Version2.4 2021-05-21T20:56:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 16-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc3c(c2)nc(=S)n(c3[O-])CC C22966786 RHF 6-31G(d) (6D,7F) CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc3c(c2)nc(=S)n(c3[O-])CC C01[X(C21H20N3O4S1)] 141 C1 479 CCCOC(=O)c1ccc(cc1)NC(=O)c1ccc2c(c1)nc(=S)n(c2[O-])CC CCCOC(=O)c1ccc(cc1)NC(=O)c1ccc2c(c1)nc(=S)n(c2[O-])CC CCCOC(=O)c1ccc(NC(=O)C2=CC3=NC(=S)N(CC)C(=C3C=C2)[O-])cc1 InChIKey=PCXRHCSXWVBIKO-UHFFFAOYSA-M InChI=1S/C21H21N3O4S/c1-3-11-28-20(27)13-5-8-15(9-6-13)22-18(25)14-7-10-16-17(12-14)23-21(29)24(4-2)19(16)26/h5-10,12,26H,3-4,11H2,1-2H3,(H,22,25)/p-1 InChI=1/C21H21N3O4S/c1-3-11-28-20(27)13-5-8-15(9-6-13)22-18(25)14-7-10-16-17(12-14)23-21(29)24(4-2)19(16)26/h5-10,12,26H,3-4,11H2,1-2H3,(H,22,25)/p-1/fC21H20N3O4S/h26h,22H/q-1 CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc3c(c2)nc(=S)n(c3[O-])CC C01[X(C21H20N3O4S1)] 141 C01 479 CCCOC(=O)c1ccc(cc1)NC(=O)c1ccc2c(c1)nc(=S)n(c2[O-])CC CCCOC(=O)[C]1[CH][CH][C]([CH][CH]1)NC(=O)[C]1[CH][CH][C]2[C]([CH]1)[N][C](S)N(C2=O)CC CCCOC(=O)[C]1[CH][CH][C]([CH][CH]1)NC(=O)[C]2[CH][CH][C]3[C]([CH]2)[N][C](S)N(CC)C3=O InChIKey=YACXPEDHVKZECM-UHFFFAOYSA-N InChI=1S/C21H21N3O4S/c1-3-11-28-20(27)13-5-8-15(9-6-13)22-18(25)14-7-10-16-17(12-14)23-21(29)24(4-2)19(16)26/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)(H,23,29) InChI=1/C21H21N3O4S/c1-3-11-28-20(27)13-5-8-15(9-6-13)22-18(25)14-7-10-16-17(12-14)23-21(29)24(4-2)19(16)26/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)(H,23,29)/f/h22,29H 2565.3237710457 -1667.3380157 1-A 28446.3462 108 371 479 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.71965 -20.55298 -20.48804 -20.46258 -20.41166 -15.53797 -15.49241 -15.40248 -11.32255 -11.28673 -11.23883 -11.23856 -11.23816 -11.21451 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407.2763 433.5381 457.8170 462.7223 471.4624 474.7865 532.7394 557.5491 572.6436 577.7899 605.4818 634.3618 654.5645 667.7973 692.7593 694.6570 723.3602 763.4558 774.1795 777.4747 781.8281 820.3075 843.4487 850.9794 865.0829 876.0230 891.6896 921.3770 925.3559 932.1785 939.0723 959.5497 972.7467 982.0709 1002.7247 1035.0159 1039.1203 1050.6266 1093.1622 1093.7237 1097.4442 1111.9849 1131.8436 1137.0775 1139.3608 1174.0459 1179.2108 1209.9099 1217.5167 1225.3379 1246.7366 1263.9930 1290.5393 1292.6582 1303.5783 1314.9343 1331.0313 1347.5556 1364.2608 1377.9730 1396.5228 1402.2577 1417.5216 1436.4582 1442.2080 1458.5449 1475.2200 1478.1266 1494.1759 1531.4072 1558.7496 1565.3240 1566.0221 1566.5096 1584.6783 1633.7787 1637.8375 1638.9733 1640.8473 1644.9446 1651.1886 1654.5940 1671.5651 1685.9733 1691.1731 1707.9996 1746.4457 1781.6768 1807.3665 1817.8879 1888.7049 1967.5832 1974.3847 3196.0852 3199.8646 3215.3811 3240.2191 3248.7553 3260.2754 3263.0727 3269.2397 3293.4333 3299.4551 3306.2572 3352.8536 3357.2198 3375.4961 3401.6691 