Version2.4 2021-06-07T06:25:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)[C@H]2C(=C(C(=O)N2CCOCCO)[O-])C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4 C40111007 RHF 6-31G(d) (6D,7F) c1ccc(cc1)[C@H]2C(=C(C(=O)N2CCOCCO)[O-])C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4 C01[X(C26H29N2O7S1)] 189 C1 602 OCCOCCN1C(=O)C(=C([C@@H]1c1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1)[O-] OCCOCCN1C(=O)C(=C([C@@H]1c1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1)[O-] OCCOCCN1[C@@H](c2ccccc2)C(=C([O-])C1=O)C(=O)c3ccc(cc3)[S](=O)(=O)N4CCCCC4 InChIKey=USPNIYRFPLPWLR-QHCPKHFHSA-M InChI=1S/C26H30N2O7S/c29-16-18-35-17-15-28-23(19-7-3-1-4-8-19)22(25(31)26(28)32)24(30)20-9-11-21(12-10-20)36(33,34)27-13-5-2-6-14-27/h1,3-4,7-12,23,29,31H,2,5-6,13-18H2/p-1/t23-/m0/s1 InChI=1/C26H30N2O7S/c29-16-18-35-17-15-28-23(19-7-3-1-4-8-19)22(25(31)26(28)32)24(30)20-9-11-21(12-10-20)36(33,34)27-13-5-2-6-14-27/h1,3-4,7-12,23,29,31H,2,5-6,13-18H2/p-1/t23-/m0/s1/fC26H29N2O7S/h31h/q-1 c1ccc(cc1)[C@H]2C(=C(C(=O)N2CCOCCO)[O-])C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4 C01[X(C26H29N2O7S1)] 189 C01 602 OCCOCCN1C(=O)C(=C([C@@H]1c1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1)[O-] OCCOCCN1[C@@H]([C]2[CH][CH][CH][CH][CH]2)[C]([C](=O)C1=O)[C](=O)[C]1[CH][CH][C]([CH][CH]1)[S]([O])([O])N1CCCCC1 [O][S]([O])([C]1[CH][CH][C]([CH][CH]1)C(=O)[C]2[C@H]([C]3[CH][CH][CH][CH][CH]3)N(CCOCCO)C(=O)C2=O)N4CCCCC4 InChIKey=GCWATZSTPHSKLX-QHCPKHFHSA-N InChI=1S/C26H29N2O7S/c29-16-18-35-17-15-28-23(19-7-3-1-4-8-19)22(25(31)26(28)32)24(30)20-9-11-21(12-10-20)36(33,34)27-13-5-2-6-14-27/h1,3-4,7-12,23,29H,2,5-6,13-18H2/t23-/m0/s1 InChI=1/C26H29N2O7S/c29-16-18-35-17-15-28-23(19-7-3-1-4-8-19)22(25(31)26(28)32)24(30)20-9-11-21(12-10-20)36(33,34)27-13-5-2-6-14-27/h1,3-4,7-12,23,29H,2,5-6,13-18H2/t23-/m0/s1 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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| 11.5649 16.2704 19.9353 28.3395 38.1416 40.2081 48.8856 49.9929 54.9563 65.0277 80.7506 81.7122 92.7688 106.2782 122.0637 126.5039 145.3129 156.6734 187.6238 197.0078 207.5595 214.9240 240.0831 254.7602 263.4120 278.4104 289.5370 297.2246 309.7864 339.2055 343.2132 368.5191 382.1615 389.2671 398.4085 412.7713 428.7088 437.9163 456.3337 457.3207 480.5003 489.1943 491.2377 516.3717 534.0468 539.2765 544.1114 573.3309 590.0915 604.6797 618.7577 650.5081 667.0413 677.0458 684.5860 689.6631 741.1538 756.7705 774.1900 786.3054 801.5478 807.1006 846.3480 861.3524 870.1690 880.1451 893.4688 896.6404 901.5237 912.5037 920.3146 945.9811 955.5154 960.5995 965.4694 970.7008 982.0212 984.4075 1007.9310 1022.3878 1039.0330 1063.7742 1087.9163 1097.2658 1099.3275 1104.8517 1112.7770 1114.3254 1117.4921 1124.6642 1128.0107 1129.6879 1157.1714 1158.8107 1164.9470 1183.0227 1195.9523 1202.6965 1203.4533 1218.3384 1219.9520 1246.0361 1248.2031 1261.7084 1281.1664 1290.4172 1292.7825 1295.3625 1300.0514 1302.4691 1302.7310 1308.1417 1330.8452 1342.8631 1360.8496 1365.8937 1377.8545 1386.1144 1405.2225 1426.7307 1442.5862 1443.7720 1447.2690 1454.7307 1455.9839 1462.8899 1474.3356 1493.9740 1515.7998 1529.0760 1530.3174 1532.2561 1534.9776 1541.5023 1550.3401 1552.7167 1569.4233 1573.3229 1579.6368 1594.1441 1621.8334 1626.3964 1626.5835 1632.8178 1639.4659 1641.1410 1645.8126 1649.4457 1655.4210 1664.7286 1667.6604 1667.7894 1668.9861 1752.9037 1785.7115 1797.5221 1806.2001 1808.6753 1928.8724 1952.5003 3171.4991 3173.5472 3176.1332 3185.3294 3190.2455 3191.6946 3200.1710 3206.8658 3207.2067 3223.0570 3228.3465 3233.6067 3244.3235 3245.1003 3247.5090 3253.9378 3333.3697 3334.5615 3336.3431 3340.3922 3350.5459 3361.5356 3374.6379 3380.7079 3387.2926 3392.3823 3404.6178 