Version2.0 2020-01-31T05:54:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(n2c3c(nc2n1c4ccc(cc4)F)n(c(=O)n(c3=O)C[C@@H](C)CNc5ccccc5O)C)C C10048579 RHF 6-31G(d) (6D,7F) Cc1c(n2c3c(nc2n1c4ccc(cc4)F)n(c(=O)n(c3=O)C[C@@H](C)CNc5ccccc5O)C)C C01[X(C26H27F1N6O3)] 183 C1 594 C[C@H](Cn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccc(cc1)F)CNc1ccccc1O C[C@H](Cn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccc(cc1)F)CNc1ccccc1O C[C@@H](CNc1ccccc1O)CN2C(=O)N(C)c3nc4n(c(C)c(C)n4c3C2=O)c5ccc(F)cc5 InChIKey=KTGCYGCSKSSFKO-HNNXBMFYSA-N InChI=1S/C26H27FN6O3/c1-15(13-28-20-7-5-6-8-21(20)34)14-31-24(35)22-23(30(4)26(31)36)29-25-32(16(2)17(3)33(22)25)19-11-9-18(27)10-12-19/h5-12,15,28,34H,13-14H2,1-4H3/t15-/m0/s1 InChI=1/C26H27FN6O3/c1-15(13-28-20-7-5-6-8-21(20)34)14-31-24(35)22-23(30(4)26(31)36)29-25-32(16(2)17(3)33(22)25)19-11-9-18(27)10-12-19/h5-12,15,28,34H,13-14H2,1-4H3/t15-/m0/s1 Cc1c(n2c3c(nc2n1c4ccc(cc4)F)n(c(=O)n(c3=O)C[C@@H](C)CNc5ccccc5O)C)C C01[X(C26H27F1N6O3)] 183 C01 594 C[C@H](Cn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccc(cc1)F)CNc1ccccc1O C[C@H](CN1C(=O)[C@@H]2[C@@H](N(C1=O)C)N[C@@H]1N2C(=C(N1c1ccc(cc1)F)C)C)CNc1ccccc1O C[C@@H](CNc1ccccc1O)CN2C(=O)[C@@H]3[C@H](N[C@@H]4N3C(=C(C)N4c5ccc(F)cc5)C)N(C)C2=O InChIKey=GRXCHKFVOWSBDO-LPVCTFIXSA-N InChI=1S/C26H31FN6O3/c1-15(13-28-20-7-5-6-8-21(20)34)14-31-24(35)22-23(30(4)26(31)36)29-25-32(16(2)17(3)33(22)25)19-11-9-18(27)10-12-19/h5-12,15,22-23,25,28-29,34H,13-14H2,1-4H3/t15-,22-,23+,25-/m0/s1 InChI=1/C26H31FN6O3/c1-15(13-28-20-7-5-6-8-21(20)34)14-31-24(35)22-23(30(4)26(31)36)29-25-32(16(2)17(3)33(22)25)19-11-9-18(27)10-12-19/h5-12,15,22-23,25,28-29,34H,13-14H2,1-4H3/t15-,22-,23+,25-/m0/s1 3661.4615450992 -1651.0653082 1-A 30893.9700 129 465 594 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490.21287 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 10.1690 10.8211 12.8517 17.3240 34.8592 40.5387 47.6726 57.3188 66.8968 77.3077 85.2921 98.4115 108.7307 111.9375 143.3972 147.2303 151.0457 161.9066 169.2591 175.6656 201.8839 224.9786 230.4642 237.2158 253.9395 271.0035 275.5799 288.7113 325.6664 331.3262 340.1394 344.3205 369.6107 370.6764 376.5936 400.2587 416.0903 429.1025 441.8884 454.3653 470.1110 473.2196 490.5732 502.7361 517.2880 530.6067 548.1828 584.1321 603.7545 611.7941 624.2695 635.4159 639.1178 667.7626 676.6705 680.9026 707.8509 711.0688 726.3369 775.6559 789.5990 809.1407 813.8632 838.6029 847.7552 852.5105 857.2349 861.5040 866.4651 873.0203 901.9081 909.7018 929.5940 940.7869 950.5173 972.7321 977.0941 987.4521 1004.8847 1013.5518 1041.1706 1065.9941 1072.8247 1075.9230 1097.2714 1101.9433 1110.3185 1117.9638 1132.3180 1154.8761 1161.3401 1163.9229 1179.7853 1183.1896 1195.6901 1198.0562 1206.4622 1219.0633 1227.1497 1233.7364 1266.6833 1274.2572 1275.0387 1276.2803 1278.0336 1299.3267 1314.9669 1332.2749 1344.2424 1374.9257 1390.2903 1390.3548 1399.1238 1413.9452 1423.0490 1434.6161 1434.7367 1446.3389 1474.4275 1488.9323 1493.0803 1496.6700 1527.3574 1547.3925 1560.0119 1568.7042 1571.7176 1577.3891 1579.4562 1589.8122 1607.1617 1612.3857 1620.5599 1620.9467 1624.1725 1626.9434 1634.0348 1636.4372 1640.1535 1642.4903 1646.3983 1647.9277 1663.8053 1665.9742 1678.4183 1678.7618 1704.9919 1768.2889 1784.0529 1793.0218 1795.6589 1819.0875 1821.3648 1858.4047 1900.6430 1950.8003 3148.8198 3208.5973 3215.2423 3234.5563 3245.8907 3255.6220 3257.7114 3267.3310 3269.0466 3283.5627 3291.7897 3300.3925 3308.7670 3320.0819 