Version2.4 2021-05-25T21:08:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)c1c(csc1NC(=O)COc2cc(ccc2C(C)C)C)c3ccc(cc3)Br C01944066 RHF 6-31G(d) (6D,7F) CCOC(=O)c1c(csc1NC(=O)COc2cc(ccc2C(C)C)C)c3ccc(cc3)Br C01[X(C25H26Br1N1O4S1)] 168 C1 551 CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)COc1cc(C)ccc1C(C)C CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)COc1cc(C)ccc1C(C)C CCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)scc1c3ccc(Br)cc3 InChIKey=LVXRJZJJKGJXKA-UHFFFAOYSA-N InChI=1S/C25H26BrNO4S/c1-5-30-25(29)23-20(17-7-9-18(26)10-8-17)14-32-24(23)27-22(28)13-31-21-12-16(4)6-11-19(21)15(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,27,28) InChI=1/C25H26BrNO4S/c1-5-30-25(29)23-20(17-7-9-18(26)10-8-17)14-32-24(23)27-22(28)13-31-21-12-16(4)6-11-19(21)15(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,27,28)/f/h27H CCOC(=O)c1c(csc1NC(=O)COc2cc(ccc2C(C)C)C)c3ccc(cc3)Br C01[X(C25H26Br1N1O4S1)] 168 C01 551 CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)COc1cc(C)ccc1C(C)C CCOC(=O)[C]1[C](SC=[C]1[C]1[CH][CH][C]([CH][CH]1)Br)NC(=O)CO[C]1[CH][C]([CH][CH][C]1C(C)C)C CCOC(=O)[C]1[C](NC(=O)CO[C]2[CH][C](C)[CH][CH][C]2C(C)C)SC=C1[C]3[CH][CH][C](Br)[CH][CH]3 InChIKey=LVXRJZJJKGJXKA-UHFFFAOYSA-N InChI=1S/C25H26BrNO4S/c1-5-30-25(29)23-20(17-7-9-18(26)10-8-17)14-32-24(23)27-22(28)13-31-21-12-16(4)6-11-19(21)15(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,27,28) InChI=1/C25H26BrNO4S/c1-5-30-25(29)23-20(17-7-9-18(26)10-8-17)14-32-24(23)27-22(28)13-31-21-12-16(4)6-11-19(21)15(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,27,28)/f/h27H 3618.0335210176 -4283.177707 1-A 33460.3317 133 418 551 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.06623 -91.98603 -64.47776 -58.61724 -58.61541 -58.61530 -20.61656 -20.59694 -20.55963 -20.55817 -15.62196 -11.39825 -11.37645 -11.34390 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-0.45320 -0.45173 -0.43729 -0.43050 -0.41382 -0.36275 -0.35282 -0.33164 -0.32566 -0.31163 -0.30174 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.09808 0.11913 0.12881 0.14175 0.16312 0.16549 0.16731 0.19237 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84.2270 95.3367 103.9715 114.9218 118.0790 118.5082 127.3823 163.5617 174.3043 201.4034 222.4782 235.2856 239.5730 257.6873 257.8701 261.3539 276.4074 282.3633 299.4941 309.9791 319.1254 330.7072 372.2453 394.0925 395.3375 406.6894 435.6678 438.3939 452.9861 459.4080 465.4966 516.5800 549.3726 559.0234 595.6128 613.7657 621.5654 651.5727 657.3576 670.3677 691.6890 695.0532 748.6189 750.7582 754.9830 766.5467 794.5030 805.2805 818.7429 830.4709 871.0655 874.9287 888.7330 894.5720 906.4566 926.9428 944.4339 952.4157 958.8165 961.4185 967.6846 985.9061 1015.8251 1040.8833 1041.3832 1041.8753 1083.3243 1098.1228 1100.8595 1105.5798 1107.4183 1108.6783 1146.5147 1160.9520 1170.8068 1176.9550 1178.0784 1191.4474 1196.1606 1226.5419 1227.9233 1235.4582 1248.2625 1262.3301 1266.1510 1297.6965 1303.0587 1305.8325 1311.7352 1327.3105 1338.4392 1347.2081 1390.5535 1403.0369 1421.1811 1424.9017 1442.0017 1447.9579 1457.5561 1496.0106 1521.0593 1525.8636 1548.0323 1553.1242 1553.7835 1564.0487 1567.2211 1570.8910 1582.4616 1590.0587 1607.1222 1629.1698 