Version2.1 2020-12-30T05:57:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc([nH+]1)N[C@@H](c2cccc(c2)F)c3c4c(sc3NC(=O)c5ccco5)CCCC4 C38551079 RHF 6-31G(d) (6D,7F) Cc1cccc([nH+]1)N[C@@H](c2cccc(c2)F)c3c4c(sc3NC(=O)c5ccco5)CCCC4 C01[X(C26H25F1N3O2S1)] 168 C1 549 Fc1cccc(c1)[C@@H](c1c(sc2c1CCCC2)NC(=O)c1ccco1)Nc1cccc([nH+]1)C Fc1cccc(c1)[C@@H](c1c(sc2c1CCCC2)NC(=O)c1ccco1)Nc1cccc([nH+]1)C Cc1cccc(N[C@@H](c2cccc(F)c2)c3c(NC(=O)c4occc4)sc5CCCCc35)[nH+]1 InChIKey=DIPVYTGJDKDZPM-DEOSSOPVSA-O InChI=1S/C26H24FN3O2S/c1-16-7-4-13-22(28-16)29-24(17-8-5-9-18(27)15-17)23-19-10-2-3-12-21(19)33-26(23)30-25(31)20-11-6-14-32-20/h4-9,11,13-15,24H,2-3,10,12H2,1H3,(H,28,29)(H,30,31)/p+1/t24-/m0/s1 InChI=1/C26H24FN3O2S/c1-16-7-4-13-22(28-16)29-24(17-8-5-9-18(27)15-17)23-19-10-2-3-12-21(19)33-26(23)30-25(31)20-11-6-14-32-20/h4-9,11,13-15,24H,2-3,10,12H2,1H3,(H,28,29)(H,30,31)/p+1/t24-/m0/s1/fC26H25FN3O2S/h28-30H/q+1 Cc1cccc([nH+]1)N[C@@H](c2cccc(c2)F)c3c4c(sc3NC(=O)c5ccco5)CCCC4 C01[X(C26H25F1N3O2S1)] 168 C01 549 Fc1cccc(c1)[C@@H](c1c(sc2c1CCCC2)NC(=O)c1ccco1)Nc1cccc([nH+]1)C O=C(C1=[CH][CH]=CO1)NC1=[C]([C]2=C(S1)CCCC2)[C@H]([C]1[CH][CH][CH][C]([CH]1)F)[NH][C]1[CH][CH][CH]=C(N1)C CC1=C[CH][CH][C](N[C@@H]([C]2[CH][CH][CH][C](F)[CH]2)c3c(NC(=O)c4occc4)sc5CCCCc35)N1 InChIKey=NLXCORXMZZGINU-DEOSSOPVSA-N InChI=1S/C26H25FN3O2S/c1-16-7-4-13-22(28-16)29-24(17-8-5-9-18(27)15-17)23-19-10-2-3-12-21(19)33-26(23)30-25(31)20-11-6-14-32-20/h4-9,11,13-15,24,28-29H,2-3,10,12H2,1H3,(H,30,31)/t24-/m0/s1 InChI=1/C26H25FN3O2S/c1-16-7-4-13-22(28-16)29-24(17-8-5-9-18(27)15-17)23-19-10-2-3-12-21(19)33-26(23)30-25(31)20-11-6-14-32-20/h4-9,11,13-15,24,28-29H,2-3,10,12H2,1H3,(H,30,31)/t24-/m0/s1/f/h30H 3595.0717714359 -1808.9857955 1-A 14876.0347 121 428 549 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118.5553 123.7904 129.4714 162.9364 164.8824 173.8413 177.7707 207.9164 222.0642 227.2241 236.8968 243.1517 267.4719 290.1799 314.2890 318.6860 328.0349 353.8907 402.4765 422.0459 430.1814 459.3099 466.7540 493.0163 502.7907 513.8203 529.0463 566.6667 570.7813 585.4226 592.7656 609.4406 621.0953 640.2015 646.3514 649.7468 660.3913 671.5027 680.6059 696.5420 746.2069 749.6010 765.2604 784.2270 797.8503 815.9766 840.1360 847.1653 867.1177 880.5967 884.5539 885.6128 896.3982 913.5716 914.5675 950.9406 969.7952 970.2042 995.1915 1001.0111 1003.1608 1004.8330 1019.0711 1025.5433 1037.0359 1040.7928 1043.7009 1050.7365 1074.1398 1092.4835 1105.1696 1113.0294 1115.9741 1117.2132 1127.5243 1153.3013 1162.6792 1177.9294 1182.8950 1187.7375 1198.6682 1208.9186 1215.4950 1227.7064 1231.8111 1247.9247 1266.6115 1278.0336 1291.7538 1302.9698 1314.0039 1322.1907 1324.3618 1358.2738 1382.9181 1387.3436 1392.6412 1397.9601 1408.9849 1424.9028 1432.8726 1440.7447 1491.9237 1492.1529 1508.8912 1516.6585 1523.2866 1535.3899 1537.2054 1553.8601 1563.7222 1568.7162 1579.1044 1615.2315 1620.6670 1626.6265 1631.5164 1635.4305 1638.8229 1650.0481 1652.6833 1664.6611 1697.1533 1706.7833 1728.6793 1796.5639 1799.4794 1806.5630 1814.8033 1825.1457 1828.9427 1845.1410 1880.9848 3182.3743 3203.9112 3207.2190 3209.9756 3217.7489 3224.7938 3250.8431 3258.6498 3264.6618 3279.2190 3288.0464 3333.4541 3365.2016 3390.4522 3398.2996 3408.6212 3410.8189 