Version2.4 2021-05-30T10:23:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc(cc1)NC(=O)[C@H](C)Sc2nc3cc(ccc3c(=O)n2C[C@@H](C)O)C(=O)[O-] C13052385 RHF 6-31G(d) (6D,7F) CCOc1ccc(cc1)NC(=O)[C@H](C)Sc2nc3cc(ccc3c(=O)n2C[C@@H](C)O)C(=O)[O-] C01[X(C23H24N3O6S1)] 165 C1 547 CCOc1ccc(cc1)NC(=O)[C@@H](Sc1nc2cc(ccc2c(=O)n1C[C@H](O)C)C(=O)[O-])C CCOc1ccc(cc1)NC(=O)[C@@H](Sc1nc2cc(ccc2c(=O)n1C[C@H](O)C)C(=O)[O-])C CCOc1ccc(NC(=O)[C@H](C)SC2=Nc3cc(ccc3C(=O)N2C[C@@H](C)O)C([O-])=O)cc1 InChIKey=YXUSKKGFKJXAOB-KGLIPLIRSA-M InChI=1S/C23H25N3O6S/c1-4-32-17-8-6-16(7-9-17)24-20(28)14(3)33-23-25-19-11-15(22(30)31)5-10-18(19)21(29)26(23)12-13(2)27/h5-11,13-14,27H,4,12H2,1-3H3,(H,24,28)(H,30,31)/p-1/t13-,14+/m1/s1 InChI=1/C23H25N3O6S/c1-4-32-17-8-6-16(7-9-17)24-20(28)14(3)33-23-25-19-11-15(22(30)31)5-10-18(19)21(29)26(23)12-13(2)27/h5-11,13-14,27H,4,12H2,1-3H3,(H,24,28)(H,30,31)/p-1/t13-,14+/m1/s1/fC23H24N3O6S/h24H/q-1 CCOc1ccc(cc1)NC(=O)[C@H](C)Sc2nc3cc(ccc3c(=O)n2C[C@@H](C)O)C(=O)[O-] C01[X(C23H24N3O6S1)] 165 C01 547 CCOc1ccc(cc1)NC(=O)[C@@H](Sc1nc2cc(ccc2c(=O)n1C[C@H](O)C)C(=O)[O-])C CCO[C]1[CH][CH][C]([CH][CH]1)[NH][C](=O)[C@@H](SC1=N[C]2[CH][C]([CH][CH][C]2[C](=O)N1C[C@H](O)C)[C]([O])=O)C CCO[C]1[CH][CH][C]([CH][CH]1)NC(=O)[C@H](C)SC2=N[C]3[CH][C]([CH][CH][C]3C(=O)N2C[C@@H](C)O)C([O])=O InChIKey=VPTGRMPUKJGUDG-KGLIPLIRSA-N InChI=1S/C23H24N3O6S/c1-4-32-17-8-6-16(7-9-17)24-20(28)14(3)33-23-25-19-11-15(22(30)31)5-10-18(19)21(29)26(23)12-13(2)27/h5-11,13-14,27H,4,12H2,1-3H3,(H,24,28)/t13-,14+/m1/s1 InChI=1/C23H24N3O6S/c1-4-32-17-8-6-16(7-9-17)24-20(28)14(3)33-23-25-19-11-15(22(30)31)5-10-18(19)21(29)26(23)12-13(2)27/h5-11,13-14,27H,4,12H2,1-3H3,(H,24,28)/t13-,14+/m1/s1/f/h24H 3539.0145801608 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470.13858 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 13.0605 15.0543 30.1728 32.9423 38.8075 45.5177 48.3029 57.3911 66.8511 72.9111 81.9088 99.5154 108.1987 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1578.3307 1588.1289 1605.4116 1629.9223 1634.5539 1636.2583 1640.0104 1640.8919 1643.3660 1646.1053 1650.4604 1679.2513 1697.6240 1744.7460 1753.3914 1797.4086 1803.4291 1812.1713 1828.1137 1892.7930 1931.2447 1941.3546 3184.5107 3202.7242 3205.0810 3212.2103 3226.1200 3241.2120 3267.9724 3275.2839 3287.9382 3288.0481 3291.2809 3293.0646 3311.6901 3331.0603 3344.3484 3377.2377 3379.6662 3390.9145 3413.0026 3419.5622 3423.5639 3455.4267 3828.9434 4027.4021 6.2054 7.0399 4.4865 4.4656 5.3899 7.1203 3.9271 11.8266 5.3289 6.0127 5.4402 4.2242 8.3017 1.9411 4.8756 6.3392 5.3915 4.8886 7.5305 5.0804 3.5284 6.5573 1.4521 1.4063 1.3890 1.5159 5.5769 6.3456 4.4005 4.9448 6.6171 4.3281 5.6932 5.3115 4.0888 4.7077 6.4513 5.1817 3.1533 4.7157 3.7425 3.6562 2.5363 4.3824 1.1853 2.5152 4.6873 5.6332 6.0105 6.1464 7.7219 5.7459 6.4528 3.1557 3.8988 1.8035 5.1495 4.6503 5.8935 3.7781 4.3680 3.6128 4.5392 10.6349 5.8950 1.0968 4.7230 2.5105 3.2038 1.2621 1.5972 1.6796 2.3744 2.2939 3.7406 3.6859 1.4603 2.2015 1.5986 1.5703 1.3244 2.5944 5.6995 1.3191 2.9892 2.3863 2.4272 2.0603 1.5110 2.1489 1.7592 2.0721 2.4212 2.4771 2.1733 2.7908 1.5211 3.1912 2.6865 1.2604 2.8874 2.0664 1.5468 