Version2.4 2021-05-26T03:23:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])C(F)(F)F C13250414 RHF 6-31G(d) (6D,7F) c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])C(F)(F)F C01[X(C21H18F3N2O5S1)] 144 C1 520 O=C([C@@H]1CC=CC[C@@H]1C(=O)[O-])Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F O=C([C@@H]1CC=CC[C@@H]1C(=O)[O-])Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F [O-]C(=O)[C@H]1CC=CC[C@H]1C(=O)Nc2ccc(cc2)[S](=O)(=O)Nc3cccc(c3)C(F)(F)F InChIKey=UWGWHYTVOOIENT-MSOLQXFVSA-M InChI=1S/C21H19F3N2O5S/c22-21(23,24)13-4-3-5-15(12-13)26-32(30,31)16-10-8-14(9-11-16)25-19(27)17-6-1-2-7-18(17)20(28)29/h1-5,8-12,17-18,26H,6-7H2,(H,25,27)(H,28,29)/p-1/t17-,18+/m1/s1 InChI=1/C21H19F3N2O5S/c22-21(23,24)13-4-3-5-15(12-13)26-32(30,31)16-10-8-14(9-11-16)25-19(27)17-6-1-2-7-18(17)20(28)29/h1-5,8-12,17-18,26H,6-7H2,(H,25,27)(H,28,29)/p-1/t17-,18+/m1/s1/fC21H18F3N2O5S/h25H/q-1 c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])C(F)(F)F C01[X(C21H18F3N2O5S1)] 144 C01 520 O=C([C@@H]1CC=CC[C@@H]1C(=O)[O-])Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F O=C([C@@H]1CC=CC[C@@H]1[C]([O])=O)N[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N[C]1[CH][CH][CH][C]([CH]1)C(F)(F)F [O]C(=O)[C@H]1CC=CC[C@H]1C(=O)N[C]2[CH][CH][C]([CH][CH]2)[S](=O)(=O)N[C]3[CH][CH][CH][C]([CH]3)C(F)(F)F InChIKey=JOKHCYXWQUHBSL-MSOLQXFVSA-N InChI=1S/C21H18F3N2O5S/c22-21(23,24)13-4-3-5-15(12-13)26-32(30,31)16-10-8-14(9-11-16)25-19(27)17-6-1-2-7-18(17)20(28)29/h1-5,8-12,17-18,26H,6-7H2,(H,25,27)/t17-,18+/m1/s1 InChI=1/C21H18F3N2O5S/c22-21(23,24)13-4-3-5-15(12-13)26-32(30,31)16-10-8-14(9-11-16)25-19(27)17-6-1-2-7-18(17)20(28)29/h1-5,8-12,17-18,26H,6-7H2,(H,25,27)/t17-,18+/m1/s1/f/h25H 3432.9318873424 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392.8689 408.6309 413.4405 427.2371 449.4244 462.1496 472.6278 478.8132 504.8124 545.1410 561.5731 565.3664 580.0229 590.8659 622.9455 635.0102 654.9993 660.5173 685.6023 689.0044 710.3215 721.8145 740.4273 750.6615 767.7482 781.8836 799.4253 834.0700 835.2194 865.0668 883.7404 896.2429 912.3411 929.9606 949.2836 952.2391 968.4499 993.1712 996.6530 1020.4995 1024.7682 1028.2676 1051.5229 1054.9503 1070.9111 1091.5729 1101.9066 1106.4604 1109.2803 1120.2880 1121.0826 1122.0840 1142.0741 1159.6982 1186.4316 1192.5318 1211.8544 1217.0548 1231.0254 1236.2820 1253.8239 1280.3833 1306.0443 1309.6739 1316.9454 1318.7941 1329.1935 1339.9824 1347.8940 1357.5832 1386.1654 1398.8317 1411.8879 1437.8859 1443.3032 1445.4306 1456.1133 1470.7229 1486.7907 1509.0993 1520.3864 1532.8994 1548.1743 1548.6739 1557.6209 1570.4928 1630.0033 1635.8343 1642.1634 1677.1225 1678.9551 1733.0149 1776.6356 1799.6009 1821.5160 