1631.7704 1632.1322 1639.2936 1641.2774 1641.3329 1648.5598 1650.4666 1653.9866 1665.0200 1671.7354 1689.1675 1738.2210 1749.1037 1760.5926 1779.1793 1806.6514 1820.0176 1915.7445 2012.1637 3195.0285 3196.3360 3201.8494 3202.4265 3219.3082 3235.7479 3252.7167 3253.0197 3254.2481 3263.2118 3267.8388 3269.2305 3283.0508 3287.2028 3292.7763 3297.7152 3320.4373 3355.7990 3374.2845 3375.5769 3378.7038 3381.4812 3402.4143 3404.2638 3437.8756 3779.9147 4.0380 7.4140 3.5684 3.8075 7.3901 4.9775 4.6985 3.4492 1.1710 7.2836 3.2775 3.5842 3.0160 4.1294 5.4737 4.6788 7.1481 3.2543 4.5962 5.3323 7.3971 3.7031 2.2392 3.2055 2.4225 1.8221 3.1762 1.4777 1.4789 3.8216 3.3236 4.4326 5.5134 6.5071 4.2387 5.8464 6.9174 4.2217 3.3538 9.4041 2.9352 3.0136 4.1713 3.3262 4.2585 6.5586 3.7400 3.4073 4.9804 3.4547 3.6263 7.0408 7.7967 4.5413 4.6535 4.1642 1.2838 5.6669 3.9996 5.4526 3.6324 4.5716 1.6742 1.5638 2.2217 4.4717 1.2877 2.9993 1.3154 1.9780 2.4934 1.4859 2.6681 1.1646 4.3749 3.4450 1.5537 1.3450 2.2747 2.0463 1.7779 2.9920 1.6205 1.9640 4.3547 1.5172 2.6977 1.8338 2.1616 2.5712 2.2084 2.9208 2.9117 2.4813 2.7863 2.8649 1.5460 2.2981 1.1805 1.8138 2.8526 1.7169 1.7986 7.1466 1.0771 3.1880 1.0910 1.6875 1.4053 3.1355 1.2920 2.4005 1.5047 2.1886 2.2563 1.2680 1.3945 1.7803 1.3010 2.2694 1.5721 2.6833 1.0403 1.0460 1.0450 1.0505 1.0807 1.0801 1.0527 1.0923 1.0942 2.3007 1.1184 2.6413 5.0868 2.3873 6.2113 5.5733 5.6734 5.8533 10.0040 10.2658 1.0565 1.0359 1.0375 1.0371 1.0371 1.1064 1.1024 1.1031 1.1001 1.0617 1.1030 1.1027 1.1015 1.0994 1.1056 1.0888 1.1098 1.0886 1.0909 1.0949 1.0908 1.0908 1.0954 1.0958 1.0955 1.0796 0.0000 0.0003 0.0004 0.0006 0.0019 0.0027 0.0038 0.0039 0.0014 0.0170 0.0131 0.0150 0.0162 0.0263 0.0426 0.0384 0.0591 0.0311 0.0724 0.0955 0.1768 0.1080 0.0730 0.1084 0.0948 0.0714 0.1278 0.0665 0.0695 0.2020 0.1882 0.2660 0.3553 0.5312 0.3879 0.5384 0.6741 0.4721 0.3798 1.1369 0.3650 0.3847 0.6558 0.5915 0.7841 1.3709 0.8301 0.7756 1.2458 0.8796 0.9602 1.9847 2.2192 1.4995 1.5454 1.3985 0.4444 2.1076 1.5281 2.1535 1.4760 2.0437 0.7551 0.7278 1.0475 2.1648 0.6519 1.5762 0.7030 1.0714 1.3579 0.8198 1.5280 0.7081 2.7927 2.2012 0.9937 0.9300 1.6161 1.4611 1.2804 2.1619 1.1735 1.5211 3.4581 1.2254 2.2018 1.4995 1.8079 2.1675 1.9574 2.5948 2.6185 2.2780 2.6159 2.7060 1.5339 2.2990 1.1861 1.8388 2.9610 1.8121 1.9233 8.1419 1.2493 3.7938 1.3051 2.0674 1.7360 3.9248 1.7037 3.2722 2.0641 3.0902 3.2068 1.8037 2.0098 2.5763 1.8915 3.3483 2.3418 4.0833 1.6268 1.6410 1.6401 1.6633 1.7151 1.7145 1.6856 1.7531 1.7636 3.7580 1.8416 4.4403 9.0554 4.3031 11.3437 10.3944 10.9105 11.4235 21.6322 24.4890 6.3542 6.2355 6.2664 6.2665 6.3330 6.8254 6.8721 6.8777 6.8643 6.6609 6.9398 6.9439 6.9953 6.9991 7.0627 6.9761 7.2095 7.2231 7.3178 7.3503 7.3366 7.3488 7.4715 7.4820 7.6285 9.0881 0.0483 0.0037 0.1692 0.2757 0.1912 0.2671 0.0806 0.1311 0.1633 0.0075 0.3984 0.8913 1.9500 0.7984 1.6864 8.4883 0.6795 6.7770 1.1010 0.9083 0.3835 0.7958 0.7329 0.1423 2.6498 0.3652 6.1248 3.2335 0.4770 3.3561 0.7890 12.4118 4.1183 5.4374 6.5527 1.1386 4.7748 11.1538 0.3320 0.9597 0.0607 1.3655 4.9052 2.1064 2.9155 8.3091 8.4799 1.6967 19.2135 0.7937 29.6798 0.9954 0.6899 2.0312 8.5034 8.8591 66.8844 13.9113 