1.9170 2.4468 3.8610 1.0969 1.7760 1.7682 1.3483 1.6166 1.6288 10.7944 1.6330 1.3030 1.2323 1.3029 1.2434 5.3744 2.5107 1.5353 1.4670 1.0421 1.0440 1.1128 1.0663 2.1486 1.1596 1.0563 1.0971 1.2466 1.9437 2.5680 7.9403 6.3992 3.3292 9.8062 5.3391 11.3268 12.4671 7.6507 1.0853 1.0521 1.0378 1.0412 1.0363 1.1090 1.1032 1.1022 1.1051 1.0989 1.1042 1.0654 1.1011 1.0891 1.1062 1.0920 1.0923 1.0904 1.0934 1.0941 1.0918 1.0933 1.0792 1.0667 0.0006 0.0009 0.0024 0.0029 0.0048 0.0087 0.0054 0.0230 0.0140 0.0188 0.0215 0.0246 0.0573 0.0147 0.0452 0.0797 0.0909 0.0904 0.1630 0.1313 0.1154 0.2345 0.0563 0.0559 0.0629 0.0700 0.3040 0.3599 0.2702 0.3105 0.4320 0.2957 0.4678 0.5033 0.4023 0.4956 0.7176 0.6520 0.4035 0.6577 0.5344 0.5296 0.4237 0.7520 0.2345 0.5294 1.0221 1.2655 1.4091 1.5064 2.0556 1.6094 1.8485 0.9534 1.2341 0.5894 1.8551 1.6853 2.1626 1.3990 1.8670 1.5865 2.0214 4.7887 2.7414 0.5232 2.3807 1.2732 1.6419 0.6573 0.8677 0.9436 1.4147 1.3916 2.2842 2.3371 0.9584 1.4684 1.1167 1.1018 0.9537 1.8755 4.2108 0.9847 2.4193 1.9340 2.0256 1.7314 1.2977 1.8486 1.5386 1.8374 2.2401 2.3314 2.1093 2.7491 1.5144 3.2275 2.7290 1.2866 3.1182 2.3049 1.7430 2.2081 2.8272 4.5801 1.3272 2.1703 2.1824 1.6955 2.1433 2.1849 14.6008 2.2282 1.8201 1.7309 1.8696 1.7964 7.8480 3.6850 2.2815 2.2278 1.6311 1.6434 1.7553 1.6898 3.4085 1.8451 1.6863 1.7607 2.0711 3.3003 4.6058 14.3829 12.1807 6.3795 18.9736 10.5130 23.9092 27.3963 16.9887 6.4848 6.3582 6.2813 6.3296 6.3545 6.8641 6.9415 6.9663 7.0391 6.9996 7.0472 6.8073 7.1148 7.1199 7.2895 7.3384 7.3507 7.3871 7.5043 7.5376 7.5394 7.6914 9.3221 10.1943 3.0583 5.7194 0.9808 1.2809 3.8132 3.1586 1.0477 0.4424 2.5700 10.0690 2.2812 2.6074 7.1340 0.9418 1.5896 0.8002 0.1159 3.5945 7.6843 1.2880 1.3715 2.2757 1.9734 0.9857 1.0365 1.9220 6.7036 4.5959 3.7776 7.7581 0.8563 1.9900 11.2485 3.3050 4.5064 8.2987 0.2453 13.4360 0.6011 4.2701 6.5646 5.5751 4.3122 11.1008 82.5977 7.3628 6.8968 29.2910 12.1007 11.0513 5.8145 10.0683 3.3914 28.1525 11.4081 51.7046 5.7583 2.4500 20.2220 0.6239 41.0487 92.8009 5.7887 135.7697 2.2307 2.7324 2.5495 11.0163 9.6186 1.1328 93.7605 1.8647 10.7457 15.0117 6.9987 10.6342 24.2112 2.6290 0.6345 9.3470 0.7944 1.1127 3.0905 0.2447 49.3426 107.0190 9.8920 23.2533 25.7823 23.9117 5.8594 11.6624 30.4670 55.1914 8.7173 57.0436 5.4127 24.3905 56.4579 35.6192 137.8857 16.7720 98.5742 336.0476 32.6727 137.2407 0.7486 124.5231 173.4962 7.8250 14.2598 285.5252 504.6836 36.5789 11.8056 16.7502 23.7079 2.4088 29.0360 20.4793 122.4256 76.5458 2.6266 4.5426 9.5090 10.7233 25.7161 7.7276 3.1750 22.5532 129.5402 219.1283 211.6721 215.5099 30.2554 160.3807 545.5394 17.6798 764.9641 594.6467 323.2374 48.1317 28.6453 26.2345 34.5656 33.1464 28.1903 50.5607 45.9661 55.0105 37.1788 26.7469 21.6974 10.4232 5.1118 15.2820 7.2735 14.4835 5.6563 7.3358 6.5275 4.1469 0.7462 208.3439 280.1752 3.0784 2.1845 1.7776 0.3231 1.9045 0.1457 3.3976 1.7254 0.6821 0.6532 0.3099 0.4714 0.9203 0.7325 4.1900 1.0098 0.5958 1.0687 0.4872 1.2801 0.9051 0.9427 0.9227 1.6443 0.5605 0.8392 5.5287 0.9426 1.1591 1.8830 2.5753 0.6692 1.0820 1.1088 1.0224 0.4327 5.3751 0.5161 0.1849 1.3595 0.8758 0.5589 1.0594 