Version2.4 2021-06-06T20:26:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccccc1N2CCN(CC2)C(=O)c3cnn4c3N[C@H](C[C@@H]4C(F)(F)F)c5ccc(cc5)Br C00714879 RHF 6-31G(d) (6D,7F) COc1ccccc1N2CCN(CC2)C(=O)c3cnn4c3N[C@H](C[C@@H]4C(F)(F)F)c5ccc(cc5)Br C01[X(C25H25Br1F3N5O2)] 177 C1 605 COc1ccccc1N1CCN(CC1)C(=O)c1cnn2c1N[C@H](C[C@@H]2C(F)(F)F)c1ccc(cc1)Br COc1ccccc1N1CCN(CC1)C(=O)c1cnn2c1N[C@H](C[C@@H]2C(F)(F)F)c1ccc(cc1)Br COc1ccccc1N2CCN(CC2)C(=O)c3cnn4[C@H](C[C@@H](Nc34)c5ccc(Br)cc5)C(F)(F)F InChIKey=XXXIGRQWAXPPSH-DENIHFKCSA-N InChI=1S/C25H25BrF3N5O2/c1-36-21-5-3-2-4-20(21)32-10-12-33(13-11-32)24(35)18-15-30-34-22(25(27,28)29)14-19(31-23(18)34)16-6-8-17(26)9-7-16/h2-9,15,19,22,31H,10-14H2,1H3/t19-,22-/m1/s1 InChI=1/C25H25BrF3N5O2/c1-36-21-5-3-2-4-20(21)32-10-12-33(13-11-32)24(35)18-15-30-34-22(25(27,28)29)14-19(31-23(18)34)16-6-8-17(26)9-7-16/h2-9,15,19,22,31H,10-14H2,1H3/t19-,22-/m1/s1 COc1ccccc1N2CCN(CC2)C(=O)c3cnn4c3N[C@H](C[C@@H]4C(F)(F)F)c5ccc(cc5)Br C01[X(C25H25Br1F3N5O2)] 177 C01 605 COc1ccccc1N1CCN(CC1)C(=O)c1cnn2c1N[C@H](C[C@@H]2C(F)(F)F)c1ccc(cc1)Br CO[C]1[CH][CH][CH][CH][C]1[N@@]1CCN(CC1)C(=O)[C]1[CH]=NN2[C]1N[C@H](C[C@@H]2C(F)(F)F)[C]1[CH][CH][C]([CH][CH]1)Br CO[C]1[CH][CH][CH][CH][C]1N2CCN(CC2)C(=O)[C]3C=NN4[C]3N[C@H](C[C@@H]4C(F)(F)F)[C]5[CH][CH][C](Br)[CH][CH]5 InChIKey=XXXIGRQWAXPPSH-DENIHFKCSA-N InChI=1S/C25H25BrF3N5O2/c1-36-21-5-3-2-4-20(21)32-10-12-33(13-11-32)24(35)18-15-30-34-22(25(27,28)29)14-19(31-23(18)34)16-6-8-17(26)9-7-16/h2-9,15,19,22,31H,10-14H2,1H3/t19-,22-/m1/s1 InChI=1/C25H25BrF3N5O2/c1-36-21-5-3-2-4-20(21)32-10-12-33(13-11-32)24(35)18-15-30-34-22(25(27,28)29)14-19(31-23(18)34)16-6-8-17(26)9-7-16/h2-9,15,19,22,31H,10-14H2,1H3/t19-,22-/m1/s1 4325.7757547009 -4251.4332403 1-A 32647.7916 144 461 605 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.06733 -64.47884 -58.61833 -58.61649 -58.61637 -26.34183 -26.34032 -26.33554 -20.58884 -20.51862 -15.64903 -15.59047 -15.58427 -15.58394 -15.55772 -11.50491 -11.35398 -11.33406 -11.31306 -11.30286 -11.30178 -11.29563 -11.28370 -11.26818 -11.26554 -11.26260 -11.26219 -11.26088 -11.25698 -11.25610 -11.25463 -11.25426 -11.24982 -11.24887 -11.24560 -11.23133 -11.23010 -11.22789 -11.22419 -11.22039 -9.72717 -7.47641 -7.46761 -7.46758 -3.21534 -3.21106 -3.21106 -3.20084 -3.20083 -1.73952 -1.63695 -1.63426 -1.41871 -1.40834 -1.38542 -1.27848 -1.27130 -1.22711 -1.18632 -1.17326 -1.14102 -1.10817 -1.06806 -1.05239 -1.04144 -1.03957 -1.02533 -1.01756 -1.01349 -0.97357 -0.96444 -0.94062 -0.92397 -0.89394 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.11484 0.12356 0.14675 0.15835 0.16149 0.16630 0.17555 0.22351 0.23431 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1.00850 1.01201 1.01481 1.02854 1.03256 1.04713 1.05491 1.05936 1.06233 1.07308 1.08065 1.08467 1.09092 1.09710 1.10036 1.10442 1.10755 1.11148 1.11968 1.12091 1.12225 1.12827 1.12986 1.13067 1.13472 1.14082 1.14238 1.15130 1.15262 1.15687 1.15854 1.16419 1.16919 1.17347 1.17843 1.18912 1.19489 1.19654 1.20384 1.21133 1.21471 1.22531 1.23323 1.23632 1.24151 1.24583 1.24932 1.26512 1.27067 1.28199 1.28644 1.28924 1.29623 1.30536 1.31532 1.31594 1.33018 1.33707 1.34012 1.35093 1.35869 1.36671 1.37769 1.38360 1.39268 1.40102 1.40839 1.41314 1.42453 1.43168 