1.3153 9.0278 3.7120 30.0642 14.8681 1.5460 61.2648 3.7035 35.9011 46.0071 0.4023 7.9892 1.2263 9.7650 11.6931 0.3097 21.4232 11.7636 0.2015 0.8186 25.2776 18.2564 6.6854 33.8770 8.0625 0.0425 53.5653 3.3428 27.0341 8.1880 6.2294 11.3053 2.7146 63.6357 76.6453 46.2322 8.5556 7.4492 6.1480 294.8754 8.3468 31.3124 8.0739 2.4609 11.4135 1077.9289 2.5871 133.4456 1.2575 105.3119 49.0241 384.0086 1.4588 103.0470 70.3125 9.8302 17.7302 2.5288 26.7969 112.0214 6.3000 62.0130 19.9344 109.6736 6.2018 0.0462 4.9561 2.0987 18.5269 32.1580 3.2566 3.4957 21.4672 75.5272 7.1049 105.0029 242.2516 787.1942 43.4597 21.5333 1.3168 48.0978 385.6422 193.5347 36.6005 33.8253 75.7793 7.7030 20.7787 23.7786 30.8357 4.8514 58.0154 14.0980 33.4739 62.9545 27.5740 44.9973 5.1920 31.6971 46.8623 14.8149 9.6315 43.0463 7.5025 12.4516 7.1746 1.7296 1.9397 155.0403 0.8725 0.7299 3.4933 1.1480 1.1899 4.0221 0.8064 3.0324 0.1295 1.9341 0.3844 0.3183 0.9207 0.5189 0.6382 0.1170 1.7871 0.2393 0.6068 0.5723 2.7634 0.6247 1.2120 1.8019 0.4287 1.3435 0.5130 0.2605 0.4435 2.0373 4.1670 1.0866 1.9841 5.2011 1.8486 0.8896 0.6569 0.5651 1.3157 1.8744 0.4092 2.4883 4.5316 1.0631 0.8592 2.1501 3.0649 0.6239 0.5613 1.2193 2.4709 3.6209 12.8225 6.2825 5.4846 6.5414 0.1776 10.1988 3.5750 6.9245 0.0529 19.9487 4.7402 2.5574 0.4626 1.8053 0.6791 2.4712 3.2977 4.0320 9.6722 2.4859 8.5366 1.0949 11.6356 10.8698 7.7222 1.5701 4.1417 1.7091 5.7959 2.9213 0.5091 0.1136 3.1641 0.3685 6.8542 18.1769 1.5775 9.7202 7.0773 1.6518 5.7027 5.9705 1.8644 3.9749 1.0209 10.5784 8.0971 0.9838 2.3311 3.8569 26.1540 7.9675 12.8401 21.1118 10.4741 5.7834 4.4116 25.6342 7.5989 22.1072 11.5462 9.4657 36.2308 1.4775 30.2312 39.0650 0.8811 9.5771 5.1198 57.5544 17.0459 21.9260 24.0325 4.1569 15.6089 8.5079 41.4730 4.5593 7.8524 1.9624 4.7373 5.1896 31.7820 6.1832 2.1894 12.2947 140.5647 55.7335 18.0761 33.2011 52.4481 1.9503 4.1381 373.5535 104.6986 24.1368 85.5816 19.7513 145.6940 86.2846 39.0339 118.0438 73.2946 73.8042 75.7161 48.4143 10.0307 60.5877 48.2676 114.6633 46.4949 113.2879 49.1943 152.7397 84.8849 64.3540 0.7499 0.7352 0.7391 0.6985 0.7454 0.7296 0.7380 0.7421 0.7198 0.7465 0.7279 0.7452 0.7497 0.7297 0.7334 0.7395 0.1901 0.5771 0.5988 0.7460 0.4747 0.1793 0.7495 0.7471 0.7353 0.7492 0.7447 0.4632 0.4766 0.6951 0.3287 0.6367 0.6306 0.1548 0.1964 0.5468 0.6323 0.5366 0.7495 0.6096 0.4447 0.0453 0.5073 0.7499 0.6663 0.3079 0.7463 0.4391 0.7381 0.7371 0.7309 0.7048 0.4848 0.0950 0.3891 0.2940 0.2037 0.2181 0.1001 0.0351 0.7499 0.0986 0.1507 0.5552 0.4365 0.7482 0.7481 0.1963 0.5187 0.7112 0.3952 0.7499 0.4173 0.7498 0.2310 0.0762 0.7372 0.7493 0.3806 0.3210 0.5400 0.1730 0.2462 0.7209 0.7422 0.7500 0.1734 0.1778 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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 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 5928.2679 58446.4118 63289.3953 0.99999 0.00389 0.00161 -0.00389 0.99999 0.00071 -0.00161 -0.00072 1.00000 1 0.01461 0.00148 0.00137 0.30443 0.03088 0.02852 4.17 12.51 20.35 23.79 29.76 43.66 53.16 62.96 64.93 90.51 118.32 121.18 137.17 149.59 165.35 169.89 170.51 183.27 235.33 250.78 289.77 320.10 338.52 344.69 370.75 371.02 376.03 397.69 406.26 430.91 445.99 