Version2.1 2020-12-14T10:25:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](C(=O)NC(=O)NC1CCCC1)Sc2nnc(n2c3ccccc3OC)N4CCCCC4 C18518383 RHF 6-31G(d) (6D,7F) C[C@@H](C(=O)NC(=O)NC1CCCC1)Sc2nnc(n2c3ccccc3OC)N4CCCCC4 C01[X(C23H32N6O3S1)] 189 C1 563 COc1ccccc1n1c(nnc1N1CCCCC1)S[C@H](C(=O)NC(=O)NC1CCCC1)C COc1ccccc1n1c(nnc1N1CCCCC1)S[C@H](C(=O)NC(=O)NC1CCCC1)C COc1ccccc1n2c(S[C@@H](C)C(=O)NC(=O)NC3CCCC3)nnc2N4CCCCC4 InChIKey=UDTLTEASAYIHNO-INIZCTEOSA-N InChI=1S/C23H32N6O3S/c1-16(20(30)25-21(31)24-17-10-4-5-11-17)33-23-27-26-22(28-14-8-3-9-15-28)29(23)18-12-6-7-13-19(18)32-2/h6-7,12-13,16-17H,3-5,8-11,14-15H2,1-2H3,(H2,24,25,30,31)/t16-/m0/s1 InChI=1/C23H32N6O3S/c1-16(20(30)25-21(31)24-17-10-4-5-11-17)33-23-27-26-22(28-14-8-3-9-15-28)29(23)18-12-6-7-13-19(18)32-2/h6-7,12-13,16-17H,3-5,8-11,14-15H2,1-2H3,(H2,24,25,30,31)/t16-/m0/s1/f/h24-25H C[C@@H](C(=O)NC(=O)NC1CCCC1)Sc2nnc(n2c3ccccc3OC)N4CCCCC4 C01[X(C23H32N6O3S1)] 189 C01 563 COc1ccccc1n1c(nnc1N1CCCCC1)S[C@H](C(=O)NC(=O)NC1CCCC1)C CO[C]1[CH][CH][CH][CH][C]1[N@]1[C]([N][N][C]1N1CCCCC1)S[C@H](C(=O)NC(=O)NC1CCCC1)C CO[C]1[CH][CH][CH][CH][C]1N2[C]([N][N][C]2N3CCCCC3)S[C@@H](C)C(=O)NC(=O)NC4CCCC4 InChIKey=UDTLTEASAYIHNO-INIZCTEOSA-N InChI=1S/C23H32N6O3S/c1-16(20(30)25-21(31)24-17-10-4-5-11-17)33-23-27-26-22(28-14-8-3-9-15-28)29(23)18-12-6-7-13-19(18)32-2/h6-7,12-13,16-17H,3-5,8-11,14-15H2,1-2H3,(H2,24,25,30,31)/t16-/m0/s1 InChI=1/C23H32N6O3S/c1-16(20(30)25-21(31)24-17-10-4-5-11-17)33-23-27-26-22(28-14-8-3-9-15-28)29(23)18-12-6-7-13-19(18)32-2/h6-7,12-13,16-17H,3-5,8-11,14-15H2,1-2H3,(H2,24,25,30,31)/t16-/m0/s1/f/h24-25H 3705.4429448843 -1838.4119326 1-A 19348.9109 126 437 563 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 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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| 10.6521 14.3564 17.0949 28.4177 31.1933 41.8636 42.3392 45.5619 49.9719 55.4064 58.8769 69.6941 86.5743 91.9563 101.6536 118.7891 128.7669 153.2004 174.5481 182.4319 202.4865 224.8279 240.5860 255.0171 263.5999 266.4367 274.4135 280.0839 285.4592 313.9876 335.5953 342.4273 348.2782 381.7328 387.2496 396.4316 408.7006 440.0668 444.9141 474.1546 489.2514 499.9755 516.5822 541.8160 571.2606 579.2265 598.2550 612.9681 629.6273 660.6321 673.7523 702.1836 742.7091 744.5989 776.0448 781.9774 812.4266 830.5807 836.6019 847.2568 850.4560 853.1335 857.6818 871.5273 879.9663 888.3219 892.0313 896.0438 942.9827 943.9805 968.3795 970.9045 987.6276 998.3171 1015.2103 1029.8108 1051.7389 1060.1804 1069.2717 1077.2163 1086.0235 1104.0624 1111.1564 1115.7009 1117.1539 1131.2384 1132.1032 1146.5288 1156.6066 1167.0232 1178.6341 1196.1100 1204.4500 1215.7738 1217.8181 1234.2704 1242.0801 1245.5852 1253.2484 1283.3427 1286.9896 1293.6982 1315.7127 1321.9906 1323.1568 1326.6837 1341.7300 1351.2454 1364.0884 1372.6748 1388.2932 1392.7929 1399.4171 1404.8102 1413.9665 1419.8445 1431.1801 1440.0283 1445.1088 1452.0099 1470.1348 1482.9513 1491.3374 1497.0459 1499.5221 1507.7329 1529.5140 1530.8946 1535.3134 1545.6858 1569.5166 1572.4048 1578.3270 1616.9785 1626.7282 1630.6796 1632.4518 1633.1405 1636.3534 1641.8269 1644.3740 1646.1297 1646.4595 1650.6438 1651.6756 1658.5291 1667.7279 1671.7474 1689.2988 1697.3475 1718.6652 1780.2671 1784.0612 1789.8465 1808.6158 1975.7454 2047.5153 3157.1217 3183.2613 3188.3296 3191.2738 3196.1633 3206.2763 3207.8835 3215.2371 3218.6289 3231.3769 