1.45383 1.46111 1.47470 1.48103 1.48335 1.49196 1.50081 1.50414 1.51010 1.51772 1.52136 1.55227 1.56577 1.57002 1.58071 1.59822 1.60040 1.61606 1.62447 1.63001 1.63638 1.64323 1.64783 1.65036 1.65201 1.66229 1.67544 1.67894 1.68582 1.69346 1.69527 1.70366 1.70820 1.71755 1.72506 1.73197 1.73700 1.74196 1.75266 1.76264 1.77427 1.78160 1.78442 1.78843 1.78999 1.80007 1.80921 1.81599 1.82142 1.82404 1.83015 1.85021 1.85757 1.86417 1.87478 1.91555 1.93073 1.94909 1.96024 1.96998 1.98975 1.99371 2.00047 2.02904 2.03977 2.04578 2.06212 2.06645 2.08374 2.08787 2.09338 2.09956 2.11044 2.11753 2.12464 2.12952 2.13399 2.14614 2.15249 2.15565 2.15966 2.16672 2.17452 2.17551 2.18420 2.19652 2.20186 2.21931 2.22324 2.22821 2.23649 2.25397 2.25863 2.26867 2.27883 2.28065 2.28834 2.29284 2.30743 2.31464 2.32065 2.32519 2.32878 2.33927 2.33954 2.35547 2.35668 2.36978 2.37220 2.38207 2.39506 2.40379 2.41385 2.41769 2.42370 2.42449 2.43139 2.43895 2.44495 2.45351 2.45968 2.46586 2.47061 2.48042 2.48228 2.48351 2.49265 2.50053 2.51007 2.51285 2.51629 2.51724 2.52433 2.54115 2.56109 2.56807 2.57204 2.58391 2.59112 2.61079 2.61161 2.61419 2.61951 2.62293 2.63386 2.63675 2.66582 2.66912 2.67590 2.67847 2.68845 2.69416 2.71141 2.71574 2.72993 2.74526 2.74870 2.77919 2.78798 2.78863 2.79945 2.81780 2.82491 2.83924 2.86944 2.88753 2.89603 2.90548 2.91913 2.92115 2.93181 2.94612 2.95048 2.96215 2.96946 2.97128 2.98424 2.99343 2.99805 3.01820 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4.9248 3.8714 3.2802 4.6507 4.6402 4.3804 3.3240 3.0326 3.9649 5.2704 6.2515 3.4881 3.8518 3.7481 3.6188 3.9125 1.2799 4.7478 7.2290 3.3304 1.6910 1.9723 2.7779 1.3597 1.4576 3.3242 3.3036 3.3025 1.4193 1.6888 1.7286 2.5134 1.2980 1.8404 2.5412 2.5306 1.5277 2.2904 2.6365 2.8719 3.3919 2.8300 1.8016 2.5814 2.1899 2.8784 2.6864 2.0152 2.1606 2.4293 2.4876 1.2683 2.4834 2.2023 1.2512 1.6494 2.5957 2.5322 1.7606 1.3846 1.5446 2.1641 2.4636 2.5111 2.0061 1.9094 2.1542 2.1772 2.2857 3.7186 1.5989 1.3384 1.6040 1.6792 1.5520 1.3190 2.1291 1.3779 1.5443 1.8273 2.0688 1.8142 1.6519 1.9996 1.8036 2.0195 1.1318 1.3748 1.1268 1.1073 1.0542 1.3151 1.2647 1.0785 3.0835 2.2053 2.6301 6.1049 6.0911 3.9662 5.8330 5.4707 5.2011 10.0728 1.0730 1.0746 1.0343 1.0726 1.0735 1.0842 1.0810 1.0752 1.0917 1.1072 1.0908 1.1019 1.1009 1.0934 1.0904 1.0942 1.0872 1.0933 1.0948 1.0903 1.0950 1.0937 1.0959 1.0978 1.0777 0.0002 0.0013 0.0012 0.0023 0.0074 0.0057 0.0139 0.0173 0.0220 0.0127 0.0218 0.0210 0.0400 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6.5597 6.5884 6.7097 6.7558 6.7498 6.8686 6.9738 7.0729 7.1768 7.1751 7.2535 7.2436 7.2776 7.2380 7.3528 7.4314 7.4070 7.4737 7.4784 7.5125 7.6542 9.2805 0.0604 0.0163 0.0104 0.4719 0.1507 0.3785 0.3157 1.0549 2.1288 4.0336 1.6304 3.9889 0.1912 0.4069 1.3718 1.3121 0.3560 2.2869 1.3143 2.5860 3.4854 1.8768 3.6315 3.2006 0.9861 1.6318 1.0674 0.4397 0.6095 2.6761 2.0437 4.7457 5.4044 11.8578 0.6762 4.4310 1.2280 10.8498 8.4089 10.7407 14.9300 1.7025 1.3359 4.6025 8.6591 3.2204 1.6236 0.6495 13.1336 10.2749 14.8689 15.7910 1.8190 9.0841 35.3514 57.4688 30.6118 15.8127 15.5208 10.4830 1.6871 7.8614 22.7065 10.5314 72.9347 13.2494 85.5226 6.9509 5.4643 24.7959 37.6071 1.5036 1.7024 75.9789 18.2764 14.5983 