0.5783 1.0692 0.1728 3.0050 4.5741 4.0252 0.8268 1.5958 10.1278 6.9724 1.6828 2.2828 5.0089 2.7090 7.2994 10.0500 2.4948 7.5346 2.1766 10.1076 5.0091 0.5853 0.5332 26.0266 8.0638 1.4860 1.9967 0.2648 2.7627 1.4713 4.6913 5.3392 14.7074 1.7735 6.9068 6.2748 1.4238 0.6257 0.1002 2.2808 0.0908 16.9655 5.6241 13.9152 2.7653 3.3647 1.2498 1.1354 2.6484 4.7645 4.7676 7.2516 7.8931 1.1294 8.4979 12.7305 8.2431 22.4465 6.9337 17.4701 13.9535 13.9668 37.2910 13.7491 43.0563 68.0520 2.7348 16.2435 16.7222 36.8330 9.0646 23.5777 0.7190 5.9960 1.3445 13.6687 5.2909 4.3929 6.2364 23.1684 19.8851 7.5265 16.4668 17.9841 10.6024 19.2317 32.7246 2.4788 9.4355 12.9274 81.7580 103.9738 20.5551 109.6006 158.7121 19.8572 1.0627 26.5178 60.9520 21.0509 110.2124 173.0260 131.0659 63.3329 46.0550 86.0165 35.6161 104.5158 97.5392 89.8132 61.9413 16.8983 30.2100 25.8923 171.5382 56.5612 67.0679 120.5766 85.7182 44.9846 102.9799 66.9014 0.7376 0.7238 0.7390 0.6637 0.7291 0.6109 0.7348 0.7437 0.7374 0.7456 0.6560 0.6919 0.7446 0.7356 0.7190 0.5318 0.6721 0.3818 0.4671 0.5312 0.4053 0.6660 0.4673 0.2409 0.4218 0.2806 0.2110 0.2067 0.2042 0.4101 0.7495 0.6263 0.1419 0.4936 0.6683 0.6516 0.7399 0.2003 0.2197 0.7390 0.6008 0.4444 0.5915 0.7353 0.3167 0.6247 0.1199 0.1676 0.0566 0.2988 0.2272 0.4565 0.5577 0.5757 0.4917 0.6224 0.5534 0.4311 0.1790 0.6572 0.3351 0.6559 0.4433 0.1216 0.3711 0.7211 0.0916 0.1742 0.7342 0.7228 0.7085 0.7461 0.7470 0.7290 0.3003 0.3427 0.6970 0.5369 0.7454 0.6857 0.5290 0.7342 0.7405 0.5466 0.2619 0.3601 0.1888 0.5358 0.6635 0.2627 0.7224 0.0262 0.1744 0.1606 0.1053 0.2822 0.7455 0.6282 0.1321 0.2367 0.5225 0.2735 0.7097 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0.8468 0.8509 0.7068 0.4151 0.5295 0.3177 0.6977 0.7977 0.4160 0.8388 0.0510 0.2971 0.2768 0.1905 0.4401 0.8542 0.7716 0.2334 0.3828 0.6863 0.4295 0.8302 0.3474 0.5870 0.3384 0.8553 0.3039 0.3862 0.8512 0.5387 0.8188 0.3709 0.1972 0.6712 0.5295 0.7879 0.8571 0.8317 0.5263 0.5561 0.2941 0.8564 0.8565 0.7749 0.8368 0.3968 0.8337 0.8333 0.6618 0.8073 0.6116 0.8568 0.4597 0.6311 0.7088 0.3973 0.5358 0.4361 0.8000 0.3823 0.5223 0.7251 0.0540 0.0218 0.0565 0.8571 0.8500 0.8508 0.8469 0.5763 0.8539 0.3749 0.8156 0.2181 0.8251 0.6506 0.5174 0.6361 0.3126 0.4083 0.2763 0.3518 0.3335 0.3958 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 57 6 6 8 6 6 6 6 6 6 7 6 8 6 1 6 16 6 7 6 6 6 6 6 6 6 8 7 6 6 1 6 8 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 15.99491 15.99491 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 13539.9239 23573.4446 30548.1468 0.99989 0.01321 0.00666 -0.01327 0.99986 0.01003 -0.00653 -0.01012 0.99993 1 0.00640 0.00367 0.00284 0.13329 0.07656 0.05908 18.79 21.66 43.41 47.40 55.84 65.49 69.50 82.57 96.18 104.90 117.85 143.18 155.67 163.38 180.56 210.23 243.36 254.96 275.76 301.29 339.01 354.50 369.15 373.82 398.83 402.71 437.65 446.39 464.49 469.73 478.91 489.95 537.29 576.99 587.99 608.20 625.17 664.88 670.51 700.01 708.32 713.38 766.12 776.44 833.76 859.97 875.30 888.43 907.58 927.96 967.10 992.01 1003.24 1030.30 1054.59 1071.58 1125.04 1128.40 1135.46 1140.61 1225.45 1242.15 1250.84 1257.80 1278.24 1294.66 1330.80 