1839.6919 1883.5708 1891.7040 1959.5051 3167.1508 3171.1035 3183.2939 3234.7074 3256.5489 3275.9260 3302.3915 3332.0925 3365.1406 3374.9412 3381.4147 3393.4474 3400.2792 3402.0822 3402.5698 3431.1999 3468.7493 3817.2698 8.7431 10.1362 14.1326 6.0745 7.1728 7.4095 5.0999 6.5051 7.7544 8.6904 7.3743 6.2023 6.4295 3.3751 6.9885 8.4392 5.2402 5.9219 6.3020 7.3070 7.9617 7.1648 5.2614 4.2981 7.3473 6.4010 8.7206 5.7956 6.0524 5.0948 4.5803 2.6825 3.1475 5.4097 5.9272 3.5048 3.1548 5.3520 4.7839 5.1803 3.4767 4.2324 9.9025 7.7403 5.5882 4.4219 5.7787 1.8915 7.1582 7.5199 2.0240 4.9424 2.5607 3.8394 4.6113 8.4223 6.9262 2.6890 2.1176 3.8987 2.5659 1.2877 3.6077 1.5884 3.2016 3.5901 4.2776 1.5722 2.2472 1.6005 1.4278 1.4484 6.2345 3.3048 1.2489 1.3267 1.6801 1.3447 1.9414 1.7710 2.5151 2.4230 3.6062 1.7162 2.2241 3.6758 1.4564 5.1869 1.2688 2.8847 2.2343 1.3621 1.2525 1.9091 10.7409 1.1250 3.5425 4.9883 1.3186 1.5148 2.5576 2.9500 1.5262 1.4185 1.8607 4.9779 1.6440 1.7069 3.0843 2.1104 1.8828 1.7453 2.7002 1.1022 1.0912 2.3441 2.3316 2.3411 4.1890 4.5228 5.5635 5.3714 2.0539 6.9525 7.7753 4.3779 1.0779 1.0749 1.0800 1.0846 1.0888 1.0889 1.0848 1.0982 1.0933 1.0900 1.0913 1.0928 1.0951 1.0940 1.0932 1.0948 1.0935 1.0767 0.0004 0.0006 0.0012 0.0015 0.0038 0.0078 0.0119 0.0190 0.0285 0.0574 0.0586 0.0604 0.0776 0.0455 0.1015 0.1654 0.1296 0.1789 0.2109 0.3041 0.3550 0.4238 0.3249 0.2808 0.5161 0.4895 0.7483 0.5270 0.5954 0.5131 0.4926 0.3192 0.3961 0.7120 0.8006 0.5262 0.5524 0.9944 0.9009 1.0268 0.7151 0.9677 2.3526 1.9565 1.4365 1.2246 1.6163 0.5623 2.1974 2.4290 0.6720 1.7164 0.9223 1.4457 1.8901 3.4616 3.0538 1.2373 1.0022 1.9120 1.3074 0.6837 1.9274 0.8778 1.8606 2.1011 2.6247 0.9727 1.3999 1.0427 0.9362 0.9787 4.3768 2.3642 0.9009 0.9619 1.2423 0.9958 1.4402 1.3610 1.9930 2.0095 3.0217 1.4850 1.9410 3.2820 1.3115 4.8044 1.2255 2.8991 2.2580 1.3919 1.2835 1.9872 11.3629 1.2042 3.8468 5.6472 1.5201 1.7792 3.1156 3.6207 1.8786 1.7720 2.3713 6.4833 2.2059 2.3246 4.2701 2.9803 2.6606 2.4949 3.9239 1.7254 1.7204 3.7244 3.8639 3.8883 7.4126 8.4110 10.6158 10.5003 4.0957 14.5329 16.3935 9.9040 6.3707 6.3687 6.4482 6.6861 6.8030 6.8850 6.9706 7.1839 7.2948 7.3148 7.3519 7.4142 7.4600 7.4602 7.4572 7.5942 7.7518 9.2438 0.3169 1.7587 0.6211 1.2163 1.2532 4.8993 2.3300 3.1842 1.7280 2.4813 2.6813 1.2795 0.4382 0.9887 14.0308 3.6703 2.9645 0.5234 7.1378 21.1763 12.1627 1.7292 4.7020 6.5134 7.0421 0.8240 4.2722 3.1471 36.1267 2.8554 0.5995 12.8223 0.1389 5.4042 0.8080 5.3676 20.0132 19.6048 8.1776 12.6073 30.8259 69.1284 15.9789 105.0451 28.5674 92.1796 28.3297 3.2238 22.8226 5.9369 53.2050 146.2167 176.5624 20.0607 15.5540 18.3083 38.2936 3.0143 22.3445 