Version2.1 2020-12-26T07:23:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 18-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1c([nH]c(=O)n1CCNc2c(cc(c[nH+]2)C(F)(F)F)Cl)[C@@H](C)S(=O)(=O)c3ccccc3 C06182948 RHF 6-31G(d) (6D,7F) CCc1c([nH]c(=O)n1CCNc2c(cc(c[nH+]2)C(F)(F)F)Cl)[C@@H](C)S(=O)(=O)c3ccccc3 C01[X(C21H23Cl1F3N4O3S1)] 162 C1 549 CCc1n(CCNc2[nH+]cc(cc2Cl)C(F)(F)F)c(=O)[nH]c1[C@H](S(=O)(=O)c1ccccc1)C CCc1n(CCNc2[nH+]cc(cc2Cl)C(F)(F)F)c(=O)[nH]c1[C@H](S(=O)(=O)c1ccccc1)C CCC1=C(NC(=O)N1CCNc2[nH+]cc(cc2Cl)C(F)(F)F)[C@@H](C)[S](=O)(=O)c3ccccc3 InChIKey=AHXBYYFHEZPXRW-CYBMUJFWSA-O InChI=1S/C21H22ClF3N4O3S/c1-3-17-18(13(2)33(31,32)15-7-5-4-6-8-15)28-20(30)29(17)10-9-26-19-16(22)11-14(12-27-19)21(23,24)25/h4-8,11-13H,3,9-10H2,1-2H3,(H,26,27)(H,28,30)/p+1/t13-/m1/s1 InChI=1/C21H22ClF3N4O3S/c1-3-17-18(13(2)33(31,32)15-7-5-4-6-8-15)28-20(30)29(17)10-9-26-19-16(22)11-14(12-27-19)21(23,24)25/h4-8,11-13H,3,9-10H2,1-2H3,(H,26,27)(H,28,30)/p+1/t13-/m1/s1/fC21H23ClF3N4O3S/h26-28H/q+1 CCc1c([nH]c(=O)n1CCNc2c(cc(c[nH+]2)C(F)(F)F)Cl)[C@@H](C)S(=O)(=O)c3ccccc3 C01[X(C21H23Cl1F3N4O3S1)] 162 C01 549 CCc1n(CCNc2[nH+]cc(cc2Cl)C(F)(F)F)c(=O)[nH]c1[C@H](S(=O)(=O)c1ccccc1)C CCC1=C([NH][C]([O])N1CC[NH][C]1[NH]C=[C]([CH][C]1Cl)C(F)(F)F)[C@H]([S@@]([O])(=O)[C]1[CH][CH][CH][CH][CH]1)C CCC1=C(N[C]([O])N1CCN[C]2NC=C([CH][C]2Cl)C(F)(F)F)[C@@H](C)[S]([O])(=O)[C]3[CH][CH][CH][CH][CH]3 InChIKey=MKCOPACWMLWQJC-CYBMUJFWSA-N InChI=1S/C21H23ClF3N4O3S/c1-3-17-18(13(2)33(31,32)15-7-5-4-6-8-15)28-20(30)29(17)10-9-26-19-16(22)11-14(12-27-19)21(23,24)25/h4-8,11-13,26-27H,3,9-10H2,1-2H3,(H,28,30)/t13-/m1/s1 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1.3507 3.4356 1.7259 2.1395 1.9026 1.8251 3.4480 2.6487 2.9825 2.0913 1.9545 4.0080 2.7876 1.1905 2.3393 4.1706 2.0514 1.6452 1.9437 12.8548 2.3534 2.6612 2.4411 1.3683 3.1601 1.8692 1.5977 1.4997 1.3385 1.3119 1.4588 3.3815 2.1370 2.7162 1.8037 1.3201 1.3901 1.6946 3.8060 1.9475 2.0926 1.0813 1.0563 1.0514 1.2593 1.0633 1.1265 1.9885 1.1094 1.6096 5.1274 3.1621 4.9494 2.1086 5.1710 5.4635 6.6915 1.0495 1.0577 1.0358 1.0715 1.0972 1.0878 1.0730 1.0894 1.0969 1.1044 1.1026 1.1037 1.1062 1.1016 1.0887 1.0917 1.0951 1.0950 1.0965 1.0955 1.0979 1.0824 1.0788 0.0011 0.0019 0.0041 0.0028 0.0034 0.0088 0.0132 0.0096 0.0269 0.0183 0.0450 0.0267 0.0279 0.0553 0.1633 0.1002 0.1219 0.0445 0.1064 0.0700 0.0820 0.0596 0.0591 0.1782 0.1988 0.1980 0.2418 0.2178 0.2258 0.3966 0.5678 0.3517 0.3819 0.4669 0.4848 0.7160 0.3521 0.8756 0.9212 1.1308 0.6317 0.6768 0.9160 0.2078 1.2705 0.9983 1.3089 1.4042 0.4540 0.7689 0.8500 0.9437 1.7120 1.6723 1.5676 1.2316 0.9607 1.1823 1.7546 2.0717 1.2528 1.1588 3.0556 1.7881 0.5876 0.8153 3.1921 1.1345 2.7558 0.6803 1.4941 1.5422 0.8505 1.1270 1.0184 0.9796 3.6907 2.9695 1.7757 1.0242 2.1170 0.9682 1.0467 2.6992 1.3741 1.7536 1.5712 1.5133 2.8919 2.2304 2.5264 1.8624 1.7481 3.6765 2.5664 1.1921 2.4028 4.4299 2.1894 1.7646 2.1599 14.4977 2.6844 3.0702 2.8562 1.6107 3.8385 2.2819 1.9797 1.8723 1.7014 1.6886 1.9067 4.5573 2.8958 3.8126 2.6045 1.9128 2.0195 2.4911 5.7256 2.9601 3.2016 1.7015 1.6694 1.6666 2.0070 1.6958 1.8114 