Version2.0 2020-02-04T23:31:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1[C@@]2(CC(=O)N(C2=O)CCCOC)CC(=O)N(C)CC[C@H]3[NH+]=c4ccc(cc4=[NH+]3)F C64131533 RHF 6-31G(d) (6D,7F) Cc1ccccc1[C@@]2(CC(=O)N(C2=O)CCCOC)CC(=O)N(C)CC[C@H]3[NH+]=c4ccc(cc4=[NH+]3)F C01[X(C27H33F1N4O4)] 201 C1 606 COCCCN1C(=O)C[C@@](C1=O)(CC(=O)N(CC[C@@H]1[NH+]=c2c(=[NH+]1)ccc(c2)F)C)c1ccccc1C COCCCN1C(=O)C[C@@](C1=O)(CC(=O)N(CC[C@@H]1[NH+]=c2c(=[NH+]1)ccc(c2)F)C)c1ccccc1C COCCCN1C(=O)C[C@](CC(=O)N(C)CC[C@H]2[NH+]=C3C=CC(=CC3=[NH+]2)F)(C1=O)c4ccccc4C InChIKey=FJBMRFAUCHIFFQ-HOFKKMOUSA-P InChI=1S/C27H31FN4O4/c1-18-7-4-5-8-20(18)27(17-25(34)32(26(27)35)12-6-14-36-3)16-24(33)31(2)13-11-23-29-21-10-9-19(28)15-22(21)30-23/h4-5,7-10,15,23H,6,11-14,16-17H2,1-3H3/p+2/t23-,27-/m0/s1 InChI=1/C27H31FN4O4/c1-18-7-4-5-8-20(18)27(17-25(34)32(26(27)35)12-6-14-36-3)16-24(33)31(2)13-11-23-29-21-10-9-19(28)15-22(21)30-23/h4-5,7-10,15,23H,6,11-14,16-17H2,1-3H3/p+2/t23-,27-/m0/s1/fC27H33FN4O4/h29-30H/q+2 Cc1ccccc1[C@@]2(CC(=O)N(C2=O)CCCOC)CC(=O)N(C)CC[C@H]3[NH+]=c4ccc(cc4=[NH+]3)F C01[X(C27H33F1N4O4)] 201 C01 606 COCCCN1C(=O)C[C@@](C1=O)(CC(=O)N(CC[C@@H]1[NH+]=c2c(=[NH+]1)ccc(c2)F)C)c1ccccc1C COCCCN1C(=O)C[C@@](C1=O)(C[C@@H](N(CC[C@@H]1N[C@@H]2[C@H](N1)C=CC(=C2)F)C)O)c1ccccc1C COCCCN1C(=O)C[C@](C[C@H](O)N(C)CC[C@H]2N[C@@H]3C=CC(=C[C@@H]3N2)F)(C1=O)c4ccccc4C InChIKey=ZJOQYDJWNYDJJG-GKPVTSGTSA-N InChI=1S/C27H37FN4O4/c1-18-7-4-5-8-20(18)27(17-25(34)32(26(27)35)12-6-14-36-3)16-24(33)31(2)13-11-23-29-21-10-9-19(28)15-22(21)30-23/h4-5,7-10,15,21-24,29-30,33H,6,11-14,16-17H2,1-3H3/t21-,22+,23+,24+,27+/m1/s1 InChI=1/C27H37FN4O4/c1-18-7-4-5-8-20(18)27(17-25(34)32(26(27)35)12-6-14-36-3)16-24(33)31(2)13-11-23-29-21-10-9-19(28)15-22(21)30-23/h4-5,7-10,15,21-24,29-30,33H,6,11-14,16-17H2,1-3H3/t21-,22+,23+,24+,27+/m1/s1 4129.7399991790 -1657.8121055 1-A 19400.9934 131 475 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.61427 -20.79153 -20.74217 -20.71073 -20.70242 -15.99063 -15.96411 -15.80271 -15.76962 -11.68100 -11.67034 -11.66739 -11.62639 -11.58662 -11.56836 -11.56068 -11.54318 -11.52401 -11.51772 -11.50847 -11.50233 -11.47330 -11.47063 -11.45158 -11.43570 -11.43388 -11.42375 -11.40814 -11.39805 -11.38654 -11.37883 -11.36258 -11.36210 -11.35543 -11.35424 -11.35321 -1.94518 -1.71950 -1.61163 -1.59727 -1.58721 -1.58466 -1.56309 -1.47907 -1.46087 -1.43816 -1.37061 -1.36154 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1.6445 2.7886 2.7640 2.8116 2.4907 3.2123 2.6673 5.0194 2.0517 1.3680 1.9042 1.3120 1.6283 1.5481 1.6445 2.1253 1.8777 1.6947 1.6308 1.5348 1.5461 1.3814 1.5163 1.5794 1.6765 1.3905 1.3758 1.8301 1.3563 1.8053 1.6798 1.4496 2.0736 1.3688 1.6032 1.3582 1.7382 1.3431 1.7103 1.3998 1.4486 2.0765 4.2346 1.2341 1.4338 1.4906 1.1545 1.3161 1.1105 1.4796 1.2949 1.5875 1.1379 1.2621 1.0593 1.2060 1.2124 1.0714 1.1366 1.0549 1.0536 1.8679 1.3534 1.0973 7.8043 5.1604 5.0829 5.0626 6.8853 8.9469 6.8459 12.3623 12.0011 1.0532 1.0325 1.0682 1.0617 1.0566 1.0386 1.0743 1.0811 1.0635 1.0650 1.1072 1.0844 1.1044 1.0616 1.1087 1.1081 1.1032 1.0991 1.0995 1.1020 1.1051 1.1026 1.1094 1.1033 1.0897 1.0924 1.0915 1.0974 1.0932 1.0933 1.1018 1.0975 1.0846 0.0010 0.0017 0.0025 0.0029 0.0052 0.0076 0.0084 0.0112 0.0177 0.0117 0.0216 0.0312 0.0260 0.0390 0.0457 0.0244 0.0258 0.0401 0.0690 0.0246 0.0525 0.0561 0.1209 0.1003 0.1053 0.1131 0.0981 0.0956 0.1675 0.1914 0.1651 0.1439 0.1856 0.2855 0.3373 0.3984 0.3659 0.3833 0.3515 0.4414 0.6442 0.4345 0.4654 0.5179 0.4304 0.5000 0.5836 0.6460 0.5779 0.7656 0.8361 0.7902 1.0708 0.7447 1.0524 0.9197 2.0392 1.2353 1.3885 1.1850 1.6043 1.6862 2.2136 1.5488 1.0400 0.5078 1.2928 0.8843 0.6405 1.4215 1.5485 1.4929 2.0512 0.7086 0.9563 0.7938 1.2229 1.3528 0.7770 1.6406 1.7300 2.2974 1.5631 1.7542 1.6611 1.0091 1.0547 1.0265 2.0573 0.9832 1.0254 2.5101 2.1648 2.7210 2.2443 1.3169 2.2461 2.2343 2.3084 2.0538 2.7903 2.3444 4.4481 1.8765 1.2571 1.7806 1.2318 1.5625 1.5211 1.6195 2.1145 1.9128 1.7506 1.7114 1.6389 