9.2859 75.5789 0.4902 1.8650 40.7073 12.8634 21.0565 154.0863 45.1100 7.7814 63.4889 9.7370 69.1726 4.1657 18.3670 1.7202 18.2683 1.2075 4.3950 11.6727 2.5537 1.7585 44.3299 101.0920 19.8885 12.6233 19.6129 6.1468 608.2432 17.3555 8.1664 49.8625 28.0143 1.6465 76.8684 297.8205 10.5954 48.2387 197.4908 3.9458 7.9929 224.8992 111.1271 39.3064 52.9929 96.3306 347.3149 50.1960 33.4859 291.5247 48.9235 11.9394 56.6903 61.7584 5.2820 1.3633 195.8838 103.4624 60.7398 319.8818 567.2980 16.7443 15.0000 388.4882 286.5416 356.5480 155.3716 35.9472 13.5532 114.4666 21.4877 26.2305 14.8490 29.8971 95.5055 1024.1741 10.8971 14.4927 2.2940 9.8209 2.2870 0.1423 0.3397 2.1530 43.2167 1.4577 0.6155 0.1759 2.4586 2.5522 1.2806 4.7022 1.8740 0.9915 1.6401 1.1228 2.4527 3.4359 1.0659 0.2877 0.1489 2.5873 2.1048 1.1555 5.9859 2.8162 2.5705 1.5162 2.5870 1.5028 0.6494 1.7515 1.1087 2.5839 1.0142 3.6785 4.1389 0.1647 1.4017 0.9732 0.1961 2.8892 1.1836 1.4285 1.0001 3.7750 5.7729 0.9433 9.6906 6.4256 16.1231 6.5196 3.9268 2.1425 2.7060 11.2983 3.7393 1.0594 0.1925 3.0274 4.9003 6.6474 1.2131 6.7315 7.1972 5.0114 1.9950 14.8101 2.6751 0.5605 4.6990 8.2268 3.6269 0.9007 1.4862 1.5205 2.8938 29.9447 18.2605 1.3790 1.0144 2.0589 0.9829 3.8832 7.3086 2.5555 2.1804 37.3788 1.8235 4.2238 3.9541 3.4704 96.3984 4.1444 1.9164 3.9299 4.4991 7.0007 11.8830 2.1917 11.4404 13.9460 6.9054 7.0022 5.9882 53.7011 6.9638 8.1703 11.0756 1.6364 12.0142 3.4863 1.0432 8.9118 2.8049 5.2472 5.6496 1.9663 18.6379 15.5287 10.1857 5.2882 4.7053 51.5346 288.9504 17.4294 32.8086 3.9710 12.3390 10.5714 25.5222 45.7341 228.8403 46.8548 92.0982 76.4818 90.2716 85.3092 211.3681 221.0523 76.1645 74.6835 38.8393 128.1487 43.4448 88.1848 69.9035 39.8529 41.6323 0.7453 0.6397 0.7260 0.7229 0.7472 0.7387 0.7453 0.7252 0.6416 0.6775 0.4235 0.7419 0.7478 0.7124 0.7341 0.7498 0.3326 0.7500 0.7126 0.3955 0.7497 0.5015 0.4484 0.3836 0.1199 0.7407 0.4172 0.7014 0.5962 0.7007 0.5505 0.7487 0.7038 0.1607 0.7082 0.6144 0.5670 0.7300 0.1850 0.3819 0.3142 0.3665 0.6259 0.2754 0.1143 0.1964 0.3233 0.6263 0.7459 0.0355 0.5572 0.7328 0.3413 0.3078 0.1817 0.1448 0.1680 0.3802 0.1475 0.1411 0.1482 0.5139 0.0353 0.4956 0.7451 0.5019 0.3577 0.3276 0.6538 0.5108 0.5178 0.2744 0.0993 0.2870 0.4331 0.6895 0.4840 0.6610 0.4002 0.7271 0.4916 0.6946 0.2604 0.5356 0.7412 0.6715 0.2732 0.2142 0.6464 0.7098 0.3422 0.1850 0.7450 0.1966 0.6771 0.7326 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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 6 6 6 6 6 6 7 16 8 8 6 6 6 6 6 6 7 6 8 6 1 6 6 6 6 6 1 6 8 8 6 9 9 9 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 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 15.99491 12.00000 18.99840 18.99840 18.99840 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