3409.1889 3923.4943 5.4332 6.0764 6.5045 4.6868 4.7666 5.1167 3.5302 3.4096 5.7230 5.2822 5.1934 5.8244 5.5196 4.0442 6.0384 4.8284 8.5008 6.0101 5.1579 4.8766 3.5672 6.6884 5.5778 5.8657 4.5230 2.7297 6.2573 3.5089 2.8223 6.2087 7.0228 4.9457 3.5516 4.1256 5.2910 3.6818 7.1647 3.6656 3.0150 2.9197 2.1946 3.5042 3.0666 3.3808 5.1336 2.6377 2.5652 4.7519 6.4014 4.9837 3.6631 4.1541 5.9131 6.3951 6.2979 6.8794 2.6308 1.5707 2.5453 1.7075 5.3144 4.1678 3.4522 3.2528 4.1140 4.3262 3.2272 1.4636 3.2054 7.6868 4.1794 1.3713 1.2538 1.4329 2.4197 1.8510 2.2313 2.4011 2.1590 3.0403 1.5021 1.2563 5.8798 1.4228 1.4521 2.8698 1.6638 1.3666 1.9693 2.8222 2.0872 2.3025 1.5692 2.8733 2.4580 1.7594 3.2210 1.8982 2.1683 3.3231 2.1921 3.1250 2.5511 6.3004 2.4573 1.2343 2.5732 2.4260 1.1760 4.1002 1.7418 1.6662 1.6536 3.1845 4.7979 1.9654 1.1977 2.0295 1.2242 1.1933 1.2894 1.4319 1.3797 1.2440 6.5640 1.5327 1.3154 1.3242 1.3705 1.5228 1.4365 1.4576 1.4303 2.1327 2.6574 1.3221 1.4375 1.4128 1.4243 1.2061 2.1363 1.1013 3.3525 1.0858 1.1449 1.0905 1.1067 1.0970 1.0938 1.1188 2.1419 1.9974 1.1724 6.4440 5.1710 6.1485 8.4979 5.6072 11.4673 12.8221 1.0739 1.0601 1.0737 1.0675 1.0658 1.0838 1.0628 1.0606 1.0685 1.1040 1.0749 1.0935 1.1009 1.1057 1.0992 1.1048 1.0917 1.0930 1.0937 1.0856 1.0897 1.0933 1.0973 1.0901 1.0951 1.0894 1.0945 1.0957 1.0681 0.0004 0.0009 0.0015 0.0022 0.0041 0.0049 0.0050 0.0050 0.0102 0.0132 0.0200 0.0229 0.0280 0.0269 0.0530 0.0455 0.1058 0.0869 0.1070 0.1115 0.0905 0.1820 0.1894 0.2243 0.1849 0.1247 0.3091 0.1826 0.1596 0.4209 0.4874 0.3957 0.3056 0.3683 0.4948 0.3696 0.7758 0.4142 0.3699 0.3598 0.2985 0.4941 0.4360 0.5311 0.8626 0.4520 0.4474 0.9203 1.3133 1.0736 0.8263 1.0357 1.5501 1.7272 1.7390 1.9279 0.8514 0.5300 0.8988 0.6220 2.0117 1.5996 1.4570 1.4219 1.8354 1.9745 1.5179 0.6933 1.5349 3.7711 2.0856 0.7230 0.6745 0.7790 1.3289 1.0276 1.2678 1.3709 1.2923 1.8724 0.9555 0.8376 4.1002 1.0093 1.0340 2.0640 1.2139 0.9998 1.4489 2.1032 1.5647 1.7313 1.2380 2.2733 1.9654 1.4508 2.7144 1.6177 1.8502 2.9062 1.9222 2.8586 2.3418 5.9093 2.3764 1.2110 2.5339 2.3984 1.1710 4.0982 1.7416 1.6799 1.7256 3.3834 5.2351 2.1604 1.3397 2.2975 1.4243 1.4312 1.5809 1.7586 1.7027 1.5511 8.1985 1.9326 1.6847 1.7414 1.8553 2.0978 1.9821 2.0163 1.9856 2.9858 3.7632 1.8780 2.0861 2.0605 2.0940 1.8059 3.3107 1.7164 5.2261 1.7056 1.8131 1.7305 1.7663 1.7585 1.7661 1.8267 3.5097 3.2734 1.9241 11.6660 9.7152 11.7048 16.3339 10.8072 25.1373 28.7998 6.3640 6.2908 6.3813 6.3817 6.3913 6.5052 6.4129 6.4265 6.4757 6.7572 6.6005 6.7368 6.8274 6.8602 6.8302 6.8924 7.1469 7.1608 7.1727 7.1368 7.2075 7.2790 7.3624 7.3406 7.4027 7.3866 7.4748 7.5035 9.6874 0.8213 1.7108 2.4783 2.3961 0.9767 0.2120 0.2545 0.1936 1.3139 2.5631 1.1454 3.6060 4.2222 2.8672 5.2818 1.0896 2.6735 4.5209 0.6153 2.1569 1.4626 3.2550 1.1444 0.4872 2.3816 0.0355 1.0375 0.9611 0.2429 0.8804 1.4445 1.7797 5.8820 6.0525 0.2695 2.4926 30.9377 26.9034 0.5399 0.0890 16.3844 8.0251 0.4479 9.0441 2.4192 5.4079 15.5177 18.3131 24.3501 10.5345 16.5275 91.7846 88.5317 2.9111 14.9930 7.4578 121.6182 76.2898 33.6785 11.6851 177.1322 295.1594 16.9877 11.7835 6.5378 21.1799 2.4242 0.8927 16.4553 17.7368 3.1277 19.8639 0.2909 3.6190 25.0986 14.1283 3.8224 0.8075 29.6840 118.9361 7.1271 1.8713 0.4404 1.6765 5.0418 29.5568 1.0014 0.8091 6.0658 14.6437 27.0134 2.2011 0.3185 5.0126 76.6980 4.2873 95.0938 30.3463 20.0151 34.2386 1.8033 52.8373 23.1381 249.7092 72.9230 3.0659 109.9297 49.1285 0.9919 4.5805 15.2705 21.5658 2.6728 73.3566 28.2011 9.1477 18.1269 158.7928 3.0111 33.3080 66.0811 28.2032 20.2139 21.3904 151.5301 19.1594 12.3559 2.7729 49.6990 387.5878 6.5330 1.1527 9.8808 374.8910 309.0609 7.8307 10.3581 69.4275 