3427.3563 3441.8433 3454.3865 3468.5394 3490.5272 3660.7374 3785.6596 3837.8895 5.9096 6.8777 5.6631 6.4558 4.6167 4.5701 4.5491 4.6689 5.0313 4.4724 4.1973 1.8927 1.5943 4.7119 5.6638 4.8869 5.2819 6.0101 5.2213 3.1039 5.1244 5.6289 5.3812 3.9698 3.2498 3.0502 3.5302 3.9024 3.6626 6.3704 5.6746 2.9536 4.9793 3.6145 3.4271 5.3647 5.2027 7.9206 5.2638 5.4156 5.4502 3.1572 3.3503 1.4265 3.1486 2.5972 5.5912 5.1126 5.4042 5.4755 2.2956 1.5465 4.3180 3.7700 1.9972 3.9416 4.8572 4.3406 3.0979 1.5240 1.2417 1.5864 1.6242 1.9654 1.9402 4.4444 1.3422 6.2002 1.7410 2.1510 1.4658 1.7903 1.5021 3.1878 2.1989 4.3281 1.4410 3.2745 4.9554 6.1455 1.5079 3.0347 1.8041 1.5890 3.2603 1.3691 1.9656 1.5442 1.7459 1.7261 2.5990 3.3360 2.0068 2.9789 2.7914 2.4937 1.1729 1.8289 1.9061 2.2308 1.5546 1.3565 1.5761 3.6812 1.8718 1.5307 1.8223 1.8893 2.7900 1.3873 2.9869 1.4541 1.5353 1.4693 1.4151 1.4717 1.4116 1.5278 2.1928 2.6703 2.3024 1.5487 1.6198 2.9997 1.0412 1.1242 1.1395 1.0826 1.1013 3.8968 1.1099 2.4883 7.4203 2.0161 4.3327 7.6796 5.9003 6.0008 5.3559 1.7095 3.0177 3.2541 7.3278 1.0664 1.0744 1.0694 1.0654 1.0395 1.0889 1.0978 1.0981 1.1039 1.1033 1.0854 1.1013 1.0902 1.0936 1.0927 1.0922 1.0968 1.0957 1.0958 1.0939 1.1001 1.1070 1.0831 1.0803 1.0779 0.0004 0.0021 0.0029 0.0036 0.0047 0.0063 0.0071 0.0097 0.0115 0.0321 0.0348 0.0171 0.0157 0.0737 0.0907 0.0870 0.0983 0.1531 0.1517 0.0944 0.1694 0.1961 0.2268 0.1969 0.1891 0.1825 0.2238 0.2880 0.3496 0.6686 0.6187 0.3671 0.6391 0.5176 0.5105 0.8345 0.8580 1.4985 1.0104 1.0936 1.1283 0.6909 0.7615 0.3445 0.7750 0.6460 1.4367 1.3583 1.4749 1.5652 0.7531 0.5120 1.4899 1.3661 0.7490 1.5462 2.0199 1.8354 1.3724 0.6963 0.5724 0.7331 0.7690 0.9665 0.9561 2.3679 0.7438 3.4386 1.0159 1.2699 0.8691 1.0650 0.9191 1.9754 1.3933 2.7623 0.9248 2.1300 3.3686 4.3215 1.0851 2.2150 1.3238 1.1685 2.4421 1.0730 1.5655 1.2624 1.4393 1.4347 2.2002 2.8726 1.7469 2.6454 2.4955 2.2881 1.1087 1.7601 1.8739 2.2314 1.5814 1.3972 1.6287 4.0014 2.1091 1.7358 2.0824 2.1754 3.2633 1.6595 3.6131 1.7784 2.0134 1.9275 1.8983 1.9945 1.9299 2.1221 3.0529 3.7986 3.3171 2.2455 2.3798 4.6110 1.6112 1.7526 1.7872 1.7061 1.7427 6.2510 1.7862 4.0627 12.5925 3.4603 7.6285 14.6041 11.2569 11.5389 10.3930 3.3552 5.9474 6.5275 15.2755 6.3631 6.4980 6.4809 6.4677 6.3411 6.6720 6.8351 6.8699 6.9320 6.9901 6.9137 7.2104 7.2741 7.4070 7.4349 7.4765 7.5178 7.5834 7.6483 7.6906 7.7981 7.9468 8.5517 9.1218 9.3541 0.6657 1.2603 0.4741 1.4815 0.0949 1.4578 0.3167 0.5520 0.7597 1.3324 5.5896 1.2377 0.0516 0.6142 4.9630 2.0107 1.8320 2.5363 11.3907 3.0335 0.4918 1.6651 0.2943 2.9792 0.8927 4.4933 4.3639 4.2409 1.0427 4.9175 0.7188 9.6274 1.3613 1.0026 1.7962 1.0785 3.2730 5.2962 0.1169 9.0261 4.8618 10.8494 2.3227 113.5897 6.7897 0.6080 2.5279 2.8399 8.1478 9.4996 10.7741 4.1263 10.0265 37.4747 43.1078 17.2457 4.3310 41.1193 12.9503 156.1473 43.5155 144.9190 42.6872 7.3215 0.8056 22.8219 0.7750 23.1353 16.7995 10.4023 4.1819 3.2560 17.7277 35.9864 2.8764 14.2321 0.7410 7.0874 8.5223 1.7991 46.0971 16.3433 16.4543 5.3625 8.6385 2.4944 1.2015 6.2110 13.9869 10.5923 34.9549 34.1389 5.4622 5.9183 25.7047 24.8676 2.1311 164.1736 57.3446 21.8392 7.2150 2.9554 7.9245 25.4573 12.2193 26.2373 59.6862 