1.6617 1.4950 1.6605 1.7459 1.8951 1.6073 1.6213 2.2352 1.6707 2.2324 2.0923 1.8365 2.6407 1.7491 2.0748 1.8103 2.3444 1.8251 2.3428 1.9726 2.0537 2.9926 6.1348 1.7956 2.1359 2.2313 1.7568 2.0094 1.7003 2.2738 2.0153 2.4959 1.7934 2.0011 1.6812 1.9157 1.9302 1.7208 1.8265 1.7027 1.7067 3.0733 2.2297 1.8233 14.3742 9.5631 9.7516 9.7457 13.4895 17.9782 14.1759 27.9140 29.5022 6.3773 6.3059 6.5564 6.5251 6.4982 6.4103 6.7032 6.7663 6.7018 6.7336 7.0055 6.8783 7.0225 6.7628 7.1190 7.1439 7.1250 7.1059 7.1247 7.1556 7.2062 7.2026 7.3165 7.3188 7.2794 7.3220 7.3519 7.4649 7.4748 7.5334 7.6018 7.6806 9.0572 3.6901 0.5484 4.3413 4.5534 2.7402 2.4473 0.6435 0.7470 2.9696 2.8313 4.5294 10.6044 1.7865 3.5414 1.0325 2.2463 0.5163 4.9705 8.8797 1.1583 0.5057 6.9753 1.7222 7.3393 1.1550 2.4543 3.4855 13.3295 3.6908 3.0810 0.6706 3.4772 4.4649 2.7411 1.0625 1.7253 23.9805 24.6676 16.1738 12.3483 27.1288 5.7618 5.9766 28.4604 2.8604 11.0818 18.3890 0.8461 14.2084 3.2181 1.6321 15.1919 3.7591 30.5907 1.4984 0.0915 5.5240 7.8325 16.1414 5.7359 22.3993 1.9507 5.3824 6.1967 14.7522 4.1373 6.1174 3.5454 50.5850 1.8394 4.1200 7.7812 19.1705 13.4906 12.2712 116.7288 30.6243 2.5259 0.0580 28.1092 8.2418 73.8534 10.4385 7.4224 8.0930 0.7852 0.0791 58.4449 1.5178 0.5022 0.2810 19.6557 84.4288 9.7957 7.1724 8.0484 5.4727 11.5300 24.4132 46.3107 38.1144 11.3151 223.5980 10.0672 11.1244 52.7961 51.7915 10.0768 7.3740 12.2544 5.4344 1.8419 23.0908 61.1912 26.5064 19.0685 127.9796 4.1077 41.5634 23.1425 6.7097 25.2704 81.1335 0.7772 90.7333 56.2757 6.0614 28.2705 21.1105 46.3523 21.3225 59.9827 32.0444 36.0108 133.2034 42.9003 268.0974 247.6321 10.3679 55.9777 62.2089 14.8353 10.1579 6.2183 1.7726 60.3433 90.8383 42.4069 24.3051 14.3887 43.2316 11.9569 8.9574 23.4322 3.2258 5.8185 45.3034 115.2408 8.5362 413.6566 1.0955 357.7587 1.2681 239.8192 348.8542 13.9109 598.6552 152.6965 30.2016 30.4909 11.0350 11.5894 71.3451 24.9306 91.8116 343.2723 4.0938 1.5690 19.7598 19.7574 11.0682 15.0801 22.5817 31.7137 3.8981 35.8357 33.1487 11.3163 3.9537 2.9216 8.1417 10.3253 5.4610 1227.5385 7.3681 16.9407 14.8585 4.9629 29.7643 66.2835 257.7314 1.3994 0.8169 1.7269 2.0188 0.1888 5.9765 1.1836 2.8105 2.4533 1.2420 0.5387 0.0393 0.5522 0.4613 1.1462 0.6443 1.7169 0.4629 1.1036 1.1880 0.8104 0.5191 0.7363 0.9773 0.9018 1.1892 1.7940 1.3579 0.7909 2.1900 1.3208 0.5206 0.7720 1.5505 2.1132 2.0296 1.1986 1.5472 0.2958 1.7533 2.7105 0.2545 12.3548 0.6389 0.1348 7.9591 1.4319 1.0621 5.1438 1.0865 2.6568 4.2298 3.3142 1.8172 2.1699 0.9927 1.5214 4.8378 3.6371 2.3957 12.1808 2.8747 4.4950 2.7156 1.2747 1.8460 6.2310 2.5529 5.1911 18.0867 4.0494 10.4044 46.5752 1.2250 3.0560 8.1023 5.3754 1.4430 1.9263 9.6856 9.9085 4.3198 5.5774 0.9075 18.3408 0.6375 0.7093 7.2911 10.3841 2.6754 0.1536 4.1110 8.0339 4.7664 20.3826 1.7693 24.0135 5.3893 3.1397 9.5370 6.9035 7.4541 15.7902 8.8078 4.8156 9.7131 14.3833 3.0643 3.3750 17.7957 1.4135 9.0444 8.2790 2.9543 4.4674 1.5060 72.8865 8.2469 25.8514 41.9197 7.8326 1.2354 5.4577 3.9075 23.3853 9.8794 4.4601 26.4575 5.8705 18.8895 100.2189 3.8680 22.2068 2.3685 4.4024 2.2458 32.1473 0.5917 9.4620 4.6528 7.1042 18.4582 1.8691 13.7218 3.2002 8.8661 10.6342 11.0809 6.5868 11.1642 5.1878 12.3150 7.6237 7.7601 16.8000 15.2643 1.4340 9.6475 12.6130 583.5614 12.3871 82.0002 31.1459 319.5266 33.2275 0.6948 1.2608 12.0750 110.3413 35.4503 99.3895 85.7173 60.6901 72.4182 117.5522 503.9255 45.4775 56.2990 71.9215 124.2028 45.4325 63.0190 56.5181 54.2804 37.5992 67.7439 48.9580 77.9149 45.1593 33.0550 34.1070 45.8033 67.1764 131.2290 93.8799 211.5784 93.2336 86.0996 152.3163 58.2988 58.0644 0.7106 0.6822 0.7176 0.7378 0.4813 0.7494 0.7151 0.7476 0.7500 0.7488 0.6692 0.5991 0.7304 0.7032 0.6350 0.6120 0.7419 0.7413 0.6346 0.5863 0.1450 0.7455 0.6629 0.5939 0.4476 0.3021 0.1137 0.3840 0.4158 0.5991 0.4185 0.7117 0.6774 0.6956 0.5040 0.4054 0.2845 0.5685 0.5399 0.3539 0.2317 0.6397 0.3004 0.7305 0.6354 0.4787 0.7117 0.2834 