0.8598 1.6524 3.4414 90.1265 0.1240 11.6212 14.3551 118.4322 4.2699 12.9896 43.5516 6.7765 14.1306 50.0975 4.7836 13.0494 6.1610 5.3728 17.7644 27.4963 46.0835 1.2494 2.6712 2.8467 43.2691 4.1037 16.5762 32.2270 161.6938 310.5110 57.7697 16.0613 4.6290 117.2115 211.1674 67.6279 42.4595 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2.3356 2.1246 2.6356 0.5320 4.0571 7.3873 1.2959 1.8182 0.3502 2.1944 0.3574 1.8141 1.9601 2.7381 0.5595 2.0672 32.9466 2.6344 12.2378 9.6867 2.2329 2.2879 3.6717 4.5132 37.1740 1.1272 1.3951 0.7619 4.4123 4.7897 2.6401 2.6827 3.1779 23.1205 4.4922 11.6595 5.5409 6.0037 8.2746 3.9829 1.5605 4.9672 9.6373 9.2554 2.2465 16.1674 3.4743 7.3237 2.3479 3.3146 8.2150 15.3320 10.7370 4.0860 21.9185 6.0500 8.1359 21.3528 1.7855 18.5727 2.8911 3.5995 1.9545 16.7592 20.3412 5.9599 8.3647 4.9280 22.1832 5.1602 54.0153 7.6181 29.3415 0.2110 15.7856 21.0418 8.2193 12.5233 8.8075 79.5487 49.8319 55.2410 25.5947 67.5949 104.4803 10.3463 113.1214 64.8270 191.7802 25.6753 80.0121 61.3027 76.9868 90.1919 66.1728 88.6569 66.8707 51.1199 60.5325 122.6792 90.2397 55.3983 98.4970 169.9258 122.3624 83.8306 42.9476 0.7317 0.7413 0.7306 0.7046 0.7129 0.7486 0.7359 0.7482 0.6991 0.7454 0.7238 0.7411 0.6653 0.7141 0.7187 0.4933 0.3104 0.5843 0.4281 0.3772 0.6988 0.6363 0.7413 0.6512 0.7373 0.5358 0.1660 0.3494 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0.8378 0.8544 0.3555 0.6643 0.5683 0.7889 0.7211 0.4894 0.2647 0.6441 0.5637 0.3520 0.7509 0.6739 0.4475 0.3400 0.3705 0.0420 0.7124 0.3665 0.6296 0.2100 0.5779 0.4399 0.8403 0.4786 0.7087 0.7639 0.5645 0.4673 0.5355 0.8472 0.6514 0.2342 0.8290 0.4130 0.2846 0.2564 0.4250 0.2817 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 6 8 6 6 6 6 6 6 7 6 6 7 6 6 6 8 6 6 7 7 6 7 6 1 6 6 1 6 9 9 9 6 6 6 6 6 6 35 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 18.99840 18.99840 18.99840 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 13098.0464 51849.5415 61371.3093 0.99972 -0.02296 0.00491 0.02300 0.99970 -0.00803 -0.00472 0.00814 0.99996 1 0.00661 0.00167 0.00141 0.13779 0.03481 0.02941 11.20 21.21 27.54 39.98 44.94 69.58 78.39 89.64 99.57 110.71 125.10 131.61 150.13 165.37 215.20 234.39 259.45 276.42 297.05 331.01 353.96 376.23 402.33 417.95 432.03 437.97 442.46 466.18 476.71 498.94 514.41 550.61 551.55 593.60 626.51 652.37 661.32 694.83 705.96 733.20 760.58 767.64 785.99 827.01 832.67 846.73 879.04 901.65 908.74 916.96 943.60 992.36 997.93 1010.21 1024.45 1048.32 1063.76 1120.66 1135.75 1154.18 1165.26 1192.21 1193.99 1208.66 1223.87 1250.23 1265.32 1301.89 1348.75 1358.39 1363.57 1385.76 1393.88 1433.46 1463.52 1467.67 1498.19 1504.14 1523.89 1547.77 1581.38 1586.82 1589.16 1599.88 1613.27 1631.01 1634.44 1659.02 1692.97 1697.15 1698.43 1718.68 1726.51 1752.06 1767.20 1780.05 1790.63 1823.76 1858.69 1861.61 1870.37 1891.94 1895.56 1896.76 1904.19 1916.53 1923.55 1933.35 1946.85 1949.74 1956.55 1974.26 2002.38 2037.50 2046.94 2063.23 2069.49 2080.30 2085.54 2096.00 2129.71 2143.04 2164.82 2171.52 2188.64 2210.90 2212.63 2222.83 2250.75 2258.44 2274.40 2279.84 2322.56 2332.82 2347.43 2355.29 2355.59 2365.88 2376.42 2378.81 2387.29 2390.38 2392.56 2404.99 2427.81 2511.03 2543.33 2552.91 2573.30 2593.11 2595.08 2653.88 4502.97 