31.9161 46.4708 13.3853 333.1213 20.4972 31.2025 65.4855 1.6904 1.0038 89.0283 4.3361 36.3779 29.8669 17.8511 3.6516 2.3893 39.3549 11.4665 5.0068 38.2167 3.3861 3.6275 142.5143 0.2697 42.3019 46.4645 415.1577 141.7939 49.4425 64.7027 88.9323 175.1333 84.9040 1270.5840 239.7528 290.8833 36.4315 19.8613 21.4790 19.3490 5.2698 56.0798 21.9862 64.1130 51.6353 5.4656 10.3004 4.0342 7.5514 9.6436 2.7417 4.4762 1.8762 0.4583 0.8402 1.0071 0.2206 0.0132 603.4909 146.6275 72.9578 2.9201 2.7543 2.5578 4.0999 3.7595 1.8461 4.4878 3.6310 2.6068 0.1656 2.0231 0.4678 0.2313 2.6452 1.6519 1.6306 0.6935 1.5843 1.9042 3.3195 2.8655 1.6898 2.5439 2.4342 2.0220 0.7628 1.1078 2.9159 0.6189 0.7660 1.6822 0.5297 0.7980 2.4142 0.1746 0.9889 0.4393 2.9824 4.0590 4.6875 2.6937 5.9958 2.6519 1.6699 1.3445 0.6333 2.1265 6.5381 5.7425 2.0779 2.5604 2.6842 0.8982 6.5696 4.5700 3.0275 20.0347 3.2939 6.4104 3.1368 0.4984 0.7978 0.7005 8.9004 3.5412 3.1250 1.1216 10.2859 2.3882 1.9957 3.5970 0.9408 1.3032 7.0731 6.9409 15.3797 4.5554 0.2857 4.7766 26.2860 23.3943 5.6735 5.1151 1.6409 5.5403 2.2229 5.4052 0.3147 6.2907 5.8847 6.2752 13.5376 7.2634 1.6711 4.0348 9.9654 2.8190 15.2018 18.4971 12.3044 1.9024 4.8091 10.6875 2.7636 8.5551 17.1977 24.1947 21.3441 14.4350 20.3449 22.1961 1.9383 14.5575 3.4116 2.5041 8.0165 3.1739 0.7818 6.8499 67.2390 24.0501 22.8618 18.0449 1.6068 18.9179 30.4594 8.8091 7.9964 19.2749 320.1200 4.7834 2.3849 142.4416 47.2265 20.3552 40.7782 11.1124 93.4329 28.4762 17.6263 31.4327 10.4534 132.1586 71.7861 84.8006 165.9491 24.6812 153.3610 69.3489 102.4391 182.4003 141.2853 73.3059 46.5532 76.8792 53.7332 88.9162 87.3838 42.2359 183.5611 133.7048 69.4959 101.1640 46.4789 131.9178 142.8366 34.5687 36.6358 0.7499 0.7075 0.7484 0.7479 0.7426 0.7490 0.7493 0.7486 0.7490 0.5814 0.6434 0.4582 0.6865 0.7200 0.6001 0.4879 0.6558 0.5541 0.6805 0.7379 0.3012 0.5782 0.7302 0.2652 0.2657 0.7500 0.5829 0.2032 0.4391 0.5764 0.7030 0.7398 0.7152 0.7204 0.3874 0.5084 0.5759 0.4030 0.5627 0.5187 0.6591 0.4067 0.3565 0.6604 0.7457 0.6890 0.1817 0.4813 0.2197 0.7438 0.4219 0.6073 0.7393 0.4218 0.0686 0.1187 0.0960 0.4246 0.2181 0.7018 0.7280 0.7319 0.7484 0.0879 0.1207 0.2237 0.7496 0.6277 0.3352 0.5469 0.6502 0.6060 0.5332 0.3088 0.7314 0.1055 0.7500 0.3862 0.1509 0.1055 0.4609 0.4813 0.1550 0.4248 0.7318 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0.8426 0.8452 0.8561 0.1616 0.2154 0.3656 0.8569 0.7713 0.5021 0.7071 0.7880 0.7547 0.6955 0.4719 0.8448 0.1908 0.8571 0.5573 0.2622 0.1908 0.6310 0.6498 0.2683 0.5963 0.8451 0.8534 0.7464 0.8416 0.2376 0.6582 0.4531 0.8566 0.3786 0.8104 0.8165 0.7830 0.8353 0.5249 0.3868 0.1377 0.6118 0.7128 0.4984 0.8563 0.7480 0.4620 0.2946 0.7203 0.2855 0.8536 0.2437 0.2697 0.6963 0.7350 0.7146 0.4817 0.6583 0.1917 0.8291 0.6102 0.5289 0.6797 0.7237 0.6507 0.8546 0.7370 0.8293 0.7963 0.8564 0.4280 0.5493 0.8429 0.3943 0.5113 0.7905 0.5128 0.7582 0.4933 0.8267 0.7833 0.7717 0.2419 0.3982 0.3288 0.5835 0.2588 0.6926 0.0757 0.4210 0.6441 0.4494 0.6718 0.8533 0.1704 0.7763 0.6734 0.5628 0.6910 0.4434 0.3368 0.4247 0.2265 0.7760 0.3562 0.2764 0.3037 0.4344 0.2746 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 58 6 6 6 6 6 6 7 1 7 6 1 6 6 6 6 6 6 9 6 6 6 16 6 7 6 