Version2.3 2021-04-02T16:04:13Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 17-Jan-2021 #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(=c3ccccc3=[NH+]2)C(=O)CSc4[nH]nc(n4)c5ccc(cc5Cl)Cl C39944520 RHF 6-31G(d) (6D,7F) c1ccc(cc1)[C@@H]2C(=c3ccccc3=[NH+]2)C(=O)CSc4[nH]nc(n4)c5ccc(cc5Cl)Cl C01[X(C24H17Cl2N4O1S1)] 141 C1 526 Clc1ccc(c(c1)Cl)c1n[nH]c(n1)SCC(=O)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 Clc1ccc(c(c1)Cl)c1n[nH]c(n1)SCC(=O)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 Clc1ccc(c(Cl)c1)c2n[nH]c(SCC(=O)C3=C4C=CC=CC4=[NH+][C@@H]3c5ccccc5)n2 InChIKey=XALUKOBQRXYNCV-JOCHJYFZSA-O InChI=1S/C24H16Cl2N4OS/c25-15-10-11-16(18(26)12-15)23-28-24(30-29-23)32-13-20(31)21-17-8-4-5-9-19(17)27-22(21)14-6-2-1-3-7-14/h1-12,22H,13H2,(H,28,29,30)/p+1/t22-/m1/s1 InChI=1/C24H16Cl2N4OS/c25-15-10-11-16(18(26)12-15)23-28-24(30-29-23)32-13-20(31)21-17-8-4-5-9-19(17)27-22(21)14-6-2-1-3-7-14/h1-12,22H,13H2,(H,28,29,30)/p+1/t22-/m1/s1/fC24H17Cl2N4OS/h27,30H/q+1 c1ccc(cc1)[C@@H]2C(=c3ccccc3=[NH+]2)C(=O)CSc4[nH]nc(n4)c5ccc(cc5Cl)Cl C01[X(C24H17Cl2N4O1S1)] 141 C01 526 Clc1ccc(c(c1)Cl)c1n[nH]c(n1)SCC(=O)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 O=C(C1=[C]2[CH]=[CH][CH]=[CH][C]2[NH][C@@H]1[C]1[CH][CH][CH][CH][CH]1)CS[C]1[NH][N][C]([N]1)[C]1[CH][CH][C]([CH][C]1Cl)Cl Cl[C]1[CH][CH][C]([C](Cl)[CH]1)[C]2[N]N[C]([N]2)SCC(=O)C3=C4C=CC=C[C]4N[C@@H]3[C]5[CH][CH][CH][CH][CH]5 InChIKey=DFFJSPBSGGQTCH-JOCHJYFZSA-N InChI=1S/C24H17Cl2N4OS/c25-15-10-11-16(18(26)12-15)23-28-24(30-29-23)32-13-20(31)21-17-8-4-5-9-19(17)27-22(21)14-6-2-1-3-7-14/h1-12,22,27H,13H2,(H,28,29,30)/t22-/m1/s1 InChI=1/C24H17Cl2N4OS/c25-15-10-11-16(18(26)12-15)23-28-24(30-29-23)32-13-20(31)21-17-8-4-5-9-19(17)27-22(21)14-6-2-1-3-7-14/h1-12,22,27H,13H2,(H,28,29,30)/t22-/m1/s1/f/h30H 3650.0636189472 -2527.6463039 1-A 15009.3923 123 403 526 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479.05001 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 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 6.8770 15.1770 18.6531 33.0280 41.8305 42.3922 51.3118 60.9898 70.0059 77.3497 94.1347 119.3228 151.6284 191.0943 202.9702 204.3341 209.3727 222.2947 238.0169 243.5947 276.3020 295.0090 300.4788 339.9452 354.4463 376.7123 396.1585 429.2187 433.9723 450.8487 454.4720 498.8814 503.7518 521.0242 524.1085 536.0099 563.6556 582.5146 600.7996 610.2251 615.5977 637.2364 647.4665 651.9439 663.3094 677.0438 714.9565 739.8128 777.9785 779.1719 782.5325 806.0253 808.7181 836.5163 856.2205 862.5092 868.5804 884.6435 886.1307 923.9481 953.5537 955.0183 962.4225 976.3964 989.5399 1009.3533 1024.3495 1049.0127 1056.4130 1080.7972 1089.7926 1107.0708 1113.2601 1116.2311 1131.8737 1137.1266 1137.3566 1147.0735 1147.6438 1157.4831 1188.2041 1204.3957 1204.8364 1219.5018 1220.3713 1228.1601 1233.0708 1266.8756 1271.5807 1293.7721 