4528.87 4614.33 4635.39 4643.66 4663.04 4685.99 4696.40 4701.61 4704.26 4773.04 4783.71 4785.34 4827.90 4831.12 4834.03 4836.36 4861.03 4883.63 4885.68 4897.07 4901.38 4907.72 4949.53 5500.65 0.519646 0.548789 0.549733 0.453687 -4250.913594 -4250.884451 -4250.883507 -4250.979553 3.221399D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE COc1ccccc1N2CCN(CC2)C(=O)c3cnn4c3N[C@H](C[C@@H]4C(F)(F)F)c5ccc(cc5)Br C00714879 RHF 6-31G(d) (6D,10F) C1 563.114371 |X|Y|Z| 160.538311 75.634852 33.994353 74.456476 28 6 7 23 5 |36.858105| |13.625191|73.516695| |8.009491|25.084694|36.858105| |6.768132|14.057967|13.784562|36.858105| |4.529862|9.237070|7.912418|13.686873|36.858105| |3.799962|8.200266|6.849329|7.948140|13.860227|36.858105| |3.991828|9.403324|7.952256|6.912645|7.975395|13.686201|36.858105| |5.233798|14.458164|13.520972|7.877592|6.818156|7.860855|13.778580|36.858105| |4.671804|12.619469|7.840821|5.150826|4.525454|5.098787|7.739857|13.451320|53.358707| |4.413148|11.152103|6.099831|4.338355|3.796089|4.107775|5.546328|7.843091|17.786395|36.858105| |3.771989|8.666139|4.391216|3.349000|2.967874|3.154857|3.996356|5.121459|10.659366|12.528132|36.858105| |3.088000|6.865155|3.698383|2.938046|2.713392|2.974957|3.787028|4.500276|9.151390|7.747007|13.072425|53.358707| |3.155845|7.128004|3.993350|3.155873|2.952232|3.308480|4.332061|5.093942|10.632278|6.652662|7.839811|17.830671|36.858105| |3.516382|8.373272|5.174231|3.954378|3.772454|4.473861|6.587572|7.798103|17.920322|7.934900|6.688681|10.574626|12.475019|36.858105| |2.570342|5.477500|2.997668|2.488673|2.351491|2.582254|3.175694|3.552652|6.447307|5.541466|7.836057|19.111903|7.622238|5.468200|36.858105| |2.468974|5.171826|2.815717|2.371042|2.239486|2.432487|2.929816|3.252843|5.635057|5.197115|7.000217|11.544200|5.330676|4.402222|15.637780|73.516695| |2.212317|4.603846|2.558253|2.184408|2.103287|2.320473|2.791492|3.000731|5.154265|4.025008|5.035621|10.585209|6.369964|4.607537|12.955945|14.630025|36.858105| |2.099034|4.310725|2.390281|2.061809|1.989095|2.181744|2.587464|2.763683|4.642906|3.412798|4.144063|8.135169|5.922178|4.206826|7.152721|9.275446|13.391550|36.858105| |1.838995|3.710101|2.072192|1.825359|1.780712|1.948392|2.260850|2.361975|3.816103|2.807235|3.270409|5.868719|4.286879|3.364855|5.151769|7.528451|8.428681|14.782835|53.358707| |1.767841|3.562293|2.001040|1.772301|1.738651|1.908196|2.206753|2.283819|3.656892|2.771392|3.190369|5.594045|3.851664|3.165870|5.299953|8.292858|8.687771|9.057613|19.027560|53.358707| |1.932850|3.944878|2.212689|1.935235|1.888416|2.080589|2.443131|2.555219|4.181249|3.284681|3.863709|6.992891|4.431642|3.607779|7.616746|12.031531|13.747372|8.674576|11.585754|19.389853|36.858105| |1.842226|3.731707|2.102354|1.858521|1.822818|2.003820|2.325244|2.407404|3.848702|3.112207|3.543871|5.907887|3.669740|3.195042|6.200005|11.899054|7.627759|5.378159|7.360240|11.011735|14.021615|53.358707| |1.620773|3.224025|1.813436|1.629931|1.605307|1.748091|1.984262|2.036201|3.167742|2.525187|2.819715|4.480466|2.895502|2.577995|4.279839|8.186414|5.099395|4.224374|6.297360|9.312890|7.903981|17.902757|36.858105| |1.570299|3.113545|1.762797|1.597067|1.582401|1.724501|1.942579|1.974285|3.026026|2.423895|2.638044|4.072688|2.648344|2.431421|3.773035|