8 6 6 6 6 8 6 6 6 6 1 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 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 14883.5837 17429.6312 21251.5895 0.99965 0.00330 -0.02614 -0.00278 0.99980 0.01994 0.02620 -0.01986 0.99946 1 0.00582 0.00497 0.00408 0.12126 0.10354 0.08492 14.76 32.98 42.28 44.30 59.80 69.84 74.07 85.51 89.62 158.74 170.57 178.11 186.28 234.43 237.23 250.12 255.77 299.15 319.50 326.92 340.84 349.84 384.83 417.50 452.19 458.52 471.97 509.17 579.07 607.23 618.94 660.84 671.55 709.34 723.40 739.27 761.18 815.31 821.23 842.29 852.86 876.85 893.62 921.11 929.96 934.84 950.16 966.14 979.24 1002.17 1073.63 1078.51 1101.04 1128.33 1147.93 1174.01 1208.77 1218.88 1247.59 1266.98 1272.68 1274.20 1289.72 1314.43 1315.86 1368.19 1395.32 1395.91 1431.86 1440.23 1443.32 1445.73 1466.22 1475.53 1492.06 1497.47 1501.65 1511.78 1545.45 1571.84 1590.09 1601.40 1605.64 1607.42 1622.26 1659.34 1672.84 1694.78 1701.92 1708.89 1724.62 1739.36 1748.83 1766.40 1772.30 1795.49 1822.37 1838.81 1858.55 1874.68 1890.56 1902.34 1905.46 1954.25 1989.71 1996.08 2003.70 2011.35 2027.21 2050.12 2061.58 2072.91 2146.55 2146.88 2170.96 2182.13 2191.67 2209.08 2211.70 2235.66 2249.85 2257.03 2271.98 2323.96 2331.78 2340.35 2347.39 2353.02 2357.90 2374.05 2377.84 2395.08 2441.83 2455.68 2487.18 2584.85 2589.05 2599.24 2611.10 2625.98 2631.44 2654.75 2706.32 4578.73 4609.71 4614.47 4618.44 4629.62 4639.76 4677.24 4688.47 4697.12 4718.06 4730.77 4796.10 4841.77 4878.10 4889.40 4904.25 4907.41 4931.20 4952.04 4970.09 4990.45 5022.09 5266.98 5446.72 5521.87 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|2.807123|3.441875|3.347486|3.988072|5.449846|5.849990|5.849057|0.112665|10.343776|12.457942|0.249932|36.858105| |2.358981|2.819855|2.824684|3.368585|4.315754|4.269127|4.534136|0.087534|6.887443|7.596108|0.198605|13.688545|36.858105| |2.135070|2.499925|2.529623|2.961871|3.580852|3.475498|3.885345|0.075410|5.288932|5.023162|0.132317|7.908772|13.769479|36.858105| |2.196704|2.550490|2.566484|2.947113|3.475832|3.415925|3.926620|0.076561|5.061909|4.404902|0.111685|6.812262|7.913526|13.739312|36.858105| |2.545522|2.986391|2.943704|3.344119|4.008782|4.096097|4.699762|0.091852|6.083169|4.999075|0.119669|7.987041|6.960492|8.050721|13.853845|36.858105| |2.959025|3.589182|3.444313|3.965869|5.126592|5.615444|6.020273|0.117115|8.975649|7.451330|0.160931|13.751580|7.953064|6.880306|7.881091|13.795732|36.858105| |2.530927|2.889943|2.829960|3.094145|3.517229|3.620169|4.412859|0.087311|5.149807|3.904480|0.095218|5.314111|4.688158|5.320048|8.170669|14.359471|8.202567|97.533100| |2.736150|3.215641|2.967813|3.311645|4.301756|5.205841|5.622443|0.116835|10.792227|12.505594|0.250973|7.444449|5.946156|4.256271|3.714196|4.031194|5.345906|7.409159|36.858105| |2.433880|2.806734|2.644350|2.939112|3.661014|4.144700|4.675055|0.096195|7.429942|7.306712|0.201638|5.131796|4.776455|3.597122|3.077576|3.181561|3.895119|6.013797|13.129967|36.858105| |2.197909|2.450772|2.287522|2.469604|2.954093|3.346437|3.994073|0.084336|5.749834|5.060277|0.134087|4.008209|3.816920|3.076633|2.701095|2.776644|3.273795|5.396545|8.172632|14.125761|36.858105| |2.220316|2.427266|2.216249|2.340875|2.773861|3.242848|3.990695|0.087096|5.657869|