1294.9005 1306.0826 1307.3627 1322.4656 1341.0211 1351.1321 1382.7323 1404.0653 1407.4579 1433.1213 1453.7490 1475.5411 1492.5740 1502.1785 1529.1873 1537.3241 1575.5248 1585.6410 1588.7941 1599.4683 1624.1251 1649.3019 1665.4086 1670.1504 1692.7983 1738.3622 1746.5657 1764.5670 1782.3824 1786.0027 1804.0365 1807.7830 1853.3526 2010.4902 3248.6562 3276.4778 3359.9128 3361.4445 3378.6998 3382.0354 3391.3605 3393.0422 3398.6145 3404.0896 3408.5418 3414.0521 3416.0283 3419.5847 3456.5559 3856.8785 3901.0552 7.7913 9.1990 8.1012 9.4872 8.5100 4.1400 6.7724 7.0924 5.8127 9.0307 6.0405 4.9719 6.9290 6.2605 12.6413 6.5037 7.5546 5.6266 5.0241 12.0451 13.2956 4.0480 4.8042 5.1021 5.7635 5.7928 6.1689 6.5652 10.8661 5.2804 2.8905 4.7242 4.3322 3.9479 5.4927 2.7643 6.4172 3.1926 5.4476 1.3114 8.2118 1.6780 3.9105 3.7378 3.1574 6.1419 5.3747 7.3512 3.5339 3.0351 3.7243 4.6851 5.2818 3.7135 1.6943 1.6887 7.6172 4.8759 5.6056 4.3752 1.5946 1.4366 1.2511 5.2906 2.4498 1.4212 3.8911 2.6205 1.3954 9.1407 6.1697 1.3631 1.3778 3.6084 2.2410 2.6854 1.9420 5.2170 1.3486 1.3943 1.8138 3.2545 3.4905 3.3161 2.9440 3.1210 2.6050 1.4085 2.3144 2.3293 1.3649 1.1728 1.4560 1.5287 1.5977 1.2697 2.3010 1.6038 1.5111 1.8319 1.6042 1.9348 3.6035 1.3381 1.8613 3.2693 3.2185 3.4006 1.8031 1.2622 2.1104 3.2509 4.5306 2.2553 3.0746 6.4730 6.1750 7.4008 4.8625 5.1809 5.0949 6.8463 6.5698 12.4148 1.0834 1.0682 1.0904 1.0912 1.0988 1.0913 1.0909 1.0953 1.0911 1.0990 1.0943 1.0973 1.0967 1.0944 1.0970 1.0819 1.0843 0.0002 0.0012 0.0017 0.0061 0.0088 0.0044 0.0105 0.0155 0.0168 0.0318 0.0315 0.0417 0.0939 0.1347 0.3068 0.1600 0.1951 0.1638 0.1677 0.4211 0.5980 0.2076 0.2556 0.3474 0.4266 0.4844 0.5704 0.7126 1.2057 0.6324 0.3517 0.6927 0.6477 0.6314 0.8889 0.4679 1.2012 0.6383 1.1585 0.2877 1.8335 0.4015 0.9659 0.9360 0.8185 1.6588 1.6187 2.3706 1.2602 1.0857 1.3437 1.7934 2.0353 1.5310 0.7318 0.7402 3.3858 2.2482 2.5934 2.2006 0.8543 0.7720 0.6828 2.9717 1.4134 0.8531 2.4056 1.6990 0.9175 6.2910 4.3172 0.9843 1.0061 2.6489 1.6915 2.0458 1.4801 4.0444 1.0465 1.1006 1.5088 2.7815 2.9854 2.9056 2.5833 2.7737 2.3337 1.3319 2.2049 2.2972 1.3484 1.1787 1.4662 1.5752 1.6928 1.3657 2.5921 1.8628 1.7636 2.2168 1.9975 2.4819 4.7298 1.7791 2.5644 4.5524 4.7071 5.0375 2.6816 1.9025 3.2799 5.2103 7.4038 3.7065 5.1910 11.5250 11.0983 13.5770 9.1015 9.7370 9.7696 13.1825 13.2960 29.5661 6.7368 6.7565 7.2526 7.2648 7.3906 7.3544 7.3927 7.4296 7.4254 7.5032 7.4905 7.5357 7.5404 7.5398 7.7221 9.4825 9.7224 1.5940 2.7845 0.6153 0.3613 3.9697 0.0324 0.6208 0.2281 1.9226 2.5431 0.5469 0.0397 2.8942 0.0077 1.2019 0.6384 5.6869 2.1029 0.1578 2.9599 0.2926 3.5225 1.4511 0.2519 2.8714 1.3974 1.1631 6.3773 2.1987 1.8760 0.1055 5.0356 3.7388 21.2940 4.3117 20.0146 0.3499 11.4581 19.7822 109.6019 23.3321 53.1221 5.0367 6.3045 33.7410 0.8243 12.0465 