7.405228|4.208921|3.507970|5.084650|6.910267|5.846439|12.685148|17.577619|0.500000| |1.520244|3.014593|1.708848|1.547885|1.537459|1.681294|1.896658|1.921237|2.957653|2.280920|2.506074|4.029207|2.744340|2.453276|3.668803|6.522230|4.623665|4.250846|6.975509|10.726523|6.910958|10.791238|12.411042|0.249511|36.858105| |1.562036|3.101085|1.746852|1.572751|1.553319|1.694962|1.921746|1.964241|3.058226|2.317007|2.596210|4.292661|2.988306|2.578473|3.869491|6.484437|5.302420|5.468398|10.557017|17.972584|7.713820|8.980155|7.468508|0.153204|12.415505|36.858105| |1.505866|2.963626|1.653216|1.491015|1.463421|1.580856|1.780546|1.835447|2.850013|2.169839|2.457040|3.986222|2.749896|2.360240|3.542180|6.027596|4.659711|4.926805|9.230426|12.495990|6.217445|7.472684|6.483133|0.135659|8.773358|17.579361|0.500000| |1.467718|2.900815|1.649279|1.500409|1.496008|1.637474|1.838829|1.852110|2.834926|2.093396|2.287171|3.734727|2.725566|2.408429|3.184537|5.246289|4.172769|4.605762|8.802693|10.565946|5.232253|6.218467|4.920835|0.115081|7.607218|12.490358|0.251307|36.858105| |1.339008|2.622384|1.491894|1.370635|1.371018|1.492739|1.655089|1.658521|2.500999|1.856558|2.004532|3.180735|2.304165|2.083158|2.678405|4.545254|3.316655|3.512989|6.133135|7.222688|4.081588|5.283281|4.488144|0.110495|6.956827|8.197597|0.202261|14.331918|97.533100| |1.451509|2.854956|1.614171|1.469004|1.458626|1.586763|1.776052|1.799721|2.753159|2.007635|2.206520|3.595126|2.676729|2.336579|2.978254|4.822495|3.866097|4.613175|9.060011|8.763328|4.447564|5.103179|3.879267|0.092024|5.180299|8.039823|0.209234|14.507586|20.191528|97.533100| |1.512646|3.010686|1.734623|1.581403|1.592817|1.764954|1.988324|1.972174|3.002744|2.185669|2.338986|3.844392|2.879447|2.599953|3.229061|5.245924|4.187787|4.540848|8.065546|9.282300|5.075318|6.061043|4.479350|0.109737|6.453196|8.065086|0.163253|14.442624|20.072982|20.090256|97.533100| |1.561330|3.067712|1.698918|1.528977|1.490515|1.599142|1.799797|1.872532|2.906575|2.336152|2.660345|4.107045|2.621487|2.309375|3.832557|7.491940|4.369685|3.784373|5.589388|7.446997|5.927958|10.342054|12.445493|0.248904|7.440230|6.016610|0.176100|4.133313|8.791351|7.896080|8.063892|36.858105| |1.404624|2.728142|1.513277|1.377921|1.348413|1.438690|1.597241|1.649917|2.515833|2.001135|2.232737|3.364636|2.202684|1.979109|2.993273|5.760701|3.333092|3.032797|4.530104|5.670636|4.216272|6.855922|7.556299|0.192863|6.076581|4.906484|0.149811|3.715938|8.506628|7.202690|7.188507|13.666569|36.858105| |1.344164|2.585220|1.422309|1.299024|1.264513|1.336638|1.474101|1.531989|2.324612|1.849982|2.070815|3.060118|2.006709|1.803839|2.656174|5.105232|2.882960|2.681629|3.941948|4.649230|3.434136|5.265637|5.004369|0.130356|4.303799|3.860346|0.121602|3.090561|7.094373|6.292453|6.013163|7.873063|13.796546|36.858105| |1.410748|2.706326|1.472629|1.337508|1.290431|1.355828|1.499244|1.576815|2.409641|1.933137|2.204233|3.228849|2.087203|1.853056|2.796201|5.412772|2.979099|2.771130|3.978645|4.549734|3.422802|5.073317|4.418782|0.111756|3.727445|3.562871|0.113013|2.847965|6.311555|5.972956|5.585740|6.849793|7.989135|13.757196|36.858105| |1.568387|3.033292|1.639742|1.472441|1.411313|1.485137|1.659867|1.764627|2.740948|2.226171|2.608099|3.857277|2.426425|2.110565|3.431972|6.753316|