1334.88 1341.86 1352.74 1381.61 1404.93 1446.88 1459.93 1464.75 1492.57 1518.53 1530.87 1566.65 1570.13 1590.59 1593.73 1611.13 1619.45 1686.31 1687.49 1712.35 1718.31 1737.11 1738.51 1752.96 1765.07 1802.98 1818.47 1846.59 1860.37 1870.34 1885.04 1889.21 1893.80 1947.91 1979.63 1989.74 2011.68 2014.86 2041.51 2061.86 2072.05 2082.41 2101.96 2158.30 2170.97 2180.01 2189.52 2215.34 2221.48 2245.33 2253.00 2265.07 2270.87 2284.96 2309.83 2345.09 2351.76 2354.21 2359.61 2360.88 2364.44 2368.38 2374.64 2416.07 2442.50 2510.30 2522.74 2586.07 2594.73 2607.31 2630.25 2723.31 2778.63 2793.18 4581.80 4608.01 4611.40 4621.65 4641.67 4663.38 4701.88 4712.40 4730.61 4730.77 4735.42 4737.99 4764.78 4792.65 4811.77 4859.09 4862.59 4878.77 4910.55 4919.99 4925.74 4971.59 5509.00 5794.53 0.482955 0.512476 0.513420 0.418144 -1894.603207 -1894.573686 -1894.572742 -1894.668018 3.195573D-04 MUNgauss RevisionA2.1 retrievium 30-May-2021 DUDE CCOc1ccc(cc1)NC(=O)[C@H](C)Sc2nc3cc(ccc3c(=O)n2C[C@@H](C)O)C(=O)[O-] C13052385 RHF 6-31G(d) (6D,10F) C1 470.138583 |X|Y|Z| 106.161348 74.963033 44.550940 70.776674 20 6 7 16 16 3 1 |36.858105| |12.567499|36.858105| |8.088815|13.582961|73.516695| |5.226831|7.992003|24.968712|36.858105| |4.079284|5.249968|14.525300|13.718627|36.858105| |3.191522|3.973759|9.371019|7.895561|13.797614|36.858105| |2.969171|3.777007|8.163971|6.816286|7.934238|13.674724|36.858105| |3.341214|4.511854|9.224370|7.942173|6.929529|7.963152|13.740478|36.858105| |4.404595|6.714401|13.948379|13.759659|7.972637|6.863758|7.886219|13.740268|36.858105| |2.437262|2.968443|6.088108|4.526993|5.115753|7.685213|13.461083|7.962706|5.174877|53.358707| |2.154427|2.535038|5.194267|3.664986|4.310097|6.254999|7.642067|5.171284|3.893276|19.267442|36.858105| |2.142854|2.479626|5.181841|3.592259|4.466698|6.506673|6.471868|4.433517|3.588342|11.424398|15.837114|73.516695| |1.864642|2.156895|4.269692|2.892246|3.219379|4.182146|5.011324|3.998430|3.127730|10.719328|12.399409|14.226326|36.858105| |1.862632|2.168100|4.220873|2.855979|3.071232|3.881416|4.874471|4.139828|3.188217|10.289402|8.806925|10.556211|17.670057|0.500000| |1.693932|1.920930|3.792428|2.500073|2.800090|3.500993|3.866544|3.178593|2.623112|7.085964|7.575996|12.219026|12.463139|0.245686|36.858105| |1.725991|1.971348|3.853149|2.550757|2.796094|3.468578|3.986645|3.363037|2.736465|7.425353|6.814862|9.796800|10.395821|0.223098|7.003792|388.023441| |1.788012|2.065686|3.952454|2.620343|2.749473|3.313067|4.015661|3.648550|2.928189|7.223826|5.353136|7.476333|6.752076|0.194153|4.648354|75.884998|36.858105| |1.929820|2.268882|4.311429|2.905457|2.977447|3.596265|4.648986|4.399310|3.380868|8.575797|5.607500|7.470220|6.623092|0.219231|4.430913|51.360212|15.092887|53.358707| |1.949311|2.296670|4.248287|2.815784|2.771289|3.191964|4.057645|4.209809|3.355531|6.603282|4.143683|5.902325|4.496874|0.144426|3.367161|34.350823|8.320914|18.671398|36.858105| |2.099265|2.512402|4.551771|3.021044|2.861947|3.216067|4.168693|4.725253|3.765454|6.368006|3.794498|5.482265|3.906718|0.127456|3.034720|26.982113|5.377802|10.833135|13.700162|36.858105| |2.076906|2.462520|4.326225|2.781935|2.569178|2.770886|3.420371|