32.5189 55.4323 79.3557 1.8670 336.0162 4.1508 14.2729 6.7703 6.3982 4.5437 0.6455 1.2246 8.6368 2.6232 15.9440 14.5051 0.4544 155.0855 304.2373 61.9055 615.6980 825.1222 5.4300 12.9260 43.0551 40.8180 32.4887 50.1579 198.4927 59.4048 12.8909 47.4414 64.4015 93.6201 56.7266 26.5129 108.8439 96.9273 9.6205 4.3616 12.2460 1.3730 6.9294 58.7134 44.0546 7.7472 8.9434 1.8647 4.6049 3.7945 746.9809 0.5489 0.2599 0.3135 1.5475 0.4836 0.5642 5.2224 2.9863 3.0401 1.3402 2.0924 6.2783 0.2827 0.4324 1.1795 0.8708 0.2413 1.8886 1.7760 1.2065 0.2629 1.6357 2.1289 2.6518 2.7471 0.2628 1.7467 1.9805 0.2416 0.6447 1.8003 2.2791 2.3485 1.1797 0.9909 3.1811 1.3196 1.6761 0.5526 0.1068 1.3532 1.1363 0.7319 1.1021 0.7582 1.0482 1.1186 1.5502 0.7469 4.4169 1.4917 1.3314 2.8972 4.9902 5.2701 3.4002 5.8413 4.6902 7.4364 7.8720 9.9434 1.8092 2.0571 13.3751 4.9501 7.2128 2.5083 0.9387 9.0296 2.6316 2.7947 3.5431 2.7633 4.7898 2.8259 7.6567 5.8098 1.1741 2.9359 0.3590 1.7955 0.2772 24.8819 0.6079 0.8096 0.8880 1.1167 0.7348 1.6675 6.3738 12.5952 6.9334 6.1057 1.2527 16.3637 0.4099 15.4627 4.2288 2.2851 5.3224 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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 1.00783 1.00783 9726.3157 37837.1960 39371.4799 0.99990 -0.00607 -0.01278 0.00552 0.99905 -0.04324 0.01303 0.04317 0.99898 1 0.00891 0.00229 0.00220 0.18555 0.04770 0.04584 16.64 23.41 28.68 40.77 54.88 57.85 70.34 71.93 79.07 93.56 116.18 117.57 133.47 152.91 175.62 182.01 209.07 225.42 269.95 283.45 298.63 309.23 345.43 366.54 378.99 400.57 416.58 427.64 445.71 488.04 493.81 530.22 549.85 560.07 573.22 593.89 616.82 630.06 656.56 657.98 691.33 703.84 706.78 742.94 768.37 775.90 782.85 824.90 849.01 870.00 890.25 935.94 959.72 974.12 984.97 992.27 1066.36 1088.82 1113.89 1131.32 1153.25 1161.24 1217.71 1239.29 1251.98 1266.33 1285.50 1290.07 1297.09 1312.89 1324.13 1361.06 1374.77 1382.09 1389.10 1396.62 1412.91 1416.34 1450.19 1470.99 1494.94 1530.53 1565.27 1578.72 1581.69 1589.64 1601.04 1603.27 1607.82 1618.14 1622.96 1625.37 1664.91 1667.27 1676.10 1702.11 1720.71 1730.41 1731.50 1752.92 1755.24 1792.77 1795.89 1815.32 1843.31 1856.62 1860.03 1863.74 1870.48 1873.96 1874.34 1882.12 1914.79 1932.08 1957.96 1965.22 1982.43 1994.31 2021.80 2052.75 2075.56 2077.27 2082.30 2093.03 2094.84 2104.77 2121.24 2149.50 2180.90 2200.00 2201.79 2204.57 2208.49 2217.88 2230.59 2234.01 2258.05 2263.66 2272.75 2293.62 2333.46 2340.02 2340.29 2349.26 2358.83 2361.24 2367.96 2373.18 2381.78 2395.17 2399.39 2399.58 2401.30 2522.04 2569.24 2586.23 2598.72 2602.28 2775.22 2809.21 4563.08 4566.03 4569.75 4582.98 4590.05 4592.14 4604.33 4613.96 4614.46 4637.26 4644.87 4652.44 4667.86 4668.98 4672.44 4681.69 4795.98 4797.69 4800.25 4806.08 4820.69 4836.50 4855.35 4864.08 4873.56 4880.88 4898.49 4905.06 5645.03 0.566149 0.597036 0.597980 0.498822 -2031.305590 -2031.274703 -2031.273759 -2031.372917 3.325776D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE c1ccc(cc1)[C@H]2C(=C(C(=O)N2CCOCCO)[O-])C(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4 C40111007 RHF 6-31G(d) (6D,10F) C1 513.169548 |X|Y|Z| 57.364470 48.814282 135.964618 72.477844 25 6 7 16 22 2 1 |36.858105| |13.700096|36.858105| |7.924087|13.797124|36.858105| |6.811532|7.895894|13.663298|36.858105| |7.938570|6.905210|7.980716|13.748198|36.858105| |13.797983|7.960933|6.886381|7.879522|13.700514|36.858105| |4.402339|4.990230|7.489440|12.446501|7.506452|4.981885|36.858105| |4.004944|4.204699|5.604458|8.994230|7.438515|4.822636|17.532298|0.500000| |3.685606|4.298194|6.113326|7.390747|5.153911|3.915112|12.532879|0.241931|36.858105| |3.137689|3.720571|5.060792|5.389913|3.966159|3.209261|7.914158|0.167702|13.460863|36.858105| |3.184008|3.750168|5.084360|5.506418|4.071782|3.276845|8.101589|0.173212|8.096183|12.371594|36.858105| |2.765947|3.215927|4.079750|4.206552|3.327671|2.801602|5.420179|0.127632|5.411952|7.758782|15.765615|73.516695| |3.790059|4.379037|6.200145|7.740284|5.425085|4.067658|13.023939|0.255000|8.172710|8.164238|14.167845|14.882621|53.358707| |3.663080|4.028135|5.141609|6.170554|5.065433|3.979780|7.468837|0.189261|5.107305|5.102494|7.760891|11.846834|17.974192|36.858105| |3.096553|3.213563|3.857179|4.754187|4.401369|3.500304|5.829374|0.177646|4.264058|4.152819|5.580274|9.044482|10.430234|12.492034|36.858105| |2.592927|2.723437|3.250416|3.854356|3.509208|2.864934|4.950724|0.149859|4.067177|4.199675|5.595408|9.679001|8.761792|7.798892|13.638769|73.516695| |2.249363|2.358323|2.727540|3.077302|2.846461|2.429886|3.696285|0.107548|3.215676|3.427822|4.435543|8.457629|6.359528|5.672877|7.884259|24.158013|36.858105| |2.112140|2.265520|2.625658|2.849232|2.561333|2.220270|3.412288|0.094495|3.136212|3.553213|4.672158|9.979012|6.011112|4.967333|5.535417|13.928753|12.547651|36.858105| |2.261394|2.472461|2.872325|3.021364|2.660087|2.329147|3.526043|0.093528|3.215129|3.724461|5.175389|12.092041|6.516091|5.564467|5.358783|11.230203|7.852205|13.681073|73.516695| |2.699506|3.172497|4.046192|4.089468|3.203146|2.710546|5.288932|0.122760|7.886145|15.798208|7.979091|11.829284|7.504494|3.977916|3.387647|6.289722|3.045859|3.276545|6.084136|73.516695| |3.490984|3.936006|5.104247|5.845949|4.630217|3.702574|7.294614|0.176927|13.399248|7.581201|5.094773|6.962530|6.982756|3.762862|3.346968|5.738069|2.650315|2.578402|4.628451|10.996891|36.858105| |3.032305|3.429558|4.203592|4.410065|3.651175|3.107299|5.094707|0.126475|8.068239|6.405025|4.301486|6.238443|5.541708|3.129916|2.810433|4.925466|2.352789|2.341030|4.211161|11.021431|15.694636|73.516695| |3.656473|3.825494|4.631856|5.675323|5.167703|4.109909|6.255357|0.176386|7.520669|4.932471|3.942481|5.626719|5.851246|3.420874|3.191066|5.346851|2.471515|2.330068|4.123643|7.420141|12.478966|14.652621|36.858105| |3.812550|3.879189|4.344279|4.890447|4.764505|4.172053|4.685229|0.128511|5.244513|3.861434|3.210507|4.753974|4.725649|2.901132|2.692485|4.465628|2.124631|2.016236|3.607165|6.092191|7.570263|11.674266|13.687686|36.858105| |3.521397|3.370548|3.571693|4.033617|4.302000|3.968120|3.793021|0.109127|3.940464|3.076826|2.689157|4.085655|3.999474|2.571146|2.459464|4.070700|1.959719|1.838439|3.262036|4.928305|5.018067|8.055896|7.901604|13.801733|36.858105| |3.170486|2.981363|3.190255|3.754234|4.153141|3.724803|3.679785|0.112311|3.675707|2.904134|2.604671|3.980632|3.922789|2.572689|2.552560|4.245093|2.033420|1.874879|3.273670|4.626989|4.428174|6.935035|6.856235|7.959184|13.695813|36.858105| |3.072761|2.949809|3.289757|4.063005|4.400078|3.672931|4.294486|0.139744|4.236702|3.277188|2.944959|4.442492|4.486214|2.907776|2.959526|4.971568|2.327828|2.116026|3.639085|5.122827|4.985478|7.412357|7.895380|6.869808|7.901185|13.738229|36.858105| |3.275320|3.287393|3.881933|4.972251|4.928884|3.852449|5.774151|0.190499|6.029643|4.287916|3.681641|5.351344|5.610210|3.422238|3.399921|5.752237|2.620907|2.401922|4.142010|6.475427|7.475133|9.938495|13.713610|7.953191|6.872588|7.960309|13.754524|36.858105| |2.677594|2.464630|2.542223|2.888847|3.247842|3.094504|2.799139|0.084788|2.749403|2.292914|2.116803|3.324996|3.157171|2.148066|2.169283|3.628345|1.781116|1.640132|2.853899|3.731519|3.140989|5.138069|4.192608|4.739278|6.958132|10.784613|6.969962|4.738426|388.023441| |2.528711|2.311031|2.394763|2.766154|3.161737|2.979321|2.720387|0.084552|2.595872|2.191398|2.071350|3.275411|3.120185|2.168620|2.250327|3.763593|1.849469|1.677334|2.889387|3.548089|2.850611|4