4.7040 29.0673 33.0578 5.5063 5.5972 16.2664 3.1141 109.9401 58.9570 9.0458 30.7330 22.9828 25.3815 1.9018 32.0598 0.1971 1.9485 8.7204 14.3492 6.7058 4.9397 0.3915 10.3234 5.8808 0.3315 0.1253 1.1598 0.9586 21.9328 10.6130 16.9299 0.0668 1.8828 11.1008 94.2686 9.8966 18.4052 8.8124 42.0870 86.9416 81.0493 46.8482 12.1821 8.8147 2.6763 3.4216 22.3225 1.8200 27.3179 4.4521 4.6210 16.7953 23.5261 7.6939 59.3296 148.1607 3.7600 29.0405 42.1151 56.9317 72.3174 38.9111 14.4059 17.9487 56.4087 166.4427 48.7995 154.2289 10.6559 75.2140 32.9967 35.6095 1.7126 1.5680 99.2699 294.3410 117.8132 19.9473 2.6422 8.2016 4.9109 0.8386 1.5525 2.5630 11.6990 1.2221 9.7535 0.7204 0.7611 0.2835 0.2541 6.2377 162.4322 206.6560 3.0124 2.6004 2.4283 2.7180 2.0449 8.4945 5.2821 1.6153 5.1515 2.1424 1.1865 4.9448 0.7897 1.6257 1.3757 3.2432 0.4651 0.5515 4.5236 2.6757 5.1112 1.3143 1.1499 6.6679 2.1959 0.8738 2.7864 1.7114 6.5470 1.1548 0.1122 0.2029 3.3483 2.5136 3.3122 1.6126 1.1345 4.4243 4.3294 0.6855 1.7074 4.1849 0.7185 3.5003 2.9833 5.3650 6.0240 8.6275 3.4934 1.7806 7.1561 1.3150 3.1578 10.5272 6.0311 1.1435 1.0832 2.7694 3.5983 16.6184 1.3016 1.0320 1.3605 3.3754 4.3462 1.0802 3.6577 28.5357 0.7901 17.1000 32.3949 0.6904 0.3586 6.6121 5.8618 4.7954 6.6240 3.5650 0.0872 4.8826 0.4327 2.0009 2.5960 6.7549 4.3221 7.3108 4.4646 7.2951 2.8431 3.7905 27.2172 3.5817 6.6622 18.7959 3.2370 1.9664 6.6533 4.8143 76.6882 17.3224 2.5802 4.7095 35.7592 3.2642 30.9713 10.3062 70.2831 18.6151 58.5882 13.7994 1.4221 3.4451 253.8320 23.0928 32.0407 4.7834 127.2064 11.4512 29.6295 9.5177 38.3842 135.2363 187.1954 25.3107 104.2911 99.0120 23.1188 48.9586 35.9629 80.6053 76.7962 65.9914 38.9675 275.9646 103.1732 242.5520 117.0507 56.1196 59.5654 53.3518 101.4495 0.7399 0.6701 0.7499 0.7352 0.7079 0.7457 0.7401 0.7500 0.7448 0.7177 0.6740 0.7488 0.6975 0.7275 0.6088 0.6868 0.7465 0.7295 0.7484 0.5206 0.3499 0.4013 0.3023 0.1892 0.1620 0.6209 0.6794 0.1439 0.2026 0.2421 0.6709 0.3111 0.2972 0.7477 0.1087 0.6415 0.5638 0.3069 0.5533 0.7498 0.6480 0.7322 0.6714 0.6413 0.5248 0.7308 0.2266 0.2079 0.3113 0.4569 0.2769 0.7214 0.7388 0.5578 0.6289 0.7366 0.7037 0.2987 0.4487 0.2010 0.6054 0.5157 0.7454 0.6466 0.7393 0.6363 0.4463 0.4283 0.2527 0.0585 0.1241 0.7465 0.6150 0.3830 0.1198 0.1790 0.3671 0.7463 0.7495 0.7490 0.6882 0.6541 0.6399 0.3161 0.5486 0.0799 0.5424 0.6400 0.5177 0.2331 0.2006 0.6419 0.5595 0.7500 0.7201 0.6487 0.3546 0.3884 0.2839 0.1816 0.3615 0.6383 0.6855 0.6917 0.1377 0.7499 0.2071 0.2251 0.4672 0.4760 0.2191 0.2924 0.1482 0.1981 0.1250 0.4748 0.4783 0.1313 0.2336 0.6556 0.5219 0.3951 0.3364 0.2147 0.2454 0.1927 0.3775 0.5653 0.5807 0.6525 0.6391 0.7500 0.6755 0.1261 0.7417 0.1354 0.2125 0.2306 0.1851 0.3315 0.2959 0.8505 0.8025 0.8571 0.8474 0.8290 0.8543 0.8507 0.8571 0.8537 0.8356 0.8052 0.8564 0.8218 0.8422 