459.15 475.81 535.58 567.01 568.80 585.14 626.83 630.75 651.75 660.99 669.75 743.24 790.42 804.31 856.95 883.07 894.29 937.47 945.79 964.51 995.19 1000.03 1077.10 1080.17 1086.25 1102.89 1143.11 1158.62 1177.99 1194.86 1253.27 1258.83 1278.69 1287.09 1304.19 1333.66 1358.83 1370.31 1379.52 1383.27 1392.28 1418.50 1461.55 1497.60 1498.32 1499.03 1558.66 1579.95 1583.89 1590.68 1593.33 1595.14 1649.58 1670.35 1684.53 1693.38 1694.99 1714.23 1721.01 1764.72 1766.71 1777.55 1795.97 1816.21 1821.71 1867.10 1874.81 1878.80 1887.29 1909.70 1925.72 1938.33 2000.70 2018.66 2044.76 2050.12 2074.72 2083.29 2097.10 2152.43 2188.47 2195.38 2227.27 2234.60 2235.55 2250.32 2254.88 2260.16 2276.81 2287.74 2312.29 2344.01 2347.75 2348.27 2358.58 2361.43 2361.51 2371.91 2374.65 2379.72 2395.59 2405.25 2430.34 2500.91 2516.57 2533.10 2559.84 2599.37 2618.60 2756.33 2895.05 4596.93 4598.81 4606.75 4607.58 4631.87 4655.52 4679.93 4680.37 4682.14 4695.03 4701.69 4703.69 4723.58 4729.55 4737.57 4744.68 4777.37 4828.25 4854.84 4856.70 4861.20 4865.20 4895.32 4897.98 4946.34 5438.45 0.496394 0.527298 0.528243 0.424209 -4282.681313 -4282.650409 -4282.649465 -4282.753498 3.489284D-04 MUNgauss RevisionA2.1 retrievium 25-May-2021 DUDE CCOC(=O)c1c(csc1NC(=O)COc2cc(ccc2C(C)C)C)c3ccc(cc3)Br C01944066 RHF 6-31G(d) (6D,10F) C1 515.076591 |X|Y|Z| 56.513384 22.248406 172.548012 60.087858 21 6 7 8 16 18 1 1 1 |36.858105| |12.586249|36.858105| |8.039680|13.342265|73.516695| |5.283809|8.106753|25.813993|36.858105| |4.631604|7.223651|15.364975|15.814812|73.516695| |4.064883|5.192130|14.485637|12.935314|14.327025|36.858105| |3.856541|4.408782|11.699386|7.254500|9.113511|13.082124|36.858105| |3.038142|3.385978|8.065669|5.105962|7.247015|8.233213|14.213347|36.858105| |2.647172|3.051690|6.920303|4.775082|7.437878|7.381304|7.386221|11.008032|388.023441| |3.192926|3.956801|9.406685|7.701832|11.879624|13.875852|8.129937|7.744741|78.451196|36.858105| |2.929951|3.694827|8.041886|6.531155|12.573004|7.814852|5.194320|4.993726|49.631040|13.844872|53.358707| |2.424892|2.935795|6.071666|4.447508|8.565982|5.128679|3.984195|4.122891|43.172087|7.784067|18.936168|36.858105| |2.199882|2.584128|5.357021|3.753250|6.844564|4.525087|3.819686|4.234193|48.185085|6.710414|11.496964|16.015597|73.516695| |2.267262|2.745471|5.381265|3.809807|7.844402|3.952319|3.143376|3.141301|29.131389|5.103445|10.806798|12.519062|14.089057|36.858105| |1.949993|2.291589|4.439792|3.010761|5.950525|3.173681|2.671593|2.746923|25.314472|3.976650|7.263640|8.097923|12.790865|13.810928|73.516695| |1.789603|2.080594|3.926973|2.593389|5.159578|2.649193|2.270418|2.305230|20.210927|3.149667|5.449495|5.218491|8.462220|8.009851|24.928755|36.858105| |1.832082|2.142090|3.950166|2.588892|5.282902|2.547075|2.164670|2.146627|18.190077|2.927504|5.043734|4.420375|6.842911|6.772469|14.060922|13.773089|36.858105| |1.651637|1.898535|3.448088|2.204304|4.433958|2.154893|1.871515|1.855151|15.333537|2.412598|3.972921|3.343126|5.386497|4.528165|9.212332|7.882997|13.660915|36.858105| |1.492515|1.691708|3.091722|1.957360|3.851296|1.947234|1.723269|1.731338|14.316998|2.183126|3.508958|2.984693|5.014030|3.813999|8.221696|6.898269|7.993954|13.804916|36.858105| |1.470629|1.662659|3.