3.2098 1.8034 2.6987 9.5910 5.9172 9.3381 4.2780 10.6546 11.4104 14.2882 6.3894 6.4559 6.3863 6.6969 6.8893 6.9062 6.8149 6.9579 7.0282 7.1054 7.1046 7.1760 7.2134 7.2736 7.3151 7.3882 7.4531 7.4945 7.5077 7.5353 7.7140 9.4878 9.5174 1.0335 0.9850 0.3112 0.4825 0.4652 1.3958 2.6794 0.4519 0.8693 0.6320 5.0322 1.2209 0.1636 1.6317 4.9549 0.4876 0.5695 1.6679 0.9049 0.8905 2.6753 0.7818 2.3296 1.3258 4.8784 2.0297 1.7422 0.9501 3.7685 4.0990 10.4869 29.2999 6.1372 4.2176 2.2006 1.9956 0.0638 0.5369 3.0757 13.2547 3.7673 4.3061 8.2511 106.1672 0.0259 33.9829 13.7186 130.9031 59.7265 44.1289 109.4138 68.1403 0.4877 57.6732 9.7503 9.7349 11.6203 31.9012 47.5870 59.2674 14.2447 92.4730 30.9414 23.8972 16.4336 24.5359 27.9701 19.5056 40.7428 0.2658 16.4770 1.3363 95.1179 6.4768 2.5343 3.5239 5.7570 3.3280 32.9788 1.1410 4.1029 23.7265 0.5992 25.2713 30.7516 7.1075 14.5610 3.8030 30.8281 20.7561 8.1467 8.7319 5.8390 154.2499 73.7194 2.9838 4.5966 195.6332 1.8591 8.1850 147.0386 304.5081 65.0919 120.4345 14.3514 0.7136 131.3773 294.3396 173.3267 110.1455 2.7645 26.7986 31.1980 140.5952 11.0573 59.5554 13.7304 4.7845 4.2325 10.4859 170.7559 29.8313 27.8823 10.6236 6.8107 2.1223 40.6669 11.0919 5.6747 4.7313 11.0072 83.0297 0.5649 35.4588 13.4947 167.1151 253.1965 291.3013 1388.1462 27.1824 31.9861 13.2933 15.1990 4.0180 43.1749 24.7075 41.5125 1983.9878 52.0020 10.4920 9.5391 0.4837 11.7265 0.3358 7.5028 11.1205 3.8774 4.4379 2.5881 13.7473 198.0153 116.7579 0.9122 1.8459 0.4967 0.5205 0.9012 2.1240 2.2265 3.8720 0.9812 0.7679 2.7085 0.3996 1.4793 0.2581 0.6454 4.5407 1.6547 0.0940 0.0916 0.4746 2.6905 0.8600 1.2409 1.5869 1.0709 0.4147 1.4107 0.9066 0.6664 1.6387 5.5416 0.8032 0.5818 2.0541 1.0312 2.1063 0.1393 1.5359 1.4413 4.5098 0.7249 0.9328 1.3341 0.5418 1.3676 2.9068 1.3128 3.0925 1.5013 0.9785 2.3204 0.7684 6.1165 3.9341 0.2922 3.2891 5.6393 4.2867 22.3040 11.7612 3.0990 15.9764 0.1853 4.0962 1.7928 1.3205 0.4636 8.3739 3.7488 1.3553 9.7810 6.3660 1.0781 4.5086 5.9943 2.6988 31.0710 16.7239 8.1963 1.0614 14.6583 1.7728 0.1543 2.1151 2.1963 3.6782 1.3395 0.3911 0.8948 13.5757 7.6218 8.3951 1.5557 14.0514 4.8820 2.6524 10.0166 65.6234 8.6107 0.4002 10.0369 3.2717 14.1226 9.4371 12.4501 5.4271 10.1543 9.4489 4.9968 1.7372 0.5568 9.7209 5.0303 12.3332 28.6937 34.0343 9.8791 10.2095 5.8750 8.1312 1.8922 17.7990 1.0673 29.3965 15.4970 17.0814 13.4517 16.1219 2.7243 0.6258 8.5663 11.0318 4.6463 21.6398 55.1815 23.4427 13.9580 119.8439 47.1111 40.0051 178.4965 106.5422 69.4623 95.1612 30.2716 67.0010 72.8541 212.7488 31.1240 67.0029 59.5780 39.8859 43.5657 47.9014 114.7357 130.1932 84.7712 112.8816 103.0520 48.4181 39.3430 46.2171 0.7474 0.7500 0.7457 0.7384 0.7408 0.7482 0.6904 0.7500 0.7159 0.7348 0.6172 0.4607 0.7496 0.7500 0.6306 0.7254 0.4070 0.4853 0.5433 0.1844 0.4140 0.1951 0.6376 0.5315 0.7399 0.7231 0.1868 0.4411 0.5894 0.1994 0.3408 0.6914 0.7056 0.1847 0.5804 0.2998 0.6779 0.4671 0.2168 0.2808 0.6939 0.1178 0.6495 0.6761 0.7490 0.5972 0.5338 0.7470 0.1569 0.2978 0.3001 0.6762 0.7448 0.5243 0.6541 0.7084 0.1009 0.0866 0.0954 0.1263 0.5126 0.5000 0.7385 0.6811 0.6604 0.3864 