0.7569 0.8143 0.8549 0.8436 0.8561 0.6847 0.5184 0.5727 0.4643 0.3182 0.2788 0.7661 0.8091 0.2516 0.3370 0.3898 0.8030 0.4746 0.4582 0.8556 0.1961 0.7816 0.7211 0.4696 0.7124 0.8570 0.7864 0.8454 0.8034 0.7815 0.6884 0.8444 0.3695 0.3443 0.4748 0.6272 0.4337 0.8382 0.8498 0.7161 0.7722 0.8483 0.8261 0.4600 0.6194 0.3348 0.7542 0.6805 0.8542 0.7854 0.8501 0.7778 0.6172 0.5997 0.4035 0.1105 0.2207 0.8549 0.7616 0.5539 0.2139 0.3036 0.5371 0.8547 0.8568 0.8565 0.8153 0.7909 0.7804 0.4804 0.7085 0.1480 0.7033 0.7805 0.6822 0.3781 0.3342 0.7819 0.7175 0.8571 0.8373 0.7869 0.5236 0.5595 0.4423 0.3073 0.5311 0.7792 0.8134 0.8177 0.2420 0.8571 0.3431 0.3675 0.6368 0.6449 0.3594 0.4525 0.2581 0.3307 0.2223 0.6439 0.6471 0.2321 0.3787 0.7920 0.6858 0.5664 0.5035 0.3535 0.3940 0.3232 0.5481 0.7223 0.7347 0.7897 0.7799 0.8571 0.8063 0.2240 0.8517 0.2385 0.3505 0.3748 0.3124 0.4980 0.4567 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 6 6 6 6 1 6 6 6 6 6 6 6 7 1 6 8 6 16 6 7 1 7 6 7 6 6 6 6 6 6 17 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 1.00783 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 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 13226.1633 20685.7215 22165.5750 0.99974 -0.01960 0.01159 0.01863 0.99671 0.07882 -0.01309 -0.07858 0.99682 1 0.00655 0.00419 0.00391 0.13645 0.08725 0.08142 9.89 21.84 26.84 47.52 60.18 60.99 73.83 87.75 100.72 111.29 135.44 171.68 218.16 274.94 292.03 293.99 301.24 319.83 342.45 350.48 397.54 424.45 432.32 489.11 509.97 542.00 569.98 617.55 624.39 648.67 653.88 717.78 724.79 749.64 754.08 771.20 810.97 838.11 864.42 877.98 885.71 916.84 931.56 938.00 954.35 974.12 1028.66 1064.43 1119.34 1121.05 1125.89 1159.69 1163.56 1203.56 1231.91 1240.96 1249.69 1272.80 1274.94 1329.36 1371.95 1374.06 1384.71 1404.82 1423.73 1452.23 1473.81 1509.30 1519.94 1555.03 1567.97 1592.83 1601.73 1606.01 1628.51 1636.07 1636.40 1650.38 1651.20 1665.36 1709.56 1732.86 1733.49 1754.59 1755.84 1767.05 1774.11 1822.75 1829.52 1861.45 1863.07 1879.16 1881.00 1902.73 1929.43 1943.98 1989.44 2020.14 2025.02 2061.94 2091.62 2122.97 2147.48 2161.30 2200.16 2211.87 2266.83 2281.38 2285.92 2301.28 2336.75 2372.98 2396.15 2402.97 2435.56 2501.12 2512.92 2538.82 2564.45 2569.66 2595.61 2601.00 2666.56 2892.65 4674.09 4714.12 4834.17 4836.37 4861.20 4865.99 4879.41 4881.83 4889.85 4897.73 4904.13 4912.06 4914.90 4920.02 4973.21 5549.19 5612.75 0.392730 0.418152 0.419097 0.331205 -2527.253574 -2527.228152 -2527.227207 -2527.315099 2.947912D-04 MUNgauss RevisionA2.1 retrievium 02-Apr-2021 DUDE c1ccc(cc1)[C@@H]2C(=c3ccccc3=[NH+]2)C(=O)CSc4[nH]nc(n4)c5ccc(cc5Cl)Cl C39944520 RHF 6-31G(d) (6D,10F) C1 479.050014 |X|Y|Z| 63.072163 57.202201 88.085969 68.242103 29 6 7 16 24 4 1 |36.858105| |13.771034|36.858105| |7.940576|13.729862|36.858105| |6.861623|7.919145|13.732229|36.858105| |7.935508|6.868121|7.929255|13.683825|36.858105| |13.718399|7.934327|6.874568|7.924780|13.782131|36.858105| |4.434366|5.023156|7.587534|12.533373|7.514575|5.008358|36.858105| |3.989990|4.791761|7.350737|8.853749|5.573841|4.184559|17.547128|0.500000| |3.679492|3.896509|5.122385|7.375567|6.139673|4.297012|12.642335|0.252318|36.858105| |3.119090|3.212402|3.994841|5.397600|4.977594|3.664548|8.140555|0.177852|14.135917|36.858105| |2.587915|2.612281|3.085282|3.882267|3.798757|3.006550|5.040273|0.121806|7.401400|13.131506|36.858105| |2.314922|2.323306|2.688548|3.283029|3.256480|2.662675|4.089870|0.101159|5.142358|7.958924|14.235287|36.858105| |2.346726|2.365519|2.741539|3.328261|3.273903|2.684158|4.137790|0.102165|4.650682|6.855372|7.826005|13.105268|36.858105| |2.667535|2.724526|3.234206|4.005563|3.827234|3.053610|5.167660|0.124329|5.286774|7.594525|6.569793|7.700768|14.103938|36.858105| |3.172646|3.298250|4.127942|5.513623|4.972448|3.687178|8.301279|0.180217|8.432539|13.069172|7.601029|6.824113|8.086504|13.413041|36.858105| |3.785268|4.097464|5.494615|7.681615|6.053911|4.318750|13.047993|0.255119|8.317551|8.450327|5.291039|4.674320|5.280482|7.742672|14.632503|53.358707| |3.772621|4.128986|5.390800|6.771473|5.463456|4.164983|8.783241|0.205286|5.848029|5.915611|4.229760|3.960184|4.657233|6.833364|9.316398|25.981342|0.500000| |3.471683|3.637290|4.508593|5.753535|5.146190|3.952022|7.107721|0.177494|12.623098|7.529148|5.928705|4.204955|3.617491|3.811030|5.111746|6.887540|0.112649|36.858105| |3.006226|3.045719|3.574697|4.403096|4.279423|3.449993|5.135428|0.129085|8.206324|6.674840|6.388535|4.425629|3.585726|3.568995|4.480757|5.655188|0.095137|16.040825|73.516695| |3.677946|4.025371|4.948461|5.572952|4.735819|3.911888|5.998959|0.169395|7.231039|4.908481|4.051237|3.171577|2.863914|3.060445|3.920188|5.700966|0.099076|12.527530|14.343747|36.858105| |2.786706|3.057889|3.576945|3.747206|3.273492|2.863627|4.144350|0.125126|4.809394|3.805110|3.427367|2.785537|2.498329|2.594490|3.139861|4.414725|0.079388|6.836153|10.578750|10.501958|388.023441| |2.648269|3.011641|3.652340|3.726167|3.090731|2.674683|4.401652|0.146578|4.742603|3.854782|3.379932|2.815389|2.599569|2.753068|3.332758|4.776596|0.086782|5.568283|8.249619|6.995654|77.160663|36.858105| |2.280274|2.577466|3.020545|3.008456|2.559214|2.274004|3.453345|0.112802|3.617992|3.132280|2.852013|2.465584|2.302352|2.411215|2.806228|3.980115|0.074380|4.043867|6.395981|4.757429|49.962518|14.359471|53.358707| |2.102150|2.344617|2.676835|2.657482|2.316092|2.091814|2.968206|0.093949|3.135458|2.762195|2.577143|2.251603|2.092831|2.164557|2.476182|3.476094|0.065456|3.559719|5.834654|4.176488|45.232448|9.041434|26.046482|0.500000| |2.194281|2.504467|2.955648|2.913796|2.450953|2.176024|3.400252|0.113887|3.413290|3.041312|2.747013|2.432968|2.329175|2.468813|2.836180