Version2.4 2021-05-26T10:36:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)N2CCN[C@@H](C2)S(=O)(=O)C(C)C)[N-]S(=O)(=O)S(=O)(=O)c3ccccc3 C39481046 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)N2CCN[C@@H](C2)S(=O)(=O)C(C)C)[N-]S(=O)(=O)S(=O)(=O)c3ccccc3 C01[X(C20H26N3O6S3)] 168 C1 544 Cc1ccc(c(c1)N1CCN[C@@H](C1)S(=O)(=O)C(C)C)[N-]S(=O)(=O)S(=O)(=O)c1ccccc1 Cc1ccc(c(c1)N1CCN[C@@H](C1)S(=O)(=O)C(C)C)[N-]S(=O)(=O)S(=O)(=O)c1ccccc1 CC(C)[S](=O)(=O)[C@@H]1CN(CCN1)c2cc(C)ccc2[N-][S](=O)(=O)[S](=O)(=O)c3ccccc3 InChIKey=ZIFQHXGFMISETD-HXUWFJFHSA-N InChI=1S/C20H26N3O6S3/c1-15(2)30(24,25)20-14-23(12-11-21-20)19-13-16(3)9-10-18(19)22-32(28,29)31(26,27)17-7-5-4-6-8-17/h4-10,13,15,20-21H,11-12,14H2,1-3H3/q-1/t20-/m1/s1 InChI=1/C20H26N3O6S3/c1-15(2)30(24,25)20-14-23(12-11-21-20)19-13-16(3)9-10-18(19)22-32(28,29)31(26,27)17-7-5-4-6-8-17/h4-10,13,15,20-21H,11-12,14H2,1-3H3/q-1/t20-/m1/s1 Cc1ccc(c(c1)N2CCN[C@@H](C2)S(=O)(=O)C(C)C)[N-]S(=O)(=O)S(=O)(=O)c3ccccc3 C01[X(C20H26N3O6S3)] 168 C01 544 Cc1ccc(c(c1)N1CCN[C@@H](C1)S(=O)(=O)C(C)C)[N-]S(=O)(=O)S(=O)(=O)c1ccccc1 C[C]1[CH][CH][C]([C]([CH]1)[N@@]1CCN[C@@H](C1)[S]([O])([O])C(C)C)[N][S]([O])([O])[S]([O])([O])[C]1[CH][CH][CH][CH][CH]1 C[C]1[CH][CH][C]([N][S]([O])([O])[S]([O])([O])[C]2[CH][CH][CH][CH][CH]2)[C]([CH]1)N3CCN[C@@H](C3)[S]([O])([O])C(C)C InChIKey=RGKATRQAGNHLDH-HXUWFJFHSA-N InChI=1S/C20H26N3O6S3/c1-15(2)30(24,25)20-14-23(12-11-21-20)19-13-16(3)9-10-18(19)22-32(28,29)31(26,27)17-7-5-4-6-8-17/h4-10,13,15,20-21H,11-12,14H2,1-3H3/t20-/m1/s1 InChI=1/C20H26N3O6S3/c1-15(2)30(24,25)20-14-23(12-11-21-20)19-13-16(3)9-10-18(19)22-32(28,29)31(26,27)17-7-5-4-6-8-17/h4-10,13,15,20-21H,11-12,14H2,1-3H3/t20-/m1/s1 4111.8837859197 -2577.3574575 1-A 20351.7876 132 412 544 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1491.3829 1520.1314 1527.9329 1554.2026 1560.7063 1569.9858 1573.6563 1586.4531 1608.7408 1632.5607 1632.8537 1634.3080 1638.6575 1641.5854 1645.3188 1648.0463 1654.4522 1656.4575 1660.9495 1661.2257 1676.6563 1760.4888 1785.6523 1797.2913 1808.4021 3084.1291 3133.3266 3185.8275 3215.1743 3221.5357 3229.4839 3249.9777 3259.3174 3278.2619 3280.5429 3291.2769 3297.0009 3304.6762 3306.0049 3312.3859 3316.3935 3336.5135 3345.3570 3348.2378 3367.1008 3377.4255 3378.3287 3420.3157 3420.8691 3434.0225 3726.0855 6.8142 5.7552 4.2504 5.2644 4.3969 1.6678 1.9872 3.1491 5.1213 6.2301 5.3949 4.3525 4.2496 5.1520 4.2717 6.6401 8.3395 5.0567 9.7592 1.5290 2.3459 1.8167 4.0955 3.4497 2.2060 3.7540 7.7799 3.5842 7.4779 3.2678 4.4163 4.7316 7.9414 3.4144 4.0510 6.0946 3.4523 2.8956 2.9309 8.8187 3.3319 4.7666 3.2319 3.2069 3.9127 4.4485 9.0819 4.1001 11.7523 9.1051 3.5767 3.9050 6.0545 6.2788 3.9389 9.0323 5.5330 2.1394 5.6570 4.8758 4.8203 4.1307 1.8572 2.6070 3.7926 1.4111 2.5533 1.2480 2.6115 1.4541 1.4334 2.0099 1.1385 1.4941 1.3969 1.7444 1.5875 2.5012 5.8512 5.5265 1.9639 1.3789 1.4209 2.4153 2.1244 2.1536 1.4803 1.7731 1.8087 4.7743 2.2509 3.7566 2.0600 3.0914 4.1119 3.0198 3.9795 4.4065 1.9943 1.1662 