3231.5752 3240.2378 3245.3296 3245.9945 3253.9608 3260.3757 3270.8283 3273.4804 3287.1333 3293.1160 3293.6439 3293.9863 3301.9798 3313.7580 3317.2381 3341.3455 3371.6392 3387.2782 3401.7814 3412.5175 3757.9755 3860.4489 5.1769 3.1810 4.9717 3.9208 3.8604 2.6590 2.4724 4.0927 5.4731 4.7946 4.6408 4.9949 4.8729 3.8320 4.7930 5.2322 5.3413 3.7929 4.1931 3.7912 3.9712 3.4319 2.4259 1.7088 1.7196 2.1408 1.9758 2.7165 4.3346 3.2579 3.7540 4.8347 4.4998 5.8992 1.3428 3.0279 2.2970 4.4913 5.0153 5.1644 3.1107 2.2779 3.8943 2.5689 3.5616 4.7904 4.2761 4.1153 5.1772 5.6241 2.7403 5.5501 3.8539 5.1724 7.8489 3.6005 1.4545 1.4645 3.4421 5.6040 4.7515 2.4121 1.3863 5.3585 5.3340 1.6061 1.4976 3.1659 3.2836 1.3796 2.3947 1.4903 2.3697 3.5631 3.5732 2.1882 1.7204 1.2712 1.5587 1.4302 1.9203 3.4993 7.4195 2.1814 1.3275 2.0977 2.1692 2.7328 1.5643 4.0432 3.5588 2.4774 1.5699 2.7228 2.8373 3.6255 2.7900 2.3880 2.2335 2.2018 1.2445 1.2652 1.3389 1.4889 1.5855 2.0968 1.5604 1.5334 1.9506 1.7186 1.1785 1.4644 2.2047 1.3482 2.4295 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1.7203 0.7243 1.3231 0.8277 1.3618 2.0923 2.1698 1.3672 1.1212 0.8418 1.0500 0.9778 1.3344 2.5131 5.3973 1.5998 0.9762 1.5816 1.6380 2.1165 1.2329 3.2444 2.9128 2.0882 1.3418 2.3712 2.4793 3.2542 2.5361 2.1829 2.0668 2.1366 1.2145 1.2476 1.3656 1.5331 1.6355 2.1744 1.6551 1.6495 2.1385 1.9079 1.3382 1.6737 2.5438 1.5676 2.8618 1.4129 1.6240 2.5881 2.5431 1.6173 1.7486 1.8340 1.7044 1.8403 4.6237 2.2957 2.0307 2.0344 2.0125 2.0784 1.8132 2.6939 4.7787 2.4966 1.7202 1.6944 1.7045 1.6380 1.6539 2.5320 1.7484 1.7598 1.7865 1.6907 1.7536 1.7180 1.8354 1.8315 7.4910 7.4686 3.0304 4.2884 7.5900 12.7857 11.0378 10.3271 27.9907 6.3148 6.4050 6.4221 6.4138 6.4526 6.4365 6.4527 6.4846 6.3106 6.3827 6.5532 6.7623 6.8568 6.8253 6.8950 6.8475 6.9161 6.9510 7.0525 6.9802 6.9921 6.9628 7.0968 7.0532 7.1431 7.2559 7.2922 7.3856 7.4809 7.5077 9.0023 9.4737 0.2935 0.6876 0.8779 0.4420 1.3596 0.4907 0.2575 0.7834 0.9941 5.4449 1.2396 2.4717 2.3888 3.1968 4.0689 3.4874 5.6478 2.3244 4.1657 0.9193 1.6234 0.5941 1.7126 1.5468 1.2568 1.9263 2.0724 3.7285 2.6027 1.6855 1.3030 2.2035 1.4117 0.2869 34.3076 44.0059 4.2509 3.6746 12.5085 1.7912 1.8846 0.7549 1.9469 1.3833 7.3373 0.6529 3.8835 20.5506 6.6640 4.1363 1.8865 15.6100 4.0624 25.8880 15.9822 4.0593 110.6754 14.0287 20.4258 5.9334 43.1030 23.0190 52.6042 14.1724 20.7377 0.9174 0.5901 0.3182 0.1075 5.2603 0.7000 2.9520 0.9988 20.2045 3.8004 4.7630 1.9848 0.8229 2.8690 3.1082 4.8573 4.4019 28.5992 1.2924 0.2573 0.7543 21.4932 10.1867 0.8399 19.9986 60.0496 24.6351 18.0935 12.6133 2.4242 42.6101 67.6827 6.1827 33.5819 3.9958 0.5056 3.3744 3.6307 1.3112 4.0642 400.2455 7.1688 3.6864 8.5146 118.1574 0.8960 5.2036 26.6063 22.2713 49.5479 13.9488 13.6883 125.9391 115.8314 43.2097 6.7984 3.9361 0.7658 2.9290 42.1133 42.7142 3.3710 3.0058 14.3242 5.6534 1.2912 55.4801 113.8178 53.8728 0.4238 0.1540 6.3081 5.2315 7.0632 12.4825 3.0471 1.2006 14.3360 6.4373 1.8971 22.9086 15.9256 4.7562 106.0837 217.3897 537.7979 567.1672 298.8737 36.5113 31.9078 29.6085 665.8102 33.7902 24.4721 21.2772 43.2847 54.5654 32.9366 19.8920 30.5718 48.3035 42.6398 43.7313 82.1075 36.5837 26.8394 89.8023 8.7072 41.9942 53.9129 41.4107 51.3409 27.3522 1.9473 20.8160 23.7048 13.0232 25.4595 3.8692 14.4298 12.3780 8.4867 338.7432 54.2559 0.2481 0.1026 0.1986 2.1201 0.8025 0.5870 