11135.6304 25327.5982 30931.2049 0.99988 0.01571 0.00156 -0.01574 0.99973 0.01717 -0.00129 -0.01719 0.99985 1 0.00778 0.00342 0.00280 0.16207 0.07126 0.05835 12.61 14.98 17.43 29.89 43.10 60.64 90.54 101.22 113.69 152.32 167.12 184.96 205.92 217.68 225.92 262.40 294.82 325.76 342.92 382.37 395.78 455.89 465.77 479.08 496.80 518.37 549.09 565.25 587.93 594.85 614.70 646.62 664.93 680.01 688.91 726.31 784.34 807.98 813.44 834.52 850.12 896.28 913.64 942.40 950.34 986.43 991.32 1021.99 1038.53 1065.31 1080.03 1104.62 1124.96 1150.19 1200.04 1201.69 1244.64 1271.51 1289.49 1312.66 1338.01 1365.81 1370.06 1393.38 1428.95 1433.96 1468.27 1474.41 1479.45 1512.91 1517.84 1540.80 1570.53 1585.40 1591.95 1596.01 1611.84 1612.99 1614.43 1643.19 1668.55 1707.01 1715.79 1743.59 1751.07 1771.17 1778.73 1803.97 1842.19 1879.11 1884.33 1894.79 1897.45 1912.41 1927.94 1939.32 1953.26 1994.38 2012.61 2031.39 2068.80 2076.59 2079.65 2095.02 2116.04 2139.16 2171.26 2187.50 2205.50 2227.48 2228.20 2241.07 2259.59 2345.21 2353.60 2362.71 2413.01 2415.64 2493.42 2556.18 2589.22 2620.76 2646.91 2710.04 2721.74 2819.29 4556.82 4562.51 4580.05 4654.02 4685.45 4713.33 4751.40 4794.14 4841.69 4855.79 4865.10 4882.41 4892.24 4894.84 4895.54 4936.73 4990.76 5492.20 0.399811 0.425824 0.426768 0.337126 -1984.381221 -1984.355208 -1984.354264 -1984.443906 3.006607D-04
MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])C(F)(F)F C13250414 RHF 6-31G(d) (6D,10F) C1 467.088853 |X|Y|Z| 109.749424 66.280490 40.546318
66.565080 22 6 7 16 19 2 1
|36.858105| |13.763203|36.858105| |7.975475|13.760677|36.858105| |6.892234|7.922714|13.753640|36.858105| |7.942961|6.850090|7.935749|13.732630|36.858105| |13.772644|7.919002|6.881927|7.933029|13.709689|36.858105| |5.153523|4.539045|5.156588|7.849175|13.447382|7.825918|53.358707| |4.111743|3.578439|3.840453|5.065510|7.016653|5.720187|15.572274|388.023441| |4.439652|3.609680|3.602359|4.396607|6.205585|6.251592|10.449800|94.674178|73.516695| |3.239976|2.917007|3.157189|4.035104|5.035712|4.205468|10.668670|94.654636|13.582912|73.516695| |3.711799|3.440022|3.797060|4.849889|5.677466|4.646507|9.403905|77.386967|13.060187|13.046985|36.858105| |3.924902|3.634614|3.863369|4.584698|5.180200|4.652318|7.261604|49.632094|11.421625|8.808908|13.723542|36.858105| |3.297732|3.211421|3.441074|3.867872|4.002491|3.643710|5.440647|33.713489|7.814631|6.797852|7.915807|13.798773|36.858105| |2.801482|2.798855|3.090887|3.505531|3.496453|3.082648|4.929476|29.865377|6.530195|6.528987|6.838144|7.920303|13.614296|36.858105| |2.723630|2.708947|3.059466|3.626829|3.647