0.1423 0.7483 0.2424 0.1429 0.5917 0.7468 0.4222 0.6790 0.4777 0.2064 0.3962 0.7331 0.1192 0.6711 0.7369 0.6799 0.6999 0.7476 0.2913 0.1960 0.4921 0.5203 0.3417 0.1208 0.5474 0.7303 0.2417 0.7463 0.4501 0.5366 0.6979 0.3125 0.6094 0.6419 0.2672 0.7486 0.3135 0.3774 0.2154 0.2778 0.1349 0.7497 0.6059 0.2904 0.7142 0.5932 0.1462 0.6535 0.2742 0.6708 0.1240 0.2596 0.4983 0.5575 0.3102 0.7371 0.6738 0.4649 0.2134 0.6932 0.7424 0.4386 0.6329 0.1504 0.4283 0.6813 0.5016 0.7099 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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 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 6 6 6 8 7 6 8 6 6 6 8 6 6 6 8 7 6 6 6 6 1 7 1 6 6 6 6 6 6 7 1 9 1 1 1 1 1 1 1 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 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 18.99840 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 1.00783 1.00783 1.00783 1.00783 8327.2003 30422.5456 32510.6636 0.99996 0.00444 -0.00740 -0.00468 0.99946 -0.03248 0.00725 0.03251 0.99944 1 0.01040 0.00285 0.00266 0.21673 0.05932 0.05551 23.01 34.16 41.37 48.01 61.39 73.56 86.08 100.18 108.87 123.90 142.96 154.32 159.82 181.86 190.46 210.78 213.34 226.04 240.32 250.51 283.38 287.25 298.75 317.67 334.66 348.16 361.14 370.27 390.21 410.72 413.46 441.86 477.86 487.86 503.14 521.10 545.17 583.39 603.19 641.27 655.73 664.13 677.14 715.66 727.09 734.14 757.09 784.59 802.37 820.25 836.30 882.91 922.18 925.40 941.51 949.56 989.10 1002.06 1005.40 1052.43 1082.90 1106.56 1151.92 1154.80 1168.87 1187.63 1190.40 1233.23 1244.27 1258.85 1268.11 1271.53 1315.69 1343.65 1352.33 1362.60 1380.20 1402.71 1427.25 1436.11 1445.83 1452.53 1480.86 1488.59 1545.37 1557.16 1562.85 1585.24 1593.96 1620.28 1635.68 1648.32 1651.06 1660.12 1672.28 1677.41 1682.25 1685.26 1698.42 1702.11 1746.97 1757.31 1764.54 1792.59 1796.90 1812.56 1816.25 1836.13 1858.04 1860.12 1869.67 1891.83 1905.05 1920.20 1936.99 1943.25 1949.98 1961.51 1970.74 1992.86 2015.23 2034.81 2071.53 2080.36 2084.40 2091.95 2109.76 2115.26 2118.85 2132.33 2164.07 2176.84 2185.03 2193.79 2225.10 2231.83 2250.22 2256.12 2260.98 2287.81 2293.38 2312.27 2316.15 2319.40 2323.65 2338.36 2350.29 2353.18 2360.24 2361.36 2362.41 2365.05 2375.51 2376.19 2381.34 2385.66 2404.35 2405.94 2416.19 2543.86 2551.69 2596.28 2600.69 2623.64 2657.07 2697.30 2816.63 2938.91 4612.46 4632.37 4643.78 4646.84 4648.54 4656.70 4682.14 4689.33 4705.44 4713.11 4714.89 4720.76 4726.72 4731.06 4749.83 4759.38 4763.54 4766.03 4771.44 4776.44 4786.61 4790.67 4813.65 4827.79 4844.71 4852.77 4864.70 4888.70 4901.29 4920.29 4923.57 4958.69 5416.61 0.621834 0.653873 0.654818 0.556514 -1657.190272 -1657.158232 -1657.157288 -1657.255592 3.297132D-04 MUNgauss RevisionA2.0 retrievium 04-Feb-2020 DUDE Cc1ccccc1[C@@]2(CC(=O)N(C2=O)CCCOC)CC(=O)N(C)CC[C@H]3[NH+]=c4ccc(cc4=[NH+]3)F C64131533 RHF 6-31G(d) (6D,10F) C1 496.248584 |X|Y|Z| 55.245249 43.666431 120.173513 66.183612 25 6 7 21 4 |36.858105| |12.544498|36.858105| |7.705769|13.702498|36.858105| |5.046695|7.847131|13.776760|36.858105| |4.419396|6.812200|7.996056|13.808405|36.858105| |4.959409|7.915170|6.957708|7.974545|13.762674|36.858105| |7.338392|13.546002|7.923298|6.802705|7.850451|13.678791|36.858105| |6.172544|7.398212|4.964734|4.384487|4.968730|7.485648|12.329771|36.858105| |5.850195|5.993514|4.277839|3.713640|3.983178|5.273073|7.415474|12.269270|36.858105| |4.013577|4.265237|3.380548|3.143231|3.501240|4.533352|5.349760|7.797264|12.615092|36.858105| |3.399112|3.480538|2.879949|2.694412|2.935113|3.587187|4.067824|5.290695|7.856482|16.023700|73.516695| |3.621612|4.098896|3.330455|3.239949|3.816400|5.165520|5.554818|7.995047|8.117456|13.785682|14.903363|53.358707| |4.137485|4.913512|3.846830|3.734006|4.531349|6.740249|7.454507|12.395033|7.938799|8.347661|9.959269|18.947794|36.858105| |3.545975|4.200387|3.476798|3.499365|4.329101|6.123165|5.987843|7.822418|5.358106|5.602903|7.619846|11.447275|15.944206|73.516695| |2.838160|3