0.7390 0.7248 1.0709 1.9076 0.4550 0.1739 1.6044 1.6646 1.2606 1.1434 0.7627 1.0946 1.8443 1.3696 0.4517 0.8181 0.3286 0.2969 1.2687 0.5113 0.9202 0.3159 3.9821 1.1558 2.8625 0.2373 1.6909 1.6659 1.3294 0.5163 2.2475 1.7272 2.2400 1.0220 0.8734 0.9643 0.4864 1.4416 5.6438 0.9779 1.4311 2.9431 2.8926 14.0549 3.2468 2.9870 3.1584 3.2534 0.8128 11.8129 11.9691 1.2927 1.0443 3.7648 2.4068 2.7475 0.8069 7.4100 2.9599 1.7220 1.4348 11.7564 24.6141 0.7369 1.5237 2.0783 2.0646 1.9769 5.0318 4.7581 0.9343 0.4182 4.1232 0.6274 6.4037 8.6652 8.7889 4.6933 0.1653 10.0254 3.4942 8.0990 7.2783 5.1322 3.9742 7.4953 2.0155 10.2000 5.1470 3.9629 3.5834 2.4701 4.8801 3.1059 2.1931 5.1617 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1664.10 1679.09 1695.79 1720.94 1732.93 1749.23 1752.17 1775.84 1787.08 1792.12 1803.14 1846.44 1851.69 1861.34 1893.02 1902.05 1903.73 1908.80 1930.45 1944.14 1962.62 1974.97 1997.44 2003.92 2013.45 2021.21 2034.38 2042.84 2059.15 2071.88 2079.19 2089.12 2115.20 2133.64 2145.70 2153.92 2157.48 2169.29 2200.63 2202.62 2208.97 2223.90 2258.18 2262.34 2270.86 2326.47 2340.50 2346.18 2348.73 2349.72 2354.35 2362.22 2365.89 2368.41 2368.89 2374.91 2376.39 2386.25 2399.49 2405.27 2430.52 2442.10 2472.78 2561.41 2566.87 2575.19 2602.19 2842.66 2945.92 4542.39 4580.00 4587.30 4591.53 4598.57 4613.12 4615.43 4626.01 4630.89 4649.23 4649.52 4661.98 4669.31 4670.26 4681.72 4690.95 4705.99 4709.81 4729.45 4738.06 4738.82 4739.31 4750.81 4767.76 4772.77 4807.45 4851.04 4873.54 4894.40 4909.85 5406.89 5554.32 0.587893 0.618619 0.619563 0.519172 -1837.824040 -1837.793314 -1837.792370 -1837.892760 3.367097D-04 MUNgauss RevisionA2.0 retrievium 14-Dec-2020 DUDE C[C@@H](C(=O)NC(=O)NC1CCCC1)Sc2nnc(n2c3ccccc3OC)N4CCCCC4 C18518383 RHF 6-31G(d) (6D,10F) C1 472.225661 |X|Y|Z| 111.737959 75.180493 34.804466 66.371295 28 6 7 16 21 6 1 |36.858105| |12.478343|36.858105| |8.838012|17.624664|0.500000| |7.553880|12.393949|0.245092|36.858105| |6.921974|8.010409|0.167183|16.044544|73.516695| |5.121261|7.865170|0.207264|13.876007|14.812192|53.358707| |3.833268|5.040350|0.134874|7.678834|11.570723|18.578359|36.858105| |3.562058|4.326755|0.112201|6.544378|11.818955|11.304289|15.968325|73.516695| |3.177334|4.099711|0.115751|5.290889|8.003760|11.377058|14.008257|15.027850|53.358707| |2.590949|3.145622|0.088387|3.884540|6.324642|7.105589|7.765180|12.092884|17.928440|36.858105| |2.261362|2.714844|0.076855|3.158021|5.130408|5.490726|5.119882|8.045621|10.466679|12.435768|36.858105| |1.958730|2.275907|0.064520|2.606694|4.351457|4.313410|3.901390|6.580498|6.942598|7.823358|12.341474|36.858105| |2.011183|2.311218|0.065782|2.685856|4.537358|4.423755|4.085475|7.143076|6.931222|7.926877|7.699452|12.258631|36.858105| |2.382862|2.802701|0.080479|3.356834|5.556032|5.817742|5.712276|9.579913|10.283543|12.436135|7.942308|7.753307|12.416838|36.858105| |6.971921|10.350444|0.222104|6.822061|9.546445|7.740572|4.144572|6.365073|4.970915|2.875962|2.617393|2.173229|2.127493|2.492274|388.023441| |4.699055|6.821440|0.197454|5.354474|7.357066|7.551596|4.172629|6.083883|5.493609|3.126667|2.950434|2.393878|2.291984|2.687116|77.003027|36.858105| |4.267204|6.267881|0.204383|5.414950|7.238896|8.733508|4.790668|6.638202|6.664897|3.641428|3.420550|2.716937|2.605624|3.130381|49.589152|14.876208|53.358707| |3.298425|4.336156|0.136922|3.923598|5.634982|6.253690|3.867288|5.554005|5.771494