3.984642|3.438901|4.897920|3.010624|4.541945|3.049519|0.095773|2.489115|21.551027|4.062422|7.086746|7.924000|13.836146|36.858105| |1.902429|2.206786|3.874071|2.441027|2.285162|2.444502|2.908544|3.255364|2.901073|4.166000|2.661901|4.096958|2.730948|0.083515|2.267778|20.358959|3.877066|6.234717|6.873306|7.938605|13.556671|36.858105| |1.787455|2.054603|3.677315|2.325305|2.234038|2.428387|2.863055|3.065523|2.696825|4.217724|2.766455|4.252509|2.902479|0.087556|2.391345|22.933949|4.616951|7.022015|7.892267|6.857473|7.893052|13.887665|36.858105| |1.807006|2.090347|3.827922|2.470972|2.430662|2.726837|3.281106|3.386065|2.859483|5.085847|3.357573|5.021290|3.629813|0.110261|2.872804|30.046500|6.987358|10.717402|13.699594|7.910567|6.835508|7.936446|13.585452|36.858105| |1.670830|1.903804|3.529854|2.260066|2.280371|2.574485|2.994517|2.951348|2.527529|4.699016|3.286788|5.018087|3.648669|0.105947|2.938332|33.737597|7.916268|9.240997|7.790128|5.113822|4.496805|5.096231|7.648556|13.130511|36.858105| |1.559845|1.753460|3.228874|2.031045|2.044747|2.264610|2.560108|2.534621|2.235345|3.896973|2.763698|4.352808|3.016660|0.086044|2.535808|27.416574|5.444407|6.460563|5.324891|4.000512|3.778084|4.481469|6.604248|8.066612|15.739225|73.516695| |1.665152|1.897481|3.584151|2.320589|2.405714|2.794144|3.245624|3.048230|2.559589|5.354471|3.941836|5.933382|4.625085|0.129952|3.613122|50.170036|13.802952|11.081029|6.982286|4.626109|3.821989|3.960763|5.127111|7.899766|13.656825|15.051162|53.358707| |1.517653|1.701213|3.222004|2.052326|2.155068|2.475127|2.754386|2.550728|2.202767|4.430227|3.423659|5.428484|4.008480|0.107319|3.391590|45.104502|7.602018|7.043120|4.536681|3.408546|2.963263|3.103170|3.862561|5.072693|7.795493|12.697542|17.605720|36.858105| |1.535338|1.708101|3.252353|2.054399|2.174670|2.468867|2.663528|2.452665|2.162345|4.126119|3.181768|5.243104|3.468147|0.090033|2.993586|36.398518|5.481593|5.621636|3.744769|2.959408|2.645927|2.788768|3.399466|4.179716|5.883180|10.671879|10.228015|12.386871|36.858105| |1.671344|1.872739|3.603379|2.299684|2.458701|2.822607|3.038804|2.755156|2.412212|4.696667|3.603877|5.938677|3.776845|0.096127|3.161067|39.614798|5.900720|6.090968|3.976131|3.142278|2.774045|2.875712|3.455562|4.293332|5.710057|9.634424|9.976060|8.890006|17.499716|0.500000| |1.420668|1.561514|2.985566|1.866309|1.999424|2.257612|2.370216|2.157954|1.928334|3.639821|2.899197|4.959636|3.164082|0.080489|2.896326|31.999785|4.193156|4.496597|2.961308|2.445345|2.204897|2.288569|2.684616|3.170453|4.074389|7.406994|6.822154|7.565147|12.518501|0.247415|36.858105| |1.481011|1.635763|3.073339|1.913476|1.990370|2.204175|2.365509|2.240333|2.015994|3.549872|2.654729|4.401135|2.825548|0.075321|2.473842|27.021614|4.300045|4.777982|3.415078|2.768109|2.571666|2.807045|3.473006|4.025771|5.630286|11.966161|7.987279|7.819826|13.616552|0.258422|8.119001|73.516695| |2.209849|2.631794|4.475395|2.822617|2.523382|2.636690|3.195018|3.886345|3.541236|4.358648|2.676559|4.127840|2.643736|0.082290|2.225577|17.987568|3.144031|5.268962|4.983388|7.517409|12.266551|7.391157|4.960874|4.391305|3.292478|5.152162|3.996288|2.397273|2.191692|0.063835|1.881748|3.801191|36.858105