3327.3948 3347.8175 3352.1099 3362.5817 3376.0033 3382.1867 3388.7805 3389.5050 3393.8468 3408.7711 3409.3719 3787.6617 4018.4772 4.0798 5.4867 7.0710 5.7600 5.7206 7.1982 5.9044 3.6571 4.6116 3.0624 2.9380 1.5099 2.7792 4.1448 5.7842 1.0427 4.5942 1.3502 2.7079 3.0469 5.0407 4.4917 4.5910 2.6503 2.8772 3.9807 2.3215 2.8921 2.9008 5.2178 3.6401 4.1166 5.4510 4.8659 4.2799 5.0879 4.2375 7.5797 4.3977 3.4054 3.0027 3.0267 3.8395 5.3508 3.0912 5.9002 3.8167 3.0277 3.8596 4.0291 6.0037 1.5168 3.6624 4.6699 4.6302 5.2961 5.4455 6.5402 4.4674 11.7081 4.5315 3.4073 11.1011 4.6224 1.9172 3.5959 3.2095 4.4618 2.0891 3.4375 6.2117 3.7626 1.2413 2.0922 2.4846 1.5140 2.0799 3.8637 1.5097 2.1327 2.0150 1.4770 2.3946 1.7711 1.3435 1.2937 2.6851 2.0190 2.2316 2.4088 1.3779 2.7708 1.4896 1.6645 2.4687 2.6044 2.7344 1.9740 2.6598 2.6325 1.2759 1.1979 1.8380 3.8962 4.4487 1.3047 2.0830 2.1619 3.6581 4.3162 2.4539 2.6789 1.3691 3.1126 7.4845 1.2876 1.2561 6.9616 2.9765 1.9396 1.3833 4.7538 1.3333 1.3294 1.6565 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0.9531 0.9256 1.9503 1.4867 1.6858 1.8929 1.0949 2.2116 1.2216 1.3729 2.0794 2.2025 2.3450 1.7285 2.3599 2.3608 1.2062 1.1460 1.7605 3.7393 4.2812 1.2978 2.1221 2.2609 3.8946 4.8074 2.7946 3.0511 1.5790 3.6663 8.9301 1.5614 1.5234 8.5803 3.8124 2.5334 1.8169 6.2739 1.8325 1.8754 2.3752 4.3712 2.4008 2.0028 2.2420 2.2263 2.3271 2.7865 1.6129 2.9239 1.6188 1.8987 1.9081 1.8242 1.6559 1.8960 2.3515 2.4450 1.9830 1.7880 4.0595 4.3907 5.4840 19.5640 19.3858 13.5065 10.1313 11.3666 11.4802 16.8351 25.2459 24.9269 6.2660 6.2973 6.3299 6.3851 6.7499 6.8300 6.4645 6.9376 6.9239 6.9864 6.7863 7.0792 7.1155 7.1452 7.2258 7.1915 7.3189 7.2624 7.4210 7.3822 7.3833 7.3919 7.4422 7.5067 7.5106 9.0832 10.1325 0.0145 0.1416 0.1650 0.1655 0.4963 0.2128 0.5314 0.1133 0.2595 1.0821 1.7375 0.9545 0.4206 0.0763 6.0286 0.0172 1.8884 0.0225 1.1648 2.4310 5.7667 0.6807 0.6687 1.1976 0.8287 3.4260 1.6780 0.5795 0.1321 4.9828 5.3972 2.5819 1.5559 9.4562 5.1583 7.9042 9.6841 1.7448 8.0817 20.7489 15.8357 0.0026 0.7949 0.2612 5.6351 8.7144 21.6368 6.9710 7.7670 15.8367 25.1416 61.6589 25.0695 16.1336 49.3252 1.6693 1.6908 0.4562 9.8655 0.0335 6.0491 2.7169 19.6492 3.1298 44.3473 29.6008 72.8748 18.6383 17.3185 67.2556 7.7706 7.4663 0.0238 27.2025 20.8296 4.2314 12.7592 13.7798 11.9266 20.3402 19.3054 2.5561 1.9736 2.1682 0.0014 0.2307 3.4662 10.4537 8.7342 8.8083 0.2607 75.9316 0.0754 3.7551 56.2683 15.5547 48.1574 29.0887 11.9020 10.5557 2.1323 38.9917 7.0098 4.0574 7.9835 23.6298 16.8753 115.6741 267.4402 11.2026 88.1802 85.5506 18.1034 171.8894 86.6298 1.2271 0.1422 7.8449 18.5707 0.4674 55.5161 49.2011 0.3099 1.5889 52.2317 0.8324 32.1798 10.6108 15.8806 45.1883 56.5310 26.9884 0.1314 170.9057 15.1072 277.4961 59.4968 78.0001 5.2494 132.8873 42.0865 20.8434 51.5380 7.2010 652.6745 271.6931 412.1903 358.9290 157.8289 4.1556 50.9084 0.8970 14.8209 15.1843 879.1571 519.2415 44.5188 25.5461 40.4655 16.8247 2.5608 20.3401 38.1787 16.1867 66.3840 46.6404 28.1596 9.3247 19.3317 29.8786 19.4132 9.3634 4.7858 15.8336 3.7096 31.1927 10.2071 1.7435 17.5637 3.2587 1.4815 5.4349 177.5230 8.9612 0.7179 1.2377 1.0417 0.2902 2.0841 1.9834 1.9748 4.0596 0.8126 0.1541 0.5390 0.4840 0.2251 0.9748 0.3046 0.3222 0.4132 1.7048 0.7401 0.7013 1.2720 2.0516 0.2726 0.2147 1.1542 1.1875 0.8655 0.1829 0.1076 0.6090 0.1288 1.4247 1.7802 2.7149 0.4770 3.8874 0.1757 4.1234 1.1030 1.9190 0.0155 2.0093 0.8649 0.8519 6.3719 0.8300 