0.3545 0.5843 0.3536 0.7446 0.1803 0.3836 0.5932 0.7497 0.2316 0.5365 0.1135 0.1449 0.2033 0.1495 0.1279 0.6032 0.2736 0.6457 0.4836 0.7143 0.6802 0.6668 0.6030 0.3408 0.0934 0.7396 0.2703 0.1200 0.1264 0.6560 0.4715 0.1699 0.4423 0.7219 0.6131 0.7459 0.4097 0.2946 0.4377 0.7469 0.6340 0.4261 0.4898 0.4665 0.7087 0.1559 0.7467 0.1033 0.6019 0.2782 0.5086 0.4677 0.7356 0.7314 0.3190 0.3756 0.7454 0.7251 0.7451 0.7461 0.7470 0.7247 0.3891 0.3603 0.6331 0.6525 0.7246 0.6859 0.5638 0.6448 0.2234 0.1739 0.2477 0.4516 0.0683 0.0315 0.0827 0.7447 0.5808 0.1086 0.4709 0.3433 0.7030 0.7491 0.5303 0.6749 0.3557 0.7490 0.7500 0.2262 0.3120 0.1062 0.1274 0.2269 0.1961 0.1447 0.8555 0.8571 0.8543 0.8495 0.8511 0.8560 0.8168 0.8571 0.8344 0.8471 0.7633 0.6308 0.8569 0.8571 0.7734 0.8409 0.5785 0.6535 0.7040 0.3114 0.5855 0.3265 0.7787 0.6941 0.8505 0.8393 0.3148 0.6122 0.7416 0.3325 0.5083 0.8175 0.8274 0.3118 0.7345 0.4613 0.8080 0.6368 0.3563 0.4384 0.8193 0.2108 0.7875 0.8068 0.8565 0.7478 0.6960 0.8551 0.2713 0.4589 0.4617 0.8068 0.8537 0.6879 0.7908 0.8293 0.1832 0.1593 0.1742 0.2243 0.6778 0.6667 0.8496 0.8103 0.7955 0.5574 0.5235 0.7376 0.5224 0.8536 0.3055 0.5545 0.7447 0.8569 0.3761 0.6983 0.2039 0.2531 0.3379 0.2601 0.2267 0.7525 0.4297 0.7847 0.6519 0.8334 0.8097 0.8001 0.7523 0.5084 0.1708 0.8503 0.4256 0.2142 0.2245 0.7923 0.6408 0.2904 0.6133 0.8385 0.7602 0.8545 0.5813 0.4552 0.6089 0.8551 0.7760 0.5976 0.6576 0.6362 0.8295 0.2698 0.8550 0.1872 0.7515 0.4353 0.6743 0.6373 0.8476 0.8449 0.4837 0.5461 0.8541 0.8407 0.8539 0.8546 0.8552 0.8404 0.5602 0.5298 0.7753 0.7897 0.8403 0.8137 0.7210 0.7841 0.3652 0.2962 0.3971 0.6222 0.1279 0.0611 0.1528 0.8537 0.7349 0.1960 0.6403 0.5111 0.8256 0.8566 0.6930 0.8059 0.5247 0.8565 0.8571 0.3689 0.4756 0.1921 0.2260 0.3699 0.3280 0.2529 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 51 52 53 54 55 56 6 6 6 6 7 1 6 8 7 6 6 7 6 6 6 6 6 7 1 6 9 9 9 17 6 1 6 16 8 8 6 6 6 6 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 12.00000 14.00307 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 18.99840 18.99840 18.99840 34.96885 12.00000 1.00783 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7256.7922 45857.1698 50678.8835 0.99999 0.00471 -0.00028 -0.00471 0.99981 -0.01913 0.00019 0.01913 0.99982 1 0.01194 0.00189 0.00171 0.24870 0.03936 0.03561 21.40 29.88 34.82 36.01 50.71 70.13 79.69 84.75 114.79 127.77 133.39 149.54 156.44 197.84 224.38 253.37 270.85 276.69 294.99 321.49 333.67 340.88 353.70 371.71 390.57 409.36 420.17 436.20 456.44 468.29 496.40 518.19 562.19 576.00 612.79 632.12 649.89 664.56 674.48 687.55 704.55 726.81 765.53 804.98 827.24 847.32 865.75 897.73 917.87 931.57 949.23 957.66 966.79 1010.01 1031.09 1054.05 1087.47 1101.01 1110.18 1167.79 1184.08 1185.46 1203.92 1223.02 1231.57 1241.96 1254.55 1293.60 1383.82 1386.40 1417.61 1484.60 1510.99 1538.82 1546.21 1563.49 1567.04 1583.72 1608.04 1609.70 1615.12 1624.58 1650.10 1661.43 1672.51 1696.98 1703.35 1706.85 1716.64 1720.06 1725.17 1768.88 1772.69 1795.24 1798.53 1875.69 1899.71 1931.82 1936.42 1941.25 1975.89 1990.60 2001.92 2013.31 2027.57 2033.68 2065.85 