| |2.412243|2.935232|4.983331|3.188725|2.800654|2.919417|3.603718|4.583237|4.148717|4.811937|2.884407|4.431669|2.789044|0.087421|2.347178|18.201006|3.083485|5.234902|4.615440|6.938060|8.126900|5.261834|4.012898|3.842502|2.993162|4.648627|3.788744|2.290703|2.101763|0.061735|1.826639|3.586975|15.473170|73.516695| |2.076957|2.416784|4.046552|2.482230|2.223651|2.286059|2.679085|3.175127|3.009590|3.629377|2.291359|3.603365|2.274316|0.069662|1.956492|15.764738|2.708774|4.348299|4.010889|5.313434|8.116173|6.798332|4.565183|3.817985|2.967495|4.809163|3.553778|2.185214|2.019230|0.058231|1.746613|3.565829|15.534693|15.140695|73.516695| |17.546781|8.866342|10.254600|4.236954|3.381422|2.767859|2.648704|3.009191|3.851723|3.027830|1.971937|3.458297|1.735087|0.048493|1.579965|11.496230|1.689607|2.485407|1.866279|2.023900|2.034909|1.872711|1.744965|1.742519|1.604600|2.676495|2.157323|1.445004|1.457237|0.043775|1.347027|2.516798|2.197933|4.242394|3.725883|0.500000| |17.568359|8.859320|12.957706|4.869002|3.993748|3.123744|2.857122|3.137389|4.020426|3.212762|2.113004|3.776880|1.827079|0.050564|1.679862|11.905492|1.711286|2.505378|1.839200|1.972483|1.933599|1.767607|1.668636|1.698255|1.579312|2.619873|2.159882|1.454296|1.467235|0.044232|1.368458|2.503655|2.051696|4.001898|3.421433|0.300267|0.500000| |17.569425|8.859932|12.955897|4.874956|4.002164|3.129885|2.861062|3.139537|4.022110|3.217071|2.110677|3.762301|1.825784|0.050234|1.659647|12.181273|1.768280|2.569783|1.902336|2.018955|1.995709|1.852870|1.760012|1.781488|1.663459|2.776432|2.258154|1.522180|1.556611|0.047228|1.443887|2.678317|2.087748|3.986938|3.502584|0.300281|0.300958|0.500000| |8.850637|17.542134|16.531134|7.095144|4.785847|3.803179|3.751903|4.618182|6.810890|4.058180|2.529576|4.351956|2.170543|0.061373|1.938304|13.896286|2.054378|3.107715|2.318815|2.585837|2.538669|2.236954|2.056113|2.087194|1.882229|3.068030|2.551072|1.672009|1.657763|0.050148|1.515202|2.815693|2.781916|5.661185|4.517592|0.212664|0.212034|0.173399|0.500000| |8.849735|17.543806|16.532721|7.115517|4.801395|3.814907|3.761326|4.625541|6.820067|4.067266|2.525839|4.330198|2.168539|0.060792|1.907624|14.340645|2.155166|3.233198|2.449184|2.693127|2.684065|2.417405|2.234504|2.247598|2.029512|3.327901|2.717366|1.777474|1.789929|0.054643|1.619467|3.071033|2.873520|5.618865|4.708855|0.212609|0.173385|0.212055|0.301490|0.500000| |4.097526|4.860589|13.449447|8.969407|17.725275|8.925894|5.640193|4.981976|5.675129|5.628599|3.730860|7.172081|2.869941|0.075246|2.578062|18.059435|2.452607|3.535151|2.421636|2.471591|2.250642|2.037874|2.006052|2.167734|2.066528|3.339459|2.970947|1.995516|2.037672|0.063685|1.904180|3.330680|2.215219|4.312498|3.529619|0.092905|0.114858|0.115165|0.120143|0.120520|0.500000| |2.803452|3.326667|7.595385|5.639425|8.953327|17.817657|8.905421|5.661501|4.955033|9.497988|6.823842|14.897170|4.411152|0.108412|3.817580|25.913780|3.280794|4.668002|2.969902|2.906613|2.504232|2.249092|2.272701|2.574755|2.497053|3.929142|3.770739|2.512479|2.527700|0.080441|2.358124|3.955585|2.356261|4.564541|3.674075|0.068190|0.077281|0.077441|0.088430|0.088683|0.215393|0.500000| |2.994170|3.928796|7.466398|5.672897