|4.058487|0.077213|3.543969|5.579845|3.939612|35.016481|8.718636|19.299337|0.259713|53.358707| |2.459936|2.852130|3.504904|3.487539|2.829496|2.452788|4.279183|0.152753|4.151135|3.632142|3.141828|2.753208|2.671624|2.905599|3.435087|5.033763|0.094890|4.086369|6.168653|4.433858|35.488193|9.131917|12.569522|0.175867|20.100025|36.858105| |2.839436|3.300969|4.212317|4.334659|3.414263|2.874605|5.548414|0.206244|5.579889|4.471020|3.700327|3.089929|2.929549|3.204530|3.995713|5.920703|0.106629|5.709886|8.016526|6.454137|49.311707|14.639853|12.040062|0.169409|11.631607|13.946809|53.358707| |2.374514|2.763008|3.384594|3.333575|2.704476|2.355736|4.091135|0.145395|3.735209|3.428841|2.951946|2.686095|2.716628|3.023808|3.478861|5.187203|0.101941|3.425733|5.247685|3.540996|26.040101|5.408082|7.414277|0.120590|10.702094|12.854810|10.304934|36.858105| |2.258589|2.650882|3.144597|2.965631|2.441150|2.188619|3.409818|0.116826|3.048123|2.805436|2.449952|2.268260|2.319607|2.577525|2.894204|4.371500|0.089003|2.842971|4.418409|3.013983|22.157645|4.297614|6.172113|0.106423|8.577813|7.710496|7.273884|13.692321|36.858105| |2.113160|2.453493|2.849370|2.691321|2.257282|2.045552|3.040469|0.100243|2.690985|2.548725|2.247884|2.133030|2.231895|2.493867|2.715032|4.090218|0.085972|2.462560|3.885192|2.548517|18.252081|3.307919|4.658079|0.083586|5.958004|5.068746|5.415547|7.864663|13.786018|36.858105| |2.070520|2.365379|2.759314|2.687011|2.273906|2.038857|3.105066|0.100293|2.750034|2.689838|2.379444|2.303423|2.468003|2.785411|2.956240|4.397008|0.093875|2.444103|3.883658|2.442605|17.128062|3.032445|4.154619|0.074793|5.137609|4.467195|5.015485|6.843905|7.999128|13.781364|36.858105| |2.151842|2.435222|2.904992|2.939575|2.473732|2.165158|3.577179|0.116051|3.209702|3.214294|2.824717|2.741972|2.963339|3.374771|3.580592|5.214699|0.109232|2.773724|4.395270|2.686528|18.659585|3.338820|4.457805|0.078941|5.479164|5.013536|5.713406|7.870470|6.897944|7.921370|13.780617|36.858105| |2.306144|2.628930|3.220215|3.305327|2.719413|2.335993|4.216430|0.144008|3.863724|3.767140|3.248594|3.036404|3.164405|3.574439|4.006793|5.817646|0.115290|3.349780|5.207535|3.248188|22.894287|4.365881|5.731519|0.097377|7.315956|7.521227|8.040788|13.707904|8.005043|6.891857|7.992576|13.777423|36.858105| |2.287174|2.527506|3.096975|3.397732|2.867875|2.399855|4.603412|0.146955|4.673548|4.942127|4.362653|4.063803|4.143345|4.542148|5.074888|6.597583|0.121980|3.909611|6.203924|3.492265|24.266858|4.409050|5.496377|0.094516|6.333891|6.092836|7.847330|6.962473|4.753483|4.225873|4.799306|7.116408|10.913411|448.794386| |1.859734|2.086777|2.357105|2.295034|2.001147|1.828386|2.562556|0.079193|2.287551|2.279748|2.057591|2.039041|2.219555|2.484219|2.537634|3.722024|0.081227|2.042092|3.302761|2.025967|14.089567|2.378858|3.255166|0.060257|3.841910|3.176065|3.773103|4.217325|4.783