|3.376160|3.386098|2.714666|2.535288|2.948347|35.000000|8.877739|18.913845|53.358707| |3.109258|3.921691|0.117934|3.466992|5.136405|5.198060|3.266195|4.868996|4.726178|2.871843|2.921292|2.394813|2.219740|2.511166|35.131545|8.852623|12.124238|20.256628|36.858105| |3.646394|4.653008|0.133495|3.898971|5.751048|5.516150|3.336209|5.030901|4.572163|2.743630|2.703951|2.227637|2.093610|2.380861|49.437204|13.989366|11.945628|11.894693|13.858143|53.358707| |3.311148|3.909564|0.106979|3.316840|5.132629|4.489170|2.806272|4.392181|3.783912|2.350746|2.330356|1.963929|1.845837|2.057773|42.497528|7.625513|7.310911|7.279875|7.547856|18.202702|36.858105| |2.880595|3.342396|0.089223|3.014560|4.797190|4.117616|2.674883|4.254674|3.634107|2.305723|2.323170|1.960607|1.817012|1.994238|34.468069|5.590442|5.906839|5.976477|5.791051|10.685986|13.795779|36.858105| |2.566241|2.839752|0.075239|2.581540|4.231513|3.456405|2.286085|3.724988|3.078630|1.998742|2.012806|1.736290|1.618352|1.754097|27.786213|4.091750|4.532487|4.555836|4.152243|7.005959|7.930442|13.749826|36.858105| |2.557875|2.736871|0.072895|2.425017|4.001162|3.184159|2.087976|3.425121|2.783715|1.811468|1.805553|1.577433|1.489648|1.616974|26.285976|3.725587|4.138928|4.119861|3.689860|6.202602|6.911990|7.991895|13.789030|36.858105| |2.842908|3.019219|0.081561|2.570725|4.184706|3.341835|2.145590|3.491096|2.845050|1.830534|1.806338|1.577189|1.503694|1.648329|29.310091|4.168827|4.535016|4.472266|4.032313|7.002717|7.941520|6.877998|7.899947|13.731357|36.858105| |3.282892|3.638382|0.100171|2.992477|4.722129|3.922743|2.454679|3.912038|3.263505|2.056437|2.019809|1.739145|1.658503|1.841984|37.358998|5.771916|5.902552|5.785981|5.470672|10.623181|13.633018|7.898261|6.818748|7.930602|13.731399|36.858105| |3.555587|3.884404|0.111469|3.062045|4.774910|3.988670|2.455712|3.895306|3.252789|2.038971|1.981835|1.716142|1.657143|1.855856|37.178428|5.820884|6.180654|5.978044|5.353478|9.599313|8.185514|5.288879|4.610580|5.206117|7.884822|14.208055|73.516695| |3.321446|3.383805|0.096550|2.694952|4.315582|3.448665|2.155082|3.483182|2.831399|1.804032|1.745573|1.537448|1.499334|1.668362|29.673540|4.219483|4.794731|4.613245|3.876131|6.334215|5.251365|3.980848|3.782191|4.510224|6.710056|8.011625|24.121901|36.858105| |2.555124|3.059486|0.090501|2.776750|4.262317|4.112880|2.704719|4.146042|3.960794|2.522860|2.648143|2.227004|2.038968|2.241593|26.490981|5.466912|7.423737|10.859946|13.771575|10.736736|6.339347|5.448389|4.132662|3.669347|3.899023|4.942095|8.316492|3.557927|53.358707| |2.254957|2.682469|0.079515|2.535320|3.932139|3.858452|2.638357|4.052670|4.010804|2.630742|2.874749|2.427987|2.175616|2.350901|21.903922|4.255700|6.276601|9.183327|7.967126|7.118862|4.364220|4.107009|3.313299|2.938279|3.022477|3.588919|6.149038|2.812572|17.718640|36.858105| |1.940486|2.239142|0.065266|2.131054|3.383689|3.173804|2.209842|3.481905|3.313991|2.243407|2.471173|2.155682|1.926710|2.030885|18.223274|3.287178|4.630652|5.997190|5.156419|5.431027|3.699519|3.681767|3.160184|2.820825|2.824128|3.179183|5.341701|2.532469|10.615433|12.487794|36.858105| |1.857382|2.099629|0.061480|1.959755|3.130116|2.857462|1.966646|3.128597|2.887260|1.952757|2.100159|1.865833|1.704540|1.800648|17.017816|2.994966|4.131403|5.174084|4.486269|4.959661|3.512079|3.385129|3.022415|2.824740|2.893662|3.209128|5.511703|2.671616|8.971156|7.551756|12.453393|36.858105| |2.036383|2.292