1.2925 4.9687 0.4090 0.9348 1.1392 4.3697 6.7899 5.1187 0.6251 1.7195 10.1707 4.8317 0.9893 4.3575 1.7815 1.4533 4.2532 5.2382 0.9099 9.5915 8.6733 0.9159 1.9814 14.4629 16.7681 2.7282 3.0815 4.2114 2.1813 8.4151 7.4751 3.2912 12.1557 4.8068 0.3627 5.5174 3.7000 0.0505 0.1072 4.2406 5.0311 15.0101 6.9538 1.3477 4.4275 0.0361 1.4927 4.7972 5.3916 5.0237 3.2164 10.4297 22.8952 3.0005 5.0639 6.1999 0.7525 7.6882 3.2252 4.8390 9.3663 5.1050 10.6878 3.2062 2.8530 3.5050 14.3825 4.2368 1.8756 6.4809 86.0269 8.0526 40.4307 1.1450 9.1886 7.5033 8.1998 3.1282 0.8855 23.0307 12.8030 11.5997 10.9507 5.4461 24.2516 2.5582 27.9821 28.7394 5.6251 23.2225 52.1490 14.0939 17.5529 19.3442 5.6765 22.6683 5.1409 18.4445 25.4485 4.0234 72.8444 27.3740 7.9754 13.7832 24.5466 39.8266 50.3165 38.5192 54.8273 35.5478 114.7785 153.9542 152.3695 42.9463 29.7049 116.1527 81.7030 51.5032 92.1182 65.2424 67.0586 34.6790 106.9638 70.1411 46.2581 22.1057 80.5795 41.0896 116.4601 12.3318 68.5966 216.6954 51.9913 233.7693 58.3105 55.8018 0.7500 0.7500 0.7491 0.7499 0.7450 0.7439 0.7146 0.7419 0.7273 0.7460 0.3920 0.6732 0.7398 0.5249 0.3822 0.7471 0.6391 0.6157 0.5777 0.7256 0.7473 0.4670 0.3991 0.6191 0.3186 0.7037 0.4981 0.6916 0.5744 0.5355 0.2198 0.3607 0.3193 0.5787 0.6527 0.7441 0.6318 0.7494 0.6139 0.7489 0.2745 0.7500 0.5794 0.7436 0.5365 0.1324 0.5724 0.1674 0.6171 0.4108 0.6831 0.5527 0.3224 0.2010 0.2733 0.6080 0.7021 0.7499 0.6832 0.7479 0.3126 0.1727 0.7012 0.1655 0.1925 0.7298 0.1707 0.1552 0.6785 0.2924 0.1570 0.0665 0.7499 0.2770 0.1716 0.7296 0.0963 0.4657 0.3311 0.2231 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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 6 6 6 7 6 6 7 6 7 6 6 6 6 6 6 9 7 6 8 7 6 8 6 6 1 6 6 7 6 6 6 6 6 6 8 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 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 14.00307 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 5355.2095 52988.9045 56614.7710 0.99999 0.00322 0.00076 -0.00321 0.99997 -0.00748 -0.00079 0.00748 0.99997 1 0.01617 0.00163 0.00153 0.33701 0.03406 0.03188 14.63 15.57 18.49 24.93 50.15 58.33 68.59 82.47 96.25 111.23 122.72 141.59 156.44 161.05 206.32 211.83 217.32 232.95 243.53 252.74 290.47 323.69 331.59 341.30 365.36 389.91 396.50 415.39 468.56 476.70 489.38 495.40 531.79 533.32 541.83 575.88 598.66 617.38 635.78 653.73 676.38 680.86 705.83 723.33 744.26 763.42 788.71 840.44 868.67 880.24 898.18 914.22 919.55 960.76 973.58 979.67 1018.44 1023.07 1045.04 1116.00 1136.06 1164.17 1170.97 1206.56 1219.73 1226.57 1233.37 1239.51 1246.65 1256.08 1297.64 1308.86 1337.48 1353.58 1367.58 1399.54 1405.82 1420.72 1445.80 1458.28 1498.01 1533.73 1543.56 1548.01 1578.73 1585.45 1597.50 1608.50 1629.15 1661.61 1670.91 1674.63 1697.45 1702.35 1720.33 1723.74 1735.83 1753.96 1765.59 1775.07 1822.47 1833.37 1834.50 1836.28 1838.81 1869.44 1891.94 1916.85 1934.06 1978.21 2000.32 2000.41 2013.03 2034.35 2047.45 2064.09 2064.27 2080.96 2121.37 2142.24 2148.21 2153.37 2197.53 2226.35 2244.51 2257.02 2261.35 2269.51 2272.49 2287.39 2312.35 2319.86 2331.62 2332.18 2336.82 2340.81 2351.01 2354.47 2359.82 2363.18 2368.80 2371.00 2393.84 2396.97 2414.87 2415.36 2453.10 2544.17 2566.85 2579.76 2583.55 2617.26 2620.54 2673.83 2734.60 2806.77 4530.45 4616.46 4626.02 4653.81 4670.11 4684.11 4687.12 4700.96 4703.43 4724.31 4736.15 4748.53 4760.58 4776.86 4787.38 4816.76 4822.94 4838.01 4857.32 4866.21 4875.70 4876.74 4882.99 4904.46 4905.33 5449.60 