.597267|3.674149|3.830151|4.954938|7.334855|6.447240|4.400856|94.555735|73.516695| |2.776033|2.507460|2.503073|2.759726|3.130147|3.144234|2.575753|0.075933|2.520508|2.125931|1.973666|3.120124|2.938157|2.015042|2.000736|3.314495|1.643418|1.524913|2.684724|3.477771|2.855073|4.738765|3.672788|4.394126|6.425386|7.332335|4.964485|3.833044|94.575190|13.624953|73.516695| |2.230312|2.111868|2.192678|2.435100|2.620226|2.487800|2.428415|0.072525|2.472470|2.114835|1.929314|3.066278|2.803441|1.897672|1.919408|3.286070|1.634489|1.523836|2.637794|3.522139|2.859790|4.872495|3.642145|4.042063|5.394070|6.930030|5.384043|4.027878|82.046055|13.711235|13.712094|53.358707| |2.040832|1.961149|2.071856|2.320038|2.453231|2.276439|2.392435|0.072343|2.456947|2.125820|1.939170|3.095309|2.793365|1.889372|1.941345|3.383752|1.685503|1.568771|2.682503|3.561672|2.817643|4.813829|3.504168|3.621327|4.408209|5.703778|5.317190|4.059958|50.885626|11.649371|8.875420|17.700880|36.858105| |1.765642|1.706930|1.788326|1.963168|2.052454|1.933039|2.021722|0.060215|2.089221|1.854769|1.700689|2.753816|2.416962|1.648007|1.691575|2.974813|1.506302|1.414847|2.419164|3.158068|2.363354|4.132366|2.797181|2.896987|3.377131|3.970511|3.743017|3.107756|34.303369|8.124924|6.969511|10.617556|12.481496|36.858105| |1.718048|1.674797|1.745320|1.882429|1.943329|1.848444|1.924289|0.056258|2.023138|1.808044|1.639705|2.661150|2.305680|1.561216|1.578290|2.774734|1.410958|1.341008|2.311089|3.114386|2.320440|4.160719|2.702897|2.879949|3.322676|3.640588|3.313732|2.866040|29.922164|6.580397|6.580422|9.000477|7.551927|12.459770|36.858105| |1.844402|1.782165|1.832240|1.960529|2.043383|1.976198|1.959283|0.056817|2.048512|1.813829|1.644582|2.658321|2.328179|1.576671|1.576397|2.735314|1.387426|1.318756|2.293819|3.107060|2.365294|4.233986|2.795790|3.120656|3.751443|3.969150|3.369274|2.884513|34.302441|6.969900|8.124874|10.617692|6.534781|7.592338|12.459763|36.858105| |2.162561|2.075212|2.139573|2.315781|2.438084|2.346339|2.292762|0.066760|2.392767|2.066018|1.858765|2.964064|2.661301|1.785949|1.775545|3.048894|1.526457|1.442986|2.517636|3.490458|2.820924|4.973330|3.501555|4.078570|5.332250|5.699752|4.395988|3.604275|50.878600|8.874470|11.650975|17.698673|7.748169|6.534607|7.552072|12.481664|36.858105| |17.700542|8.883404|5.638030|4.918724|5.639450|8.915457|3.525506|0.091046|3.066472|2.683594|2.717717|4.302133|4.272500|3.091246|2.682426|4.060931|2.021675|1.908307|3.627242|4.208583|2.964582|4.714472|3.115114|3.322669|3.171360|2.864237|2.723562|2.828751|17.862881|4.216678|4.741240|2.870105|1.915980|1.676598|1.639773|1.772483|2.059712|0.500000| |8.895744|17.699431|8.942454|5.628969|4.967310|5.654443|4.076528|0.096497|3.732452|3.394074|3.399560|5.351046|5.126155|3.497012|2.819646|4.350316|2.166529|2.119615|4.150227|5.330393|3.476372|5.619030|3.303509|3.400739|2.980217|2.625292|2.574279|2.841720|15.774518|3.685929|4.050133|2.638222|1.802217|1.589601|1.574230|1.677152|1.930041|0.214276|0.500000| |5.640235|8.934449|17.725664|8.920508|5.669050|4.959735|6.983980|0.140823|6.579310|5.992455|5.868274|8.332546|8.755820|5.021935|3.693024|5.743657|2.745344|2.727244|5.395936|8.548863|5.262492|7.998158|4.350889|4.007668|3.242268|2.893712|3.006999|3.601139|16.524180|3.885311|4.044635|2.796947|1.963765|1.712763|1.683870|1.755005|2.026847|0.124046|0.215811|0.500000| |5.653223|4.967242|5.660045|8.931299|17.697629|8.922712|6.981737|0.230259|4.838752|3.732413|3.840840|5.633293|6.935403|4.890087|4.678339|6.622574|2.970701|2.600727|4.675238|5.400944|4.425862|6.190257|5.220286|4.637067|4.390424|4.572714|5.116965|5.552528|25.369669|6.403971|5.901109|3.835168|2.667279|2.197772|2.041760|2.127616|2.546901|0.124192|0.107742|0.124407|0.500000| |8.919087