1.7450 1.3128 2.0136 1.6724 2.8923 1.8738 2.0109 14.4786 2.4615 9.4122 1.6629 1.4480 1.5673 3.0525 1.3705 1.3623 1.3570 1.6588 1.3360 1.3824 1.2682 1.3408 1.6387 1.2360 2.6810 2.1117 1.0880 1.0465 1.0468 1.0510 1.1158 1.1030 1.0462 1.1707 2.0524 1.0579 1.1203 3.0602 5.6627 5.3649 5.0958 5.3984 1.0755 1.0723 1.0382 1.0388 1.0383 1.1020 1.0636 1.1007 1.0998 1.0975 1.0918 1.0893 1.1022 1.0966 1.1003 1.1006 1.0909 1.0904 1.0871 1.0920 1.0881 1.0966 1.0940 1.0947 1.0928 1.0741 0.0007 0.0010 0.0016 0.0022 0.0025 0.0014 0.0019 0.0037 0.0106 0.0184 0.0198 0.0226 0.0325 0.0596 0.0628 0.1340 0.1841 0.1265 0.2643 0.0457 0.0742 0.0596 0.1382 0.1301 0.0903 0.1622 0.4024 0.1978 0.4268 0.1973 0.2747 0.3275 0.5567 0.2884 0.3579 0.5642 0.3577 0.3100 0.3523 1.1269 0.4626 0.6946 0.5315 0.5488 0.6954 0.8007 1.7197 0.8186 2.4693 1.9835 0.8686 0.9923 1.6189 1.6814 1.1081 2.7745 1.8660 0.7271 2.0142 1.8172 1.8582 1.7186 0.8006 1.2114 1.9200 0.7255 1.3690 0.6696 1.4240 0.8403 0.8532 1.2158 0.7131 0.9789 0.9207 1.1869 1.0826 1.7232 4.0926 3.8683 1.4201 0.9974 1.0498 1.8031 1.6475 1.7220 1.1899 1.4479 1.4953 3.9812 1.9594 3.2868 1.8129 2.7583 3.7110 2.7462 3.6831 4.1958 1.9295 1.1584 1.7522 1.3302 2.0585 1.7735 3.0943 2.0682 2.2527 16.3442 2.8386 11.0425 1.9929 1.7668 1.9541 3.8304 1.7339 1.7461 1.7462 2.1738 1.8190 1.9014 1.8049 1.9242 2.3798 1.8034 3.9756 3.2199 1.7085 1.6439 1.6473 1.6627 1.7716 1.7592 1.6743 1.8881 3.3179 1.7196 1.8216 5.0686 10.3405 10.0787 9.6984 10.4017 6.0273 6.2025 6.2084 6.3271 6.3492 6.7714 6.6191 6.8892 6.9637 6.9591 6.9683 6.9766 7.0920 7.0617 7.1131 7.1322 7.1554 7.1900 7.1803 7.2941 7.3126 7.3739 7.5404 7.5476 7.5925 8.7865 1.0062 0.5127 2.3791 3.5370 1.1250 0.5600 0.8206 0.6907 1.8177 1.2804 0.7359 1.0127 4.2005 4.1960 0.9379 1.3092 1.7780 6.8325 0.1168 2.6417 4.8848 1.7494 16.5364 5.4696 1.6431 16.0968 2.5505 10.3527 5.6840 0.7799 11.6829 5.8071 6.4477 3.7516 2.2106 4.6137 3.9054 6.6303 0.0960 3.3518 15.4086 44.7752 13.5639 35.8969 18.2862 60.0885 91.6491 16.1136 39.5803 421.2122 63.0476 24.1943 34.9010 14.6000 3.2743 34.4567 52.0480 42.6473 20.2062 68.9238 17.6468 8.2520 28.7682 0.7473 7.3437 35.7208 16.5710 0.1137 123.0003 12.2306 81.3500 6.3953 9.3805 0.7996 3.4435 10.6949 25.5241 11.5041 22.7809 47.6162 42.8186 0.8523 0.4148 4.3590 6.9263 28.7103 2.6664 0.2416 35.5597 38.2140 10.8516 94.9336 11.9041 149.0692 97.5712 6.7851 5.9905 269.6704 28.2194 9.8733 3.7930 10.1625 51.1674 9.0186 8.3550 110.1696 91.5442 1.0640 92.2726 337.0687 45.7773 98.9360 82.5542 772.7497 29.5151 14.6435 7.4150 29.2324 13.9168 9.9945 1.9713 13.0533 6.1399 2.5294 66.7542 18.4256 5.7138 2.6450 4.9764 0.0141 4.3251 14.8387 3.0066 17.5132 5.1899 9.2538 14.6816 335.0666 22.1480 1.1330 2.0465 40.1887 86.9445 57.5802 89.6217 18.7715 48.0784 46.8198 46.0317 35.7014 10.4078 28.5255 9.8575 5.1325 5.5123 34.0847 16.7701 14.0576 52.5908 29.6658 3.4490 34.2564 2.8138 59.8924 1.9630 4.3970 1.4052 3.8610 0.7886 1.1939 0.7348 1.0503 3.7855 2.5595 1.5234 0.5670 1.3970 5.5051 