2071.07 2086.49 2094.39 2113.34 2126.62 2142.94 2176.04 2182.01 2220.75 2252.43 2256.32 2259.30 2272.62 2299.05 2310.91 2318.49 2351.31 2356.44 2359.96 2366.31 2367.18 2376.82 2381.49 2389.84 2427.06 2563.61 2564.14 2574.66 2669.91 2690.60 2708.85 2739.02 4624.91 4630.85 4654.27 4686.04 4696.96 4722.94 4723.92 4737.13 4744.72 4754.42 4758.04 4779.54 4786.59 4816.41 4858.84 4876.35 4889.98 4903.77 4904.73 4915.89 4968.63 5549.66 5567.56 0.468168 0.497365 0.498310 0.404054 -2405.647435 -2405.618237 -2405.617293 -2405.711548 3.161328D-04 MUNgauss RevisionA2.0 retrievium 26-Dec-2020 DUDE CCc1c([nH]c(=O)n1CCNc2c(cc(c[nH+]2)C(F)(F)F)Cl)[C@@H](C)S(=O)(=O)c3ccccc3 C06182948 RHF 6-31G(d) (6D,10F) C1 503.113150 |X|Y|Z| 29.061608 57.456628 151.666846 63.267908 22 6 7 16 17 4 1 |36.858105| |12.406391|36.858105| |7.510405|12.698901|36.858105| |5.448685|7.392688|14.289856|36.858105| |4.212561|5.163077|8.622025|13.587415|53.358707| |3.565190|4.141155|6.040322|8.923970|25.975189|0.500000| |4.289616|5.159643|8.415224|8.493035|19.384438|0.256975|36.858105| |3.489133|3.958480|5.522963|5.537189|11.231440|0.199415|15.516883|73.516695| |5.711625|7.449563|13.498182|8.670687|12.019956|0.170422|14.026104|14.729802|53.358707| |5.241605|6.036051|7.362347|5.273384|7.345996|0.119823|7.842170|12.065267|17.941721|36.858105| |3.829570|4.510111|5.231407|4.202247|6.108139|0.104292|6.193039|10.974684|10.496580|12.345119|36.858105| |3.184440|3.478931|3.843279|3.258241|4.783942|0.085946|4.607069|8.947493|7.016894|7.615294|13.038578|53.358707| |2.793496|2.974552|3.355486|2.982541|4.544732|0.084264|4.351561|9.218902|6.030766|5.829774|7.684721|19.548797|36.858105| |2.377918|2.471347|2.697875|2.443656|3.655213|0.069420|3.303894|6.798050|4.554342|4.160766|5.025446|10.731435|13.365773|36.858105| |2.126743|2.189143|2.406881|2.240392|3.394673|0.065974|3.000050|6.289496|3.980857|3.434495|3.902110|7.142403|7.921582|14.058207|36.858105| |2.134040|2.203505|2.485577|2.366981|3.692257|0.072997|3.270317|7.174357|4.138349|3.423774|3.756945|6.306013|6.836792|7.906857|13.453156|36.858105| |2.408203|2.523805|2.946169|2.818010|4.554732|0.089625|4.208954|9.988780|5.098982|4.161631|4.533131|7.254452|8.019562|6.945986|8.040957|14.142598|36.858105| |2.792308|2.986412|3.534121|3.255832|5.244618|0.098764|5.198560|12.516690|6.513015|5.714450|6.681190|11.228210|14.251949|8.089706|7.047102|8.118060|14.062021|53.358707| |3.102019|3.395506|4.230471|3.916105|6.614769|0.121819|7.177614|20.031578|8.324161|6.887952|7.584525|10.195390|9.249138|5.765106|5.109697|5.877314|9.429532|25.248853|0.500000| |1.866480|1.909621|2.134793|2.074422|3.216697|0.065007|2.736103|5.843945|3.433693|2.737722|2.913409|4.617582|4.440700|5.045751|7.541800|12.670279|7.630734|6.930668|0.117171|36.858105| |1.804189|1.812844|1.994699|1.927473|2.935024|0.059197|2.469152|5.122496|3.162610|2.539747|2.633505|4.175845|3.879754|4.525033|6.489179|8.200555|5.625779|5.733979|0.099395|14.456836|97.533100| |1.856208|1.902985|2.156831|2.139210|3.374189|0.069554|2.828614|6.117796|3.445800|2.656598|2.763440|4.177969|3.868243|4.022741|5.240445|8.188855|7.069608|6.403315|0.115502|14