|5.648541|4.957911|5.625167|8.905356|17.702874|4.073653|0.114830|3.308315|2.764423|2.821923|4.377893|4.665207|3.443117|3.185782|4.690651|2.269012|2.055707|3.787819|4.232312|3.203094|4.876959|3.648046|3.773172|3.814324|3.704887|3.581344|3.563132|22.979420|5.634604|5.946633|3.465248|2.305737|1.958707|1.858999|1.998312|2.369712|0.214521|0.124094|0.107622|0.215848|0.500000| |3.263793|3.651092|4.493053|4.869752|4.055691|3.395970|5.598974|0.139615|4.373113|4.729419|7.475607|13.649148|12.638757|17.660175|8.883634|12.451332|5.915884|5.692272|12.976458|6.887695|3.311398|5.078247|2.958196|2.561919|2.279260|2.262124|2.515768|2.918870|13.658372|3.435331|3.229757|2.343131|1.717002|1.516807|1.446277|1.458217|1.634930|0.078464|0.091653|0.128374|0.107308|0.082782|0.500000| |4.386759|4.734790|5.883172|7.055936|6.061267|4.809405|6.948892|0.175898|4.646155|4.388094|5.892222|9.065151|12.531610|17.541705|8.937683|10.117256|4.500508|3.958145|7.874373|6.214448|3.583395|5.305960|3.373746|2.946920|2.640524|2.623769|2.904842|3.339427|15.667647|3.949251|3.724489|2.609557|1.881779|1.637842|1.553202|1.584482|1.803588|0.100901|0.110904|0.148531|0.155115|0.113178|0.302385|0.500000| |2.939899|2.990447|3.434761|4.055744|3.934992|3.296178|4.530397|0.134916|3.472121|3.405708|4.403720|7.527273|7.630388|8.911294|17.502093|16.494885|7.567071|5.195600|9.118085|5.116863|2.839222|4.334831|2.752985|2.394673|2.228320|2.314800|2.629302|2.920240|14.345181|3.749382|3.343051|2.431129|1.799472|1.581970|1.475767|1.477322|1.652366|0.072098|0.073821|0.090728|0.115443|0.085221|0.213941|0.219475|0.500000| |3.257383|3.281532|3.921942|5.141534|5.052184|3.853791|6.318934|0.219864|4.438717|4.032887|4.965497|7.652338|9.440955|8.861478|17.564079|16.922317|5.953635|4.383807|7.377704|5.810330|3.570798|5.220918|3.557445|2.961942|2.735848|2.903484|3.451139|3.949189|17.373187|4.565544|3.951342|2.894338|2.152631|1.848693|1.706775|1.705084|1.938428|0.077784|0.078527|0.100930|0.160740|0.098524|0.174140|0.214442|0.302463|0.500000| |2.267028|2.353565|2.671610|2.980967|2.811301|2.443268|3.419059|0.098755|2.918499|3.057762|3.923228|7.444719|5.810557|5.559483|7.649517|16.468300|17.526781|8.920946|12.938638|4.837180|2.433906|3.850734|2.301020|2.012590|1.872818|1.939133|2.190084|2.425250|12.211116|3.179876|2.842641|2.131907|1.602120|1.435375|1.345427|1.330635|1.462685|0.056966|0.060204|0.073877|0.081082|0.063805|0.165705|0.129037|0.250169|0.158050|0.500000| |2.050843|2.124500|2.425406|2.739963|2.586602|2.227104|3.262619|0.097060|2.911293|3.056991|3.724887|6.949549|5.275347|4.430679|6.040598|16.810062|17.505225|8.916056|10.158835|4.923719|2.471051|3.936645|2.340706|2.018682|1.883427|1.977265|2.274268|2.524895|12.457039|3.263435|2.854676|2.205893|1.688651|1.516204|1.411829|1.377456|1.506054|0.051617|0.054381|0.067458|0.076097|0.058545|0.123721|0.102720|0.163832|0.143300|0.300915|0.500000| |1.899758|2.019885|2.293345|2.457704|2.250321|1.987450|2.858003|0.079588|2.665006|2.978170|3.710798|7.759130|4.806562|3.938632|4.383638|10.169174|8.979475|17.507585|16.825794|5.003296|2.254862|3.692717|2.063349|1.811203|1.668869|1.705316|1.908253|2.130493|10.760133|2.759461|2.509357|1.926535|1.460141|1.328463|1.259964|1.236113|1.342196|0.048238|0.052982|0.065916|0.063570|0.051672|0.123493|0.091834|0.120486|0.100987|0.212418|0.223545|0.500000| |2.073412|2.238640|2.622898|2.854101|2.533615|2.179050|3.520803|0.097319|3.371700|3.934663|5.047100|10.863946|6.104597|4.610933|4.996215|12.896095|8.919932|17.540693|16.492540|6.575886|2.766939|4.495596|2.457495|2.100974|1.900171|1.936156|2.201092|2.531858|11.950319|3.039720|2.760447|2.142362|1.631470|1.471398|1.397063|1.366619|1.494443|0.051902|0.058202|0.076521|0.071568|0.055869|0.140247|0.101