1.6602 1.0648 0.8719 0.8252 1.1053 4.7049 0.2012 3.6206 0.8694 0.4680 1.8591 1.4703 6.0605 1.1912 1.1909 4.7508 6.1018 3.2275 3.6320 3.9989 2.3520 1.4749 9.4155 1.8629 1.3428 1.8513 2.3793 1.3210 0.3635 2.2955 5.1294 16.9162 4.2236 0.3178 1.4818 3.3629 1.7515 1.3612 6.4749 3.9963 4.8850 0.6606 2.3268 4.8623 9.1774 23.1679 7.1395 0.9833 11.5555 18.5881 11.5558 6.2973 1.4132 8.7709 7.5034 1.3343 13.6143 1.8020 9.2843 5.6525 7.6776 6.7180 0.4307 6.5168 0.8775 3.9467 8.9395 12.3931 21.5617 37.4459 12.1076 0.4021 1.9659 6.0873 6.1091 7.2449 0.6969 1.0088 6.7226 2.6737 3.0059 14.2158 10.6829 14.3239 24.5810 5.4674 7.1539 6.1830 9.7952 3.8916 1.5997 9.6453 4.5353 0.1584 6.3108 10.9784 4.3814 6.3330 5.6827 13.3219 14.6190 12.6540 18.1957 204.6139 5.9996 2.7336 13.3801 33.4849 12.6110 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 14.00307 31.97207 15.99491 15.99491 31.97207 15.99491 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 9483.0471 28836.5216 34995.3136 0.99996 -0.00839 -0.00241 0.00841 0.99989 0.01238 0.00231 -0.01240 0.99992 1 0.00913 0.00300 0.00248 0.19031 0.06259 0.05157 19.52 24.64 36.67 38.62 44.88 54.22 57.93 64.06 85.40 101.90 113.51 135.22 163.88 201.65 227.27 266.28 278.51 296.46 308.47 323.93 333.26 339.54 344.28 363.97 379.31 389.60 426.28 440.33 447.82 460.59 467.48 493.11 496.27 544.74 557.16 570.33 603.34 613.31 649.91 670.05 698.45 715.56 760.17 775.41 790.24 795.23 815.67 837.53 859.20 874.87 923.74 944.91 969.25 969.99 994.21 1038.87 1088.55 1092.78 1118.47 1144.32 1163.81 1209.04 1230.68 1277.71 1333.68 1344.01 1372.53 1372.98 1384.15 1424.92 1446.15 1457.83 1483.48 1517.23 1521.73 1546.15 1547.94 1555.83 1567.63 1568.21 1593.91 1594.18 1611.20 1619.53 1650.67 1676.10 1680.55 1693.85 1704.33 1711.67 1748.85 1753.30 1758.45 1770.57 1780.70 1787.49 1803.26 1829.06 1843.72 1868.18 1878.30 1886.80 1895.21 1930.25 1938.79 1969.27 1983.92 1991.53 2012.91 2030.28 2052.00 2070.51 2092.96 2099.74 2108.34 2122.07 2126.29 2145.77 2187.13 2198.35 2236.15 2245.51 2258.86 2264.14 2282.55 2314.62 2348.89 2349.31 2351.40 2357.66 2361.88 2367.25 2371.17 2380.39 2383.27 2389.74 2390.13 2412.33 2532.95 2569.16 2585.90 2601.89 4437.37 4508.16 4583.70 4625.92 4635.07 4646.51 4675.99 4689.43 4716.69 4719.97 4735.41 4743.65 4754.69 4756.60 4765.78 4771.55 4800.50 4813.22 4817.37 4844.51 4859.36 4860.66 4921.07 4921.87 4940.79 5361.01 0.491535 0.521407 0.522351 0.425910 -2576.865923 -2576.836050 -2576.835106 -2576.931547 3.234647D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE Cc1ccc(c(c1)N2CCN[C@@H](C2)S(=O)(=O)C(C)C)[N-]S(=O)(=O)S(=O)(=O)c3ccccc3 C39481046 RHF 6-31G(d) (6D,10F) C1 500.098376 |X|Y|Z| 67.413058 121.355385 32.865270 64.542645 21 6 7 16 16 3 2 |36.858105| |12.604465|36.858105| |7.527452|13.796146|36.858105| |4.998795|7.889218|13.727539|36.858105| |4.382531|6.718338|7.855497|13.694180|36.858105| |4.998060|7.831543|6.882869|7.951394|13.479693|36.858105| |7.549206|13.684599|8.044062|6.943324|7.866745|13.767162|36.858105| |3.839501|5.109696|4.552689|5.162426|7.819810|13.446708|7.806677|53.358707| |3.260332|4.107664|3.798196|4.312456|6.041992|7.804544|5.577934|17.846101|36.858105| |2.630350|3.158253|2.989276|3.379138|4.454192|5.148835|4.004684|10.698596|12.522557|36.858105| |2.537499|2.951387|2.715655|2.953932|3.732879|4.484589|3.747250|9.152278|7.693422|12.973090|53.358707| |2.820885|3.313219|2.991487|3.224405|4.108916|5.171747|4.326722|10.917740|6.763705|7.952538|17.931584|36.858105| |2.694040|3.202410|2.989337|3.312648|4.262673|5.026341|4.057486|9.953761|5.952244|7.135383|12.526771|17.619621|0.500000| |3.645977|4.453588|3.786558|3.976605|5.193536|7.749789|6.522277|17.985076|7.884456|6.607610|10.372056|12.410714|0.248851|36.858105| |2.490267|2.760865|2.474591|2.567236|3.050572|3.679135|3.406609|6.472835|4.243699|4.786494|9.855718|10.601824|0.225543|6.906993|388.023441| |2.574336|2.817616|2.518858|2.575715|2.989592|3.561934|3.402274|5.832527|3.596021|3.790737|6.737133|7.223962|0.186922|6.080700|93.764861|73.516695| |2.454625|2.650628|2.337898|2.375229|2.768043|3.366779|3.248276|5.754113|4.018034|4.384556|8.730666|7.251472|0.151004|5.886564|93.606528|13.617578|73.516695| |2.038094|2.246085|2.084370|2.197592|2.574248|2.918448|2.659896|4.945371|3.478547|4.232025|8.220874|6.629528|0.177034|4.475108|75.195832|12.822162|12.918917|36.858105| |1.966452|2.191167|2.079764|2.230774|2.613024|2.860603|2.555357|4.742535|3.262690|3.952080|6.889939|5.754280|0.183288|4.056077|48.987950|10.927932|8.553745|12.464563|36.858105| |1.850240|1.987625|1.840298|1.905959|2.171136|2.438327|2.298749|3.943295|2.783802|3.214389|5.745827|4.520571|0.119536|3.506406|50.227343|10.674955|11.151684|12.436471|7.503429|36.858105| |3.320516|4.507023|5.103960|7.694463|13.650764|7.950586|5.192955|9.488166|6.061212|4.952081|5.360910|4.188394|0.127391|4.737390|21.640122|5.203813|4.804324|2.680258|2.799561|2.222102|53.358707| |2.787306|3.566753|4.180238|5.987269|7.302299|5.001820|3.810188|6.245257|4.502517|4.001179|4.367041|3.253966|0.098268|3.476705|17.839541|4.285941|4.032903|2.308396|2.434420|1.952285|17.109535|388.023441| |2.813399|3.545136|4.427332|6.340804|6.170136|4.269016|3.526833|5.029732|3.585200|3.145022|3.581320|2.688881|0.079487|2.929632|15.383578|3.758022|3.538444|1.987365|2.078505|1.720642|10.180607|93.872853|73.516695| |2.357143|2.896376|3.263802|4.275371|5.046088|3.938061|3.112290|5.309403|3.866331|3.781710|4.224152|3.121319|0.097213|3.142339|17.441629|4.190108|3.886069|2.343739|2.545695|1.975971|10.566699|94.333183|13.819083|73.516695| |2.501893|3.073055|3.392650|4.297930|5.067164|4.163363|3.332127|5.587241|4.747155|4.273785|4.403410|3.025646|0.086972|3.158237|16.751151|3.878448|3.929730|2.199731|2.246208|1.873065|8.822052|62.703083|12.089840|12.105096|388.023441| |2.299721|2.774858|2.928207|3.560763|4.358549|3.909452|3.115965|5.761290|5.271797|5.314520|5.162781|3.356695|0.096534|3.320587|18.291201|4.120454|4.279508|2.456670|2.503864|2.058433|7.634738|45.593262|8.447339|10.820166|93.707715