.147280|2.698981|2.696639|3.161463|3.982631|3.991526|5.055622|5.094823|7.667511|11.926374|17.814261|7.742053|12.078112|36.858105| |2.605623|2.770443|2.374912|2.331546|2.651972|3.251994|3.376050|4.368816|4.415220|6.072233|10.262693|10.663234|6.049533|10.283051|12.438477|36.858105| |2.175041|2.309068|2.039485|2.033500|2.302339|2.721361|2.738159|3.314430|3.274216|4.125843|7.243428|6.818580|4.318911|7.982265|7.358014|12.584209|36.858105| |2.055359|2.132937|1.884567|1.857588|2.064723|2.410248|2.472570|2.993115|2.955682|3.533546|6.252185|5.465226|3.676693|6.831010|5.047676|8.078548|13.317496|73.516695| |1.810332|1.882291|1.693103|1.684573|1.865547|2.132356|2.151609|2.513305|2.446364|2.824058|4.984763|4.332047|3.012407|5.731114|3.874128|5.227562|8.003261|23.943017|36.858105| |5.856977|6.010020|4.288993|3.735520|4.025140|5.361998|7.529568|12.242744|7.230019|5.340789|7.331441|7.426913|7.752204|11.885693|4.068145|3.941706|3.114594|5.280165|2.522127|36.858105| |4.155333|4.101783|3.205121|2.905561|3.147394|3.990984|4.897343|7.420816|5.924274|5.189871|7.490696|7.304682|6.819180|11.273233|4.318251|4.672750|3.633060|6.432772|2.982938|12.553152|36.858105| |3.741543|3.678745|2.918822|2.671705|2.904309|3.656189|4.384879|6.737570|6.468532|6.374964|9.363056|8.537866|6.865617|10.549083|5.095774|5.924135|4.267093|7.559528|3.323732|8.002489|15.616611|73.516695| |3.444049|3.383298|2.782162|2.566327|2.753420|3.336606|3.858149|5.033109|4.176302|3.831968|5.866894|5.502531|4.917672|9.086693|3.551157|3.974106|3.348064|6.230667|2.999422|7.648550|14.099753|15.269284|53.358707| |3.390695|3.347695|2.828458|2.616726|2.766509|3.250444|3.683176|4.341427|3.508659|3.140359|4.849061|4.524027|4.091847|7.812540|2.944285|3.144024|2.764020|5.077501|2.558144|6.524175|7.692315|9.468554|17.695884|36.858105| |2.761969|2.741917|2.329585|2.198069|2.373818|2.818286|3.114749|3.933849|3.485545|3.451312|5.511268|5.033098|4.186243|7.957997|3.506856|4.233336|3.755655|7.519267|3.625416|5.035061|7.942371|12.748974|17.790873|7.652201|36.858105| |2.517727|2.425287|2.079000|1.945662|2.063944|2.402623|2.670920|3.319184|3.172727|3.181017|5.319652|4.397768|3.424723|6.169635|3.115273|3.833926|3.467683|7.270862|3.514418|4.028270|5.861653|10.912430|10.156609|5.264598|12.342691|36.858105| |2.533269|2.427981|2.068039|1.929713|2.048809|2.398027|2.683764|3.409001|3.480309|3.645867|6.331977|4.851748|3.551169|6.108979|3.478338|4.478339|3.907958|8.294693|3.753701|3.876226|5.515622|12.257478|7.734741|4.064303|7.310897|12.384153|36.858105| |2.906963|2.754421|2.296294|2.115411|2.243265|2.665434|3.061846|4.049478|4.275711|4.432335|7.612238|5.656504|4.107007|6.760531|3.865103|4.863784|3.931063|7.776705|3.442036|4.600135|6.798682|17.363204|8.399252|4.241742|6.778697|8.769737|17.586979|0.500000| |2.263316|2.134305|1.847818|1.720776|1.800421|2.062168|2.295059|2.803887|2.945647|3.056199|5.505828|3.955706|2.845251|4.859787|2.856181|3.515277|3.201052|6.720175|3.215654|3.111202|4.024232|8.404273|5.624694|3.263882|4.887417|7.615633|12.969874|0.252306|53.358707| |2.275348|2.108464|1.829560|1.690271|1.748810|1.986927|2.227323|2.683482|2.822070|2.837963|5.085074|3.628906|2.645953|4.502715|2.568952|3.046252|2.766156|5.630235|2.760633|3.019471|3.805486|7.615863|5.377169|3.221953|4.439684|6.691602|8.760107|0.204605|25.771029|0.500000| |2.027568|1.938070|1.698792|1.598993|1.679405|1.909592|2.089423|2.513080|2.664948|2.855609|5.286563|3.721779|2.608349|4.473460|2.782567|3.466779|3.288931|7.085344|3.432556|2.688592|3.349798|7.011689|4.597171|2.750557|3.987571|5.508128|8.283295|0.179233|20.321868|0.261571|36.858105| |1.802831|1.718860|1.527494|1.441704|1.502980|1.684024|1.827630|2.142585|2.286988|2.436599|4.573967|3.157147|2.203129|3.778885|2.369476|2.843260|2.762377|5.778087|2.932694|2.257920|2.693067|5.465732|3.685834|2.299171|3.084404|3.975345|5.124039|0.123082|10.446386|0.187548|13.253188|36.858105| |1.661232|1.604051|1.437412|1.369270|1.433954|1.599345|1.713029|1.988382|2.120937|2.303