925|0.123286|0.115664|0.174760|0.211377|0.301277|0.500000| |2.429666|2.709766|3.227640|3.373862|2.876535|2.487281|4.041168|0.103868|3.728985|4.512477|6.793957|18.274490|7.898072|6.328051|5.516296|11.269261|6.689635|9.886552|35.376895|7.280855|2.931235|4.719403|2.546589|2.206174|1.966158|1.955822|2.177355|2.520655|11.966000|3.003459|2.813012|2.114174|1.575577|1.414741|1.356435|1.349278|1.488266|0.060283|0.070927|0.096850|0.078016|0.062340|0.238100|0.134497|0.137649|0.119576|0.165159|0.139587|0.191435|0.245090|0.500000| |3.886129|4.104261|4.505073|4.659123|4.354355|3.991682|4.320435|0.112567|4.993398|3.831082|3.144116|4.698633|4.517409|2.768598|2.511275|4.171516|2.011697|1.939246|3.515323|6.188112|7.098615|12.259966|8.944838|17.745118|8.932388|5.652733|4.952673|5.662452|27.822867|5.713753|6.828473|4.725651|3.110238|2.591707|2.642855|2.891026|3.658133|0.095084|0.102658|0.118438|0.112157|0.098767|0.069102|0.078442|0.062521|0.075032|0.053154|0.052803|0.048528|0.056074|0.059972|0.500000| |3.400527|3.208976|3.261485|3.523126|3.783686|3.708447|3.228938|0.091219|3.332711|2.702947|2.394167|3.698120|3.527175|2.308764|2.199961|3.640093|1.779786|1.680048|2.998179|4.404827|4.094596|6.876944|5.627554|8.915365|17.748080|8.905003|5.634646|4.954553|47.211384|8.142682|13.087991|7.241519|4.098983|3.273383|3.324799|3.956958|5.711836|0.087779|0.080499|0.082573|0.104809|0.101125|0.057623|0.066412|0.056167|0.067112|0.047614|0.047554|0.042674|0.047997|0.049979|0.214497|0.500000| |2.757785|2.626608|2.899140|3.554036|3.896353|3.300528|3.807699|0.126641|3.659914|2.952841|2.733302|4.196164|4.161358|2.779530|2.931664|4.979483|2.346036|2.103148|3.566284|4.658527|4.065233|6.196649|5.625527|4.952669|5.631966|8.915968|17.746795|8.899772|47.285748|13.153057|8.158899|7.223512|5.684648|3.943397|3.313324|3.264679|4.086908|0.068782|0.064219|0.074064|0.129155|0.091514|0.067061|0.076707|0.073077|0.096012|0.061344|0.064639|0.053023|0.060593|0.058621|0.107558|0.124065|0.500000| |3.020511|3.074817|3.697132|4.780042|4.580294|3.526753|6.188408|0.220771|6.377112|4.667701|4.076199|5.887856|6.197781|3.744063|3.850109|6.715443|2.980611|2.698827|4.560414|6.946965|6.933886|9.261502|8.927770|5.654243|4.952741|5.658514|8.935242|17.729418|27.847513|6.852981|5.723318|4.708251|3.637413|2.874791|2.625224|2.577412|3.093186|0.072596|0.074325|0.097260|0.145609|0.090507|0.087951|0.097995|0.089565|0.125896|0.075069|0.080231|0.065840|0.080009|0.077167|0.124493|0.107567|0.214902|0.500000| |2.095238|2.043418|2.192884|2.466616|2.557271|2.329453|2.596857|0.078527|2.730219|2.347037|2.103850|3.336423|3.006135|2.000696|2.047976|3.600370|1.780877|1.664999|2.840397|3.943212|3.202655|5.509397|4.018101|4.043618|4.747804|6.054738|6.019319|4.718470|44.000024|9.773325|7.895975|12.295928|17.475774|8.832315|6.770768|5.715445|6.948953|0.054104|0.052078|0.058176|0.076978|0.064448|0.050414|0.054842|0.052156|0.063021|0.046617|0.049501|0.042847|0.048499|0.046593|0.095076|0.117540|0.172106|0.116906|0.500000| |2.047523|1.952076|2.065614|2.343177|2.511383|2.316187|2.426361|0.074645|2.436999|2.109504|1.954692|3.123893|2.844630|1.946310|2.031836|3.537201|1.758729|1.618238|2.749586|3.503435|2.727955|4.567036|3.381287|3.388628|4.061767|5.469915|5.485549|4.075429|49.815236|14.088453|8.446378|12.492910|17.668297|8.853518|5.511558|4.914384|5.654392|0.053293|0.049553|0.054072|0.077315|0.065757|0.048913|0.053863|0.052473|0.063200|0.046504|0.049218|0.041866|0.046574|0.044650|0.080433|0.103328|0.180168|0.103940|0.300934|0.500000| |1.667648|1.623805|1.713425|1.883581|1.951412|1.822715|1.968527|0.058798|2.041468|1.831859|1.683440|2.739639|2.377127|1.622940|1.678631|2.985439|1.518019|1.427239|2.423465|3.135510|2.287644|4.009740|2.654132|2.672628