207|3.086454|5.485162|33.845128|6.819772|7.841985|7.958383|6.885207|7.884181|13.556030|36.858105| |3.043869|2.946865|3.341301|4.188443|4.459485|3.625479|7.333480|49.691444|8.814141|11.449649|13.665208|7.914179|6.836055|7.887144|13.882918|36.858105| |2.408558|2.448767|2.680755|2.924306|2.847505|2.568793|3.940541|22.923849|5.175450|5.208788|4.579518|5.152026|7.739947|13.834190|8.067441|5.243094|53.358707| |2.290887|2.344973|2.512705|2.642418|2.558670|2.377416|3.442630|19.615180|4.602351|4.428078|3.680943|4.316308|6.266369|7.698007|5.179053|3.909440|19.008160|36.858105| |2.441208|2.487449|2.607589|2.689450|2.624003|2.496282|3.453508|19.627127|4.743487|4.330043|3.623911|4.505244|6.598305|6.564603|4.454630|3.613519|11.444204|15.830534|73.516695| |1.952946|2.012696|2.153764|2.240922|2.154461|2.009759|2.914442|16.336214|3.836944|3.797067|2.910848|3.228701|4.194748|5.059844|4.030745|3.153681|10.719165|12.418191|14.037057|36.858105| |1.840181|1.874445|1.999035|2.103004|2.050547|1.913593|2.820997|16.070181|3.770999|3.795281|2.848631|3.095853|3.934721|4.828185|4.011133|3.133916|9.900881|9.056086|11.103725|17.546662|0.500000| |1.833022|1.890900|1.985231|2.020168|1.946213|1.853958|2.595351|14.402328|3.462001|3.334709|2.479443|2.783968|3.486839|3.825216|3.122879|2.589696|6.932040|7.578417|12.306996|12.413473|0.245388|36.858105| |1.869772|1.963852|2.062688|2.055183|1.944417|1.857829|2.545012|13.778578|3.317276|3.167647|2.335015|2.622563|3.213283|3.418381|2.837205|2.407471|5.832012|5.919101|10.534862|7.534256|0.153801|12.616008|36.858105| |1.943979|2.077948|2.221075|2.202534|2.040876|1.924937|2.654319|14.109464|3.350781|3.243820|2.391933|2.649883|3.217559|3.484124|2.944477|2.492406|5.878397|5.551583|9.405035|6.657606|0.136366|7.629935|14.427384|36.858105| |1.996938|2.139375|2.344913|2.377024|2.181367|2.009664|2.874727|15.260533|3.539762|3.538692|2.633737|2.848038|3.482360|4.026411|3.470663|2.842605|7.078807|6.138602|9.154669|7.516614|0.153235|6.373675|7.642778|12.632986|36.858105| |1.884387|1.975487|2.152340|2.233970|2.100188|1.931814|2.837236|15.485237|3.576609|3.644326|2.709108|2.895113|3.591900|4.396952|3.804764|3.004008|8.522288|7.303544|9.518030|12.288736|0.247082|7.600364|6.721007|7.581258|12.441144|36.858105| |1.705188|1.782709|1.924375|1.983823|1.875092|1.740727|2.537502|13.824242|3.221447|3.285876|2.359000|2.500279|3.013768|3.560827|3.176510|2.591772|6.453052|5.475061|7.770278|9.045262|0.216870|7.382340|6.524580|6.908114|9.016438|17.490239|0.500000| |1.866262|1.951912|2.161943|2.295577|2.154944|1.943887|2.973585|16.227980|3.658050|3.901934|2.844581|2.905108|3.499760|4.522609|4.293051|3.312406|8.338143|5.688133|7.558404|7.141304|0.189015|4.825