524|4.373499|3.017643|2.078121|3.582459|2.320621|2.784181|2.798575|5.876277|3.053365|2.054173|2.408915|4.878357|3.270235|2.063363|2.730445|3.336575|4.156464|0.102432|7.227403|0.129241|8.115487|14.254475|36.858105| |1.670665|1.638787|1.468664|1.411316|1.494223|1.675105|1.775581|2.070579|2.196703|2.452407|4.677007|3.275798|2.222952|3.858601|2.603488|3.216221|3.367811|7.323299|3.810292|2.108460|2.481654|5.087744|3.341933|2.090806|2.829658|3.342599|4.185945|0.103273|6.493897|0.111171|6.927424|7.713444|12.860003|36.858105| |1.819890|1.801117|1.600360|1.540974|1.648006|1.871002|1.982755|2.354594|2.477945|2.821617|5.336969|3.838137|2.587859|4.515655|3.115223|4.079068|4.350207|10.234357|4.998644|2.397420|2.891054|6.066875|3.876238|2.365114|3.370927|3.957593|5.160351|0.124498|7.288799|0.117935|7.510080|6.413721|7.598729|14.201468|36.858105| |2.036829|1.993101|1.745785|1.662644|1.773785|2.036121|2.197670|2.672279|2.804693|3.136986|5.815799|4.220410|2.899519|5.028303|3.299906|4.404588|4.329034|10.150722|4.632796|2.798879|3.528910|7.607459|4.771842|2.803622|4.285041|5.474038|8.312605|0.180486|11.668277|0.165207|12.766288|7.463250|6.832454|8.193423|13.405037|36.858105| |2.279327|2.245037|1.939003|1.842986|1.983677|2.317062|2.520308|3.158332|3.239090|3.623701|6.472386|4.991350|3.492923|6.103335|3.858778|5.434726|5.042476|12.043874|5.035777|3.378085|4.527970|10.174705|6.135279|3.400452|5.847279|7.487917|13.043145|0.255622|11.621150|0.165181|8.532460|5.316436|4.721177|5.336131|7.724949|14.892608|53.358707| |2.291844|2.307828|1.995706|1.918519|2.095855|2.470068|2.644867|3.331288|3.341844|3.859297|6.780978|5.594640|3.879905|6.933737|4.547993|7.060438|6.778290|18.171851|6.459888|3.486438|4.643798|10.429106|6.188720|3.434238|5.916036|6.377694|8.573649|0.203478|8.005266|0.126373|5.913653|4.225373|3.984557|4.710988|6.896478|9.467468|25.205768|0.500000| |1.524503|1.504953|1.362364|1.318069|1.395338|1.550358|1.625696|1.865541|1.974972|2.208862|4.227938|2.968979|2.008083|3.499367|2.385012|2.865512|3.079976|6.471593|3.529516|1.876601|2.159181|4.356171|2.900322|1.849964|2.415086|2.750981|3.285323|0.083441|4.913218|0.087810|4.729427|5.347246|8.206653|14.817059|8.333898|5.396068|5.496524|0.105074|97.533100| |17.523387|8.812462|6.384695|4.485182|3.974681|4.400614|6.107735|5.462974|4.870925|3.528474|5.375652|4.462838|3.823341|6.062873|2.634705|2.482119|2.098692|3.580988|1.786998|6.044495|4.289895|6.578784|5.023523|3.793793|2.891388|2.620106|2.567266|0.081025|3.122427|0.064675|2.032147|1.803333|1.650242|1.649640|1.794563|2.023180|3.092450|0.063067|3.376318|0.500000| |17.624896|8.687554|5.674329|4.168047|3.885720|4.545360|6.723234|6.804203|7.501389|4.715978|7.081426|5.443555|4.422980|6.495335|3.071899|2.845830|2.329355|3.920720|1.915724|6.309054|4.622472|7.659957|5.004352|3.447687|2.950437|2.736168|2.822363|0.092222|3.426432|0.070309|2.239843|1.978150|1.811049|1.816244|1.982962|2.239722|3.419945|0.069616|3.702941|0.301994|0.500000| |17.600410|8.882034|7.387626|4.825643|4.012500|4.207656|5.568727|4.686861|4.735032|3.475600|5.437065|4.248066|3.427829|5.317928|2.520487|2.315159|1.964633|3.306112|1.653261|4.397809|3.381165|5.570254|3.941292|2.870807|2.398183|2.228906|2.256118|0.071015|2.801588|0.057786|1.863574|1.681107|1.556404|1.558407|1.680036|1.860411|2.789075|0.056999|3.221945|0.303862|0.304489|0.500000| |7.287895|8.955566|17.715193|8.965215|5.680595|4.995654|5.642811|4.054322|3.692993|2.960492|4.609652|3.894050|3.213990|5.217942|2.371818|2.126452|1.846910|3.067290|1.560082|3.690602|2.859401|4.660896|3.445452|2.596512|2.138783|1.940251|1.928832|0.059187|2.380237|0.048497|1.608812|1.458805|1.371016|1.390533|1.502382|1.635886|2.449739|0.050994|2.908530|0.174843|0.147231|0.229360|0.500000| |4.135677|5.611897|8.924620|17.730272|8.909175|5.654718|4.916494|3.515254|3.089868|2.690914|4.203922|3.761341|3.102066|5.266156|2.371186|2.073750|1.840492|3.005021|1.549364|3.103080|2.504782|4.129111|3.075674|2.322868|1.967124|1.758871|1.741351