084229|1.962022|3.808233|1.994764|1.777653|1.814016|15.268915|2.274858|3.645188|3.206401|5.572029|4.012514|9.435766|8.035076|6.947593|7.934303|13.706075|36.858105| |1.588996|1.812618|3.415430|2.208965|4.284982|2.283831|2.016094|2.076892|18.009319|2.677194|4.388609|4.080163|7.178800|5.256379|14.479034|13.589937|7.850332|6.739663|7.838021|13.781635|36.858105| |1.523690|1.721078|3.287732|2.117073|4.006699|2.249546|2.026910|2.137823|18.832483|2.666058|4.234961|3.994087|7.641997|4.571813|12.124030|7.455744|4.973637|4.377822|4.971281|7.501345|12.492284|36.858105| |1.425070|1.591753|3.028160|1.922211|3.599089|2.040067|1.867408|1.975830|17.083273|2.377957|3.673583|3.331954|6.414196|3.660799|8.696894|5.259344|3.987283|3.719917|4.312112|6.108188|7.522183|12.409778|36.858105| |1.419690|1.589714|3.028118|1.929276|3.620989|2.051167|1.876157|1.983916|17.161525|2.392738|3.700858|3.356584|6.447601|3.691226|8.810361|5.302570|4.008133|3.724707|4.298812|6.063724|7.531312|12.408504|7.525320|36.858105| |1.650243|1.891053|3.361342|2.117245|4.291311|2.021068|1.758759|1.718250|13.847753|2.202873|3.563613|2.856404|4.563279|3.700563|6.878518|5.020255|7.574442|12.609516|7.541985|5.013431|4.392272|3.249687|2.891671|2.894817|36.858105| |4.431568|4.595113|11.771247|5.847966|7.599584|7.209104|12.758836|7.717274|33.793017|5.037511|5.142226|3.058365|5.227228|2.560361|3.953374|1.944369|1.882159|1.659161|1.533941|1.568915|1.748316|1.750286|1.629876|1.638316|1.583066|36.858105| |4.236253|4.089304|9.508248|4.597697|6.350736|5.244294|7.617624|5.949708|28.279634|4.042075|4.347016|2.677238|4.629907|2.285797|3.586665|1.784904|1.731384|1.541735|1.433619|1.465171|1.620799|1.626820|1.538617|1.518225|1.476902|13.734164|36.858105| |4.140433|3.681857|7.793580|3.674176|5.326796|3.903930|5.038531|4.251103|22.105881|3.155357|3.566558|2.252219|3.900910|1.975298|3.140528|1.587648|1.551670|1.398939|1.305878|1.328409|1.453727|1.456096|1.383720|1.370354|1.351697|7.891778|13.735598|36.858105| |4.229699|3.650812|7.467414|3.481978|5.122233|3.593564|4.465558|3.762309|20.156811|2.916614|3.351369|2.123168|3.660661|1.883051|2.998987|1.525236|1.498306|1.356469|1.265571|1.282874|1.397721|1.395263|1.317702|1.325155|1.317123|6.867903|7.983005|13.806747|36.858105| |4.417594|3.986710|8.392385|3.925092|5.695269|4.055004|5.037606|4.096372|21.826278|3.220510|3.666733|2.292828|3.925599|2.023135|3.196894|1.618069|1.589857|1.431962|1.330865|1.348600|1.474445|1.468288|1.371368|1.400586|1.388533|7.894112|6.881445|7.920894|13.761623|36.858105| |4.535566|4.517964|10.652468|5.113601|6.996981|5.618883|7.597286|5.538687|27.671727|4.176441|4.527589|2.743952|4.667768|2.359186|3.669045|1.827469|1.783994|1.585555|1.466250|1.491743|1.648859|1.643084|1.521211|1.558737|1.524692|13.696128|7.971110|6.880311|7.982315|13.781584|36.858105| |3.456504|2.906597|5.505091|2.641164|4.079875|2.656256|3.089866|2.752330|15.750301|2.261553|2.698824|1.754189|3.037238|1.590922|2.571395|1.327450|1.311292|1.202768|1.128491|1.139669|1.228336|1.225040|1.164839|1.171428|1.176666|4.076417|4.598639|6.693001|10.029209|6.689478|4.601386|2539.412838| |17.555436|8.907111|10.214022|4.279008|7.133655|3.369674|3.173567|2.597065|16.527535|2.767562|3.557247|2.209996|3.567034|2.111065|3