4.701698|0.114032|3.975971|3.639518|3.040067|2.779153|2.929799|3.446542|5.792104|7.427206|7.451721|11.030568|388.023441| |2.609488|2.949846|2.664244|2.861592|3.545301|4.346185|5.090897|0.111026|8.458949|7.454511|0.156594|5.949695|4.871062|3.834392|3.521524|3.888141|4.966637|7.404454|14.113956|8.202714|7.692070|78.183359|36.858105| |2.684383|2.982568|2.653123|2.791494|3.389316|4.201878|5.132356|0.114764|7.807858|6.065888|0.127073|5.709535|4.508062|3.798612|3.741038|4.362593|5.546211|8.582578|7.621306|5.142708|4.953001|50.095693|13.494656|53.358707| |3.074704|3.332882|2.851352|2.892491|3.433573|4.435751|5.821979|0.138263|7.858233|5.163968|0.111832|4.774514|3.717610|3.237326|3.320743|4.017041|5.078340|8.420482|5.675804|4.147470|3.985229|37.306990|7.764774|19.159060|36.858105| |3.689209|3.983823|3.254329|3.217366|3.813271|5.253469|7.320282|0.189674|9.250222|5.272781|0.116421|4.471841|3.448189|2.959380|3.001552|3.611972|4.641979|7.611181|5.544416|4.164065|3.907336|33.878617|6.672348|11.448556|15.686773|73.516695| |2.800073|2.928477|2.539230|2.535119|2.893951|3.541348|4.817788|0.112173|5.701968|3.849238|0.087904|3.868585|3.178297|2.936116|3.139540|3.799824|4.387850|8.545066|4.039664|3.189236|3.137647|28.670293|5.116821|10.882516|13.004302|14.508721|36.858105| |2.878177|2.887755|2.479266|2.405538|2.656808|3.203176|4.580119|0.107679|4.852397|3.179478|0.075187|3.182268|2.670551|2.515254|2.720185|3.264373|3.640193|7.682707|3.233199|2.665145|2.624702|22.897553|3.836163|7.038792|7.454563|11.409337|14.165547|36.858105| |2.418423|2.423882|2.144567|2.099641|2.289643|2.653278|3.722845|0.084320|3.955598|2.705416|0.065238|2.800208|2.438859|2.369846|2.599566|3.047164|3.208534|7.382262|2.755055|2.329070|2.318978|20.061266|3.228059|5.725658|5.197074|7.854419|8.595304|13.314160|36.858105| |2.216937|2.278829|2.050739|2.053304|2.273207|2.607653|3.534298|0.078658|3.980083|2.835189|0.067872|3.011649|2.662219|2.615857|2.877356|3.330687|3.437378|7.952371|2.939410|2.468840|2.475800|21.886216|3.525443|6.454194|5.374730|7.533232|8.811967|8.615648|14.174703|36.858105| |2.367923|2.490975|2.229866|2.264557|2.572437|3.013608|3.985915|0.089180|4.800147|3.470357|0.080618|3.680021|3.170861|3.033682|3.284336|3.860806|4.166087|8.757653|3.688888|2.982768|2.982603|27.468044|4.671629|9.615953|7.854760|9.591894|14.089022|8.603463|8.616232|14.243848|73.516695| |1.936982|2.123374|2.007822|2.149437|2.491189|2.731005|3.346329|0.070169|4.413878|3.710575|0.103255|3.103758|3.066820|2.579915|2.278821|2.300934|2.619295|4.560527|5.030684|7.490641|12.644295|47.794197|4.813132|4.902251|3.074889|5.425396|2.556434|2.212402|1.995457|2.114299|4.381447|36.858105| |1.943846|2.147458|2.063180|2.227721|2.561973|2.734631|3.334634|0.068590|4.277441|3.559205|0.104982|2.937547|2.928153|2.457727|2.158202|2.168664|2.464657|4.301342|4.432861|6.651495|7.654806|32.908614|3.913876|4.136712|2.685596|4.872423|2.252773|1.988951|1.793491|1.873997|3.822606|12.437961|36.858105| |2.003658|2.267409|2.223187|2.472794|2.895419|2.995537|3.525498|0.070782|4.671216|4.108053|0.128920|3.378354|3.479387|2.843882|2.422108|2.396258|2.731177|4.660276|4.881010|7.558786|6.759177|29.875896|3.963740|4.181534|2.681411|4.841394|2.244168|1.972949|1.781783|1.869121|3.823493|7.