3403.0044 3410.1197 3417.5498 3471.2158 3885.7370 6.1613 5.2840 5.2319 4.9357 4.4640 3.3171 2.5793 4.4984 4.0564 4.8882 6.8104 4.1079 5.6094 6.9789 5.5348 4.7305 4.1996 4.7379 1.0813 1.1205 6.5915 6.9027 6.4269 5.9837 6.3923 6.5939 4.9385 6.1153 9.6096 5.2501 3.1815 3.0622 4.3030 5.2366 3.9995 5.0835 2.9506 5.5611 8.2599 1.2313 5.1719 7.9341 5.3725 6.6260 6.3206 9.3918 6.2116 3.4009 5.0617 1.0885 1.4655 2.1750 4.8376 4.0938 5.7597 2.7948 4.5078 1.4228 3.3954 5.4473 1.1474 1.5581 1.9292 1.5220 2.9835 3.8492 1.3619 4.7578 1.3184 2.8310 1.3394 5.1273 2.7976 4.0067 2.5604 1.9864 1.9142 1.7012 2.3771 3.2613 1.8195 1.9134 1.6397 1.7924 4.0610 3.5271 3.1019 3.6862 1.1974 2.5943 1.9988 2.5476 1.0708 1.4611 2.2349 2.6602 1.3456 1.2563 3.1788 1.4099 1.2502 3.6508 1.5650 1.7095 1.0972 1.0530 1.4031 1.0409 1.0595 1.1012 1.0968 3.2347 3.1461 2.5353 7.8949 3.8217 4.9397 5.7457 11.4006 9.3888 12.3724 1.0450 1.0367 1.0620 1.1045 1.0582 1.0914 1.1048 1.1013 1.0926 1.1104 1.0784 1.0911 1.0895 1.1013 1.0943 1.0921 1.0937 1.0927 1.0937 1.0779 0.0005 0.0014 0.0023 0.0042 0.0070 0.0075 0.0072 0.0151 0.0196 0.0288 0.0431 0.0280 0.0602 0.0906 0.0857 0.1052 0.1019 0.1282 0.0364 0.0418 0.2776 0.3377 0.3679 0.3579 0.4547 0.4878 0.3828 0.5247 0.9391 0.5814 0.3929 0.3863 0.5635 0.6955 0.6688 0.9311 0.5701 1.0938 1.7841 0.2919 1.3056 2.0847 1.5191 1.8838 1.9486 3.2253 2.1935 1.2112 1.8229 0.4315 0.6143 0.9280 2.1330 1.8510 2.6982 1.3979 2.2742 0.7285 1.7642 2.9551 0.6397 0.8854 1.1428 0.9606 1.8981 2.5034 0.9588 3.3533 0.9356 2.0625 1.0110 3.9059 2.1397 3.2539 2.0977 1.7133 1.6718 1.5049 2.1769 3.0700 1.7854 1.8838 1.6417 1.8259 4.2390 3.7737 3.4015 4.1240 1.3759 3.0055 2.3663 3.0972 1.3123 1.8313 2.8657 3.4244 1.7700 1.7358 4.5505 2.0354 1.8064 5.2784 2.3155 2.6885 1.7342 1.6666 2.2257 1.6594 1.7020 1.7762 1.8056 5.4173 5.3015 4.3576 14.1875 7.1476 9.5069 11.1874 23.9611 21.4154 28.4162 6.2892 6.2544 6.4693 6.8323 6.5806 6.8352 6.9306 6.9349 6.9826 7.1225 6.9453 7.2265 7.2348 7.3934 7.4604 7.4512 7.4934 7.5191 7.7646 9.5890 1.0004 0.2280 0.8287 0.1220 0.9770 0.7880 0.6916 2.4485 2.2188 1.8311 5.2128 0.9823 1.9018 3.1717 0.1034 5.1581 1.8534 0.4157 0.6440 0.0074 6.4363 4.8169 1.8295 7.7867 2.8174 4.6889 9.4611 23.7052 26.3314 3.4643 0.7147 0.2567 0.8695 26.2325 20.0161 1.3369 8.8151 6.3742 6.2121 64.8074 15.1489 27.8455 10.5161 21.5006 3.7293 1.2451 18.4092 13.2367 8.2219 1.2584 15.4231 49.1411 90.3573 22.0249 8.4941 13.6211 5.1417 16.4390 24.2095 66.9427 8.7884 31.0266 8.1946 15.9523 43.7930 11.5966 0.3519 12.9385 2.2927 0.8213 1.1835 21.5376 21.2632 7.8581 83.5367 86.3198 127.1768 47.8033 22.2222 60.9171 276.4049 187.0476 2.5056 106.7583 175.2624 35.5878 18.3888 178.1961 0.7380 624.9753 116.2681 1075.7039 0.1300 28.5749 366.8034 9.7647 41.3754 26.9989 280.0116 68.0581 0.5763 18.7488 29.7568 514.0108 29.1678 0.2536 196.8957 5.0304 4.7425 2.3525 7.7694 855.0644 987.0115 358.5346 64.2319 