.477865|20.059416|97.533100| |1.696889|1.749760|1.937378|1.887675|2.898689|0.058653|2.426633|5.080837|3.071061|2.433588|2.649530|4.179612|3.881452|4.521288|6.478420|8.200199|5.627140|5.736063|0.099133|14.457140|20.179788|20.060593|97.533100| |2.236775|2.305094|2.413187|2.161933|3.120545|0.059091|2.727800|5.304659|3.908980|3.570473|4.278253|8.611942|6.996960|11.031562|7.081881|4.748443|4.262376|6.577653|0.110729|3.656098|7.886331|6.793469|7.878402|448.794386| |4.641242|5.777275|7.388422|12.707502|10.255013|0.188942|5.206094|7.062656|7.046040|3.759629|3.187069|3.540191|2.416992|2.050138|1.908965|2.011612|2.334266|3.546192|0.083862|1.806412|3.809196|4.213094|3.741264|14.847668|36.858105| |5.261517|6.560394|7.004547|9.030423|7.629205|0.138731|4.380816|6.104398|6.406152|3.591068|3.030360|3.388425|2.283931|1.955761|1.810260|1.881519|2.152344|3.277824|0.076201|1.690772|3.595812|3.905347|3.514625|14.414128|17.615594|0.500000| |3.492627|4.332761|5.240664|7.532506|8.305497|0.167019|4.398247|6.342395|5.684844|3.193603|2.899174|3.256053|2.238714|1.918264|1.797977|1.897193|2.186539|3.282804|0.076856|1.718858|3.595232|4.022628|3.609230|13.947607|12.429574|0.245015|36.858105| |3.988698|4.241344|5.088873|7.140513|8.118986|0.174539|4.384569|6.391278|5.607002|3.195243|2.695135|3.136750|2.210471|1.910693|1.816815|1.941279|2.238470|3.292430|0.076838|1.777361|3.787528|4.205728|3.652306|13.748785|10.495389|0.225836|6.829226|388.023441| |3.297028|3.543287|4.434609|6.198019|8.822137|0.226005|4.615370|7.013459|5.383962|3.087356|2.673482|3.147533|2.269022|1.960860|1.891040|2.060734|2.402946|3.468386|0.081572|1.902783|4.015602|4.583902|3.899522|13.867063|7.313406|0.152129|6.158973|93.812320|73.516695| |4.791940|4.586446|5.206570|6.331845|7.099084|0.142707|4.246283|6.231717|5.742117|3.369782|2.733056|3.217211|2.262117|1.961438|1.858892|1.973041|2.261994|3.337648|0.077241|1.800550|3.886488|4.228851|3.667731|14.174411|7.294691|0.192252|4.812818|94.278899|13.564520|73.516695| |3.213435|3.352760|3.655841|4.572140|5.380159|0.115402|3.154374|4.832876|4.143881|2.506059|2.194392|2.609189|1.841283|1.626602|1.556068|1.648081|1.858856|2.696108|0.061396|1.531681|3.286055|3.613926|3.188739|11.918287|6.630275|0.175985|5.779625|76.766868|12.958183|12.984572|36.858105| |2.640340|2.792091|3.071526|3.797436|4.773471|0.105937|2.829507|4.459495|3.627198|2.227804|2.004326|2.408126|1.715916|1.527695|1.473930|1.568665|1.761408|2.522910|0.057114|1.472714|3.148465|3.497311|3.087263|11.183284|5.127839|0.130862|5.284285|49.609429|11.519702|8.864681|13.726135|36.858105| |2.312432|2.414805|2.568977|3.033460|3.823605|0.083140|2.355928|3.776172|3.071520|1.936513|1.764918|2.145639|1.529138|1.377152|1.331749|1.408179|1.561633|2.225161|0.049742|1.331085|2.860198|3.148234|2.809486|10.188020|3.893986|0.105089|4.089317|33.742054|7.849336|6.843934|7.977052|13.762185|36.858105| |2.332351|2.389185|2.457883|2.815459|3.464824|0.073418|2.180061|3.486660|2.911950|1.860246|1.687508|2.058641|1.458630|1.319465|1.271277|1.333127|1.468492|2.100117|0.046661|1.258428|2.721331|2.954575|2.657701|9.853727|3.571464|0.101793|3.587264|30.010995|6.559321|6.