3.635176|3.295467|4.618792|5.298796|4.146586|6.064491|4.966181|0.119678|3.966400|3.906401|0.122494|3.010579|6.401565|6.326504|5.944022|7.889764|6.900188|7.933637|13.823217|36.858105| |1.665359|3.268746|1.782520|1.589565|1.530327|1.628568|1.841224|1.950861|3.068136|2.502655|2.951380|4.521168|2.795936|2.406119|4.263709|8.523992|4.686113|4.018474|5.651491|6.989172|5.803690|8.978004|7.438402|0.162867|5.232274|5.005362|0.151513|3.582203|7.390353|7.256568|7.077269|13.735535|7.980013|6.875275|7.967118|13.717432|36.858105| |1.301877|2.462053|1.331630|1.218836|1.172217|1.219032|1.333483|1.404980|2.121333|1.690981|1.909047|2.730330|1.792103|1.608522|2.275006|4.342718|2.368345|2.259598|3.200837|3.489030|2.593827|3.721735|3.068315|0.080214|2.740165|2.691173|0.084119|2.283147|5.115608|4.937563|4.552969|4.071653|4.604844|6.691080|10.039061|6.693895|4.595026|2539.412838| |17.642045|17.016516|5.880550|4.925376|3.626408|3.187769|3.413881|4.400622|5.825376|4.229024|3.864738|4.248085|3.119138|3.312901|2.602562|4.461277|2.233281|2.125253|2.529186|2.423526|1.945387|2.516814|1.630718|0.043690|1.523512|1.572122|0.042383|1.468987|3.014600|3.280515|3.377865|1.587642|1.427740|1.374545|1.453996|1.622852|1.710678|45.896795|0.500000| |17.556059|16.428931|6.990792|6.753691|4.580737|3.733525|3.780319|4.712228|5.588919|4.060336|3.420450|3.821916|2.813508|3.150249|2.395786|4.169800|2.064692|1.941450|2.338174|2.273501|1.830423|2.407011|1.564930|0.042441|1.462528|1.488125|0.039848|1.397611|2.886933|3.093387|3.241481|1.508386|1.363566|1.306416|1.367601|1.512716|1.602158|43.068800|0.300046|0.500000| |17.560373|16.445909|7.066979|6.783696|4.617350|3.772381|3.822928|4.770683|5.663109|3.742577|3.268673|3.808077|2.944505|3.285836|2.349844|3.972722|2.068074|1.994797|2.395831|2.287432|1.815156|2.343223|1.524895|0.041007|1.445365|1.491975|0.039973|1.415425|2.909655|3.166971|3.289732|1.467250|1.326727|1.270583|1.329030|1.468998|1.556487|41.882090|0.300000|0.298992|0.500000| |7.574111|12.625483|8.918156|17.763474|8.942265|5.668757|4.976283|5.611972|5.681825|3.707098|2.998530|3.568081|2.769485|3.307994|2.250260|3.846704|1.988192|1.888308|2.292161|2.225113|1.774584|2.327335|1.514532|0.041254|1.438177|1.461592|0.038742|1.395112|2.882664|3.084228|3.286380|1.434260|1.300549|1.234322|1.274453|1.397961|1.495568|39.862031|0.147449|0.228885|0.226572|0.500000| |3.933801|7.462220|5.644912|8.922653|17.717782|8.931071|5.652423|4.923584|4.906709|3.142172|2.548624|3.203085|2.535404|3.123226|2.078411|3.546425|1.883425|1.792514|2.209735|2.162816|1.712287|2.261910|1.480317|0.040685|1.423568|1.434434|0.037656|1.388815|2.883721|3.050846|3.321736|1.379740|1.257854|1.183623|1.205226|1.309433|1.411655|37.477719|0.089394|0.113549|0.114155|0.216926|0.500000| |3.138962|6.507298|4.940218|5.641487|8.925729|17.723061|8.899976|5.620589|5.637755|3.470771|2.769139|3.644740|2.968281|3.892893|2.384322|4.009815|2.185716|2.065184|2.545300|2.506087|1.991421|2.625950|1.697822|0.046782|1.646713|1.651633|0.042661|1.610429|3.320785|3.501603|3.933034|1.544962|1.397982|1.295803|1.305629|1.420534|1.558225|39.946797|0.075120|0.086505|0.087312|0.124399|0.214119|0.500000| |3.329649|7.585442|5.649265|4.974446|5.677840|8.943066|17.740397|8.961537|9.623239|5.273195|3.956948|5.406145|4.634