318|0.066992|2.084674|3.316726|2.983537|2.008438|3.191731|2.887835|1.917132|2.014040|1.774781|1.642531|1.759123|19.148158|3.387714|4.476287|5.510247|5.144530|5.911025|4.385110|4.052178|3.615299|3.471046|3.668911|4.130590|7.043640|3.337423|10.583886|6.543003|7.582896|12.455172|36.858105| |2.404201|2.772257|0.082598|2.460296|3.830756|3.538924|2.321811|3.624935|3.330597|2.153349|2.229057|1.928773|1.797575|1.964216|23.510442|4.474350|5.919110|7.713109|7.936585|8.277812|5.585299|4.623059|3.829965|3.665384|4.085960|5.096310|9.129919|4.008525|17.671635|7.818733|6.566967|7.574819|12.498879|36.858105| |17.589812|8.837774|0.215287|5.499622|8.863022|5.722291|3.253177|5.342361|3.830325|2.332545|2.081286|1.816651|1.853256|2.166394|46.411276|4.611979|5.576697|4.433110|3.136605|5.046071|3.428320|2.907860|2.615629|2.674320|3.060776|3.553211|7.132850|3.872819|3.536413|2.259994|1.953786|1.899352|2.111466|2.505655|0.500000| |17.609983|8.787664|0.173081|6.815668|12.761792|6.285451|3.625421|6.194097|4.065375|2.477534|2.171085|1.888148|1.929391|2.256544|46.438923|4.220391|5.092627|4.043929|2.864818|4.619585|3.203514|2.870983|2.605504|2.595525|2.831300|3.174987|5.890517|3.121810|3.259990|2.120261|1.849475|1.766457|1.934791|2.247136|0.299739|0.500000| |17.589951|8.875301|0.210193|6.999841|12.236105|6.692443|3.810101|6.445109|4.259482|2.586120|2.225379|1.952890|2.041804|2.434889|36.563853|3.921795|5.141642|4.077264|2.772786|4.252994|2.825014|2.499100|2.246706|2.235377|2.457903|2.795705|5.392158|2.883059|3.153550|2.088371|1.806746|1.731032|1.873579|2.189998|0.300092|0.303087|0.500000| |4.866822|7.783737|0.234444|9.456263|10.860003|25.904142|9.274194|10.763475|10.893204|4.984260|4.098065|3.170115|3.174725|4.120377|43.610315|6.989283|12.745157|8.169002|4.660716|6.568310|3.699155|3.300790|2.703242|2.481336|2.633523|3.172068|5.796040|2.751442|4.801555|3.280954|2.616041|2.339678|2.449536|2.977299|0.116761|0.118460|0.126302|0.500000| |3.200900|4.223272|0.124307|5.058240|7.336805|10.801970|9.337986|10.846033|26.041445|9.053994|7.170513|4.765301|4.577806|6.390865|27.357054|4.582030|8.172834|7.184160|4.075131|5.164546|3.029443|2.858832|2.380539|2.149228|2.215446|2.583340|4.611519|2.226721|4.547714|3.413593|2.730766|2.355442|2.348938|2.757439|0.080207|0.082066|0.086490|0.255460|0.500000| |2.536553|3.019981|0.082532|3.812577|6.485308|6.630512|7.442333|13.740829|12.700588|17.618278|8.849260|6.765741|6.986648|8.893861|19.739906|2.903468|4.427808|4.058821|2.613908|3.483150|2.241638|2.229006|1.955297|1.770576|1.774496|1.970324|3.443940|1.725800|3.148666|2.380654|2.067390|1.812023|1.790006|1.991134|0.062942|0.068668|0.070415|0.122974|0.181585|0.500000| |2.222913|2.664216|0.074121|3.085578|5.054841|5.243458|4.772521|7.634690|8.986253|8.706266|17.572865|8.624501|5.675320|5.668904|18.886181|2.981767|4.576251|4.551768|2.968952|3.778479|2.423767|2.470380|2.138729|1.891865|1.867836|2.075841|3.562326|1.756563|3.694894|2.941127|2.556344|2.145618|2.058395|2.258311|0.056895|0.060021|0.060021|0.108266|0.171264|0.217569|0.500000| |2.292067|2.781060|0.080450|3.138847|4.976536|5.502665|4.797769|7.199804|9.912273|8.856763|17.504729|8.765152|6.242633|6.817499|19.216076|3.170767|5.168271|5.316064|3.276712|3.987577|2.474262|2.435726|2.086284|1.872436|1.887008|2.133078|3.744725|1.840898|4.044864|3.312172|2.778677|2.330120|2.210652|2.469604|0.059204|0.060375|0.062357|0.119887|0.223010|0.174691