|73.516695| |2.787279|3.433993|3.789115|4.658098|5.227944|4.409662|3.661002|5.613523|4.830562|3.987354|4.195674|2.898721|0.080639|3.160128|16.240995|3.768203|3.899650|2.082367|2.078035|1.795528|7.716018|45.915348|10.651573|8.473235|93.709526|13.630864|73.516695| |2.106128|2.487755|2.770941|3.362618|3.623803|3.050129|2.593248|4.058049|3.299910|3.132942|3.449999|2.390744|0.069040|2.449506|13.897354|3.262303|3.280178|1.871158|1.929074|1.627774|5.919351|43.195882|10.449795|10.158791|76.284065|13.020061|12.993486|36.858105| |1.864393|2.168712|2.374472|2.825727|3.070127|2.659539|2.276720|3.643110|2.945739|2.946134|3.302681|2.272859|0.066340|2.261074|13.404637|3.141766|3.147150|1.849305|1.929859|1.612042|5.063700|35.252963|8.148719|9.686436|49.529012|11.459199|8.811512|13.748540|36.858105| |1.675889|1.913201|2.092731|2.431337|2.562456|2.250738|1.977126|3.057011|2.429237|2.431128|2.814051|1.953442|0.056790|1.944055|11.814069|2.792959|2.790792|1.641254|1.713040|1.452303|4.064749|27.070451|6.695400|7.383213|33.672649|7.846018|6.817385|7.974244|13.760115|36.858105| |1.662915|1.882265|2.077065|2.384097|2.438785|2.136841|1.910627|2.842989|2.237494|2.186000|2.558019|1.792833|0.051677|1.813963|10.938972|2.604714|2.603923|1.503758|1.557513|1.342532|3.743126|24.614067|6.509265|6.328339|29.914428|6.581781|6.570816|6.920587|7.940016|13.741720|36.858105| |1.828456|2.080722|2.328269|2.682548|2.691864|2.325663|2.087586|3.029334|2.382450|2.260176|2.625996|1.850145|0.052959|1.908181|11.208333|2.673843|2.679109|1.516289|1.558071|1.352288|4.054826|26.918583|7.519897|6.459590|33.662020|6.840010|7.849520|7.974932|6.853384|7.917899|13.742938|36.858105| |2.082809|2.423819|2.738833|3.246133|3.301795|2.786373|2.451086|3.596517|2.863134|2.654905|3.008534|2.114038|0.060429|2.205051|12.535983|2.974545|2.989000|1.675208|1.715234|1.477973|5.045222|34.926921|9.800312|7.834479|49.496604|8.850830|11.489820|13.752315|7.888884|6.853194|7.939888|13.758998|36.858105| |17.522403|8.811847|5.832802|4.271345|3.927877|4.588504|6.735645|5.030424|3.265224|2.623201|3.451900|2.761250|0.071865|3.546990|17.477428|4.431436|4.418984|2.009942|1.910076|1.834740|4.167998|18.510413|4.632807|3.936038|17.336387|4.022963|4.906377|2.053012|1.817216|1.635690|1.625156|1.787902|2.034267|0.500000| |17.516600|8.808100|5.888753|4.295572|3.928832|4.561507|6.639171|4.998666|3.058720|2.533085|3.416811|2.852726|0.075682|3.680599|18.422868|4.886520|4.525698|2.097126|2.020457|1.920275|4.186632|18.300240|4.552830|3.960151|16.256362|3.802674|4.416646|1.940239|1.743075|1.572897|1.552036|1.687172|1.903456|0.302322|0.500000| |17.556763|8.842628|7.217831|4.733344|3.926343|4.154546|5.569354|4.436685|2.843636|2.343967|3.056132|2.462503|0.066277|3.062426|15.606959|4.039069|3.833376|1.839562|1.792890|1.681966|4.158660|18.887824|4.914755|4.005409|16.911859|3.836416|4.715463|2.047959|1.810857|1.643689|1.647713|1.821012|2.058055|0.301909|0.301827|0.500000| |6.949352|8.930642|17.679472|8.957854|5.624441|4.954448|5.679905|4.928036|3.141