|4.981287|5.639177|8.866154|17.710629|9.010985|9.929632|4.822253|7.067458|4.032050|0.121999|3.158399|24.338006|3.923931|6.828700|5.040412|6.189067|5.017052|3.840642|3.506615|3.863966|3.217661|4.835735|4.430101|2.652595|2.491599|0.076762|2.163243|4.068661|4.892707|10.736584|6.727094|0.077141|0.077873|0.077885|0.114609|0.114653|0.108018|0.123902|0.500000| |4.668042|7.396033|12.391840|8.843524|5.640520|4.951922|5.653812|9.009063|17.766940|5.753233|3.292423|5.374982|2.774405|0.079888|2.355901|17.604665|2.706302|4.271576|3.239707|3.763854|3.602541|3.014006|2.721464|2.800155|2.435543|3.862264|3.281628|2.074110|2.027940|0.062104|1.804706|3.411381|3.914700|8.320881|5.947755|0.118001|0.114697|0.114613|0.226415|0.225768|0.124134|0.107638|0.221179|0.500000| |2.328911|2.835167|5.611170|4.062029|4.283689|5.732096|9.283233|7.580214|4.892571|25.984648|9.584252|10.908329|7.766750|0.241722|4.932981|40.658345|6.360185|11.880628|6.363375|6.115091|4.342913|3.578077|3.614664|4.493571|3.974464|5.675706|6.103185|3.518575|3.167906|0.098972|2.723704|4.868786|3.712870|7.257658|5.353327|0.059893|0.062126|0.062511|0.079871|0.080697|0.097915|0.143294|0.229325|0.116642|0.500000| |1.562544|1.759386|3.422355|2.223279|2.436963|2.952219|3.268703|2.804217|2.348842|5.776212|5.506126|8.834916|8.825583|0.215074|17.583894|46.706889|4.543450|5.775649|3.281834|2.932611|2.426852|2.235466|2.373974|2.848425|2.948455|4.553112|4.944740|3.478662|2.975941|0.084731|2.905838|4.387078|2.160171|4.003491|3.401722|0.040802|0.042979|0.042520|0.049451|0.048758|0.062697|0.087509|0.079004|0.059644|0.117580|0.500000| |1.663960|1.869931|3.721270|2.432714|2.775394|3.456332|3.635213|2.955872|2.492672|6.341281|6.852051|12.960768|8.778698|0.173159|17.614770|46.485175|4.186324|5.245425|3.009923|2.704515|2.264428|2.095202|2.222622|2.644294|2.760566|4.312764|4.624270|3.319853|3.040217|0.089779|3.038130|4.428408|2.034079|3.789661|3.212378|0.042958|0.045939|0.045634|0.051908|0.051474|0.072299|0.108524|0.079858|0.061942|0.118619|0.299537|0.500000| |1.732935|1.965795|3.889027|2.562784|2.872620|3.573102|3.910086|3.225885|2.678653|6.926978|7.009846|11.825635|8.872550|0.210776|17.573719|36.675892|3.889797|5.328101|3.093198|2.900902|2.401311|2.159264|2.230818|2.622352|2.614523|4.045884|4.211512|2.875466|2.581387|0.075768|2.494448|3.892799|2.197559|4.188192|3.431240|0.044834|0.048111|0.046832|0.055591|0.053651|0.073530|0.107819|0.088447|0.066736|0.131013|0.300347|0.302769|0.500000| |2.208664|2.677774|4.880979|3.297469|3.108406|3.530623|4.752693|5.548851|4.221915|7.298991|4.166853|5.921330|4.196750|0.141241|3.246476|26.689056|4.908437|9.882598|8.884814|17.775138|9.014257|5.656960|4.948542|5.631406|4.152597|5.947426|5.476256|3.082620|2.704422|0.080221|2.292719|4.434600|7.073242|14.058836|8.714142|0.058849|0.058055|0.058332|0.077870|0.078542|0.073548|0.087363|0.218156|0.116303|0.200898|0.085905|0.079099|0.088286|0.500000| |1.853023|2.124916|3.671572|2.268747|2.105169|2.210067|2.572317|2.891391|2.664806|3.605984|2.330119|3.651868|2.370292|0.071671|2.013372|17.550252|3.190296|4.957391|4.956251|5.676155|8.952599|17.761080|8.909653|5.627830|4.120173|6.840921|4.479665|2.698333|2.477036|0.