370.0548 85.3993 104.8036 595.7158 83.4167 593.8660 74.4742 41.6810 17.6551 0.0028 35.7962 35.9273 44.8453 54.2522 13.0978 71.1246 45.1509 22.2089 19.4925 3.6638 11.5953 2.6997 7.6724 0.1653 3.3096 42.8536 3.3466 1.3518 2.6053 3.2793 0.3155 1.3877 0.6534 0.0796 0.2815 1.9731 1.4715 0.1552 1.2644 0.8557 1.1203 0.2341 0.3472 1.2285 0.0891 0.0202 3.3925 1.6202 5.1921 1.1601 2.6821 1.1335 0.8385 1.4495 0.4643 4.8941 3.7945 0.0649 0.7300 2.3073 4.5607 0.9343 0.5503 0.7917 14.7270 2.6465 1.2275 8.0334 1.7227 8.5264 1.6330 2.6632 25.3294 1.1146 6.5626 0.0378 13.9410 3.0762 4.9548 8.9230 3.7874 10.3222 4.2629 1.8621 23.8704 8.1854 0.1560 0.8515 33.6468 2.3664 38.2794 6.2642 2.7409 3.5465 6.1676 2.7974 1.7608 7.6798 12.4464 12.4832 37.1248 6.2600 7.5173 2.1853 28.7330 42.6469 74.0127 19.1059 2.1146 30.0501 8.2655 11.2669 31.1420 66.9404 0.1220 207.3252 19.5158 147.0168 26.7536 28.9754 338.3179 218.0443 23.8360 11.1585 23.9767 3.6504 1.6909 17.9108 6.0449 88.9902 26.9899 30.6347 16.8656 21.3931 8.1427 0.4873 7.6140 161.4677 234.7274 65.8960 102.5768 110.0383 513.0228 81.4294 34.7420 106.9520 196.4853 172.3286 88.2078 102.0850 134.9022 86.2599 70.1860 4.6698 99.5250 67.6897 29.3236 41.1048 62.3038 84.5502 25.8499 89.0308 68.9572 98.0768 51.4713 55.8375 142.5169 0.7473 0.7487 0.7496 0.7356 0.7222 0.7206 0.7419 0.7280 0.7358 0.6103 0.7158 0.7351 0.3313 0.6028 0.7181 0.7472 0.6781 0.2835 0.7068 0.7407 0.5793 0.4022 0.7332 0.1868 0.7350 0.5598 0.3777 0.7406 0.6007 0.3109 0.4490 0.7257 0.7498 0.4383 0.3746 0.7353 0.7353 0.3691 0.2021 0.6955 0.4668 0.5163 0.7483 0.7489 0.3307 0.3389 0.0882 0.6741 0.1984 0.7498 0.4335 0.5027 0.6437 0.3178 0.6769 0.2232 0.4680 0.7054 0.1613 0.4597 0.7483 0.7498 0.1984 0.3567 0.2191 0.6195 0.7442 0.3401 0.4235 0.3561 0.7498 0.6968 0.6835 0.7301 0.4280 0.2261 0.5835 0.6595 0.1761 0.3116 0.2856 0.2257 0.7498 0.1975 0.7500 0.6624 0.5681 0.2424 0.7413 0.2332 0.6685 0.3168 0.7499 0.2485 0.2289 0.2115 0.6924 0.2750 0.3414 0.4129 0.6971 0.4864 0.3026 0.4440 0.6356 0.7150 0.2343 0.7500 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0.7435 0.4669 0.4771 0.6275 0.5995 0.5606 0.5967 0.8402 0.2521 0.3360 0.4207 0.2931 0.0068 0.2347 0.8570 0.0570 0.8413 0.8571 0.7803 0.5870 0.8571 0.2217 0.5706 0.5185 0.6135 0.3502 0.5229 0.3751 0.4460 0.3520 0.3438 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 6 6 6 8 6 8 6 6 6 6 6 6 7 6 8 6 6 6 6 6 6 7 6 16 7 6 8 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 31.97207 14.00307 12.00000 15.99491 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 3075.1529 49103.6483 50913.5302 0.99999 0.00176 0.00478 -0.00183 0.99987 0.01621 -0.00475 -0.01622 0.99986 1 0.02817 0.00176 0.00170 0.58688 0.03675 0.03545 16.31 30.80 39.22 54.88 74.44 89.34 98.92 108.72 130.27 143.95 149.11 154.66 194.16 213.52 233.20 279.46 292.01 308.28 344.13 362.24 384.67 414.60 448.47 458.43 499.94 509.80 521.84 549.05 585.98 623.76 