.256160|1.703536|1.761622|1.604699|1.448870|1.417210|1.517519|1.446702|1.356819|1.351077|1.621907|3.541189|3.439926|3.441313|3.549359|3.657635|3.656792|105.766958|0.500000| |17.580419|8.855228|12.895527|4.922732|7.503498|3.996842|3.929448|3.111728|18.973531|3.150147|3.879173|2.375033|3.870832|2.200515|3.387216|1.744616|1.773428|1.600272|1.454222|1.439532|1.557266|1.502515|1.417128|1.394241|1.590856|4.621030|4.767238|4.715650|4.535929|4.401994|4.448669|124.890319|0.300572|0.500000| |17.587214|8.849741|12.876861|4.902591|7.465005|3.979335|3.944673|3.098329|18.748439|3.111041|3.818931|2.335142|3.807499|2.163178|3.333198|1.717303|1.745925|1.576834|1.433574|1.418893|1.534010|1.480823|1.381260|1.391665|1.568815|4.788146|4.455577|4.527732|4.992494|5.474014|5.345644|136.526964|0.300521|0.301301|0.500000| |8.808693|17.626216|16.523729|7.284088|13.081194|4.780452|3.961620|3.153472|20.946354|3.840554|5.078626|2.992294|4.632759|2.857389|4.216271|2.166904|2.254657|1.997189|1.766445|1.725082|1.876067|1.765429|1.640785|1.613892|2.001941|3.950152|3.659908|3.280205|3.155062|3.326593|3.724924|87.930180|0.211722|0.211106|0.172956|0.500000| |8.804855|17.621019|16.519773|7.234237|12.906478|4.756772|3.980934|3.141980|20.661637|3.774464|4.950931|2.916162|4.528748|2.779153|4.116045|2.116379|2.200060|1.952997|1.730484|1.690600|1.836695|1.731364|1.586593|1.610545|1.959235|4.055698|3.515343|3.216140|3.297577|3.723060|4.206443|91.706974|0.211451|0.172959|0.210974|0.302380|0.500000| |2.748332|2.950286|6.723505|4.033967|5.926368|5.685198|8.823675|17.788949|55.440422|5.439857|5.364831|3.446313|6.454204|2.717551|4.348218|2.085244|1.939463|1.698522|1.602037|1.683571|1.912093|1.989067|1.859063|1.866524|1.576471|6.841456|5.849727|4.347170|3.822659|4.052290|5.179410|96.182092|0.066034|0.078892|0.078786|0.076423|0.076376|0.500000| |3.202480|4.218195|8.928105|7.626858|17.695464|7.407730|4.782770|4.307788|37.621865|9.528179|25.910206|9.231592|10.792686|7.601497|8.799724|3.925674|3.841206|3.024959|2.607371|2.638520|3.107655|2.898986|2.525330|2.546425|2.778596|3.665036|3.109204|2.588545|2.456457|2.696394|3.298178|67.698731|0.079692|0.085017|0.083818|0.120570|0.117361|0.096534|0.500000| |2.354641|2.872292|5.537457|3.897144|8.229131|3.882165|3.068132|3.003740|26.801962|4.794111|9.768031|8.934865|11.006898|17.520697|16.534357|7.050536|6.805180|4.617621|3.777570|3.829282|4.767011|4.052273|3.449920|3.243748|3.893816|2.531425|2.295369|1.986134|1.879074|1.997335|2.311613|54.162121|0.061190|0.063838|0.061412|0.085297|0.079823|0.072273|0.209751|0.500000| |2.328040|2.847487|5.500183|3.899765|8.304060|3.897757|3.075220|3.005477|26.788348|4.813613|9.855619|8.923877|10.928556|17.522283|16.534981|7.010066|6.776024|4.597840|3.759884|3.809628|4.739852|4.034530|3.214805|3.465698|3.883402|2.541157|2.240010|1.952551|1.888263|2.053730|2.394475|54.427394|0.060492|0.061750|0.061995|0.081528|0.082147|0.072331|0.214253|0.301039|0.500000| |2.020434|2.403985|4.400506|2.919208|6.146677|2.799727|2.327466|2.267093|19.054261|3.191325|5.642721|4.736989|6.944596|7.581080|12.658312|8.906448|17.737826|8.950221|5.685018|4.992247|5.602659|4.059407|3.362615|3.383408|7.093428|2.019087|1.846173|1.649164|1.594061|1.698086|1.914535|47.213674|0.053