070489|2.071259|4.511588|6.966479|8.622574|13.724723|0.051218|0.047696|0.050130|0.059893|0.064928|0.052650|0.056582|0.092893|0.078217|0.083862|0.055240|0.052083|0.053664|0.125072|0.500000| |1.671609|1.893941|3.380923|2.106307|2.033736|2.188348|2.515368|2.658006|2.391942|3.666623|2.460122|3.856709|2.580922|0.076407|2.175853|20.767492|3.995038|5.696003|5.638555|4.945642|5.609470|8.909461|17.736636|8.913374|7.068102|12.994531|6.370997|3.767123|3.398585|0.093779|2.689096|6.478895|4.042123|5.933914|6.990977|0.045498|0.043370|0.046020|0.052328|0.057180|0.051373|0.057470|0.082255|0.067085|0.084955|0.060360|0.056886|0.056298|0.107477|0.212260|0.500000| |1.481239|1.656978|3.158159|2.015404|2.141663|2.485933|2.749311|2.498144|2.147784|4.512064|3.639641|5.807188|4.483861|0.117048|3.909519|54.709788|7.359979|6.778285|4.121086|3.186866|2.734822|2.784068|3.330144|4.282941|5.786084|9.216921|12.515715|17.676928|8.804579|0.198488|7.419480|10.252234|2.257308|3.897057|3.644300|0.039073|0.039695|0.041169|0.045400|0.047641|0.055292|0.071168|0.071653|0.055805|0.098152|0.114163|0.107060|0.089380|0.082438|0.067726|0.088876|0.500000| |1.421780|1.583518|2.967143|1.868996|1.939609|2.190775|2.427223|2.294039|2.008847|3.827573|2.914292|4.663938|3.387485|0.093190|2.961559|34.436443|5.832154|6.000080|4.128969|3.183852|2.851435|3.062864|3.857803|4.837592|7.447564|14.066512|12.524899|17.642906|8.873644|0.176718|6.416352|13.492508|2.315878|3.885456|3.809222|0.037845|0.037848|0.039563|0.043376|0.046011|0.050119|0.061365|0.066791|0.053202|0.084715|0.085944|0.080007|0.071184|0.079339|0.074931|0.108249|0.304095|0.500000| |1.323313|1.448042|2.747041|1.705936|1.812048|2.029027|2.137423|1.969695|1.768658|3.275470|2.595710|4.426410|2.881662|0.074699|2.696105|28.231559|3.776135|4.124028|2.761023|2.299336|2.093941|2.189329|2.567816|2.986503|3.829724|7.168985|6.205260|6.968125|8.835423|0.173853|17.538368|12.780416|1.794173|3.082652|2.982377|0.035026|0.035477|0.037249|0.039225|0.041659|0.048014|0.058557|0.055291|0.046354|0.068625|0.076866|0.077744|0.064960|0.059817|0.055424|0.072284|0.195185|0.188458|0.500000| |1.410713|1.539697|2.944560|1.824375|1.955945|2.179359|2.249003|2.056043|1.864689|3.371135|2.656607|4.627075|2.800957|0.071344|2.583079|26.696593|3.542880|3.957964|2.661254|2.245498|2.054450|2.138979|2.480193|2.851541|3.548175|6.567534|5.602684|5.514027|8.892909|0.211747|17.581677|13.360972|1.774734|3.064593|2.948260|0.037142|0.037707|0.040080|0.041242|0.044403|0.052225|0.063316|0.056743|0.048536|0.069295|0.071063|0.075844|0.062916|0.058668|0.054370|0.069609|0.146057|0.136648|0.301598|0.500000| |1.441669|1.587049|3.061573|1.924951|2.091466|2.394403|2.497443|2.228593|1.977228|3.892567|3.206907|5.565850|3.543230|0.087534|3.307037|36.851046|4.327313|4.604630|2.929173|2.433568|2.162131|2.198912|2.535107|3.020540|3.749708|6.501572|6.523406|6.775610|8.790269|0.215734|17.550696|10.260368|1.858581|3.246188|3.044503|0.037800|0.038769|0.040627|0.042844|0.045391|0.055433|0.070622|0.061574|0.050944|0.079742|0.091777|0.098920|0.077632|0.064404|0.055115|0.069235|0.214173|0.152753|0.299452|0.300303|0.500000| 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