|0.302746|0.500000| |1.842318|2.115480|0.059193|2.422344|4.113133|3.911632|3.512930|6.128901|5.907971|6.256292|8.736313|17.567305|8.714342|5.850401|14.542498|2.216885|3.348018|3.335605|2.209687|2.833364|1.865642|1.887038|1.687757|1.529672|1.516340|1.655480|2.880958|1.457789|2.823258|2.247674|2.031908|1.762951|1.678864|1.804489|0.047482|0.049874|0.050896|0.078842|0.110920|0.172543|0.221919|0.176698|0.500000| |1.835130|2.120735|0.060730|2.369510|3.931722|3.870646|3.348817|5.570259|5.838466|5.780112|8.732243|17.570925|8.665211|6.049528|14.533433|2.283583|3.537500|3.629002|2.358835|2.938037|1.905185|1.897999|1.684763|1.534927|1.536853|1.693250|2.978833|1.503574|3.037419|2.483103|2.223245|1.919650|1.800067|1.941679|0.047785|0.048938|0.050743|0.080658|0.117768|0.137859|0.188437|0.226312|0.304262|0.500000| |1.939808|2.197435|0.061676|2.575545|4.453998|4.138311|3.842434|7.094813|6.101642|6.655382|6.087745|8.741257|17.551444|8.824657|14.379704|2.130556|3.232113|3.111285|2.033406|2.651318|1.740184|1.724502|1.549880|1.429157|1.436469|1.571636|2.781139|1.424018|2.548605|1.975401|1.769308|1.575984|1.527516|1.661812|0.049472|0.052230|0.054896|0.080723|0.109083|0.191148|0.139051|0.135142|0.228476|0.178725|0.500000| |1.876737|2.131496|0.061265|2.423506|4.092448|3.917289|3.459792|6.012465|5.680292|5.693717|5.770749|8.631108|17.572669|8.697834|13.935222|2.118136|3.276665|3.229445|2.082863|2.655965|1.726149|1.690667|1.513996|1.403511|1.422106|1.565112|2.798121|1.433264|2.631133|2.074666|1.851337|1.651874|1.583394|1.724726|0.048476|0.049796|0.053176|0.079115|0.109078|0.139982|0.124821|0.145576|0.184941|0.222985|0.303764|0.500000| |2.415471|2.860330|0.084387|3.323247|5.361171|5.800203|5.269195|8.300894|9.612716|8.861141|6.953317|6.546865|8.772785|17.503670|17.980831|2.795206|4.550791|4.348799|2.661884|3.370525|2.111446|2.018557|1.766130|1.635682|1.681975|1.894900|3.431152|1.731886|3.226637|2.506323|2.139094|1.900644|1.849926|2.082389|0.061613|0.062561|0.068628|0.119221|0.188785|0.174736|0.139704|0.196009|0.135948|0.161225|0.174399|0.218716|0.500000| |2.457423|2.840855|0.080955|3.467214|5.885852|5.842989|5.773199|10.518754|8.889341|8.703296|5.649703|5.604160|8.646369|17.580754|17.457298|2.567164|4.005095|3.688685|2.331905|3.066195|1.964430|1.896257|1.681055|1.562252|1.597951|1.778486|3.201630|1.633878|2.823012|2.137314|1.859135|1.671038|1.649279|1.841591|0.061500|0.064746|0.070990|0.110551|0.150063|0.216677|0.124946|0.138324|0.130706|0.127666|0.219489|0.193938|0.301530|0.500000| |2.774702|3.290509|0.087787|3.090737|4.907214|4.349063|2.882662|4.555051|3.986847|2.532547|2.590702|2.152928|1.963954|2.148531|32.746167|5.504536|6.114831|6.284655|5.920543|9.896796|8.995619|17.735640|8.885928|5.660871|4.956291|5.643220|7.620411|3.333544|7.568032|4.432221|3.922619|3.409209|3.864351|4.351705|0.076064|0.076834|0.067671|0.096933|0.087215|0.068012|0.077915|0.075404|0.057700|0.057714|0.051659|0.050374|0.060065|0.056189|0.500000| |2.319010|2.547926|0.067263|2.382304|3.962760|3.209963|2.169362|3.574718|2.934559|1.935196|1.965406|1.706198|1.580719|1.695100|23.949801|3.480065|3.999414|4.036184|3.560432|5.682477|5.645001|8.909028|17.741230|8.902105|5.626128|4.925615|6.506205|3.127549|4.912679|3.047070|2.987504|2.820719|3.246997|3.314449|0.064879|0.065989|0.057122|0.068877|0.062411|0.053021|0.058581|0.056122|0.046482|0.045975|0.042259|0.041027|0.047077|0.045077|0.213695|0.