975|0.053964|0.053118|0.070886|0.069040|0.056303|0.124883|0.228992|0.229240|0.500000| |1.394206|1.566066|2.840838|1.777060|3.474758|1.760398|1.573257|1.577668|12.855759|1.946745|3.071610|2.555495|4.327085|3.147293|6.520083|4.964854|5.660244|8.926729|17.711238|8.914609|5.614705|4.073674|3.737602|3.719637|6.955726|1.415206|1.329639|1.219693|1.185028|1.242541|1.358865|36.228513|0.037796|0.037754|0.037242|0.045388|0.044522|0.040812|0.063589|0.087354|0.086998|0.124571|0.500000| |1.362501|1.525217|2.828736|1.781849|3.417086|1.821533|1.646237|1.689856|14.105591|2.061935|3.232046|2.804701|4.985918|3.342127|7.597946|5.684183|4.990304|5.662973|8.964233|17.711060|8.971875|6.984504|6.417931|6.314667|4.097162|1.463215|1.373661|1.251595|1.209525|1.267376|1.394035|36.774382|0.036522|0.037153|0.036641|0.043793|0.042978|0.043961|0.064564|0.088720|0.088313|0.108185|0.217314|0.500000| |1.627793|1.849242|3.583054|2.335912|4.395034|2.531013|2.269569|2.423800|22.077109|3.081882|4.941691|4.911928|9.936685|5.372229|14.927982|7.356264|4.797841|3.975266|4.188452|5.616360|8.994855|17.631569|8.966111|8.963349|3.037318|1.927388|1.780171|1.577568|1.505226|1.588177|1.794522|44.538112|0.042610|0.044658|0.043986|0.052530|0.051475|0.062205|0.091275|0.126773|0.125947|0.113920|0.096373|0.141011|0.500000| |1.337799|1.486295|2.799797|1.760781|3.304184|1.846471|1.696832|1.780328|15.071368|2.115733|3.244734|2.860665|5.376035|3.178998|7.266267|4.636001|3.746390|3.710725|4.550851|6.535122|6.717695|8.716132|17.539812|6.787045|2.912369|1.498648|1.419972|1.287125|1.230611|1.278743|1.408324|37.303806|0.035583|0.036903|0.036025|0.042594|0.041277|0.046741|0.062934|0.084522|0.079786|0.087251|0.113525|0.218257|0.173769|0.500000| |1.382152|1.533358|2.934437|1.853175|3.424124|1.991441|1.850020|1.982729|17.148253|2.319546|3.502861|3.145184|6.248944|3.288310|7.484199|4.240418|3.321828|3.090421|3.482835|4.605137|5.486185|8.791800|17.539269|6.889292|2.491874|1.616675|1.530814|1.377562|1.309886|1.360248|1.506703|39.439191|0.036460|0.038303|0.037372|0.043662|0.042318|0.052322|0.066139|0.085518|0.080740|0.080494|0.086256|0.135782|0.216054|0.301857|0.500000| |1.479718|1.656824|3.151389|2.003784|3.759913|2.120471|1.930879|2.035542|17.614161|2.474324|3.843621|3.483062|6.625517|3.846603|8.969948|5.344211|4.119423|3.783370|4.232141|5.619361|6.890995|8.758792|17.557827|5.473672|2.961454|1.680940|1.595518|1.429865|1.352917|1.401353|1.555849|40.596315|0.039114|0.041051|0.039604|0.047804|0.045586|0.052964|0.073526|0.104265|0.091372|0.097594|0.101464|0.153843|0.213667|0.301538|0.301313|0.500000| |1.469750|1.653201|3.152119|2.018090|3.803688|2.142773|1.948354|2.051823|17.773276|2.504249|3.899244|3.533620|6.694567|3.908559|9.188407|5.419924|4.156378|3.788646|4.205797|5.552669|6.896364|8.759331|5.474148|17.558054|2.965065|1.697498|1.557911|1.405453|1.367200|1.456397|1.627014|41.021281|0.038817|0.039853|0.040159|0.046371|0.046873|0.053377|0.074713|0.092717|0.105473|0.098688|0.100559|0.150493|0.213840|0.138866|0.140900|0.122511|0.500000| |1.376525|1.530705|2.932645|1.858319|3.440873|2.000351|1.857266|1.989434|17.212137|2.331353|3.523485|3.162642|6.272175|3.307368|7.548698|4.260392|3.332556|3.092795|3.476303|4.587253|5.488226|8.786684|6.894