5781.69 0.545086 0.576158 0.577103 0.476963 -1650.520222 -1650.489150 -1650.488206 -1650.588346 3.358712D-04 MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE Cc1c(n2c3c(nc2n1c4ccc(cc4)F)n(c(=O)n(c3=O)C[C@@H](C)CNc5ccccc5O)C)C C10048579 RHF 6-31G(d) (6D,10F) C1 490.212867 |X|Y|Z| 166.032917 51.635869 25.704142 60.401761 28 6 7 22 6 |36.858105| |12.747743|36.858105| |7.383990|14.179939|36.858105| |5.199627|8.711351|13.631416|53.358707| |3.762404|5.309321|7.138441|18.502398|36.858105| |3.402823|4.629789|5.331289|11.912422|13.901674|36.858105| |3.872751|5.389380|5.512484|11.545928|8.372261|14.170507|53.358707| |5.237459|8.582117|8.518721|19.462512|8.775840|9.207962|19.632954|36.858105| |7.536326|13.486072|8.514510|11.930613|5.635902|5.583744|10.495026|14.157805|53.358707| |6.252660|7.489055|5.262646|7.302121|4.115161|4.380887|8.288479|7.735837|18.197852|36.858105| |5.173029|5.608825|4.266639|5.893542|3.523797|3.780501|6.805148|5.730117|10.654808|13.745654|36.858105| |4.046011|4.090442|3.285966|4.525003|2.847061|3.078689|5.300791|4.156325|7.002805|7.933790|13.767899|36.858105| |3.718677|3.701678|3.008767|4.141590|2.639195|2.861297|4.873920|3.760033|6.224978|6.951297|8.021677|13.817636|36.858105| |4.037999|4.086874|3.285098|4.527282|2.849765|3.083664|5.311712|4.160774|7.002919|7.933840|6.858288|7.887529|13.817660|36.858105| |5.156726|5.599857|4.264790|5.898460|3.528812|3.789512|6.827744|5.741498|10.655124|13.745579|7.931331|6.858205|8.021618|13.767911|36.858105| |3.018532|2.955139|2.489933|3.420665|2.239675|2.418657|3.969481|2.991394|4.721704|4.684457|5.317923|8.180016|14.364934|8.179926|5.317880|97.533100| |2.735602|3.476140|3.901527|7.431067|8.006256|13.948994|10.773248|5.599175|5.481965|3.442147|3.106071|2.655065|2.502339|2.659855|3.113577|4.897484|53.358707| |2.455087|3.039753|3.513606|6.303096|6.919246|8.030641|7.127148|4.322137|4.508007|2.835963|2.593188|2.252805|2.133515|2.256468|2.598668|4.246318|18.855937|36.858105| |2.129410|2.556252|2.877034|4.883680|4.819264|5.494409|5.588934|3.443397|3.770302|2.454397|2.283584|2.030496|1.938242|2.034816|2.289632|3.919032|11.585996|15.877819|73.516695| |2.594372|3.232101|3.944071|6.974152|8.141636|7.039793|6.410160|4.310695|4.551986|2.773172|2.516926|2.164734|2.042575|2.166193|2.519150|4.056418|10.953454|13.731691|14.992449|53.358707| |3.132752|4.068737|5.411761|10.023822|13.416839|7.748098|7.161810|5.327793|5.495434|3.164464|2.809675|2.356065|2.206256|2.357833|2.812608|4.318731|9.081024|7.664686|9.498119|18.468066|36.858105| |3.102053|3.894049|5.313148|8.385620|8.121472|5.319007|5.611237|4.423331|4.933428|2.867703|2.566710|2.171807|2.038871|2.173062|2.568747|4.021673|6.388705|5.339469|7.464492|11.380124|15.818664|73.516695| |2.230099|2.666575|3.189131|5.167113|5.142780|4.563976|4.702446|3.260648|3.660091|2.294503|2.115798|1.858090|1.765513|1.860751|2.119670|3.561699|7.033309|7.860224|12.657039|17.645638|7.731992|12.365587|36.858105| |2.035533|2.386788|2.792316|4.397133|4.122275|3.798061|4.101582|2.848141|3.274553|2.091041|1.979128|1.752285|1.648849|1.708009|1.916288|3.353829|5.845405|5.970000|10.679807|10.278731|5.516198|9.324776|12.409202|36.858105| |1.965028|2.302785|2.639832|4.213601|3.942385|3.860500|4.182376|2.819689|3.228255|2.089837|1.995399|1.776261|1.668961|1.719334|1.916065|3.404082|6.276524|6.507809|12.898938|9.416134|4.894722|7.799865|8.914813|17.573730|0.500000| |2.173290|2.544597|3.012625|4.637985|4.205091|3.710947|4.100833|2.942291|3.422517|2.163527|2.072