630|7.326992|3.399730|5.507675|3.037815|2.798646|3.333441|3.271938|2.668329|3.448049|2.142173|0.058295|2.061347|2.082825|0.052981|2.001351|4.030393|4.315484|4.940825|1.910229|1.687337|1.542246|1.557360|1.723851|1.933552|46.688414|0.082005|0.087785|0.088678|0.107952|0.124486|0.216295|0.500000| |3.691477|8.701960|5.129322|3.955224|3.658709|4.102740|5.510433|6.726354|12.272472|17.437393|8.857634|9.366016|5.797025|7.080590|5.625085|9.911385|4.093160|3.353295|3.821215|3.883841|3.449746|4.594453|2.704570|0.073185|2.415147|2.398921|0.061713|2.157954|4.321796|4.580743|5.113981|2.452290|2.092971|1.912842|1.976982|2.267113|2.583640|58.225042|0.097308|0.098291|0.089026|0.093870|0.085135|0.098894|0.154587|0.500000| |5.339230|13.778655|6.860440|4.792351|3.969910|4.052541|5.124514|7.377641|12.472870|17.647247|8.923695|7.671864|4.976598|5.722882|4.392222|7.698365|3.341880|2.905642|3.334266|3.298987|2.820943|3.703358|2.269289|0.061040|2.049841|2.070888|0.054479|1.880690|3.799960|4.076364|4.384361|2.137303|1.857395|1.738099|1.824182|2.084511|2.297776|55.143460|0.141487|0.139278|0.118452|0.116062|0.091493|0.093899|0.127557|0.300737|0.500000| |3.396332|7.383805|3.746014|2.982319|2.669331|2.807043|3.428562|4.186453|7.688738|8.847292|17.696697|12.519940|5.696357|5.000418|7.669861|14.873764|4.846218|3.861538|4.269076|4.297899|3.899309|5.072646|2.971367|0.077669|2.562175|2.605525|0.069085|2.254702|4.489495|4.848062|5.121944|2.854372|2.380179|2.216836|2.383972|2.857333|3.229169|69.923261|0.098014|0.088278|0.081514|0.075637|0.064794|0.069540|0.094720|0.215739|0.211369|0.500000| |4.193009|9.520074|4.465947|3.378607|2.913692|3.009633|3.715631|4.867738|9.633621|8.934146|17.544312|12.526454|7.040398|5.856104|6.008481|9.488625|4.355568|3.859646|4.180878|3.967071|3.390441|4.181544|2.524597|0.065374|2.282643|2.402196|0.064089|2.142136|4.240705|4.732596|4.887177|2.433053|2.072711|1.951685|2.095847|2.467297|2.721832|62.942252|0.124393|0.101881|0.100373|0.085616|0.069836|0.072982|0.099349|0.174269|0.218757|0.300273|0.500000| |2.697199|5.870515|3.354466|2.769788|2.664765|3.017182|3.834494|4.191185|7.726727|4.994358|5.676187|12.418173|17.695227|8.943357|7.264962|8.907359|7.470184|7.629178|7.176710|6.177548|5.064714|5.408909|3.117895|0.078105|3.043177|3.404781|0.085311|3.142811|5.828360|6.964691|7.604418|2.762859|2.311385|2.081032|2.140877|2.476852|2.892784|61.907327|0.073945|0.067800|0.071124|0.068130|0.064638|0.077352|0.118049|0.130839|0.109567|0.127743|0.143109|0.500000| |3.348475|7.473886|4.012318|3.160652|2.889794|3.140089|3.980255|4.815820|9.523566|5.778453|6.964235|12.453533|17.548326|8.875398|5.897134|7.892291|5.189224|5.285168|5.350515|4.665801|3.779736|4.299640|2.583131|0.065620|2.470537|2.724192|0.071158|2.514831|4.825144|5.688685|5.882418|2.403456|2.048856|1.896425|1.991042|2.306180|2.594400|59.169264|0.093563|0.080866|0.087789|0.078208|0.069299|0.077734|0.113025|0.132963|0.129785|0.142778|0.206615|0.301137|0.500000| |3.408142|7.899711|5.039333|4.007938|3.922587|4.720376|6.772641|7.301524|12.512719|5.712710|4.988543|7.681259|8.904993|17.582724|4.326723|6.345287|3.940075|3.835790|4.298450|3.964751|3.188156|3.834685|2.336169|0.061314|2.275752|2.415264|0.061595|2.314807|4.520222|5.123746|5.667919|2.102136|1.827260|1.673