|3.010437|3.512579|3.486507|2.977986|28.438492|7.049312|5.829093|7.680471|8.899029|17.532345|8.799202|5.509337|4.895703|0.043873|0.042069|0.045870|0.058164|0.051049|0.041621|0.044467|0.043583|0.050821|0.040015|0.042729|0.037331|0.041388|0.039280|0.066691|0.079765|0.103967|0.078569|0.216220|0.212321|0.500000| |1.706238|1.634700|1.696225|1.856745|1.962143|1.869785|1.891293|0.056335|1.926038|1.717227|1.593764|2.592539|2.276630|1.569907|1.616449|2.828197|1.439799|1.348093|2.308162|2.916141|2.146069|3.727246|2.523803|2.627655|3.079371|3.609282|3.368652|2.793124|33.018697|8.186217|6.955301|9.546647|8.910562|17.537240|8.840150|6.808376|5.721271|0.045333|0.042353|0.044935|0.058437|0.053198|0.040207|0.043581|0.042328|0.049055|0.038348|0.040298|0.035284|0.038712|0.037341|0.065822|0.084385|0.099744|0.072127|0.174042|0.218052|0.302027|0.500000| |1.734163|1.710132|1.798757|1.936973|1.970996|1.856971|2.003030|0.058291|2.144308|1.920358|1.719684|2.786190|2.396553|1.606384|1.617269|2.861755|1.452315|1.388135|2.390637|3.332804|2.493285|4.542554|2.878197|3.039497|3.411345|3.659687|3.399558|3.021301|27.834395|6.075226|6.075820|7.828480|6.778383|8.854195|17.501302|8.854418|6.778874|0.045713|0.044705|0.048572|0.057257|0.051308|0.041384|0.044120|0.041754|0.048426|0.038260|0.040332|0.036156|0.040414|0.039119|0.077720|0.093198|0.092796|0.077053|0.198613|0.139171|0.215258|0.173668|0.500000| |1.568078|1.530824|1.588191|1.699991|1.750455|1.675450|1.736288|0.050543|1.820400|1.648307|1.505172|2.462736|2.106854|1.436129|1.453745|2.564525|1.315297|1.254414|2.161484|2.856764|2.059700|3.709086|2.346510|2.480643|2.802329|3.020515|2.796104|2.470193|24.603704|5.601911|5.601668|6.723942|5.496831|8.809397|17.536187|8.809134|5.496824|0.041812|0.040216|0.042732|0.050884|0.046883|0.037181|0.039668|0.037963|0.043406|0.034917|0.036653|0.032905|0.036255|0.035125|0.064228|0.078490|0.078265|0.063843|0.138901|0.123511|0.209694|0.214460|0.303025|0.500000| |1.785446|1.738907|1.780955|1.879580|1.938099|1.885741|1.872589|0.053651|1.977619|1.765790|1.593268|2.584214|2.237507|1.511025|1.498235|2.603328|1.325968|1.269937|2.218918|3.051432|2.290636|4.172311|2.652072|2.990548|3.494482|3.510919|3.003201|2.660715|28.437235|5.829215|7.049547|7.680470|4.895740|5.509391|8.799418|17.532455|8.899331|0.047865|0.045846|0.047710|0.055353|0.052629|0.039034|0.042169|0.039029|0.044672|0.035340|0.036469|0.033106|0.036590|0.036315|0.079058|0.104356|0.079557|0.066298|0.128183|0.108002|0.123219|0.139208|0.215268|0.209694|0.500000| |1.781245|1.704356|1.735739|1.854400|1.953788|1.911037|1.837132|0.053378|1.892264|1.682815|1.544832|2.508121|2.198012|1.504615|1.509937|2.609692|1.329718|1.259951|2.192852|2.873637|2.147616|3.805607|2.522746|2.801255|3.372962|3.608260|3.074794|2.619293|33.018633|6.956693|8.184995|9.547085|5.721695|6.808493|8.840121|17.537093|8.910243|0.047928|0.044614|0.045977|0.056629|0.054285|0.038710|0.042204|0.039580|0.045368|0.035608|0.036717|0.032908|0.036086|0.035688|0.072396|0.099945|0.084241|0.065563|0.132029|0.128841|0.139207|0.199695|0.173670|0.214451|0.302020|0.500000| |2.268946|2.153816|2.182703|2.335869|2.484273|2.444829|2.258734|0.065154|2.334127|2.013694|1.821724|2.906297|2.621235|1.767124|1.741759|2.961374|1.485201|1.405182|2.469736|3.391365|2.733053|4.802837|3.377461|4.086539|5.492022|5.464354|4.054618|3.376970|49.809165|8.446351|14.090947|12.492656|5.654604|4.914251|5.511517|8.853167|17.668623|0.060641|0.055805|0.057045|0.071250|0.069111|0.044982|0.050043|0.045240|0.052685|0.039767|0.040496|0.036310|0.040214|0.040561|0.104260|0.180760|0.103155|0.080127|0.142681|0.127707|0.108001|0.128830|0.139177|0.123507|0.212317|0.218029|0.500000| 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