218|1.817409|1.685826|1.729701|1.945534|3.416683|5.314535|4.876019|8.039556|8.501669|5.535798|10.013947|7.484641|12.437117|0.246872|36.858105| |1.784752|2.041992|2.348441|3.568316|3.173260|2.954723|3.334947|2.344913|2.774831|1.802664|1.711745|1.538364|1.461165|1.513471|1.677805|3.003839|4.464255|4.250880|8.016644|6.782679|4.028764|7.231368|7.686151|12.428715|0.248881|7.485997|36.858105| |1.630241|1.839274|2.077560|3.112646|2.686000|2.553422|2.963779|2.084533|2.505590|1.651615|1.592341|1.443568|1.366319|1.400667|1.535584|2.829273|3.832489|3.466271|6.616894|5.194457|3.232590|5.777733|5.015820|7.660943|0.197420|6.281207|13.028322|53.358707| |1.466979|1.632650|1.823092|2.690771|2.271378|2.173394|2.573864|1.819055|2.218154|1.477825|1.425931|1.305336|1.244249|1.276187|1.388359|2.594817|3.232659|2.841057|5.449061|4.171934|2.669719|4.819138|3.886124|5.033104|0.132854|4.330991|7.819690|18.129326|36.858105| |1.415155|1.559486|1.740801|2.524874|2.094550|1.977143|2.367773|1.697879|2.094235|1.395784|1.345471|1.233992|1.178795|1.210234|1.314992|2.463084|2.876404|2.477154|4.627135|3.698023|2.453878|4.545945|3.382263|4.101518|0.104286|3.775042|5.915954|10.432940|13.739371|36.858105| |1.288436|1.406787|1.553888|2.237966|1.832402|1.745566|2.118378|1.519725|1.891530|1.272102|1.228262|1.135046|1.089681|1.118298|1.207222|2.289688|2.532049|2.141858|4.014609|3.137338|2.104232|3.878889|2.780721|3.204710|0.083789|2.964420|4.264102|6.923888|7.900642|13.756836|36.858105| 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|1.388184|1.548083|1.699266|2.549629|2.160200|2.157615|2.572592|1.771600|2.151272|1.454969|1.411483|1.304057|1.247444|1.275310|1.375405|2.615574|3.324284|2.901225|5.916302|3.945174|2.448530|4.218395|3.469931|4.286770|0.130656|3.528217|5.367649|9.513561|8.019610|5.248862|4.622892|5.267131|8.085673|14.178926|73.516695| |2.436194|2.981003|3.163753|5.595883|5.107683|7.702903|8.873468|4.553631|4.808654|3.243767|3.006540|2.660781|2.537588|2.668545|3.017548|5.038758|17.769502|7.842011|12.630037|7.014921|4.415738|6.138806|3.926946|3.494630|0.107740|3.171135|2.823784|3.423945|2.170767|1.926588|1.722981|1.698711|1.856494|2.117495|4.144619|36.858105| |5.745111|7.349963|12.753280|10.239864|5.648949|4.162275|5.440323|5.213983|6.982069|3.764729|3.255869|2.654254|2.464875|2.653269|3.254105|4.744094|4.510872|3.190114|4.744044|5.120237|5.204598|10.521220|3.221764|2.836275|0.072386|3.126976|2.431074|2.914397|1.886726|1.829877|1.628409|1.510771|1.540045|1.707155|3.034914|2.704641|36.858105| |17.621888|8.963739|6.944239|6.396747|3.527297|3.097277|4.581948|4.388080|7.588607|4.639821|4.039114|3.312689|3.081568|3.307599|4.030149|5.836833|3.454580|2.337133|3.622040|3.429609|3.063942|5.583592|2.205911|2.018995|0.053561|2.173879|1.785570|2.219558|1.471986|1.431271|1.303274|1.228040|1.251940|1.364167|2.443773|2.243017|6.452886|0.500000| |17.557781|8.889199|5.814998|6.126413|3.395799|3.159529|4.945172|4.718890|9.109201|6.264022|5.859102|4.557779|3.985299|4.080077|4.939185|7.265048|3.515073|2.311895|3.598619|3.283240|2.851908|4.985013|2.086431|1.939689|0.052434|2.086516|1.702985|2.141745|1.416837|1.365057|1.244839|1.181975|1.213675|1.324337|2.396069|2.340374|4.702893|0.301838|0.500000| |17.557882|8.890184|5.813911|6.126786|3.396199|3.160439|4.947245|4.720627|9.115034|6.271205|4.959962|4.093007|3.989012|4.549591|5.839434|7.270569|3.516156|2.312729|3.601123|3.282495|2.851910|4.985270|2.087600|1.894645|0.051009|1.988718|1.677373|2.085344|1.388915|1.340995