658.70 665.75 678.33 683.11 766.49 802.19 823.91 831.31 871.15 912.71 941.77 960.81 996.73 999.46 1040.75 1098.44 1113.87 1118.61 1124.88 1180.24 1213.53 1224.37 1244.66 1260.40 1282.94 1325.66 1331.38 1341.20 1351.12 1380.58 1399.57 1412.98 1442.70 1489.16 1495.06 1511.62 1572.82 1573.62 1578.98 1599.90 1628.47 1636.00 1639.29 1689.19 1696.62 1740.79 1751.73 1762.99 1793.78 1818.60 1856.80 1859.85 1875.56 1891.90 1915.06 1938.83 1962.87 1982.60 2009.28 2017.54 2039.50 2066.74 2075.02 2098.52 2122.51 2126.69 2149.79 2203.35 2242.69 2252.15 2253.16 2253.86 2280.00 2350.64 2356.48 2358.12 2360.81 2366.71 2375.69 2380.59 2405.01 2425.74 2433.22 2457.43 2512.75 2563.44 2600.40 2615.54 2717.43 2830.91 2840.70 4598.45 4603.89 4626.22 4661.95 4674.23 4690.81 4694.83 4703.71 4738.52 4747.18 4756.97 4824.01 4830.29 4856.59 4894.24 4896.16 4906.40 4917.09 4994.31 5590.71 0.412328 0.437409 0.438353 0.352991 -1666.925688 -1666.900607 -1666.899663 -1666.985025 2.863056D-04 MUNgauss RevisionA2.1 retrievium 21-May-2021 DUDE CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc3c(c2)nc(=S)n(c3[O-])CC C22966786 RHF 6-31G(d) (6D,10F) C1 410.117453 |X|Y|Z| 38.493125 22.223203 162.696936 51.823062 18 6 7 15 3 |36.858105| |12.464098|36.858105| |7.549572|12.553245|36.858105| |5.090162|8.037367|13.428427|73.516695| |3.920295|5.264365|8.113880|25.472386|36.858105| |3.745900|4.628049|7.236056|15.311352|15.963762|73.516695| |3.129569|4.056153|5.196623|14.436011|12.863504|14.285129|36.858105| |2.605804|3.180681|3.956197|9.357563|7.706596|11.936710|13.704414|36.858105| |2.239538|2.678534|3.143596|7.105311|5.069455|8.030142|7.870261|13.797112|36.858105| |2.199088|2.653309|2.987858|6.802689|4.453610|6.734244|6.810318|7.947379|13.647430|36.858105| |2.491423|3.108598|3.435384|8.204395|5.046289|7.100198|7.934236|6.922525|7.911592|13.625476|36.858105| |3.020019|3.966914|4.569667|12.307882|7.560975|9.359264|13.693373|7.966363|6.845639|7.892542|13.840052|36.858105| |1.912820|2.252862|2.464334|5.357323|3.360827|5.283233|4.549300|5.147633|7.734764|13.679862|8.011203|5.213903|53.358707| |1.706491|1.967666|2.152855|4.536749|2.858293|4.670800|3.656390|4.305982|6.246525|7.611192|5.140822|3.886308|18.821627|36.858105| |1.679215|1.921516|2.133671|4.453495|2.869587|4.811930|3.615092|4.508572|6.602229|6.543403|4.452362|3.611582|11.452056|15.913001|73.516695| |1.540673|1.754635|1.879363|3.879265|2.371959|3.898579|2.905519|3.239711|4.215745|5.055088|4.016047|3.145150|10.757240|12.701297|14.243300|36.858105| |1.524051|1.735303|1.830409|3.765590|2.254178|3.672196|2.729050|2.924210|3.643250|4.495831|3.879680|3.039794|8.981004|7.494429|9.449240|13.459480|36.858105| |1.388367|1.562008|1.629193|3.294831|1.947032|3.201833|2.291013|2.419308|2.894059|3.416158|3.086343|2.526794|6.148591|5.036941|7.154139|7.946022|13.929865|36.858105| |1.292893|1.442302|1.506920|3.017513|1.788659|2.975720|2.077507|2.213702|2.623