563237|12.461974|36.858105| |2.346812|2.735955|2.667836|3.035933|3.735859|3.929989|4.401475|0.087356|6.408274|6.045886|0.203510|4.469876|4.418473|3.380640|2.847900|2.874535|3.420362|5.466562|7.222788|12.582199|7.616337|33.734927|5.052373|5.087775|3.223422|5.896864|2.603267|2.254908|1.999223|2.092644|4.354091|6.293982|7.518076|12.419987|36.858105| |17.555909|8.909262|5.888986|4.321132|4.019851|4.735104|9.497049|0.203877|5.370743|3.041646|0.081424|2.667960|2.257767|2.027191|2.058576|2.356291|2.746875|5.212441|2.752113|2.488629|2.270548|16.263330|2.638016|3.640032|3.067996|6.674290|2.757996|2.827654|2.361955|2.165182|4.126519|2.013517|2.025884|2.057947|2.395675|0.500000| |17.554925|8.909705|5.887310|4.324976|4.023673|4.733560|9.502733|0.204882|5.359589|3.040001|0.079186|2.802528|2.341515|2.142887|2.241525|2.635318|3.042355|6.024527|2.693064|2.358698|2.153123|15.843387|2.633190|3.798637|3.285789|6.994860|3.075486|3.257444|2.706809|2.428686|4.559618|1.887606|1.864923|1.911843|2.229968|0.300838|0.500000| |17.638373|8.939393|7.162474|4.687527|3.949118|4.206935|7.766132|0.147463|4.621081|2.726263|0.074009|2.503845|2.152491|1.974860|2.034233|2.323271|2.633609|5.238346|2.403412|2.175293|1.974931|14.073419|2.287026|3.186858|2.628630|5.431374|2.439526|2.517949|2.171643|1.999655|3.750157|1.766299|1.786332|1.846401|2.131324|0.301156|0.301209|0.500000| |6.851871|9.035835|17.782600|8.779891|5.614441|4.937315|7.815389|0.128040|5.013899|3.050746|0.086484|2.843463|2.471165|2.259549|2.302596|2.597115|2.937243|5.715520|2.545255|2.312860|2.034534|14.035456|2.318144|3.153093|2.482880|4.964026|2.261229|2.239942|1.968805|1.875773|3.572663|1.816115|1.872819|2.005940|2.351058|0.150136|0.150046|0.214810|0.500000| |4.071634|5.693727|8.853930|17.730165|9.059319|5.668014|6.900303|0.111176|5.731787|3.762795|0.113712|3.588636|3.183437|2.865308|2.835982|3.119044|3.540938|6.515882|2.940816|2.675688|2.266469|15.144841|2.550091|3.372931|2.526113|4.881318|2.252581|2.143257|1.906409|1.876957|3.647600|2.005894|2.098080|2.350466|2.826173|0.099581|0.099718|0.111221|0.212863|0.500000| |3.562769|4.943453|5.594902|8.958115|17.802841|8.840053|7.782489|0.127511|9.524233|6.896187|0.229731|6.294059|5.194553|4.175419|3.885940|4.312127|5.443915|8.137417|4.519552|3.892514|3.069236|20.034713|3.599915|4.580341|3.265181|6.204793|2.760299|2.494402|2.186743|2.212213|4.474194|2.586284|2.677987|3.128282|4.099093|0.091437|0.091648|0.089963|0.123438|0.216622|0.500000| |4.114724|5.040391|4.150603|4.351273|5.750765|9.552206|10.747105|0.249347|25.780294|9.080529|0.184385|6.164663|4.345388|3.475061|3.395159|4.093567|5.788140|8.090986|7.746090|5.295466|4.365934|32.752481|7.073543|9.355056|7.625513|18.452622|5.014207|4.178151|3.263020|3.243009|7.086189|3.311538|3.112446|3.255879|4.299282|0.114012|0.114022|0.093756|0.093872|0.098965|0.142525|0.500000| |2.227551|2.645447|2.663293|3.173765|4.018276|3.933454|4.215046|0.081536|6.325473|7.089300|0.209600|8.887168|17.710411|8.945448|5.642593|4.996785|5.648250|8.340564|6.121010|5.445910|4.221168|26.716375|4.757673|5.587151|3.371672|5.660287|2.860859|2.425374|2.217515|2.407566|5.056959|3.422629|3.325281|4.148586|5.323309|0.059992|0.060715|0.056731|0.065176|0.084253|0.135508|0.111630|0.500000| |1.919373