574618|6.929059|7.940114|13.741460|36.858105| |2.697561|2.710525|2.726661|3.089282|3.676608|0.076361|2.318750|3.657446|3.159276|2.013177|1.796235|2.180232|1.533631|1.381960|1.323281|1.381386|1.524130|2.197518|0.048923|1.295204|2.810030|3.025404|2.722729|10.347181|3.973888|0.118877|3.724353|33.788107|6.793082|7.816720|7.975009|6.840922|7.906018|13.729718|36.858105| |3.267575|3.282659|3.352560|3.907253|4.493272|0.092791|2.764623|4.265581|3.773780|2.346886|2.050237|2.457069|1.721995|1.534071|1.462237|1.531527|1.707629|2.482210|0.055867|1.424199|3.081409|3.330149|2.972407|11.394192|5.311231|0.160991|4.552628|49.738980|8.768080|11.384102|13.713656|7.863752|6.843815|7.942688|13.775869|36.858105| |17.568725|8.804947|5.498294|4.301583|4.681864|0.083093|3.485125|5.224588|6.038905|4.291963|3.362155|3.914341|2.520615|2.192873|1.963267|1.947414|2.158814|3.369928|0.074850|1.717139|3.758101|3.820482|3.543536|16.964383|3.915489|0.126058|3.100260|24.267408|5.057654|7.114643|2.917473|2.427709|2.175356|2.231919|2.592165|3.058287|0.500000| |17.590280|8.791004|6.839139|5.651028|5.868012|0.103850|4.170949|6.036880|6.993998|4.474510|3.351943|3.869697|2.572286|2.210490|2.014545|2.051812|2.319041|3.582642|0.081508|1.818590|3.965577|4.117666|3.709826|16.502309|5.117811|0.163372|3.671245|33.593511|6.610666|11.077186|3.727704|2.957221|2.560398|2.597203|3.070969|3.845057|0.300460|0.500000| |17.556472|8.711351|6.726579|4.880843|5.571297|0.096510|4.442818|6.598952|8.199261|6.145428|4.216573|4.869715|3.127590|2.646294|2.345203|2.338682|2.640756|4.212910|0.094859|2.022800|4.424717|4.491020|4.097090|19.896132|3.987081|0.118225|3.101249|25.460643|5.509740|7.644721|2.867768|2.408881|2.115701|2.115313|2.405162|2.867818|0.301948|0.302446|0.500000| |8.857180|17.591051|9.042031|6.943325|6.394789|0.108509|4.374015|6.110399|7.644619|4.577581|3.733419|4.036173|2.583654|2.189290|1.964668|1.983619|2.250303|3.548060|0.081527|1.744406|3.727319|3.932358|3.629156|16.533620|6.424233|0.230176|4.853639|31.426646|6.334497|8.171342|3.652688|3.007519|2.614945|2.615038|3.002258|3.647501|0.214144|0.211298|0.172631|0.500000| |8.781756|17.535659|8.951593|5.713390|6.069641|0.100920|4.725924|6.728350|9.400191|6.436493|5.085877|5.218301|3.149705|2.609253|2.267092|2.240015|2.543339|4.163014|0.095140|1.922775|4.099400|4.256596|3.991361|19.928007|4.564734|0.138799|3.758254|24.601073|5.372935|6.480603|2.845168|2.446253|2.154046|2.131440|2.378200|2.791765|0.212315|0.172636|0.207904|0.306357|0.500000| |6.351594|7.020609|7.043705|4.824020|6.158354|0.102740|5.765504|8.804094|12.544201|17.670384|8.789709|8.634952|4.807486|3.706358|3.066320|2.980582|3.457141|6.087776|0.139257|2.440521|5.197187|5.292848|4.938768|27.291480|3.609238|0.099912|3.034084|21.743018|5.081699|5.866281|2.450716|2.156859|1.894241|1.845939|2.019927|2.348677|0.145758|0.138773|0.218906|0.140725|0.226116|0.500000| |4.735083|4.900798|5.855329|4.614277|6.732800|0.114934|7.149704|12.406237|12.547765|17.589626|8.786492|10.122988|6.467660|4.590420|3.832189|3.873824|4.784710|8.988645|0.216746|3.047893|6.423686|6.634898|5.931020|30.211099|3.412032|0.089898|2.893884|21.906708|5.387