794|2.986739|2.678480|2.245674|5.200622|4.471376|6.758715|6.899106|7.935250|13.620737|36.858105| |1.300527|1.450253|1.530192|3.066616|1.840069|3.083109|2.144265|2.331417|2.799873|3.116596|2.709875|2.278658|5.443649|5.042984|7.918369|7.868675|6.760464|7.825108|13.684136|36.858105| |1.414849|1.591843|1.700812|3.452891|2.105271|3.516708|2.508668|2.797513|3.501279|3.918584|3.228040|2.652167|7.250766|7.758849|11.781843|13.934110|7.869521|6.853208|7.923500|13.424682|36.858105| |1.211370|1.339103|1.411271|2.797070|1.675594|2.836396|1.919962|2.085231|2.448915|2.644032|2.330747|2.011146|4.387824|3.939721|6.617879|5.241611|4.572669|5.166281|7.884261|14.123898|7.996211|53.358707| |1.131361|1.242829|1.299437|2.554062|1.515446|2.569546|1.714331|1.836043|2.113005|2.277204|2.057676|1.799609|3.686948|3.159646|5.304185|4.036595|3.830822|4.567086|6.868284|8.283539|5.313712|19.844311|36.858105| |1.043788|1.136892|1.187381|2.309769|1.368097|2.340516|1.524898|1.629833|1.841109|1.942516|1.772264|1.581855|3.041647|2.555682|4.430454|3.042352|2.862868|3.234007|4.240037|4.894016|3.803258|9.848283|11.078991|388.023441| |1.121468|1.232059|1.278708|2.511908|1.477847|2.492462|1.669116|1.765064|2.019298|2.208131|2.029735|1.771957|3.578373|2.976160|4.867746|3.848071|3.974032|5.164237|7.958676|7.078594|4.634827|11.005376|13.507551|50.029975|53.358707| |1.187457|1.312495|1.359878|2.689915|1.579222|2.642118|1.799945|1.894657|2.185937|2.441751|2.250462|1.935806|4.044052|3.331263|5.257069|4.514502|5.096522|7.666082|13.059554|7.807147|5.102971|9.186006|7.769578|33.787365|18.837649|36.858105| |1.163995|1.283580|1.320165|2.601445|1.514290|2.528383|1.714235|1.782413|2.030370|2.274349|2.139546|1.854302|3.700048|2.941540|4.639008|3.815598|4.531583|6.710863|8.113218|5.345847|4.012581|6.428004|5.353617|27.261887|11.448270|15.723035|73.516695| |1.041119|1.135870|1.171484|2.281314|1.332617|2.254988|1.486231|1.557106|1.750886|1.898356|1.774947|1.573888|2.997377|2.426497|4.020373|2.983251|3.120834|3.898782|5.111228|4.579270|3.414607|7.001285|7.579661|44.625129|17.652075|7.929171|12.730029|36.858105| |0.991533|1.077174|1.112160|2.155621|1.260713|2.144592|1.397620|1.467714|1.640998|1.758415|1.642144|1.468587|2.745615|2.224637|3.739411|2.680526|2.809660|3.429770|4.241485|3.845061|3.008341|5.751445|5.652304|37.004346|10.422418|5.946007|10.416185|12.502099|36.858105| |17.559877|8.792941|5.495357|7.473469|3.317380|5.567893|2.775728|2.338073|2.053204|2.046899|2.325116|2.758234|2.457644|1.613733|2.805653|1.472596|1.467190|1.345589|1.253095|1.254271|1.355169|1.592023|1.097428|7.207564|1.486524|1.156849|2.024220|1.017902|0.969176|0.500000| |17.537312|8.764169|6.828049|8.300101|3.760025|6.588308|2.993716|2.535452|2.176757|2.116716|2.365423|2.841440|2.513180|1.658160|2.914606|1.497325|1.482522|1.351483|1.258296|1.265006|1.375316|1.604650|1.101923|7.236448|1.487282|1.156869|2.017986|1.015438|0.971421|0.301868|0.500000