|0.052522|2.136545|0.042949|1.466906|1.333664|1.271348|1.307975|1.418914|1.520341|2.273174|0.048158|2.763587|0.105171|0.096766|0.115103|0.216462|0.500000| |3.537748|4.921568|5.663372|8.909456|17.731277|8.938317|5.616278|4.074012|3.376248|3.118154|4.752125|4.719185|3.997307|7.075360|3.006989|2.519428|2.237600|3.549746|1.826484|3.410219|2.795680|4.641803|3.402523|2.518412|2.206451|1.923036|1.905750|0.057269|2.289691|0.045246|1.582968|1.423909|1.368147|1.432575|1.577860|1.681254|2.544288|0.055156|3.029587|0.090529|0.088745|0.091253|0.124510|0.213610|0.500000| |4.026349|5.625565|5.001382|5.695795|9.039567|17.779142|8.879500|6.951531|4.958654|4.684667|6.567804|8.025698|7.933833|13.930306|4.665578|3.668302|3.072618|4.724312|2.345827|5.071360|4.041515|6.704678|4.632004|3.253383|2.947320|2.477937|2.476651|0.075840|2.866612|0.055727|1.964971|1.724561|1.648496|1.746933|1.970161|2.131710|3.324018|0.073656|3.643282|0.102172|0.107228|0.096345|0.108342|0.124945|0.219252|0.500000| |6.402544|6.642892|4.792238|4.063745|4.216075|5.334747|7.397934|8.658958|17.618586|9.008063|12.083521|8.616166|6.062765|7.876900|4.349541|3.685237|2.861829|4.583686|2.181834|5.580099|4.511119|8.423840|4.670876|3.023480|2.920536|2.699167|2.930569|0.096913|3.494449|0.069118|2.357878|2.071213|1.937602|1.996992|2.214982|2.455938|3.756451|0.078683|4.093439|0.137029|0.226016|0.150889|0.115171|0.093574|0.097951|0.132690|0.500000| |5.766477|5.172267|3.793743|3.237856|3.355668|4.204061|5.707704|8.558215|17.638757|9.016574|12.567764|8.320702|6.026823|8.008842|4.343359|4.104699|3.100435|5.162208|2.402123|7.030388|6.286496|12.638261|6.004885|3.627119|3.653156|3.450955|3.865920|0.137088|4.496378|0.089122|2.922332|2.490798|2.267636|2.307873|2.586086|2.991181|4.691552|0.095597|4.612939|0.138959|0.224354|0.130926|0.094773|0.076592|0.080280|0.110041|0.302486|0.500000| |2.690654|3.059393|2.683146|2.756450|3.320182|4.158004|3.917626|4.664004|4.340103|5.726028|8.827572|12.618556|7.301487|13.262728|17.639863|8.774522|6.892796|8.379559|3.838470|3.827024|3.953674|7.763359|4.592379|2.890215|3.337327|2.891142|3.097115|0.093049|3.489833|0.064609|2.497499|2.150265|2.115396|2.369174|2.806763|2.938394|4.643494|0.111873|4.943683|0.069983|0.078810|0.066606|0.065102|0.067600|0.089925|0.142774|0.106328|0.102860|0.500000| |2.653180|2.913741|2.544615|2.548430|2.943025|3.578222|3.569394|4.293861|4.645581|7.119221|12.809232|12.564656|5.767463|8.923698|17.650390|8.739441|6.313957|7.921589|3.532211|3.456289|3.591120|7.481895|4.096744|2.548752|2.981138|2.746487|3.110626|0.095461|3.610230|0.066678|2.634070|2.292935|2.277145|2.562259|3.010774|3.094600|4.717814|0.110170|5.367259|0.067726|0.079951|0.066743|0.062786|0.062972|0.078432|0.113151|0.116163|0.111301|0.301146|0.500000| |2.594867|2.684487|2.292528|2.215223|2.465493|2.981452|3.182291|4.130831|4.518534|6.404659|12.117839|9.375030|5.187997|8.313530|8.896937|17.546329|8.885197|12.832622|4.734474|3.752370|4.486877|10.686108|5.146589|2.970239|4.018753|3.891995|4.908123|0.152385|5.347982|0.093249|3.944510|3.204186|3.135052|3.639207|4.665863|5.082216|8.301951|0.207074|7.163649|0.068357|0.080241|0.064504|0.057648|0.054936|0.064553|0.090402|0.104787|0.121504|0.173935|0.218670|0.500000| |2.788430|2.954751|2.495733|2.429393|2.762888|3.441541|3.641400|4.906422|4.642280|5.857568|9.184886|10.363776|6.942705|12.454268|9.013460|17.640066|9.093129|13.632897|5.111640|4.694593|6.026842|13.872398|6.904510|3.806735|5.493607|4.645199|5.244075|0.159220|5.230858|0.092233|3.635237|2.901786|2.768443|3.126050|3.963853|4.552245|8.295391|0.226240|6.157107|0.074934|0.084469|0.067716|0.061834|0.059608|0.072170|0.107555|0.104281|0.121698|0.207000|0.175391|0.301875|0.500000| |2.129060|2.298303|2.051412|2.076114|2.382330|2.805996|2.747543|3.245096|3.077848|3.748173|6.355446|6.435084|4.314033|8.494332|6.775305|8.854032|17.573591|16.494790|7.571757|3.057695|3.481997|6.913834|4.452366|2.775111|3.636134|3.225664|3.440996|0.095687|3.858009|0.069306|2.863