500000| |2.306281|2.416354|0.064278|2.170875|3.637323|2.841360|1.887409|3.132979|2.513183|1.656220|1.652555|1.459947|1.382072|1.488997|22.257450|3.089634|3.536328|3.520656|3.062306|4.933832|4.972444|5.667005|8.932327|17.719595|8.958187|5.654530|7.467993|3.912955|4.201204|2.564742|2.517782|2.547531|3.064069|3.126050|0.066929|0.065569|0.056654|0.060819|0.053471|0.045221|0.048092|0.047337|0.039533|0.039513|0.037008|0.036276|0.041709|0.040097|0.124178|0.214418|0.500000| |2.703296|2.780287|0.075512|2.362631|3.888690|3.045856|1.964543|3.224326|2.595094|1.682907|1.654567|1.460368|1.402583|1.533371|25.653507|3.554546|3.992392|3.925383|3.420406|5.663703|5.639072|4.958836|5.644864|8.942823|17.769193|8.893723|12.537366|7.447561|4.540660|2.667005|2.524075|2.639842|3.313962|3.611884|0.082215|0.074819|0.065547|0.066143|0.055872|0.045392|0.047229|0.047905|0.039032|0.039608|0.037315|0.037031|0.043515|0.041513|0.107650|0.124178|0.217365|0.500000| |3.432089|3.452922|0.101591|2.716524|4.328267|3.478808|2.163484|3.490132|2.840457|1.807769|1.738681|1.537663|1.511935|1.690575|28.323495|4.068678|4.811990|4.603443|3.717014|5.815363|4.419679|3.413633|3.180729|3.617956|4.899442|5.893094|17.001350|17.659544|4.589575|2.725224|2.429269|2.567885|3.138256|3.814036|0.113731|0.087168|0.084015|0.077369|0.062250|0.047790|0.048129|0.051103|0.040298|0.041844|0.039791|0.040329|0.049092|0.046149|0.082334|0.074990|0.089050|0.145717|0.500000| |2.794381|2.852736|0.081328|2.354139|3.810855|3.057482|1.949260|3.169199|2.589832|1.672955|1.636770|1.452605|1.410393|1.553187|24.511517|3.573890|4.183423|4.167501|3.539265|5.528356|4.693104|3.746612|3.701053|4.550495|6.697832|6.957210|16.424743|17.572171|4.663467|2.737179|2.537124|2.750038|3.502956|4.022464|0.088229|0.073905|0.068804|0.067485|0.056499|0.044503|0.045872|0.047980|0.038388|0.039674|0.037240|0.037591|0.044766|0.042126|0.087260|0.085897|0.112891|0.227242|0.300048|0.500000| |3.515065|3.439149|0.094935|2.731470|4.447348|3.411337|2.131938|3.484127|2.759605|1.761027|1.690592|1.492320|1.461023|1.625436|30.379350|3.958856|4.446588|4.155450|3.422834|5.702981|4.830831|3.836141|3.764355|4.594756|6.722902|7.117903|16.447175|17.580843|4.237531|2.519005|2.284926|2.370197|2.882678|3.360891|0.115510|0.094040|0.083644|0.074219|0.059528|0.047229|0.047403|0.049035|0.039495|0.040316|0.038790|0.038686|0.046501|0.044504|0.089288|0.087168|0.113187|0.219760|0.299747|0.298566|0.500000| |2.228616|2.642733|0.079991|2.493852|3.856059|3.823147|2.616351|4.007664|4.009368|2.640440|2.873732|2.456862|2.226136|2.414717|20.747563|3.991625|6.180054|9.177811|6.884022|6.279945|3.782645|3.455380|2.857995|2.609738|2.738055|3.250095|5.815321|2.715565|12.279763|17.489054|8.816844|6.756108|5.724112|7.017674|0.062213|0.057556|0.057985|0.090876|0.095912|0.065519|0.079543|0.093541|0.062360|0.070592|0.055642|0.059652|0.072881|0.060860|0.101126|0.073065|0.064013|0.068503|0.074861|0.073208|0.067225|0.500000| |2.297808|2.775393|0.081415|2.696671|4.171803|4.203765|2.928084|4.453773|4.570924|2.998066|3.364992|2.762540|2.418236|2.611550|22.565810|4.383312|6.629165|9.511139|7.494540|7.003370|4.214275|4.121981|3.278775|2.835476|2.859157|3.367643|5.680061|2.608202|12.498180|17.621032|8.829438|5.501734|4.904416|5.676471|0.062926|0.060324|0.059205|0.099482|0.109231|0.074790|0.097213|0.109378|0.070814|0.078240|0.060623|0.063292|0.076874|0.065011|0.130481|0.085191|0.068915|0.069