381|5.906411|2.414759|2.153878|1.874857|1.799851|1.944156|2.261013|0.108659|0.117512|0.161424|0.107345|0.137585|0.304676|0.500000| |3.452903|4.154054|5.124162|4.403404|6.823059|0.116926|7.084063|13.310636|10.261295|8.774056|17.639770|12.456941|7.067124|4.700922|3.834924|3.858267|4.837120|9.660700|0.244303|3.007838|5.962113|6.542842|6.198050|30.876375|3.319254|0.085343|3.107585|19.782743|5.031513|4.870431|2.254715|2.084900|1.824866|1.724154|1.816497|2.071785|0.084077|0.086612|0.102125|0.098916|0.125042|0.176069|0.193309|0.500000| |3.792155|4.596722|4.932034|3.921728|5.393262|0.092856|5.002590|8.438042|8.655608|8.759022|17.637909|12.646821|5.807847|4.298394|3.381198|3.186577|3.665845|6.733571|0.148482|2.552665|5.254000|5.437618|5.342380|32.239392|3.073476|0.083042|2.839505|18.100286|4.411045|4.566015|2.117742|1.935927|1.720407|1.656608|1.765977|2.001313|0.095298|0.090310|0.112867|0.107481|0.154300|0.224717|0.175884|0.304917|0.500000| |3.009864|3.240732|3.413852|2.894760|4.126259|0.074875|3.786747|7.108197|5.851501|6.073271|8.989845|26.041666|9.621741|7.449494|4.885849|4.084839|4.377595|8.139180|0.149988|3.098700|6.449725|6.227119|6.455239|60.786502|2.371960|0.064038|2.194483|14.976688|3.718175|3.855915|1.782938|1.647758|1.481885|1.431737|1.517818|1.697498|0.077415|0.074053|0.093645|0.077639|0.101188|0.158215|0.162421|0.184738|0.234316|0.500000| |1.927534|1.967998|2.129241|1.991703|2.976821|0.058241|2.567190|5.246708|3.433167|2.917704|3.260953|5.747765|5.635508|9.063242|17.734726|8.812102|5.699071|6.864285|0.110192|6.995554|15.173541|10.711107|15.131198|54.104379|1.724925|0.045724|1.632724|11.744458|3.045489|3.007169|1.432944|1.362408|1.239967|1.187699|1.233961|1.354265|0.049981|0.050873|0.058722|0.049516|0.056635|0.074259|0.089090|0.088598|0.081155|0.114758|0.500000| |2.372859|2.490542|2.961832|2.922545|4.869001|0.098631|4.411994|10.877692|5.056703|3.880731|4.042051|5.945339|5.783447|5.000426|5.641781|8.893494|17.787042|12.632677|0.235248|6.855188|11.546761|17.593853|11.541668|27.627314|2.432878|0.061466|2.287130|16.882354|4.640382|4.222537|1.957943|1.867148|1.644902|1.533576|1.583401|1.777981|0.058743|0.064504|0.071458|0.062209|0.068482|0.089564|0.122572|0.123176|0.092123|0.101262|0.123636|0.500000| |3.486818|4.540993|5.340503|6.930911|7.628406|0.144567|4.323822|6.249732|5.806047|3.299680|3.076166|3.399966|2.299283|1.963144|1.821316|1.901873|2.184873|3.323097|0.077541|1.710206|3.565307|3.964583|3.614510|14.394219|8.884379|0.211542|17.584207|36.264594|8.300579|7.136276|4.452563|4.123875|3.418712|3.104663|3.232570|3.804321|0.087125|0.097924|0.085841|0.144051|0.113448|0.087651|0.081011|0.092042|0.085632|0.063963|0.045930|0.062696|0.500000| |3.114342|3.758000|4.710262|6.762338|8.960804|0.199602|4.593778|6.805214|5.529283|3.118067|2.880964|3.266596|2.285324|1.956730|1.851955|1.980204|2.300569|3.414722|0.080458|1.802712|3.740604|4.265036|3.785013|14.041177|8.753428|0.172708|17.604764|45.141777|12.230563|7.894636|5.227124|5.180290|3.956104|3.341812|3.350677|3.995344|0.076575|0.090627|0.079271|0.110985|0.092648|0.080264|0.079691|0.087774|0.077027|0.060624|0.046590|0.067839|0.301102