341|1.711743|1.926827|2.171986|51.053264|0.088126|0.084135|0.091721|0.092879|0.090443|0.115175|0.209585|0.143894|0.127928|0.109587|0.131088|0.214146|0.218211|0.500000| |3.086273|7.091157|4.492905|3.627130|3.617810|4.459472|6.531511|6.639287|12.225878|7.049234|5.823985|9.435562|8.909219|17.424737|5.574679|8.186830|4.778143|4.171823|4.653489|4.535750|3.871350|4.765112|2.781718|0.073659|2.643057|2.720465|0.067983|2.539320|4.943465|5.426591|6.284625|2.426415|2.071363|1.863376|1.891452|2.144634|2.479524|55.283522|0.080538|0.079297|0.080089|0.084543|0.084257|0.111828|0.231290|0.209062|0.143445|0.130821|0.134221|0.220935|0.174491|0.300657|0.500000| |2.209492|4.539742|2.495471|2.139828|2.047805|2.231713|2.648577|2.867426|4.846371|3.440687|4.190496|8.096774|6.531479|4.412246|6.117322|8.016506|8.480346|17.790397|12.728215|8.307299|5.870724|5.670448|3.419810|0.081507|3.447681|4.293775|0.111768|3.868561|6.876179|9.140288|8.670140|3.165041|2.624687|2.381605|2.486359|2.920592|3.403151|71.195379|0.062390|0.056059|0.058738|0.054509|0.051146|0.058279|0.078629|0.090864|0.081795|0.104830|0.113313|0.235399|0.176350|0.114933|0.115265|0.500000| |1.953891|3.974023|2.226235|1.954743|1.903675|2.084775|2.430563|2.546147|4.101660|3.445354|3.965952|6.419942|3.773990|3.318603|6.979913|15.760376|7.134167|4.827725|6.178006|8.137261|9.656796|25.960189|9.005785|0.217954|5.708480|4.949505|0.122020|3.693333|7.263853|7.114833|8.191904|6.704004|4.606529|3.696659|3.673387|4.489390|6.506304|92.957696|0.054578|0.052308|0.050226|0.049929|0.048032|0.055347|0.072989|0.105566|0.083628|0.120327|0.093186|0.108966|0.089747|0.079645|0.101021|0.108263|0.500000| |1.529468|3.046245|1.747378|1.588828|1.593184|1.759127|1.985277|1.982232|3.028772|2.312815|2.484645|3.998404|2.777613|2.539940|3.580204|6.291495|4.440498|4.056031|6.467521|9.343039|6.331139|9.859418|8.937250|0.224129|17.581102|8.872359|0.174069|7.257139|14.951674|10.965903|16.710020|5.498562|4.697457|3.529479|3.112699|3.301247|4.202829|81.227387|0.042259|0.040944|0.040474|0.040809|0.040976|0.048199|0.060641|0.068814|0.057460|0.069793|0.062416|0.086272|0.068636|0.065721|0.077469|0.092459|0.149515|0.500000| |1.402818|2.755102|1.559181|1.424210|1.416251|1.538619|1.715422|1.733626|2.634935|2.027493|2.209902|3.467580|2.379498|2.153866|3.065718|5.512776|3.700095|3.506045|5.690951|7.770623|5.031589|7.737065|8.794513|0.212245|17.645773|8.883919|0.219392|6.777889|16.986029|10.859784|12.419533|6.899077|6.760684|4.696486|3.832413|3.841585|4.760947|96.392181|0.039103|0.037622|0.037158|0.036971|0.036655|0.042008|0.051420|0.059346|0.051278|0.062977|0.056580|0.072339|0.060461|0.056041|0.063907|0.081984|0.125662|0.302555|0.500000| |1.338376|2.597104|1.452017|1.330778|1.311691|1.404053|1.550926|1.585646|2.395078|1.888208|2.069470|3.114525|2.073750|1.890931|2.731965|5.194299|3.048149|2.801870|4.225176|5.283751|3.850982|6.284868|7.039169|0.199483|6.369540|4.760580|0.139568|3.786624|9.102622|7.167868|7.397699|8.877857|17.699501|8.994986|5.680907|4.964988|5.656182|130.568372|0.037591|0.036183|0.035238|0.034867|0.034097|0.038136|0.045703|0.055177|0.048712|0.060698|0.053307|0.060770|0.053444|0.048818|0.055393|0.067705|0.115495|0.140522|0.221667|0.500000| 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