| |17.537770|8.764458|6.828187|8.300379|3.760664|6.589250|2.994310|2.536451|2.177513|2.117102|2.365460|2.841377|2.512907|1.660206|2.923681|1.497783|1.470276|1.342095|1.258359|1.272997|1.385373|1.622104|1.112652|7.333285|1.494796|1.157028|2.009801|1.020065|0.970617|0.301876|0.301565|0.500000| |8.829272|17.543992|8.931372|13.086298|4.942473|7.529969|4.016318|3.137554|2.683062|2.705046|3.218179|4.087040|3.138892|1.999211|3.439176|1.791031|1.792244|1.611965|1.476054|1.472394|1.612202|1.840574|1.257081|8.139198|1.705992|1.343109|2.346218|1.155879|1.097889|0.212019|0.210133|0.172583|0.500000| |8.829353|17.544682|8.931790|13.087239|4.943928|7.531456|4.017723|3.139435|2.684462|2.705827|3.218231|4.086791|3.138339|2.002768|3.454011|1.791800|1.770847|1.596190|1.476146|1.484951|1.628359|1.866878|1.272974|8.276825|1.717280|1.343348|2.333443|1.162669|1.096731|0.212018|0.172581|0.210144|0.303423|0.500000| |6.832179|8.808436|17.600834|16.533538|7.263952|13.009094|4.766894|3.808954|3.028591|2.831129|3.171117|4.090716|3.202550|2.083492|3.709413|1.818540|1.752707|1.566065|1.462266|1.496137|1.663467|1.891211|1.278678|8.357738|1.703151|1.322030|2.272701|1.147224|1.087933|0.139918|0.168038|0.202209|0.173797|0.212170|0.500000| |6.831926|8.808201|17.600060|16.532828|7.259876|13.002563|4.764736|3.805722|3.026653|2.830290|3.171128|4.091071|3.203190|2.079509|3.691068|1.817756|1.773521|1.581010|1.462189|1.483277|1.646227|1.863826|1.262541|8.215798|1.692121|1.321811|2.284545|1.140689|1.089073|0.139914|0.202198|0.168032|0.212160|0.173799|0.302617|0.500000| |2.558002|3.042070|3.868032|8.573616|7.201976|13.412684|8.958419|17.744769|8.963373|5.653706|4.979853|5.668279|5.660637|3.734254|7.244251|2.889072|2.597719|2.191944|2.037288|2.160308|2.566708|2.671465|1.735585|11.093158|2.258355|1.762518|2.946561|1.472338|1.396881|0.063222|0.070001|0.070040|0.082064|0.082126|0.106451|0.106320|0.500000| |2.019938|2.358525|2.742755|5.928616|4.136987|6.959074|5.624695|8.930663|17.839260|8.903331|5.638913|4.947226|9.535298|6.832842|15.204021|4.452149|3.672365|2.929120|2.708382|2.961943|3.788287|3.547541|2.220583|13.782730|2.847126|2.243816|3.663108|1.802203|1.696617|0.051665|0.054921|0.054951|0.065368|0.065418|0.074460|0.074389|0.215705|0.500000| |2.371506|2.928502|3.097922|7.109707|4.103862|5.930222|5.647002|4.976263|5.631387|8.886122|17.699706|8.964544|10.064845|4.826534|7.121436|4.069666|4.149563|3.321914|2.822801|2.785465|3.245758|3.230333|2.113119|12.832395|2.878815|2.376003|4.055081|1.851609|1.700665|0.062574|0.062256|0.062251|0.085358|0.085345|0.079304|0.079316|0.107956|0.123958|0.500000| |3.396896|4.669273|5.069363|13.929795|6.941267|8.606665|8.901085|5.655807|4.940914|5.633401|8.975199|17.757351|5.762030|3.277079|5.392697|2.778175|2.751879|2.343612|2.086066|2.090799|2.379012|2.530427|1.684369|10.589531|2.275832|1.825616|3.140802|1.499968|1.400105|0.086861|0.087020|0.086997|0.137311|0.137219|0.121