990|4.346811|4.877120|7.420666|12.228826|0.252210|36.858105| |1.788872|1.890758|2.110107|2.225357|2.060100|1.852054|2.830896|15.102757|3.395576|3.660450|2.573442|2.586205|3.005565|3.720201|3.675424|2.976108|6.235610|4.310648|6.176514|5.096563|0.133526|3.930460|3.806540|4.457600|6.713241|8.113290|0.201162|15.609221|73.516695| |1.887868|1.944103|2.147245|2.325000|2.225474|1.998680|3.137842|17.582809|3.925374|4.280987|3.140234|3.148306|3.800599|5.188692|5.141380|3.791320|9.674102|5.800868|7.554293|6.630752|0.201663|4.391430|3.744629|3.948667|5.304018|7.937895|0.178604|15.227064|15.235007|73.516695| |5.060361|7.634660|12.674027|7.615930|5.043831|4.461303|5.264286|21.822461|5.064410|4.716225|3.152272|3.204230|3.029126|2.838973|2.803860|2.938756|3.484527|2.433494|4.439740|2.135948|0.054583|1.980472|2.100692|2.311782|2.449174|2.190687|0.054621|2.198543|3.893018|3.797700|36.858105| |4.601215|6.849866|8.126012|5.361460|4.051755|3.858554|4.358100|19.120431|4.569326|4.140493|2.819174|2.975081|2.899433|2.691431|2.574156|2.625812|3.384968|2.436788|4.527860|2.151215|0.054407|2.036221|2.204273|2.432778|2.508624|2.198498|0.055082|2.151225|3.803277|3.667315|14.390029|97.533100| |4.038263|5.309414|8.112418|6.932759|4.616962|3.855358|5.177531|21.919445|4.911275|4.824816|3.299953|3.292545|3.199245|3.119156|3.126699|3.210471|3.857500|2.651785|4.725306|2.337569|0.059421|2.127637|2.260082|2.538634|2.774242|2.454693|0.060585|2.505675|4.491942|4.286649|14.425246|20.089034|97.533100| |4.380530|6.095573|8.133899|5.906824|4.306125|3.903838|4.708549|19.432055|4.533212|4.331609|2.707002|2.688186|2.530624|2.408808|2.423649|2.559023|2.992689|2.092095|3.786241|1.874963|0.048430|1.750038|1.849534|2.024104|2.139051|1.934284|0.048898|1.958581|3.506967|3.390078|14.332208|20.167515|20.153406|97.533100| |17.724519|8.931778|5.663491|4.962559|5.653080|8.950131|5.686405|25.422514|7.164025|5.139315|3.236075|3.473959|2.976140|2.527872|2.433627|2.682766|3.005547|2.131610|4.073893|1.832395|0.048115|1.742977|1.777953|1.830182|1.854846|1.755849|0.044481|1.724831|2.935851|3.099954|4.118190|8.928384|7.563742|8.343984|0.500000| |8.906532|17.743711|8.912748|5.640367|4.942153|5.638211|4.919671|21.270092|5.416548|4.457621|2.930085|3.133632|2.868131|2.526895|2.417311|2.569075|3.084279|2.212512|4.200372|1.924005|0.049586|1.835392|1.930200|2.043476|2.072191|1.893867|0.047817|1.851053|3.203629|3.245911|7.071021|17.056772|10.922380|13.466772|0.214915|0.500000| |4.963950|5.642609|8.917918|17.738204|8.916161|5.644327|9.795022|34.548116|7.064589|7.282676|4.889318|4.398478|3.841770|3.673145|3.953857|4.555865|4.183563|2.720442|4.802255|2.326474|0.060717|2.064866|2.096194|2.273093|2.511111|2.363553|0