|1.228199|1.168597|1.198512|1.302574|2.353470|2.342125|4.701077|0.301836|0.302132|0.500000| |5.034610|5.574541|4.406374|6.080411|3.649978|3.852806|6.707075|5.675270|9.805748|8.936883|17.734027|8.916666|5.679533|4.945742|5.649754|9.611153|4.304162|2.662169|4.152524|3.546191|2.923361|4.759804|2.188367|2.075268|0.058150|2.211364|1.781580|2.267307|1.482418|1.396949|1.269687|1.220930|1.275249|1.404332|2.596683|3.014623|3.390198|0.112478|0.164301|0.125425|0.500000| |3.491545|3.482710|2.896175|3.981220|2.564137|2.759781|4.592717|3.527369|5.659867|5.629722|8.857680|17.749178|8.958284|5.639388|4.947142|16.731914|3.313326|2.093955|3.392046|2.737404|2.165860|3.571458|1.746064|1.669206|0.047176|1.739796|1.472289|1.897864|1.263645|1.195025|1.101402|1.069402|1.116595|1.214428|2.250814|2.460550|2.407303|0.082076|0.110880|0.096333|0.212718|0.500000| |3.482528|3.478855|2.895138|3.983952|2.567609|2.766080|4.605199|3.532149|5.659984|5.629765|4.947187|5.639381|8.958266|17.749211|8.857791|16.731561|3.322160|2.099127|3.403261|2.740200|2.168274|3.574565|1.749949|1.603362|0.044813|1.610094|1.434466|1.807852|1.218112|1.157768|1.074872|1.046742|1.089634|1.176017|2.170288|2.471357|2.406019|0.081900|0.095988|0.110554|0.107449|0.124576|0.500000| |5.008348|5.559168|4.402842|6.089960|3.659814|3.869641|6.745262|5.694788|9.806293|8.936950|5.649786|4.945712|5.679498|8.916586|17.734229|9.611057|4.323190|2.672637|4.172878|3.552089|2.929190|4.767068|2.195945|1.952414|0.053881|1.961355|1.715592|2.118041|1.410227|1.338326|1.229441|1.187458|1.235436|1.345750|2.474935|3.034255|3.386731|0.112040|0.124748|0.163129|0.124421|0.107448|0.212718|0.500000| |2.285060|2.713565|3.305073|5.168774|4.940382|4.126629|4.387694|3.165384|3.619995|2.250314|2.061130|1.807836|1.722867|1.824174|2.085275|3.474834|5.899440|5.824024|9.195504|12.635501|7.719466|14.945421|17.678187|8.810380|0.174281|6.832280|6.930440|6.266123|3.716620|3.399421|2.799175|2.544565|2.663905|3.163126|5.552650|3.358162|3.490175|0.063716|0.058830|0.059318|0.059097|0.047098|0.047761|0.060423|0.500000| |2.062687|2.437623|2.844724|4.574176|4.408472|4.161747|4.391111|2.987912|3.388321|2.163830|1.991578|1.770629|1.701174|1.800694|2.034367|3.454032|6.702730|7.486352|14.009194|12.556044|5.908633|9.396558|17.649737|8.850886|0.214975|5.486297|7.167898|6.484497|3.882000|3.339793|2.802995|2.660666|2.905338|3.512107|6.509488|3.943888|2.836722|0.056429|0.053636|0.054377|0.056581|0.046218|0.047454|0.058896|0.301647|0.500000| |1.997482|2.297354|2.653083|4.009752|3.494915|3.201170|3.659607|2.616703|3.103431|1.998632|1.944673|1.723326|1.594332|1.620060|1.800459|3.255893|4.609152|4.061600|6.995234|6.449791|4.266531|7.651599|5.457335|8.760339|0.214284|17.551222|6.736719|9.420307|4.646168|3.987501|3.100945|2.789240|2.981475|3.744229|6.664342|2.878735|2.738044|0.055486|0.053920|0.050896|0.057902|0.046267|0.041955|0.050038|0.139239|0.122979|0.500000| |2.417919|2.890659|3.463114|5.477758|5.081724|4.409697|4.782338|3.433657|3.914655|2.436617|2.337969|2.019872|1.852531|1.895391|2.151556|3.720193|6.147804|5.454413|8.419299|9.529826|6.577314|11.178742|6.845019|8.768042|0.211043|17.579737|5.460593|6.447185|3.513581|3.110843|2.539268|2.328041|2.477877|3.000231|5.469971|3.547045|3.508115|0.066603|0.064650|0.060761|0.070118|0.053563|0.048545|0.059836|0.170280|0.140213|0.304160|0.500000| |2.209150|2.563333|3.077566|4.580497|4.025463|3.416890|3.844658|2.841018|3.359888|2.110537|2.008710|1.760963|1.639224|1.689007|1.904333|3.322844|4.707