390|0.121457|0.124444|0.107480|0.217048|0.500000| |1.886084|2.221260|2.377136|5.134902|3.111510|4.849281|4.087809|4.306466|5.750165|9.399915|7.702938|4.951540|26.085618|9.462483|10.918287|7.760659|7.608464|5.092418|4.104992|4.098236|5.184047|4.421943|2.770165|16.054889|3.742664|3.177689|5.228672|2.302874|2.086809|0.049914|0.050348|0.050350|0.063660|0.063663|0.062700|0.062698|0.098327|0.143310|0.237084|0.117287|0.500000| |1.617830|1.856612|1.954176|4.056554|2.415971|3.889301|2.954586|3.113363|3.859955|4.943257|4.388516|3.366887|9.708843|6.873740|8.769161|8.767383|17.713142|8.977875|5.641673|4.894005|5.614209|4.947689|3.160822|17.552377|4.502840|4.136918|6.950826|2.720072|2.497479|0.043260|0.043769|0.043035|0.053788|0.052450|0.051418|0.052681|0.075698|0.104639|0.133535|0.084711|0.243129|0.500000| |1.360091|1.525385|1.576104|3.169012|1.851182|3.040068|2.153030|2.234884|2.613142|3.070749|2.873069|2.389284|5.279506|4.079740|5.972108|5.626983|8.933238|17.741486|8.946993|5.620409|4.944335|5.709015|3.967987|20.852525|6.435866|7.126105|13.356602|3.818965|3.422229|0.036798|0.036820|0.036386|0.043983|0.043252|0.041900|0.042566|0.056392|0.072475|0.087136|0.062536|0.122706|0.214707|0.500000| |1.407818|1.579013|1.700231|3.439478|2.117962|3.575365|2.510831|2.851483|3.564363|3.809057|3.096053|2.594830|6.675980|7.189295|12.817661|8.950540|5.603830|4.945340|5.651863|8.874061|17.762674|10.017639|4.893656|26.876774|5.501253|4.156285|5.968092|3.092390|2.759660|0.037320|0.038018|0.038509|0.044088|0.044853|0.046572|0.045715|0.073746|0.110450|0.084361|0.064301|0.126336|0.123380|0.107443|0.500000| |1.048865|1.144962|1.174348|2.286872|1.327597|2.236919|1.479313|1.535971|1.719988|1.882003|1.781680|1.579162|2.964799|2.353400|3.851145|2.882016|3.104986|3.934366|4.904188|4.155942|3.189392|5.937757|5.762489|33.938940|12.595439|7.715068|14.735991|17.662495|8.869454|0.028570|0.028377|0.028489|0.032448|0.032616|0.031867|0.031710|0.040174|0.048703|0.052136|0.042061|0.064109|0.076206|0.111388|0.079381|0.500000| |1.013870|1.103101|1.137658|2.208300|1.289770|2.188837|1.432096|1.500433|1.678593|1.807024|1.691965|1.509964|2.824973|2.282702|3.825452|2.748901|2.798965|3.361227|4.310469|4.143016|3.181442|6.688687|7.333728|53.359376|12.562618|5.878179|9.306869|17.733348|8.863033|0.027540|0.027435|0.027681|0.031065|0.031422|0.031071|0.030725|0.039561|0.048052|0.048828|0.040021|0.059927|0.068228|0.090139|0.082324|0.301123|0.500000| |0.944670|1.022136|1.051358|2.027843|1.180953|2.011936|1.300325|1.357972|1.504574|1.606883|1.514274|1.365118|2.478120|1.980900|3.342754|2.337522|2.451300|2.928732|3.472697|3.179849|2.579898|4.711782|4.431259|31.291371|7.584415|4.617801|8.497052|8.855345|17.510665|0.025710|0.025714|0.025702|0.028932|0.028914|0.028590|0.028607|0.035994|0.043025|0.043593|0.036349|0.052352|0.061604|0.082402|0.066562|0.213042|0.212740|0.500000| 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