Version2.0 2020-01-12T02:09:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1C)NC(=S)NNC(=O)c2cc3n(n2)[C@@H](C[C@H](N3)c4ccc(c(c4)C)C)C(F)(F)F C02794167 RHF 6-31G(d) (6D,7F) Cc1cccc(c1C)NC(=S)NNC(=O)c2cc3n(n2)[C@@H](C[C@H](N3)c4ccc(c(c4)C)C)C(F)(F)F C01[X(C25H27F3N6O1S1)] 183 C1 598 S=C(Nc1cccc(c1C)C)NNC(=O)c1cc2n(n1)[C@@H](C[C@H](N2)c1ccc(c(c1)C)C)C(F)(F)F S=C(Nc1cccc(c1C)C)NNC(=O)c1cc2n(n1)[C@@H](C[C@H](N2)c1ccc(c(c1)C)C)C(F)(F)F Cc1ccc(cc1C)[C@@H]2C[C@H](n3nc(cc3N2)C(=O)NNC(=S)Nc4cccc(C)c4C)C(F)(F)F InChIKey=HHRFIGBJWYMFJQ-FPOVZHCZSA-N InChI=1S/C25H27F3N6OS/c1-13-8-9-17(10-15(13)3)19-11-21(25(26,27)28)34-22(29-19)12-20(33-34)23(35)31-32-24(36)30-18-7-5-6-14(2)16(18)4/h5-10,12,19,21,29H,11H2,1-4H3,(H,31,35)(H2,30,32,36)/t19-,21-/m0/s1 InChI=1/C25H27F3N6OS/c1-13-8-9-17(10-15(13)3)19-11-21(25(26,27)28)34-22(29-19)12-20(33-34)23(35)31-32-24(36)30-18-7-5-6-14(2)16(18)4/h5-10,12,19,21,29H,11H2,1-4H3,(H,31,35)(H2,30,32,36)/t19-,21-/m0/s1/f/h30-32H Cc1cccc(c1C)NC(=S)NNC(=O)c2cc3n(n2)[C@@H](C[C@H](N3)c4ccc(c(c4)C)C)C(F)(F)F C01[X(C25H27F3N6O1S1)] 183 C01 598 S=C(Nc1cccc(c1C)C)NNC(=O)c1cc2n(n1)[C@@H](C[C@H](N2)c1ccc(c(c1)C)C)C(F)(F)F S[C@@H](Nc1cccc(c1C)C)NNC(=O)[C@@H]1C[C@@H]2N(N1)[C@@H](C[C@H](N2)c1ccc(c(c1)C)C)C(F)(F)F Cc1ccc(cc1C)[C@@H]2C[C@H](N3N[C@@H](C[C@H]3N2)C(=O)NN[C@@H](S)Nc4cccc(C)c4C)C(F)(F)F InChIKey=GALCJSVKDRZFQN-YGQNSOCVSA-N InChI=1S/C25H33F3N6OS/c1-13-8-9-17(10-15(13)3)19-11-21(25(26,27)28)34-22(29-19)12-20(33-34)23(35)31-32-24(36)30-18-7-5-6-14(2)16(18)4/h5-10,19-22,24,29-30,32-33,36H,11-12H2,1-4H3,(H,31,35)/t19-,20-,21-,22-,24-/m0/s1 InChI=1/C25H33F3N6OS/c1-13-8-9-17(10-15(13)3)19-11-21(25(26,27)28)34-22(29-19)12-20(33-34)23(35)31-32-24(36)30-18-7-5-6-14(2)16(18)4/h5-10,19-22,24,29-30,32-33,36H,11-12H2,1-4H3,(H,31,35)/t19-,20-,21-,22-,24-/m0/s1/f/h31H 3954.7299065579 -2059.8239472 1-A 29726.5140 135 463 598 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.85608 -26.35345 -26.35212 -26.34879 -20.55366 -15.66946 -15.63290 -15.62760 -15.60874 -15.60718 -15.60025 -11.51756 -11.37271 -11.36385 -11.34029 -11.32500 -11.30888 -11.28423 -11.27066 -11.26468 -11.25836 -11.25755 -11.25409 -11.24769 -11.24760 -11.24545 -11.23825 -11.23602 -11.23412 -11.23033 -11.22990 -11.22206 -11.22122 -11.21996 -11.21480 -11.20938 -8.86744 -6.55104 -6.54779 -6.54700 -1.75184 -1.64907 -1.64674 -1.43502 -1.42328 -1.35900 -1.28917 -1.27252 -1.19134 -1.18231 -1.15999 -1.13475 -1.11130 -1.07085 -1.05607 -1.05428 -1.04786 -1.02348 -1.01882 -0.97170 -0.96515 -0.94712 -0.94224 -0.92934 -0.91426 -0.89454 -0.88510 -0.84558 -0.84408 -0.83802 -0.83469 -0.82284 -0.81615 -0.80174 -0.79004 -0.77256 -0.76898 -0.75666 -0.74901 -0.73913 -0.72472 -0.71763 -0.71176 -0.69383 -0.68973 -0.67800 -0.66812 -0.66593 -0.65991 -0.65922 -0.65767 -0.65186 -0.64812 -0.63797 -0.63715 -0.62382 -0.61790 -0.60987 -0.60287 -0.59544 -0.58853 -0.58627 -0.58388 -0.57892 -0.56983 -0.56446 -0.55975 -0.55766 -0.55502 -0.55352 -0.54492 -0.54140 -0.53882 -0.53649 -0.53028 -0.50894 -0.49797 -0.49728 -0.49345 -0.48748 -0.48461 -0.47695 -0.47487 -0.47273 -0.45428 -0.43521 -0.41128 -0.38495 -0.34773 -0.33992 -0.32747 -0.32408 -0.31307 -0.30044 -0.29736 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.11310 0.12089 0.12584 0.15058 0.15277 0.17224 0.19577 0.20484 0.21877 0.23481 0.23565 0.24421 0.24942 0.25094 0.25135 0.25895 0.26498 0.27176 0.27541 0.27787 0.28833 0.28944 0.29547 0.29759 0.29971 0.30058 0.30483 0.30900 0.31495 0.32046 0.32683 0.33303 0.33571 0.33952 0.34715 0.34965 0.35467 0.36275 0.36423 0.36789 0.37631 0.39073 0.39539 0.40008 0.41648 0.42063 0.42844 0.43698 0.44014 0.44590 0.45178 0.45538 0.46332 0.46516 0.46763 0.47344 0.47889 0.48868 0.49183 0.51014 0.51753 0.52730 0.53334 0.53488 0.54240 0.55019 0.56369 0.58613 0.59517 0.59917 0.60586 0.61444 0.62973 0.64029 0.65363 0.67828 0.68376 0.68959 0.69731 0.70227 0.70697 0.71243 0.71696 0.72424 0.72591 0.72751 0.73524 0.74059 0.74542 0.74675 0.75072 0.75532 0.76272 0.76485 0.77333 0.77957 0.78139 0.78410 0.78803 0.79560 0.80403 0.80793 0.81796 0.82191 0.82538 0.82970 0.83226 0.83867 0.84501 0.85114 0.85699 0.86088 0.86887 0.87150 0.87354 0.87899 0.88793 0.89055 0.89838 0.90576 0.90766 0.91783 0.92549 0.92707 0.94055 0.94179 0.95129 0.95992 0.97184 0.98630 0.98727 0.99253 0.99485 1.00641 1.01231 1.01447 1.02135 1.02280 1.02809 1.03257 1.04023 1.04417 1.04684 1.05984 1.06542 1.06708 1.07745 1.08026 1.08525 1.09225 1.09465 1.09893 1.10442 1.11015 1.11332 1.11953 1.12134 1.12233 1.12862 1.13213 1.13749 1.14186 1.14590 1.15043 1.15257 1.15655 1.15991 1.16439 1.17166 1.17186 1.17533 1.18235 1.19094 1.19433 1.19789 1.20162 1.20424 1.20625 1.21911 1.22252 1.22514 1.23385 1.23506 1.24018 1.24861 1.25593 1.26073 1.26577 1.26882 1.27924 1.28798 1.29692 1.29978 1.31163 1.32152 1.33131 1.33320 1.34167 1.34665 1.35460 1.36550 1.36914 1.37521 1.38436 1.38944 1.40301 1.41238 1.42532 1.43497 1.43615 1.44054 1.45525 1.47342 1.47570 1.47865 1.48586 1.49074 1.49984 1.51294 1.52057 1.52140 1.52478 1.53934 1.55934 1.56909 1.58344 1.59218 1.60398 1.61124 1.62296 1.62727 1.62797 1.63922 1.64607 1.64908 1.65939 1.66597 1.66776 1.66988 1.67313 1.68991 1.69354 1.70423 1.70660 1.71386 1.71832 1.72220 1.72598 1.73466 1.75288 1.75827 1.76277 1.78055 1.78242 1.78777 1.79550 1.82369 1.83160 1.83877 1.86802 1.89107 1.90360 1.91105 1.92199 1.93188 1.95990 1.96633 1.97506 2.00592 2.01229 2.03049 2.03627 2.05008 2.05914 2.07140 2.07362 2.07869 2.08717 2.09636 2.10397 