|2.218153|2.261890|2.627908|3.089762|2.963273|3.383933|0.065877|4.432584|4.106161|0.112590|5.636602|8.936400|17.730950|8.935068|5.698426|4.956872|9.617350|3.668086|3.280318|2.866879|19.813568|3.333532|4.417433|2.786785|4.562673|2.562629|2.227423|2.127429|2.347232|4.752713|2.475554|2.376522|2.765416|3.170611|0.050921|0.053295|0.049793|0.056923|0.071875|0.099597|0.082035|0.216339|0.500000| |2.005247|2.287134|2.314051|2.614418|2.976880|2.904662|3.441200|0.067425|4.207489|3.529118|0.091376|4.923189|5.618575|8.830087|17.749176|8.961242|5.634177|16.670907|3.087342|2.642216|2.373353|17.429493|2.985604|4.339786|2.890201|4.662100|2.821040|2.501455|2.451020|2.715251|5.337817|2.047378|1.943910|2.160156|2.474961|0.052190|0.057049|0.052148|0.058645|0.070918|0.090928|0.079818|0.123759|0.212851|0.500000| |3.419514|4.160683|3.822007|4.221892|5.372973|6.454949|7.230016|0.143347|10.050456|6.783463|0.145291|8.824501|5.627479|4.960459|5.655003|9.010270|17.761544|16.954743|5.035141|3.671968|3.141971|24.065487|4.878152|7.855433|5.920760|9.929240|5.099537|4.278056|3.612952|3.737082|8.035577|2.522393|2.372214|2.570566|3.200785|0.087012|0.099894|0.082729|0.089201|0.101087|0.145094|0.189796|0.123489|0.107669|0.124921|0.500000| |2.398705|2.636222|2.388954|2.519079|3.001555|3.558580|4.382529|0.096160|6.222896|5.014730|0.110149|5.215907|4.411120|3.905086|3.904597|4.444905|5.234198|8.832729|6.020675|4.443883|4.418992|44.628227|9.230712|25.980594|9.476070|10.848667|7.719324|5.001588|4.381399|5.342778|15.116269|3.350095|2.809102|2.845422|3.349158|0.065938|0.069586|0.059013|0.058735|0.063171|0.084046|0.142704|0.110594|0.093508|0.093665|0.144784|0.500000| |3.247933|3.152656|2.640414|2.497647|2.716477|3.313017|4.955308|0.119952|4.875892|3.074728|0.073637|2.993727|2.502552|2.337072|2.506044|2.997095|3.384302|7.038317|3.080425|2.572970|2.517196|21.369862|3.542415|6.117232|6.473327|11.637014|8.837540|17.816128|8.458235|5.858757|10.439642|2.141042|1.951846|1.930270|2.208373|0.089227|0.104754|0.077937|0.066382|0.061306|0.069510|0.117706|0.063675|0.057711|0.064044|0.112013|0.115916|0.500000| |2.288643|2.254148|2.007534|1.947608|2.087756|2.380676|3.379222|0.075893|3.468537|2.370175|0.058157|2.449294|2.166127|2.125493|2.332928|2.694061|2.786834|6.614426|2.393338|2.064543|2.057862|17.410071|2.737514|4.636240|4.070839|6.492384|5.852301|8.470117|17.814814|8.815309|10.448524|1.801602|1.635180|1.622605|1.802805|0.062022|0.071467|0.057810|0.051825|0.049479|0.055299|0.078296|0.055090|0.053578|0.061996|0.086342|0.097779|0.193043|0.500000| |1.983639|2.043616|1.868469|1.884212|2.074637|2.330184|3.126854|0.068479|3.527792|2.572439|0.062480|2.773711|2.526557|2.537124|2.798424|3.142504|3.129489|7.537358|2.671566|2.287635|2.308515|20.153915|3.155575|5.525458|4.287641|6.187012|6.046639|5.824170|8.610014|17.835828|16.545717|2.000387|1.773733|1.772369|1.959437|0.053777|0.059788|0.050285|0.047828|0.048380|0.056710|0.078185|0.063768|0.064143|0.074868|0.091547|0.130419|0.123184|0.195279|0.500000| |1.773932|1.939454|1.850361|1.987520|2.288634|2.468994|3.024724|0.063093|3.946885|3.367013|0.093537|2.952326|3.013390|2.585193|2.267192|2.247783|2.505348|4.454951|4.420967|6.067640|8.945221|42.351748|4.329406|4.574979|2.836588|4.887722|2.417698|2.