637|2.564009|3.204171|2.563894|0.071402|3.132043|15.529625|3.976737|3.694217|1.871552|1.873696|1.675336|5.639779|25.993496|7.234802|5.218648|21.518636|4.628522|5.997183|2.583227|2.225115|1.996726|2.011237|2.265053|2.618661|0.150126|0.152514|0.220526|0.500000| |4.088317|5.643182|8.944484|17.794016|8.958154|5.654136|4.994588|5.690482|3.681513|3.027585|3.596985|2.835210|0.082086|3.330315|16.364865|4.108560|3.781954|2.023004|2.079571|1.766436|9.514724|46.475227|14.692267|8.169763|31.252100|6.238237|8.238826|3.611988|3.006258|2.606230|2.586137|2.943976|3.565561|0.099035|0.099794|0.112986|0.217532|0.500000| |7.036254|8.932712|5.694497|4.986212|5.618302|8.975768|17.688785|9.789754|5.363996|3.968470|5.328033|4.573289|0.113391|7.224998|26.565634|6.604583|6.553655|2.809508|2.621187|2.449733|5.740537|22.935090|5.279371|4.867094|20.952271|5.060333|5.712664|2.335584|2.083344|1.823623|1.758769|1.903738|2.205862|0.193485|0.187944|0.140858|0.124573|0.108191|0.500000| |3.336612|4.046815|3.599233|3.857899|4.971268|6.554406|5.460500|12.303277|17.360985|8.833531|9.293528|5.863365|0.135576|7.074099|29.001685|6.092062|7.386020|3.291432|2.977510|2.712877|6.351924|26.320289|5.550423|5.694969|28.848285|7.824346|7.800356|2.962654|2.645125|2.227274|2.081868|2.227213|2.644962|0.096206|0.086522|0.080059|0.083854|0.091636|0.156708|0.500000| |3.205193|4.104779|4.006885|4.772201|6.787225|7.449971|5.240092|12.482191|17.710315|8.895212|7.630182|5.040160|0.133146|5.708445|24.585221|5.408081|5.824800|2.972731|2.873280|2.435515|9.766117|39.003703|7.557188|7.889562|45.219247|12.185064|11.787259|4.002603|3.434762|2.759147|2.538389|2.744528|3.406563|0.088682|0.081649|0.079271|0.092164|0.114928|0.131587|0.301617|0.500000| |2.388336|2.802058|2.674728|2.986922|3.763755|4.184952|3.427536|7.690848|8.814974|17.583906|12.474129|5.738483|0.144593|4.954446|28.776310|5.749023|6.972029|3.786319|3.494298|2.985578|5.658068|25.683412|5.176727|6.144407|29.948931|9.799961|7.041534|3.161035|3.004588|2.483908|2.224058|2.286025|2.671031|0.067050|0.063543|0.059814|0.064882|0.075777|0.094997|0.214974|0.209970|0.500000| |2.503439|3.030814|2.962247|3.455356|4.609790|4.934257|3.740092|9.592048|8.928917|17.609120|12.424804|7.063770|0.210149|5.745077|31.292830|6.482408|6.797157|4.120201|4.149801|3.107327|7.661363|32.650180|6.114748|8.100373|33.265196|10.758864|7.206284|3.407542|3.265948|2.648942|2.337100|2.388673|2.810303|0.068139|0.067123|0.062764|0.070898|0.087741|0.099637|0.174048|0.218458|0.302192|0.500000| |2.544843|2.897309|2.616247|2.774833|3.414090|4.172548|3.669874|8.066113|6.995870|9.379983|25.819825|9.515473|0.182948|6.998373|49.302538|8.332869|13.220185|5.526982|4.352076|4.157379|4.717503|20.437089|4.305957|4.866461|21.156589|6.088383|5.206136|2.363480|2.248391|1.936948|1.779698|1.835967|2.094005|0.071975|0.069955|0.062252|0.063366|0.068752|0.110252|0.201670|0.142827|0.227561|0.181709|0.500000| |3.892140|4.719535|3.963630|4.064729|5.095523|7.311298|6.717965|12.503632|5.693692|4.951675|7.589757|8.819438