|0.500000| |3.146376|3.732606|4.199184|5.498749|6.274452|0.129641|3.544258|5.304574|4.655756|2.734529|2.501096|2.874864|1.988087|1.731147|1.632888|1.717001|1.951584|2.891453|0.066553|1.572936|3.312692|3.681277|3.318985|12.717875|8.771647|0.213287|17.604871|44.911495|9.817514|7.979039|6.587476|6.346085|4.964924|4.286333|4.345468|5.173968|0.079665|0.093036|0.077354|0.118445|0.090963|0.073401|0.069841|0.073487|0.068603|0.054451|0.041538|0.056618|0.301783|0.301178|0.500000| |2.525603|2.706973|3.068617|3.865273|5.108297|0.117997|2.982285|4.749627|3.709536|2.264419|2.056317|2.471410|1.774798|1.576256|1.528265|1.640495|1.852837|2.638227|0.059999|1.544108|3.279782|3.695652|3.237111|11.438212|5.022490|0.120923|5.471420|47.338578|13.347247|8.220263|8.910367|17.756304|8.888651|5.640392|4.938716|5.619595|0.063939|0.077485|0.064934|0.079608|0.066471|0.060002|0.060984|0.060176|0.054763|0.046694|0.039139|0.055079|0.117110|0.163548|0.173444|0.500000| |2.064343|2.163789|2.310130|2.701542|3.492371|0.076522|2.177394|3.542326|2.815581|1.792363|1.655187|2.026346|1.451824|1.314586|1.277456|1.353133|1.494508|2.114573|0.047049|1.287048|2.762129|3.052270|2.729366|9.728725|3.345107|0.089194|3.627801|27.856512|6.882208|5.751573|5.663099|8.933029|17.735539|8.907297|5.632655|4.938345|0.054140|0.062608|0.053037|0.064510|0.054374|0.048497|0.048319|0.047767|0.044835|0.038930|0.033134|0.043819|0.086248|0.100695|0.120087|0.214292|0.500000| |2.088897|2.130797|2.170125|2.438918|3.036208|0.064100|1.943630|3.142478|2.604723|1.687798|1.545580|1.900340|1.348658|1.228574|1.186345|1.240318|1.356831|1.932732|0.042647|1.176078|2.549500|2.756218|2.494480|9.225586|2.994780|0.085648|3.046541|24.239941|5.456981|5.468552|4.981731|5.651338|8.927488|17.726152|8.924092|5.652966|0.056161|0.063828|0.053004|0.064502|0.053534|0.046657|0.045442|0.043791|0.042310|0.036892|0.030922|0.039254|0.075336|0.079660|0.099425|0.124078|0.215169|0.500000| |2.609463|2.573784|2.521593|2.771872|3.298937|0.067678|2.125867|3.372923|2.937649|1.903358|1.701508|2.078563|1.458572|1.321954|1.264244|1.311720|1.437487|2.072908|0.045836|1.231025|2.683369|2.861229|2.592587|9.977324|3.435211|0.105012|3.197877|27.900100|5.702565|6.835020|5.661365|4.936814|5.633074|8.903264|17.735280|8.935567|0.071112|0.082090|0.064613|0.079228|0.063318|0.053599|0.051121|0.047420|0.046725|0.040455|0.032871|0.041238|0.079619|0.079949|0.101110|0.107309|0.123987|0.215114|0.500000| |3.802201|3.672358|3.618430|4.071640|4.547734|0.091427|2.850646|4.359307|3.997735|2.499111|2.144974|2.565882|1.785997|1.588151|1.505155|1.567652|1.746598|2.557059|0.057503|1.449642|3.149639|3.369722|3.014660|11.841708|5.327252|0.172345|4.244400|47.488564|8.092897|12.938352|8.895777|5.617214|4.939689|5.642970|8.902195|17.746195|0.099271|0.129117|0.090748|0.113790|0.085119|0.070513|0.066883|0.059422|0.058252|0.049357|0.038692|0.050178|0.101669|0.102279|0.126920|0.123918|0.107327|0.124147|0.214637|0.500000| 2403.222440 -13216.200415 4873.539105 -251.593537 -6191.032407 3784.916762 -2406.115645 2.001204 406200000000000B 452DEB36CB36E9D0 44AD587C5D63F602 41F0C205B0000005 34790B76BE106B80 4393563702C49D12