.058015|2.482320|4.319649|4.469136|7.053066|11.088962|17.606954|12.764326|0.107721|0.124138|0.500000| |8.895931|5.635901|4.961569|5.656135|8.945239|17.779278|9.803106|42.978088|13.647278|7.893891|4.531268|4.491290|3.465467|2.925106|2.941707|3.489949|3.322581|2.260578|4.221735|1.918923|0.051272|1.775906|1.760456|1.803139|1.874451|1.826772|0.045990|1.839065|3.100337|3.392298|3.566636|7.160602|7.160795|7.245796|0.214862|0.123948|0.124375|0.500000| |4.305265|4.054582|4.836737|7.397007|9.289517|5.819060|25.941549|61.141001|10.178884|13.616820|6.202125|4.665769|3.709045|3.540636|4.105779|5.510088|3.904170|2.477841|4.338180|2.126353|0.057313|1.878240|1.843322|1.939039|2.129153|2.104871|0.052312|2.246075|3.840678|4.217451|3.849266|7.036283|8.869099|7.900722|0.098736|0.091956|0.220498|0.147354|0.500000| |4.498479|3.954867|3.974962|4.556137|5.417464|5.352355|7.146062|47.263723|13.072448|8.132952|8.922291|17.747509|8.963282|5.642192|4.960827|5.637666|5.663217|3.739169|7.237436|2.877382|0.076419|2.574543|2.459451|2.464023|2.576374|2.578469|0.062871|2.540197|4.073684|4.806454|3.199064|6.777352|7.107519|6.057598|0.112367|0.094298|0.114781|0.147662|0.121619|0.500000| |3.204908|3.138432|3.261564|3.490018|3.567937|3.399520|4.673406|27.870435|6.846899|5.715267|5.643750|8.937989|17.836526|8.902089|5.627063|4.941998|9.521177|6.830589|15.176163|4.414043|0.111973|3.838572|3.555187|3.466532|3.582159|3.627416|0.085132|3.347226|5.108328|6.272160|2.912356|6.482089|6.800864|5.472684|0.082104|0.079645|0.094324|0.090024|0.088117|0.215912|0.500000| |2.400994|2.416449|2.734005|3.184278|3.138668|2.678410|4.709304|27.898185|5.720690|6.853132|5.647095|4.958936|5.629772|8.902716|17.723206|8.944128|10.191229|4.884147|7.151222|4.113328|0.116658|3.115707|2.809230|2.941262|3.574377|4.065975|0.094555|4.977823|7.528566|11.366562|2.580311|5.348796|6.561405|5.106837|0.060082|0.060696|0.098027|0.071055|0.100598|0.107667|0.124042|0.500000| |2.819323|2.731575|3.109269|3.922123|4.178796|3.371107|7.258179|47.286937|8.137458|13.113081|8.883043|5.634722|4.934846|5.622870|8.970035|17.741591|5.781943|3.291605|5.392035|2.785547|0.077778|2.316432|2.165003|2.249862|2.569677|2.718876|0.066319|3.065275|5.018351|6.238355|2.768610|5.502932|6.821150|5.563987|0.069300|0.066404|0.121278|0.091003|0.162476|0.124008|0.107373|0.215508|0.500000| |2.199372|2.245918|2.477313|2.712293|2.623982|2.349357|3.686257|21.221483|4.726497|4.988649|4.082062|4.274007|5.691764|9.282000|7.669727|4.942574|25.401298|9.488637|10.860695|7.852255|0.220537|4.846785|4.050012|4.164279|5.321279|7.097926|0.147410|8.174420|9.952443|20.044002|2.402455|5.214072|6.055301|4.713948|0.056074|0.057930|0.080567|0.062166|0.076002|0.097714