618|17.538388|2.493654|1.623955|1.509684|1.363542|1.316586|1.388233|1.542521|39.643616|0.036297|0.037694|0.037623|0.042977|0.042889|0.052501|0.066581|0.081280|0.085752|0.080826|0.085993|0.134604|0.215635|0.168997|0.207347|0.140870|0.301303|0.500000| |1.333614|1.485169|2.800807|1.767193|3.323596|1.855686|1.704079|1.786765|15.129775|2.127328|3.265954|2.878459|5.398272|3.202540|7.342775|4.674233|3.770128|3.721652|4.543022|6.493877|6.738725|8.721852|6.781822|17.537725|2.919528|1.505823|1.403419|1.276070|1.237179|1.303717|1.439673|37.505293|0.035456|0.036366|0.036287|0.041973|0.041866|0.046905|0.063412|0.080410|0.084965|0.087853|0.113026|0.213307|0.173794|0.199798|0.168490|0.138881|0.301535|0.301679|0.500000| |1.708408|1.966765|3.473676|2.188485|4.474795|2.067860|1.791448|1.737545|13.914395|2.236863|3.619093|2.852193|4.510078|3.674117|6.599295|4.603521|6.739332|8.836567|5.872488|4.299198|3.942642|3.009303|2.630594|2.753905|17.541120|1.617047|1.498173|1.373716|1.347413|1.429681|1.570809|40.951757|0.046754|0.045352|0.045235|0.057537|0.057316|0.044183|0.079382|0.105294|0.112111|0.193348|0.151356|0.099656|0.079522|0.072845|0.064046|0.073923|0.080263|0.066324|0.076501|0.500000| |1.514007|1.712869|3.037180|1.889925|3.775527|1.813601|1.600144|1.569605|12.543569|1.962676|3.112017|2.483137|4.048821|3.096697|5.841552|4.169292|5.576706|8.844638|7.234537|4.739424|3.931345|3.002096|2.738858|2.738433|17.582863|1.452530|1.362950|1.255427|1.225394|1.287340|1.403521|37.536930|0.041493|0.040650|0.040116|0.050169|0.049190|0.040319|0.066701|0.089417|0.089198|0.141605|0.220856|0.113134|0.076720|0.078505|0.065919|0.077196|0.077115|0.065913|0.078590|0.301804|0.500000| |1.721658|1.978418|3.488645|2.191549|4.471122|2.068199|1.792090|1.738799|13.926362|2.237268|3.618423|2.853806|4.516153|3.674102|6.591061|4.599815|6.726957|8.836830|5.880527|4.302524|3.943149|3.009310|2.747650|2.633119|17.540422|1.616461|1.516092|1.386805|1.345633|1.411986|1.548656|40.884044|0.047153|0.046230|0.045078|0.058926|0.056617|0.044206|0.079256|0.112397|0.105115|0.192600|0.151666|0.099748|0.079594|0.076159|0.066219|0.080053|0.074066|0.064083|0.072944|0.302173|0.301810|0.500000| |3.810367|3.778413|8.616712|4.386787|6.190237|5.106041|7.056732|6.025340|29.506873|4.114918|4.435560|2.758453|4.809252|2.341005|3.685650|1.828328|1.764449|1.568560|1.461725|1.499118|1.662997|1.675584|1.597823|1.550247|1.496006|8.927573|17.726374|8.939136|5.672542|4.957099|5.659527|130.238781|0.087969|0.121301|0.106229|0.098197|0.089743|0.164915|0.087076|0.065880|0.062702|0.052093|0.037608|0.039059|0.051071|0.040831|0.044238|0.046340|0.043883|0.042893|0.039756|0.041862|0.038344|0.042813|0.500000| |3.688676|3.248142|6.588244|3.172019|4.734930|3.329903|4.105076|3.638229|19.767151|2.788790|3.221503|2.069288|3.603192|1.833481|2.942023|1.497463|1.464808|1.328741|1.245191|1.266240|1.379399|1.383546|1.325976|1.300890|1.286421|5.626061|8.896765|17.751541|8.930332|5.641683|4.958467|219.706101|0.088025|0.119301|0.108537|0.082833|0.078994|0.104716|0.064951|0.051518|0.050065|0.043070|0.032414|0.033251|0.041469|0.034356|0.036728|0.038151|0.036872|0.036013|0.033768|0.036171|0.033315|0.036746|0.215226|0.500000| 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