093605|1.920994|2.059683|4.244379|17.524853|8.813822|6.615196|5.309923|0.050788|0.048288|0.045241|0.046780|0.052020|0.066640|0.081573|0.094155|0.070088|0.057031|0.066182|0.089819|0.055750|0.048313|0.054825|0.500000| |1.898519|2.045993|1.915882|2.016077|2.302778|2.549501|3.203778|0.068098|4.069727|3.273207|0.089573|2.765643|2.685357|2.304130|2.079779|2.121875|2.403097|4.275294|4.316545|5.733005|8.902776|45.673619|4.379473|4.651580|3.003352|5.342179|2.525836|2.209796|1.993135|2.096167|4.305918|17.559319|8.802040|5.514019|4.850995|0.055322|0.051571|0.048091|0.048402|0.052129|0.065298|0.086776|0.081063|0.061285|0.052344|0.065373|0.088357|0.059713|0.050169|0.054998|0.303749|0.500000| |1.761090|1.924463|1.862164|1.998900|2.256872|2.374273|2.936008|0.060300|3.631447|2.977369|0.087567|2.547653|2.577294|2.218862|1.960346|1.952683|2.178203|3.911471|3.565233|4.879400|5.572995|27.325889|3.249254|3.574335|2.348837|4.236668|2.016777|1.801456|1.643985|1.716922|3.456675|8.850840|17.567256|8.820011|5.483884|0.050936|0.047008|0.045373|0.047478|0.052854|0.065474|0.073458|0.080808|0.060435|0.049641|0.058249|0.068628|0.049126|0.041949|0.045499|0.219356|0.206975|0.500000| |2.073247|2.280218|2.173106|2.320146|2.650229|2.860776|3.538726|0.073117|4.425290|3.528196|0.104109|2.843754|2.755092|2.314853|2.064984|2.107513|2.417573|4.216295|4.299177|6.138919|6.691909|31.085824|3.798293|4.064723|2.713700|5.055472|2.262406|2.016887|1.800392|1.856975|3.772292|8.846554|17.526152|8.848593|6.908970|0.060783|0.054808|0.052764|0.054743|0.060247|0.075568|0.090227|0.085059|0.061536|0.051674|0.065721|0.075404|0.055643|0.045699|0.048460|0.173990|0.219181|0.303176|0.500000| |1.855693|2.092453|2.063034|2.301455|2.684660|2.748635|3.234753|0.064942|4.285001|3.856362|0.118750|3.348266|3.606130|2.988551|2.500450|2.419043|2.703103|4.680120|4.559842|6.596862|6.204860|28.977121|3.811365|4.081474|2.573295|4.538713|2.186367|1.914789|1.751004|1.857565|3.796274|6.972576|8.871125|17.525154|8.851902|0.052474|0.049614|0.047717|0.051974|0.061322|0.081548|0.082984|0.122570|0.082459|0.062229|0.069526|0.079007|0.051532|0.044307|0.049384|0.198238|0.140503|0.211401|0.173779|0.500000| |1.950350|2.205302|2.194593|2.446771|2.809959|2.830826|3.361142|0.066727|4.253045|3.620648|0.116150|3.033572|3.132736|2.613539|2.244740|2.215158|2.497389|4.348414|4.009877|5.535966|4.938932|24.288554|3.306309|3.630845|2.387531|4.357501|2.028540|1.810617|1.641665|1.708272|3.449024|5.501049|8.814436|17.562216|8.851506|0.055662|0.051257|0.050399|0.055477|0.065481|0.084428|0.081528|0.102561|0.071221|0.056114|0.065622|0.068920|0.049575|0.041849|0.045095|0.138502|0.123275|0.214748|0.210535|0.303402|0.500000| |2.570736|3.025785|2.948346|3.348071|4.106670|4.327800|4.865295|0.095531|6.802852|5.816736|0.201550|4.152721|3.916200|3.059860|2.653724|2.734861|3.283295|5.283432|6.305471|8.901931|6.099766|29.817561|4.551324|4.764732|3.155591|5.993130|2.544449|2.239197|1.965708|2.024123|4.172401|5.261990|6.541147|8.821881|17.494717|0.073664|0.066693|0.064654|0.071715|0.085678|0.121974|0.125448|0.124402|0.079067|0.064408|0.087682|0.085808|0.061887|0.049473|0.052292|0.121073|0.121909|0.137593|0.194459|0.174374|0.220879|0.500000| 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