975|2.440620|2.460137|2.894435|3.603113|3.616264|5.718590|0.150585|6.048905|0.057308|0.062375|0.053397|0.051368|0.052305|0.065143|0.089824|0.075519|0.079773|0.207154|0.157079|0.173651|0.214325|0.500000| |2.018723|2.136453|1.909278|1.910224|2.148207|2.494998|2.495143|2.945268|2.995531|3.799701|6.979029|6.009056|3.704124|6.650632|6.430050|8.726199|17.567280|16.456573|6.952669|2.725417|3.085685|6.386139|3.868406|2.399539|3.126286|2.981349|3.396463|0.095113|3.970214|0.070673|3.073001|2.664671|2.768946|3.388255|4.268944|3.986678|5.884468|0.149733|7.203681|0.053770|0.060025|0.051267|0.048331|0.048402|0.058383|0.077524|0.074493|0.078900|0.166329|0.176093|0.211976|0.174747|0.300629|0.500000| |1.812905|1.906205|1.723483|1.729847|1.931030|2.204153|2.192562|2.532350|2.400784|2.731539|4.713324|4.291508|3.072044|6.049318|3.811450|4.880879|7.165343|16.421876|17.589947|2.552608|2.983079|5.731701|4.139132|2.644052|3.655054|3.372964|3.429091|0.088434|3.955107|0.070617|3.005083|2.582786|2.640375|3.158958|3.951065|3.845336|5.862792|0.150293|6.634138|0.049895|0.052766|0.045883|0.043952|0.044225|0.052876|0.068043|0.059617|0.064775|0.109717|0.094643|0.117026|0.137700|0.226677|0.166267|0.500000| |1.695044|1.764980|1.601096|1.600295|1.768782|2.001337|2.004630|2.306521|2.278589|2.650152|4.764248|4.021859|2.741557|5.136031|3.644024|4.669503|7.179618|16.411948|17.578717|2.272673|2.619043|5.180208|3.530842|2.248814|3.027104|2.973658|3.221309|0.083654|3.896282|0.069151|3.108964|2.751462|2.943305|3.733318|4.709800|4.090504|5.716455|0.141252|8.164019|0.046207|0.049756|0.043344|0.041107|0.041103|0.048391|0.061050|0.057242|0.061894|0.100586|0.096011|0.120700|0.120014|0.187707|0.205759|0.299523|0.500000| |1.740079|1.786551|1.608481|1.589498|1.740965|1.976464|2.015155|2.347493|2.292967|2.589045|4.585574|3.867082|2.731670|5.155096|3.307095|4.358136|5.779895|16.691368|17.603418|2.407653|2.878058|5.658287|4.041591|2.542674|3.689645|3.735748|3.942911|0.096566|4.708375|0.081898|3.763032|3.217399|3.366640|4.235339|5.583208|5.118506|7.281911|0.179548|8.694429|0.048079|0.051182|0.044252|0.041446|0.040734|0.047174|0.059592|0.056915|0.063553|0.089858|0.084418|0.114981|0.122840|0.150050|0.143918|0.300202|0.299627|0.500000| |7.289479|6.324743|4.437335|3.662382|3.721320|4.647523|6.636973|8.708936|6.637108|4.666696|6.724935|6.022985|5.582285|8.645482|3.415838|3.339708|2.706921|4.663449|2.258320|17.591103|8.971253|11.553116|8.855073|6.010716|4.417605|3.779418|3.645945|0.120305|4.142063|0.084282|2.604820|2.215849|1.997657|2.014835|2.251806|2.629555|4.216742|0.086295|4.038067|0.227808|0.224090|0.144931|0.109865|0.085389|0.087145|0.116992|0.152244|0.199529|0.088769|0.083700|0.091207|0.106717|0.073187|0.067134|0.062947|0.057057|0.060658|0.500000| |5.261075|5.827389|4.400678|3.958994|4.338330|5.716417|7.317111|8.891391|5.408886|4.346142|6.157355|6.423304|6.864850|12.236527|3.715301|3.570844|2.939695|4.986197|2.441129|17.647497|8.913169|10.637957|9.799204|7.370203|4.818168|3.709446|3.419426|0.107295|3.787313|0.075140|2.435358|2.068529|1.897858|1.954516|2.214012|2.547251|4.146632|0.088371|3.949011|0.157489|0.143483|0.112946|0.104056|0.091269|0.102493|0.150820|0.126201|0.141271|0.101660|0.087725|0.091964|0.117703|0.082439|0.071415|0.069946|0.061052|0.064708|0.303658|0.500000| |3.192158|3.300383|2.846951|2.706509|2.920588|3.424224|3.718372|4.225629|3.311151|3.023282|4.642795|4.514883|4.177470|8.484121|2.981591|3.131006|2.801379|5.071230|2.594496|5.920479|6.403950|8.328781|12.225137|17.577932|6.555718|4.455473|3.561712|0.101958|3.926533|0.077963|2.504759|2.116933|1.932982|1.985249|2.251907|2.611582|4.281637|0.090801|3.995567|0.097633|0.088201|0.075603|0.071785|0.066831|0.074747|0.097073|0.080219|0.091719|0.083583|0.071161|0.080070|0.105102|0.080137|0.067267|0.076134|0.063325|0.070838|0.143446|0.205759|0.500000| |2.939522|2.852709|2.471178|2.297475|2.399735|2.746180|3.057526|3.515531|2.993924|2.733060|4.333981|3.882726|3.360708|6.362206|2.597430|2.817292