438|4.182414|6.803395|7.519177|5.404259|10.971475|6.725915|8.748994|0.173154|17.543200|6.802519|7.622290|4.141558|3.842048|3.011369|2.640309|2.725486|3.296300|5.649872|2.818942|3.337614|0.062326|0.058506|0.056000|0.059367|0.046731|0.043774|0.053622|0.200156|0.139065|0.300127|0.302414|0.500000| |1.802174|2.049539|2.376561|3.541010|3.096681|2.803205|3.194152|2.292230|2.739347|1.770556|1.672955|1.501758|1.429705|1.486158|1.651566|2.937916|4.096833|3.787323|6.838348|6.290148|3.987105|7.582777|6.997486|8.810273|0.174356|6.794802|17.446505|12.217189|6.895968|6.219971|4.433030|3.753063|3.876468|4.904817|7.740832|2.572827|2.522961|0.050585|0.047511|0.047019|0.048283|0.039849|0.039191|0.047122|0.207934|0.176189|0.165051|0.139775|0.201958|0.500000| |1.707552|1.949419|2.219924|3.388907|3.011777|2.870593|3.251229|2.258875|2.673370|1.750776|1.655332|1.497116|1.433380|1.491202|1.647367|2.956117|4.432188|4.253923|8.452252|6.449865|3.739078|6.545225|7.190357|8.862252|0.215705|5.484926|17.572065|12.593379|7.322003|5.476592|4.220539|3.955295|4.494075|6.098976|10.558114|2.860492|2.270922|0.047243|0.045162|0.044980|0.047449|0.039729|0.039478|0.047020|0.174800|0.223386|0.138828|0.123065|0.139891|0.302932|0.500000| |1.661655|1.868806|2.115335|3.138111|2.676964|2.513659|2.938273|2.089810|2.526379|1.661289|1.610702|1.456398|1.370359|1.398492|1.533764|2.835174|3.694885|3.268653|6.037029|4.974058|3.210033|5.838463|4.606900|7.003084|0.175256|7.012909|9.333521|25.939257|9.496072|7.086493|4.746959|4.084333|4.410147|6.095054|9.650492|2.411615|2.199327|0.046360|0.044723|0.043113|0.047127|0.039191|0.036713|0.042984|0.120999|0.116062|0.242321|0.142323|0.177043|0.217946|0.182273|0.500000| |1.480282|1.630004|1.832928|2.636449|2.177878|2.022087|2.419348|1.753555|2.167574|1.435465|1.381633|1.261623|1.202233|1.235086|1.347169|2.505023|2.898868|2.488101|4.544822|3.804921|2.578219|4.885516|3.484443|4.204260|0.102846|4.071144|5.897936|9.545064|8.949791|17.688318|8.909782|5.652549|4.953933|5.653074|7.527682|1.916196|1.954065|0.041837|0.039592|0.038801|0.039951|0.033901|0.032751|0.038102|0.100362|0.092774|0.118643|0.091911|0.120696|0.190212|0.141873|0.201734|0.500000| |1.250101|1.355853|1.494802|2.131640|1.727068|1.636463|1.999961|1.445641|1.812155|1.220193|1.178101|1.090462|1.048297|1.076062|1.160091|2.206031|2.347335|1.963232|3.634361|2.889630|1.973045|3.673894|2.523933|2.838928|0.073646|2.692007|3.632604|5.613044|5.630254|8.909670|17.724219|8.889774|5.633975|4.945280|6.518382|1.596491|1.577851|0.035277|0.033544|0.033135|0.033798|0.029407|0.028771|0.032842|0.071773|0.070187|0.077650|0.064851|0.077430|0.108194|0.098888|0.111120|0.214638|0.500000| |1.145180|1.242280|1.353205|1.949766|1.583073|1.536505|1.888786|1.345469|1.684825|1.147348|1.111315|1.037097|1.001473|1.026294|1.098115|2.119495|2.241891|1.865334|3.544021|2.649557|1.774746|3.213172|2.272630|2.532925|0.068843|2.320015|3.149403|4.911677|4.947145|5.656379|8.911372|17.711744|8.950913|5.657731|7.557728|1.561908|1.399506|0.032017|0.030833|0.030552|0.031741|0.028032|0.027551|0.031046|0.062476|0.065170|0.067011|0.057173|0.064080|0.087059|0.091156|0.092434|0.124146|0.214261|0.500000| |1.193557|1.307618|1.421071|2.084646|1.717560|1.700857|2.076704|1.452979|1.799835|1.229074|1.192857|1.113581|1.074042|1.098875|1.174914|2.271642|2.544755|2.140441|4.206021|2.951226|1.916604|3.379177|2.529533|2.879650|0.082080|2.531142|3.551890|5.721745|5.642920|4.957700|5.623748|8.865506|17.733809|8.966715|13.166381|1.800351