755|0.070103|0.069641|0.066179|0.302893|0.500000| |1.800813|2.067767|0.060299|1.999510|3.195790|3.001033|2.128284|3.371887|3.232273|2.234846|2.510303|2.222723|1.966914|2.042318|16.410796|2.894603|4.162856|5.271200|4.225980|4.569888|3.095150|3.103430|2.716978|2.442793|2.435195|2.702952|4.600103|2.227952|7.676619|8.889947|17.537757|8.802428|5.507527|4.916378|0.050074|0.047727|0.047042|0.068166|0.073710|0.057025|0.071904|0.078898|0.058205|0.064664|0.049980|0.052849|0.059884|0.051588|0.092639|0.072605|0.061526|0.061298|0.060008|0.061879|0.056424|0.215488|0.212038|0.500000| |1.920488|2.209283|0.063344|2.115022|3.382565|3.126097|2.185776|3.467833|3.251668|2.206819|2.432438|2.115401|1.879820|1.972586|18.339793|3.245767|4.433594|5.517326|4.865174|5.433255|3.871956|4.082777|3.533107|3.057831|2.960764|3.263324|5.284985|2.500625|9.557531|8.903237|17.530900|8.844439|6.788323|5.732945|0.053520|0.051397|0.049408|0.070811|0.073431|0.057191|0.071229|0.074685|0.056061|0.060061|0.048349|0.049803|0.056937|0.050301|0.123756|0.094579|0.075817|0.072576|0.065542|0.069752|0.063439|0.173806|0.216743|0.302319|0.500000| |1.822316|2.053703|0.060854|1.915504|3.055385|2.802796|1.930902|3.069546|2.844866|1.930763|2.071858|1.856954|1.708820|1.805917|16.248283|2.852258|4.028983|5.060557|4.175282|4.575309|3.151741|2.964295|2.650447|2.519714|2.629124|2.936533|5.222188|2.572914|7.779752|6.766658|8.853915|17.501219|8.857836|6.786572|0.051876|0.047789|0.047552|0.063888|0.064735|0.049449|0.057992|0.064303|0.048411|0.053445|0.043695|0.046376|0.053462|0.046557|0.082650|0.068602|0.063536|0.067699|0.070171|0.073308|0.063162|0.197676|0.138991|0.215617|0.173755|0.500000| |1.694718|1.891593|0.054872|1.779097|2.873485|2.575790|1.789861|2.878936|2.615386|1.791579|1.931311|1.738097|1.587022|1.658674|15.258108|2.600245|3.551054|4.284454|3.636478|4.224172|3.085582|3.063609|2.835474|2.666138|2.677802|2.869341|4.875563|2.421445|6.717529|5.498015|8.807017|17.545673|8.807653|5.507626|0.048092|0.045119|0.044029|0.057820|0.058517|0.046565|0.055070|0.058862|0.046018|0.049756|0.041007|0.042824|0.048305|0.042893|0.085666|0.075056|0.068153|0.068646|0.064371|0.070050|0.060448|0.138610|0.123330|0.209584|0.214946|0.303182|0.500000| |1.937233|2.141232|0.062693|1.935630|3.101605|2.739073|1.843227|2.952680|2.626464|1.752748|1.825603|1.628444|1.522474|1.627558|17.606505|3.014922|3.976386|4.728911|4.216887|5.075226|3.825014|3.496182|3.242917|3.250527|3.507470|3.837452|6.774618|3.364391|7.659830|4.903408|5.506351|8.798121|17.535779|8.888384|0.056326|0.051101|0.049746|0.061953|0.058894|0.045625|0.051494|0.055310|0.042859|0.045908|0.039472|0.040994|0.047575|0.042680|0.090958|0.081208|0.081460|0.091240|0.088680|0.101270|0.079986|0.128465|0.107909|0.123245|0.138906|0.215710|0.209374|0.500000| |2.020353|2.264662|0.065052|2.067856|3.312984|2.934851|1.980671|3.166536|2.827054|1.879531|1.973546|1.735764|1.600607|1.708756|19.357492|3.350941|4.292153|5.113130|4.858621|5.952894|4.752963|4.649354|4.265012|4.029530|4.090391|4.427572|7.076903|3.340621|9.541718|5.718181|6.783698|8.834132|17.534264|8.914777|0.058023|0.053950|0.051312|0.066302|0.063230|0.049207|0.056694|0.059500|0.045986|0.048604|0.041606|0.042629|0.049411|0.044601|0.121336|0.106555|0.098336|0.100460|0.084754|0.098138|0.081549|0.132034|0.128255|0.138864|0.198415|0.173685|0.214593|0.302105|0.500000| 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