|2.546380|4.790086|2.461933|4.852544|5.760595|7.922442|12.456211|17.626912|7.230878|5.464244|3.983405|0.110641|4.494848|0.092069|2.767084|2.329136|2.075652|2.079280|2.327930|2.763860|4.485285|0.090544|4.134488|0.091270|0.083178|0.070953|0.064164|0.057592|0.061469|0.076404|0.072973|0.087106|0.070768|0.063466|0.074918|0.092958|0.070756|0.062001|0.070430|0.060153|0.069297|0.130867|0.144919|0.300128|0.500000| |3.959880|3.793375|3.162835|2.846383|2.936522|3.423164|4.014417|4.584194|3.675494|3.140635|4.823034|4.405865|3.998078|7.322483|2.791679|2.892958|2.515201|4.538440|2.284391|7.257891|7.133202|8.797965|12.352711|17.672405|5.629609|4.385240|3.622483|0.108248|4.099771|0.084173|2.547630|2.163529|1.941103|1.949627|2.176807|2.555661|4.125183|0.084187|3.903805|0.129075|0.109836|0.091587|0.081170|0.069784|0.072944|0.091936|0.089169|0.106545|0.075714|0.068039|0.076964|0.094821|0.069777|0.061619|0.065077|0.056681|0.062786|0.207179|0.232178|0.299968|0.304105|0.500000| |2.518173|2.515686|2.183556|2.080970|2.239717|2.605689|2.817166|3.388576|2.975315|2.928053|4.716761|4.299400|3.587812|7.015264|3.044886|3.569590|3.328548|6.674561|3.412041|4.269716|5.865480|9.169211|12.638461|7.777507|17.640034|9.013313|5.504914|0.138428|5.631750|0.107324|3.491495|2.803055|2.510601|2.590835|3.024612|3.698105|6.417911|0.133171|5.054630|0.074030|0.073174|0.061417|0.056040|0.052233|0.058420|0.075660|0.071126|0.085488|0.082714|0.072949|0.093181|0.123168|0.092121|0.078180|0.098074|0.079462|0.098010|0.106517|0.120160|0.197491|0.232786|0.151934|0.500000| |2.669041|2.721799|2.320413|2.223943|2.448980|2.941650|3.178577|4.062171|3.586793|3.731152|5.934582|5.701808|4.685370|9.237650|4.139223|5.279951|4.701769|9.544451|4.422568|4.848037|7.365476|13.143474|12.413790|5.982795|17.588946|8.758121|6.887990|0.179378|6.207463|0.110858|3.943481|3.047986|2.772457|2.975515|3.661161|4.570372|8.875399|0.206765|5.736242|0.075942|0.079162|0.064541|0.058601|0.055178|0.063768|0.087788|0.082952|0.101239|0.109980|0.094934|0.132541|0.205004|0.127065|0.103832|0.125317|0.099205|0.121471|0.113442|0.129193|0.159374|0.150174|0.129822|0.305544|0.500000| |2.591473|2.435145|2.087682|1.929713|2.015306|2.322563|2.616788|3.198783|3.078101|2.975406|4.979653|4.011293|3.150259|5.585804|2.772456|3.265716|2.934742|5.931111|2.929875|3.980772|5.535846|9.727877|9.692064|5.442439|8.841750|17.562794|8.961013|0.209376|9.739374|0.203363|4.980027|3.786761|3.114688|3.005583|3.403620|4.526860|7.586471|0.132873|5.639123|0.076166|0.078284|0.063902|0.054666|0.048577|0.051862|0.065371|0.073595|0.094982|0.071667|0.068908|0.092989|0.106766|0.076519|0.071728|0.078660|0.070750|0.085936|0.108722|0.101584|0.121579|0.165475|0.130698|0.206635|0.173788|0.500000| |2.207904|2.146944|1.874650|1.774487|1.883068|2.160622|2.351432|2.835187|2.713837|2.762882|4.690618|3.865474|2.973697|5.455082|2.822992|3.477657|3.325639|7.232459|3.673556|3.329628|4.489991|8.286384|7.576868|4.425484|8.822667|17.556076|8.889081|0.173670|9.419292|0.167988|5.514164|4.083204|3.469270|3.485453|4.099538|5.530554|9.512956|0.167180|6.454460|0.063689|0.065799|0.055024|0.048828|0.044967|0.049281|0.062252|0.065461|0.080549|0.073937|0.069970|0.097239|0.113567|0.086757|0.080220|0.097769|0.085640|0.113210|0.087072|0.087663|0.109307|0.132527|0.103015|0.230447|0.202489|0.302075|0.500000| |1.763751|1.664138|1.484050|1.394189|1.441424|1.604278|1.747720|2.028009|2.165784|2.260555|4.221572|2.906005|2.048455|3.506052|2.146399|2.511486|2.416829|4.932680|2.533620|2.151885|2.529343|5.031615|3.480220|2.209734|2.849003|3.651618|4.463723|0.110470|9.087439|0.188411|8.676237|17.751159|8.975029|5.499772|4.711434|5.394014|5.855534|0.097861|9.647224|0.049248|0.053685|0.045955|0.039631|0.035934|0.037871|0.045277|0.054964|0.065994|0.054436|0.057811|0.077685|0.071593|0.060244|0.064794|0.063248|0.066308|0.076484|0.059523|0.054874|0.056190|0.062719|0.058378|0.072775|0.076606|0.100987|0.103447|0.500000| 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