2.11663 2.11735 2.12117 2.12382 2.12934 2.13504 2.14303 2.15341 2.16116 2.16599 2.16904 2.17617 2.18121 2.18418 2.19162 2.19506 2.20317 2.20851 2.21177 2.22143 2.23161 2.23771 2.24022 2.25134 2.26089 2.26585 2.27168 2.28308 2.29757 2.30942 2.31804 2.31943 2.32783 2.33322 2.33944 2.34394 2.35776 2.36940 2.37953 2.38986 2.39773 2.41244 2.41376 2.42517 2.44627 2.44806 2.44997 2.45759 2.47279 2.47974 2.48309 2.48959 2.49136 2.49908 2.50721 2.51845 2.52239 2.53015 2.53665 2.54365 2.54890 2.55382 2.55534 2.56550 2.58254 2.58465 2.60094 2.60223 2.61330 2.61663 2.62816 2.64129 2.64445 2.65727 2.65809 2.66401 2.66786 2.67366 2.68699 2.69247 2.69581 2.70360 2.72155 2.73550 2.73773 2.74668 2.75194 2.76084 2.77598 2.77981 2.79246 2.80764 2.81615 2.82203 2.83184 2.84887 2.86983 2.87755 2.90980 2.92279 2.92674 2.94352 2.94724 2.97049 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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| 8.0930 11.4631 17.6120 21.6791 27.3052 39.0418 45.3777 50.5349 58.0471 72.5690 76.0113 96.2920 101.9582 114.5574 131.3604 136.1436 149.8543 157.2206 176.1933 184.4602 185.7518 194.3972 216.9658 233.6083 238.8305 254.4094 269.7058 304.3703 314.9512 320.6834 322.9082 334.4333 341.1956 346.6571 350.2270 383.9443 394.2100 428.1512 455.8410 468.7405 471.5898 494.5470 517.5870 523.0213 537.8421 542.5828 546.4432 561.4514 566.5203 571.7594 578.8003 588.1352 597.2054 609.8110 628.8422 646.5773 667.5410 671.1772 694.7616 710.3205 712.9693 744.6883 749.8494 759.5338 771.0736 785.9129 799.7089 808.5581 813.5556 836.6402 855.7764 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0.22698 0.03718 0.03511 11.64 16.49 25.34 31.19 39.29 56.17 65.29 72.71 83.52 104.41 109.36 138.54 146.70 164.82 189.00 195.88 215.61 226.21 253.50 265.40 267.26 279.69 312.17 336.11 343.62 366.04 388.05 437.92 453.14 461.39 464.59 481.17 490.90 498.76 503.90 552.41 567.18 616.01 655.85 674.41 678.51 711.54 744.69 752.51 773.83 780.66 786.21 807.80 815.10 822.63 832.76 846.20 859.25 877.38 904.76 930.28 960.44 965.67 999.61 1021.99 1025.80 1071.44 1078.87 1092.80 1109.40 1130.75 1150.60 1163.33 1170.53 1203.74 1231.27 1252.44 1286.28 1293.36 1298.63 1309.15 1352.86 1390.73 1412.44 1432.47 1461.65 1479.83 1487.02 1508.79 1564.87 1565.92 1567.77 1586.13 1586.48 1594.83 1606.38 1627.07 1657.25 1665.69 1682.97 1695.47 1700.33 1701.96 1741.12 1753.10 1775.14 1786.20 1790.19 1813.81 1872.49 1881.74 1898.12 1902.98 1905.89 1921.16 1930.01 1934.08 1960.65 1973.50 1998.43 2006.51 2027.15 2050.93 2064.80 2080.00 2081.84 2134.13 2154.43 2164.50 2211.71 2226.30 2247.74 2250.54 2264.00 2264.15 2267.28 2276.25 2292.83 2320.33 2337.44 2338.46 2348.08 2354.15 2356.83 2359.40 2359.42 2363.13 2370.60 2379.03 