|0.218357|17.626222|45.712262|12.073479|9.317004|4.205437|3.967038|3.405461|6.142777|23.657689|5.095944|5.378084|20.491414|5.246835|5.108067|2.291212|2.122191|1.844653|1.731955|1.821431|2.087026|0.101646|0.113386|0.090274|0.091249|0.094267|0.204671|0.143840|0.127811|0.108895|0.129148|0.143041|0.500000| |3.743566|4.347768|3.560593|3.576335|4.411174|6.431626|6.285727|12.175147|6.989109|5.763114|9.270550|8.828639|0.174723|17.423385|46.405239|9.921181|11.759628|4.179359|3.597994|3.432561|5.351744|21.569690|4.682320|4.857632|20.528786|5.376860|5.291898|2.275487|2.095625|1.819867|1.712878|1.807931|2.077428|0.105242|0.105289|0.086118|0.083057|0.083664|0.221048|0.208179|0.142981|0.129768|0.132397|0.202959|0.300243|0.500000| |1.984933|2.195994|2.046829|2.171810|2.559112|2.889073|2.605401|4.965858|3.690887|4.753158|9.607545|6.467693|0.166176|4.324455|58.391596|9.692697|12.204418|17.615470|8.839404|8.830032|3.666571|16.668162|3.564758|4.236056|16.375752|4.672309|3.864927|1.951852|1.936286|1.710893|1.559236|1.568136|1.735547|0.054839|0.056038|0.049857|0.051023|0.055670|0.076170|0.097635|0.087331|0.122004|0.125806|0.181031|0.107766|0.114112|0.500000| |2.002922|2.218785|2.103326|2.238182|2.589170|2.829025|2.564555|4.561206|3.024909|3.479503|5.845316|5.214583|0.168102|3.949995|45.927952|12.341334|7.959909|8.788807|17.585025|6.731492|3.720758|16.824619|3.634932|4.376928|15.142751|4.126424|3.525026|1.839911|1.831341|1.635559|1.498027|1.503690|1.651077|0.053572|0.057817|0.050783|0.052815|0.057955|0.073044|0.076955|0.074610|0.084954|0.101329|0.105021|0.113011|0.096902|0.173209|0.500000| |1.769776|1.954114|1.872028|2.005819|2.314659|2.486235|2.239717|4.023437|2.845333|3.439347|5.722801|4.432187|0.136605|3.321348|36.474923|8.290037|7.125971|8.896536|17.552473|6.989364|3.394706|15.855016|3.416293|4.200135|14.849122|4.153917|3.421201|1.828453|1.852342|1.659429|1.505100|1.493084|1.628304|0.047918|0.050332|0.045234|0.047319|0.052546|0.063532|0.072920|0.071099|0.087673|0.100774|0.103400|0.089958|0.083892|0.209624|0.300853|0.500000| |2.050607|2.329508|2.236163|2.447893|2.928186|3.166232|2.737983|5.361386|3.696081|4.643264|7.845939|6.483929|0.232520|4.408939|44.665332|9.746589|7.898776|8.736156|17.596455|5.461908|4.401594|19.844039|4.136478|5.267396|18.095213|5.115861|4.106702|2.156072|2.162654|1.895244|1.706539|1.704414|1.890291|0.055069|0.057950|0.051931|0.055540|0.063461|0.076631|0.090550|0.090615|0.110950|0.143029|0.128950|0.117449|0.104506|0.214597|0.300388|0.302787|0.500000| |1.855797|1.973176|1.809757|1.855896|2.103373|2.386272|2.283671|3.845287|2.754661|3.135053|5.614658|4.278605|0.108016|3.438016|47.343859|9.669750|12.783728|8.763822|5.469563|17.609697|2.892417|13.288622|2.947926|3.322216|12.951032|3.549332|3.142975|1.581734|1.557869|1.405958|1.306116|1.320724|1.443850|0.051659|0.053485|0.046732|0.045821|0.047608|0.068551|0.076424|0.066668|0.082169|0.081945|0.118948|0.091438|0.097197|0.212537|0.138676|0.142055|0.122360|0.500000| |1.685320|1.808616|1.694898|1.764243