048416|0.044383|0.043274|0.052005|0.047129|0.052875|0.060056|0.063781|0.055337|0.062308|0.074991|0.077638|0.063509|0.093193|0.132679|0.096159|0.100618|0.079966|0.057930|0.051408|0.055504|0.072807|0.107638|0.124224|0.500000| |1.796794|1.953270|2.256547|2.451865|2.901359|3.059450|4.806687|4.836118|0.135649|5.391279|4.117837|5.325830|5.665283|3.871239|3.055791|2.752480|2.913006|3.574190|4.364266|6.039536|10.819155|9.752173|8.939471|5.660471|4.953458|5.664948|8.930842|17.744615|31.609038|3.094927|5.718310|2.490879|2.228957|2.010737|1.836579|1.869235|15.234651|0.051974|0.048523|0.045841|0.054857|0.050869|0.060373|0.067384|0.069340|0.061725|0.075873|0.091323|0.088324|0.073428|0.136337|0.208517|0.111728|0.111184|0.094837|0.077354|0.066528|0.071894|0.099587|0.124473|0.107582|0.214737|0.500000| |2.315214|2.755009|3.222290|4.106305|4.891222|6.572507|9.261928|4.527588|0.112872|3.969392|4.132949|3.716750|5.259714|3.103668|2.979413|2.464030|2.185091|2.230041|2.599715|2.537845|3.927934|4.016970|2.701176|2.651589|2.354312|2.162995|2.182263|2.414605|15.081770|8.899609|11.309156|17.549664|9.043005|7.146877|4.691083|4.196155|36.570183|0.060741|0.064520|0.058946|0.073134|0.079963|0.090899|0.081202|0.103655|0.126410|0.141612|0.111161|0.145338|0.244294|0.109314|0.090512|0.096734|0.107923|0.141530|0.092810|0.064971|0.054329|0.056030|0.077591|0.062784|0.055766|0.065467|0.500000| |2.689406|3.204400|3.974542|4.985623|6.449442|7.172397|9.619059|4.681888|0.114706|3.767685|3.552402|4.239484|6.480551|3.807325|3.744946|2.994841|2.577378|2.594729|3.050030|2.867355|4.348233|4.459220|2.867613|2.818827|2.427065|2.184462|2.200256|2.481446|15.001379|8.813491|10.795483|17.584504|8.940280|5.792244|4.357839|4.394165|45.305472|0.070288|0.076568|0.066762|0.081854|0.092189|0.118326|0.098513|0.115339|0.151291|0.222080|0.138802|0.143104|0.234896|0.104919|0.087998|0.083810|0.093352|0.111995|0.120954|0.078696|0.063193|0.063870|0.085107|0.064681|0.055598|0.067115|0.304336|0.500000| |1.811362|2.054796|2.291841|2.670598|2.993096|3.530739|5.261867|3.105751|0.077719|3.052558|3.239235|2.731174|3.934979|2.487744|2.498980|2.146765|1.900777|1.894722|2.129038|2.046732|3.237232|3.105953|2.103653|2.023084|1.844044|1.751931|1.798337|1.964149|12.539294|5.016058|8.679332|6.662467|8.933086|17.729431|8.588434|5.735693|37.782779|0.047803|0.051076|0.047095|0.054738|0.059775|0.065600|0.059098|0.069251|0.080383|0.087883|0.073709|0.086903|0.112318|0.089252|0.072304|0.082654|0.082129|0.109239|0.078428|0.058287|0.048187|0.048002|0.057717|0.049136|0.047195|0.054700|0.207257|0.143500|0.500000| |1.569468|1.719866|1.891614|2.088429|2.303642|2.518870|3.742269|2.377702|0.059722|2.369482|2.400696|2.238291|3.313526|2.220206|2.337085|2.076403|1.820746|1.763938|1.918547|1.798894|2.877353|2.624493|1.760736|1.676861|1.535009|1.473994|1.526527|1.666253|10.649971|3.396464|6.316076|4.026296|5.713929|8.579541|17.744723|8.920043|37.747671|0.041657|0.044921|0.041054|0.045448|0.049748|0.055162|0.049460|0.053982|0.061629|0.069047|0.058692|0.063011|0.075714|0.071079|0.058339|0.063627|0.060977|0.075844|0.074007|0.058179|0.046907|0.044728|0.047666|0.040896|0.040527|0.047123|0.108765|0.098704|0.201568|0.500000| 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