390|7.046258|10.988464|7.074040|4.790128|28.562896|448.794386| |17.731441|8.924906|5.647271|4.947188|5.648108|8.909957|3.547262|0.090798|3.061167|2.666300|2.277512|2.065985|2.092882|2.342776|2.707062|4.269164|0.087653|2.951954|4.670822|3.139641|17.645068|2.348660|2.805450|0.053413|2.701258|2.188420|3.372991|2.119515|2.044057|1.929368|1.885139|1.938184|2.054962|16.284110|13.787105|0.500000| |8.916176|17.732677|8.920373|5.641440|4.950666|5.642252|4.100798|0.114087|3.288919|2.772023|2.307605|2.076976|2.117165|2.412921|2.849188|4.713459|0.098383|3.137247|4.755109|3.541724|20.228577|2.842850|3.392214|0.063481|3.320922|2.737405|4.192412|2.672304|2.638168|2.456747|2.329550|2.344848|2.503054|18.851843|16.628773|0.214902|0.500000| |5.649800|8.919862|17.701053|8.900095|5.635866|4.951550|7.050190|0.226833|4.800087|3.789642|2.955467|2.591361|2.649786|3.121227|3.938967|7.108170|0.144659|4.265683|6.007594|4.833258|26.380871|4.038940|4.573176|0.081375|4.577311|4.083358|6.582836|3.993014|3.758253|3.339701|3.155729|3.275653|3.670019|26.925924|21.067348|0.124243|0.215645|0.500000| |5.648611|4.948161|5.633674|8.868102|17.699934|8.947970|6.938492|0.139942|6.613242|5.770870|4.429859|3.762623|3.732998|4.300663|5.585937|8.389944|0.147894|5.367995|8.325947|4.491321|22.513069|2.957676|3.346898|0.062101|3.198460|2.696760|4.410799|2.575332|2.296883|2.132984|2.177393|2.402746|2.641032|23.190729|15.468525|0.124315|0.107462|0.123772|0.500000| |8.902948|5.645309|4.953929|5.641767|8.938449|17.731648|4.083922|0.096161|3.733525|3.325989|2.838270|2.552905|2.561781|2.849999|3.320808|5.040191|0.099442|3.510736|5.690535|3.405777|18.343784|2.381820|2.794593|0.053029|2.669124|2.179780|3.430271|2.096202|1.954151|1.840312|1.843404|1.955750|2.092993|17.440144|13.441337|0.214820|0.124083|0.107519|0.216330|0.500000| |2.470813|2.483437|2.888555|3.552758|3.511853|2.848904|4.404660|0.109608|6.548269|8.716748|17.803305|9.011566|5.566109|4.798961|5.482804|5.841861|0.098124|6.319236|14.000416|4.247764|26.295742|3.479974|3.992007|0.074569|3.741970|3.065283|4.953800|2.792769|2.331645|2.117567|2.204721|2.575711|2.982957|31.325520|15.306328|0.060923|0.061369|0.076997|0.112208|0.075364|0.500000| |2.072303|2.068039|2.347517|2.793568|2.801989|2.360001|3.346127|0.084736|4.104462|5.628088|9.072782|17.754699|8.761133|5.588891|4.932483|5.036431|0.090130|3.611229|6.983508|2.815262|18.154603|2.552240|3.101960|0.058639|3.049506|2.478703|3.720844|2.409868|2.061886|1.947744|2.094859|2.460984|2.694389|28.303054|15.077248|0.052056|0.051908|0.063090|0.088861|0.063703|0.215193|0.500000| |2.110164|2.117676|2.406120|2.839010|2.819319|2.384341|3.387857|0.085669|3.684272|4.944743|5.644008|8.778015|17.723378|9.105503|5.704259|5.730025|0.108705|3.010777|5.360560|2.466865|15.648535|2.290859|2.816562|0.052771|2.866694|2.378347|3.469588|2.445695|2.126592|2.077352