|1.997005|2.200580|2.065247|3.514511|2.525162|2.942076|5.056410|3.807351|0.103691|3.007855|36.966899|8.129171|8.437042|8.883330|6.890015|17.553561|2.814456|13.149840|2.904911|3.367995|12.710199|3.509677|3.025020|1.573287|1.573670|1.425605|1.313929|1.314371|1.427231|0.046417|0.048311|0.042928|0.043135|0.045861|0.060402|0.068106|0.062441|0.077487|0.080290|0.100744|0.080945|0.081347|0.212113|0.166495|0.211178|0.141816|0.300772|0.500000| |1.864039|1.987905|1.837859|1.890066|2.131928|2.388911|2.279742|3.785793|2.601325|2.910396|5.035835|4.175651|0.112953|3.387242|46.296698|11.786123|9.894707|8.782653|6.829361|17.574485|2.943164|13.481689|2.994614|3.405382|12.706215|3.440053|3.053339|1.560015|1.540936|1.394016|1.294742|1.306717|1.425029|0.051006|0.054312|0.047134|0.046644|0.048679|0.067511|0.070216|0.063698|0.074293|0.078991|0.100474|0.094888|0.091586|0.173005|0.199822|0.173124|0.138875|0.300667|0.300813|0.500000| |1.846369|2.152811|2.325109|2.768518|3.095393|2.721026|2.299476|3.833296|3.125425|3.246409|3.607443|2.453887|0.072348|2.386966|14.363948|3.339199|3.344037|2.008273|2.113808|1.733626|5.242499|35.385777|7.559337|10.528696|47.530860|13.114981|8.153711|8.945946|17.763180|8.873111|5.636773|4.945608|5.638294|0.049973|0.048316|0.049392|0.059906|0.080377|0.058817|0.076790|0.100123|0.092332|0.102711|0.067323|0.061845|0.060930|0.058776|0.055212|0.056520|0.066551|0.046284|0.047170|0.045789|0.500000| |1.550292|1.755470|1.901660|2.185721|2.311374|2.060979|1.820050|2.831732|2.239662|2.286245|2.685689|1.862008|0.054311|1.829015|11.393296|2.694640|2.687659|1.604188|1.683904|1.425592|3.653384|23.560902|5.724464|6.629474|27.820361|6.863417|5.722132|5.660649|8.925768|17.713903|8.904221|5.635867|4.941450|0.042051|0.040724|0.042193|0.050476|0.064556|0.047018|0.057201|0.069367|0.065089|0.069402|0.051315|0.048335|0.047592|0.046493|0.044590|0.045710|0.051638|0.038240|0.039124|0.037985|0.213650|0.500000| |1.531684|1.712950|1.880187|2.124667|2.154301|1.910486|1.729623|2.544208|1.986968|1.951415|2.319597|1.631442|0.046954|1.646363|10.088812|2.412024|2.408402|1.393706|1.443813|1.254373|3.257164|20.800486|5.517515|5.380374|24.170041|5.472191|5.464196|4.975296|5.647710|8.918158|17.700142|8.918541|5.647618|0.041628|0.039888|0.042336|0.051000|0.063829|0.044516|0.051785|0.061679|0.055179|0.057627|0.045031|0.043887|0.043384|0.040058|0.038680|0.038956|0.043654|0.033924|0.034215|0.033674|0.123917|0.214962|0.500000| |1.781533|2.001576|2.243256|2.533869|2.485802|2.165591|1.979794|2.792960|2.175541|2.047908|2.412089|1.710485|0.048709|1.776822|10.474372|2.512311|2.517179|1.411933|1.445022|1.268911|3.640567|23.383304|6.694154|5.527807|27.809480|5.742135|6.873953|5.661028|4.941525|5.635872|8.904874|17.713627|8.925218|0.048482|0.045579|0.049747|0.061550|0.077440|0.050291|0.057198|0.068835|0.057416|0.059454|0.047192|0.047385|0.047104|0.040418|0.038916|0.038490|0.043586|0.034527|0.034241|0.034171|0.107394|0.123982|0.214977|0.500000| 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