|1.443448|0.033048|0.032200|0.031848|0.034074|0.030108|0.029454|0.033133|0.066786|0.074085|0.073571|0.062637|0.067080|0.090847|0.107406|0.101650|0.107567|0.123642|0.214107|0.500000| |1.480727|1.663635|1.836139|2.779203|2.383301|2.381022|2.806685|1.924215|2.317107|1.558272|1.512314|1.389202|1.322384|1.350673|1.463219|2.760635|3.703001|3.288538|6.758861|4.470865|2.724893|4.653166|3.968971|5.211681|0.166420|4.176030|6.388914|11.939639|8.088763|5.106263|4.229097|4.473680|6.085968|10.213197|35.538294|2.569581|1.838810|0.040654|0.039943|0.039051|0.043656|0.037432|0.035759|0.041059|0.096671|0.114380|0.124935|0.099826|0.100931|0.134689|0.188513|0.181272|0.119486|0.095146|0.101596|0.151570|0.500000| |2.237723|2.687676|2.847348|4.882184|4.378639|5.983269|7.057541|3.882181|4.247533|2.903100|2.783279|2.494504|2.350920|2.416456|2.676530|4.732614|12.405167|7.032835|12.715618|6.459861|3.979608|5.679793|3.800956|3.586405|0.115072|3.259353|2.892966|3.589347|2.260540|1.981228|1.768397|1.753694|1.935938|2.224394|4.429393|17.636696|2.486337|0.057676|0.060512|0.059393|0.078978|0.065343|0.062227|0.073635|0.089056|0.105572|0.084054|0.101027|0.078784|0.071905|0.081093|0.070226|0.054365|0.045257|0.044674|0.052327|0.076991|0.500000| |2.248688|2.702337|2.861326|4.909131|4.397549|6.020468|7.119107|3.909906|4.275328|2.922186|2.681678|2.421601|2.363751|2.518030|2.813535|4.755392|12.392969|6.989753|12.587647|6.437289|3.985115|5.688314|3.793455|3.309569|0.101372|2.914065|2.761037|3.327788|2.143685|1.903975|1.716565|1.704977|1.868255|2.115847|4.152492|17.631020|2.495666|0.057931|0.059614|0.060879|0.073532|0.062220|0.066065|0.080128|0.090599|0.110930|0.073629|0.087736|0.072880|0.070023|0.079636|0.064233|0.052243|0.044156|0.043688|0.050628|0.070700|0.301310|0.500000| |2.605405|3.196986|3.276718|5.776687|4.898391|7.555813|10.680007|5.082016|5.394768|3.754874|3.479286|3.074527|2.930264|3.080584|3.487816|5.744099|12.569457|5.758750|9.079499|5.853329|3.990648|5.676612|3.335108|3.002999|0.090446|2.825929|2.473825|3.040253|1.949790|1.753869|1.579841|1.554837|1.684288|1.899137|3.677649|17.692243|2.720708|0.065459|0.069989|0.069996|0.095383|0.078079|0.078305|0.095784|0.082022|0.091656|0.071967|0.088335|0.071044|0.063648|0.068982|0.060193|0.048697|0.040963|0.039956|0.045460|0.062761|0.299251|0.299297|0.500000| |6.430231|6.887084|8.959871|7.593916|4.324257|3.435361|4.650545|4.370696|6.319529|3.589248|3.150813|2.607873|2.431784|2.606116|3.147805|4.710132|3.832083|2.704459|4.122183|4.219783|4.018391|7.983500|2.736347|2.462673|0.063355|2.707971|2.161011|2.632633|1.727402|1.690158|1.518421|1.410214|1.429678|1.570385|2.781907|2.375820|17.611846|0.231582|0.143493|0.143430|0.090635|0.066003|0.065938|0.090473|0.081965|0.068130|0.067367|0.082910|0.080371|0.062453|0.056321|0.055323|0.050133|0.041133|0.036494|0.037326|0.046512|0.061183|0.061410|0.066987|0.500000| |4.700654|5.805873|8.925004|9.115269|5.604922|4.085641|5.161223|4.715024|6.067874|3.380916|2.895516|2.415412|2.291735|2.500839|3.045354|4.455257|4.532343|3.287094|4.894758|5.404153|5.546644|11.872064|3.455250|2.939333|0.073979|3.152574|2.546745|2.998110|1.950182|1.899071|1.690315|1.564428|1.590282|1.760342|3.113838|2.697183|17.594571|0.143623|0.107615|0.115076|0.082048|0.060873|0.064067|0.090435|0.107156|0.084988|0.075662|0.095824|0.094693|0.074374|0.066574|0.062265|0.056415|0.045544|0.040239|0.041319|0.052235|0.068325|0.070372|0.074293|0.300620|0.500000| 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