|2.311935|2.741940|2.846528|28.989600|17.100352|0.052984|0.053269|0.064912|0.087970|0.063984|0.123770|0.215731|0.500000| |2.584353|2.646482|3.094580|3.700131|3.533424|2.907214|4.526338|0.112252|4.293435|5.466007|4.795605|5.512415|8.951047|17.756206|8.746330|9.257969|0.193244|3.230312|5.349185|2.712769|16.570532|2.496417|3.026644|0.055690|3.140886|2.703365|3.954723|2.894162|2.526478|2.506836|2.849067|3.413954|3.448860|33.118852|20.971177|0.063591|0.065775|0.083531|0.107050|0.075584|0.104944|0.123115|0.216559|0.500000| |3.827230|4.015553|4.598961|5.074872|4.702505|4.087094|4.921760|0.132629|5.723987|4.195229|3.611896|2.889340|2.609622|2.756308|3.428512|4.942379|0.087891|9.044204|12.958838|17.594257|57.918982|5.249830|5.367655|0.100774|4.491908|3.580799|6.486797|2.966574|2.610034|2.253382|2.161043|2.340887|2.747918|23.484050|14.706003|0.092067|0.098260|0.119681|0.123863|0.100690|0.106726|0.072444|0.063253|0.068553|0.500000| |4.192208|4.906096|6.469621|6.800200|5.188555|4.275984|6.974800|0.211924|6.938431|4.670674|3.699943|2.986561|2.798674|3.084733|3.998061|6.205086|0.109565|8.708577|10.417030|17.709528|56.549301|6.937282|6.494160|0.113508|5.610783|4.826204|9.723622|3.906954|3.360087|2.813818|2.662475|2.896499|3.503120|28.789919|17.540729|0.097040|0.118860|0.181614|0.128053|0.099459|0.103100|0.073071|0.067181|0.077290|0.301973|0.500000| |2.235494|2.636756|3.070698|2.833314|2.349019|2.137875|3.152392|0.106707|2.848421|2.579288|2.269859|2.086761|2.106788|2.316130|2.608241|3.933862|0.079615|2.744267|4.277982|3.008055|22.717984|4.398960|6.595776|0.115610|9.125233|7.212521|6.986923|8.955466|17.746835|8.957154|5.678908|4.967306|5.683410|31.462346|31.661763|0.056609|0.074078|0.102303|0.060966|0.053079|0.060868|0.053080|0.053775|0.062784|0.073084|0.093532|0.500000| |2.001856|2.318319|2.625111|2.442136|2.078203|1.916482|2.674317|0.086293|2.375785|2.248510|2.002553|1.908985|1.994739|2.212647|2.386398|3.587396|0.075918|2.204375|3.507640|2.303712|16.546398|2.912412|4.141850|0.076148|5.131785|4.133410|4.589162|5.614025|8.909032|17.758414|8.921082|5.642594|4.965016|27.405001|53.681937|0.051344|0.065533|0.084849|0.054368|0.048141|0.052743|0.048814|0.052017|0.062159|0.057485|0.070511|0.215301|0.500000| |2.058065|2.287558|2.698616|2.789180|2.398140|2.096895|3.391675|0.105501|3.090601|3.215433|2.876192|2.877825|3.201358|3.646826|3.683739|5.189683|0.109911|2.634499|4.238963|2.489964|17.092453|2.950559|3.901038|0.070204|4.613338|4.082818|4.917429|5.621291|4.969559|5.642211|8.915946|17.772537|8.921058|54.726920|53.962667|0.051657|0.060763|0.082321|0.065653|0.053093|0.071875|0.071871|0.083593|0.104929|0.060888|0.073501|0.107847|0.124165|0.500000| 2525.645012 -13232.188709 4774.344603 -245.511140 -6177.710234 3650.063882 -2527.646352 2.000792 40D5CC000000000B 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