|0.141978|0.239158|0.117091|0.500000| |1.869391|1.907565|1.975953|2.007809|1.959582|1.889551|2.608805|14.638740|3.572521|3.364363|2.515963|2.882657|3.624172|3.808924|3.055493|2.572692|6.626370|7.290343|13.731450|8.801392|0.204337|17.578316|8.939406|5.825504|4.897711|5.520530|0.145897|3.970595|5.854032|6.776259|1.943978|4.508200|4.630545|3.861262|0.049727|0.051450|0.056331|0.050619|0.051924|0.075051|0.114698|0.082734|0.063497|0.122963|0.500000| |1.661269|1.708743|1.790683|1.824750|1.764146|1.683033|2.370127|13.146652|3.161670|3.085670|2.223752|2.445506|2.971472|3.272652|2.784143|2.339346|5.742313|5.571563|8.957904|8.870670|0.223896|17.478454|8.920008|6.133588|5.362873|6.688745|0.212093|4.538431|6.726926|7.373026|1.792298|4.131357|4.324669|3.608377|0.044057|0.046184|0.051939|0.045019|0.047868|0.063134|0.088807|0.078610|0.059093|0.117053|0.303561|0.500000| |1.802798|1.890082|1.957148|1.927811|1.832314|1.774033|2.383703|12.862906|3.136362|2.953274|2.140998|2.411671|2.889634|2.973372|2.499494|2.172206|4.841215|4.693196|8.919803|5.450660|0.122160|8.601048|17.656739|9.166949|5.491360|4.877777|0.135942|3.490848|5.600005|5.506484|1.992875|4.759900|4.749706|3.972482|0.048076|0.052113|0.054068|0.046850|0.047718|0.064015|0.089787|0.068163|0.054571|0.092806|0.215460|0.199547|0.500000| |1.930909|2.088830|2.224568|2.165709|1.987605|1.885957|2.555049|13.372739|3.191406|3.069510|2.224208|2.453762|2.899712|3.055878|2.637178|2.289737|4.893888|4.372114|7.751603|4.846004|0.106707|5.489161|9.181995|17.647891|8.580893|5.459999|0.143768|3.999495|6.858048|5.881983|2.357547|5.690381|5.797067|4.660475|0.050646|0.057781|0.061808|0.048840|0.051837|0.064299|0.086665|0.072735|0.057886|0.096093|0.127905|0.131286|0.222029|0.500000| |2.238794|2.425235|2.704666|2.747773|2.478899|2.254444|3.235117|16.994217|3.901658|3.888604|2.983875|3.246303|4.014629|4.665362|3.961237|3.218551|7.959588|6.506603|9.843018|6.537735|0.137509|5.308948|6.100953|8.914353|17.469433|8.778038|0.174725|6.784721|10.999148|9.254642|2.837150|6.508645|7.381267|5.457504|0.057080|0.064750|0.081274|0.057730|0.066610|0.080617|0.113260|0.111018|0.079654|0.159472|0.122810|0.121899|0.130918|0.200636|0.500000| |1.874842|2.021347|2.227184|2.249338|2.048502|1.882121|2.704992|14.172585|3.275494|3.324985|2.392846|2.529524|2.987111|3.424910|3.099352|2.597217|5.711991|4.607854|7.090952|5.513593|0.124496|4.917440|5.827854|8.881775|17.597994|8.915610|0.222029|6.909455|13.295086|8.562930|2.368438|5.446884|6.090348|4.723490|0.048393|0.054643|0.066555|0.048721|0.056165|0.064005|0.083943|0.090259|0.066582|0.123087|0.109157|0.124681|0.127551|0.211593|0.305414|0.500000|
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