2396.01 2416.86 2432.00 2456.22 2476.17 2481.15 2544.99 2559.03 2575.25 2598.22 2622.34 2882.34 4607.20 4607.39 4612.62 4626.45 4665.94 4680.03 4681.24 4685.10 4685.25 4697.34 4699.28 4723.30 4724.95 4729.40 4781.78 4786.26 4800.55 4828.48 4835.42 4854.66 4878.52 4878.84 4993.81 5524.37 5533.12 5535.79 5542.14 0.538455 0.570432 0.571376 0.469184 -2059.285492 -2059.253515 -2059.252571 -2059.354763 3.427536D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2020 DUDE Cc1cccc(c1C)NC(=S)NNC(=O)c2cc3n(n2)[C@@H](C[C@H](N3)c4ccc(c(c4)C)C)C(F)(F)F C02794167 RHF 6-31G(d) (6D,10F) C1 516.191916 |X|Y|Z| 39.502834 54.625186 158.688544 69.960932 26 6 7 20 6 |36.858105| |12.596831|36.858105| |7.601295|13.748921|36.858105| |5.022622|7.885435|13.750550|36.858105| |4.436874|6.848624|7.987158|13.827270|36.858105| |5.020806|7.948520|6.938110|7.965142|13.734556|36.858105| |7.517992|13.578211|7.902153|6.802008|7.856842|13.705758|36.858105| |6.500862|7.547369|5.020067|4.418655|4.992083|7.515711|12.610359|36.858105| |3.818818|5.119299|4.562292|5.178947|7.912207|13.309734|7.760420|6.518730|53.358707| |3.295440|4.138200|3.738844|4.156616|5.744833|7.742563|5.723737|5.436398|19.494634|36.858105| |3.285339|3.996759|3.638262|3.920328|4.946086|6.029497|5.111594|4.892416|9.673688|11.371530|388.023441| |2.726881|3.256874|2.992923|3.292108|4.279103|5.220859|4.220906|4.272418|11.383397|13.947528|51.663104|53.358707| |2.528849|2.998236|2.801494|3.106147|3.991753|4.664031|3.786544|3.787742|9.698487|7.966503|34.696466|18.905469|53.358707| |2.265162|2.681216|2.604369|2.964212|3.756135|4.019916|3.234643|3.100246|7.494757|5.848171|29.113085|10.923411|18.889692|36.858105| |2.218793|2.647357|2.635591|3.073371|3.906085|3.965048|3.132714|2.910812|7.042279|5.677216|30.290973|9.498736|11.476143|15.980991|73.516695| |2.031654|2.349148|2.291382|2.563283|3.106143|3.267528|2.753528|2.678847|5.630370|4.130305|22.230614|7.055494|10.787818|12.795428|14.388372|36.858105| |1.831119|2.099277|2.090983|2.350561|2.769220|2.797154|2.386724|2.287574|4.540005|3.294213|18.813504|5.254615|6.933430|7.374330|11.422091|13.537309|36.858105| |1.710589|1.926751|1.904381|2.097580|2.415789|2.468223|2.169422|2.117339|3.922492|2.817422|16.395618|4.438197|5.713201|5.245638|7.985914|8.749676|13.906768|36.858105| |1.792458|2.007900|1.947306|2.113656|2.445809|2.576145|2.292198|2.289415|4.168827|2.988135|17.075495|4.810763|6.410787|5.402312|7.621641|9.095529|8.699532|14.115032|53.358707| |1.995363|2.265368|2.169907|2.365419|2.811894|3.040032|2.656675|2.671204|5.172731|3.748439|20.426588|6.373871|9.500963|7.848156|9.660094|14.669432|8.449016|8.547127|19.310043|53.358707| |1.670943|1.835641|1.767349|1.882334|2.133179|2.261490|2.071447|2.107578|3.570114|2.557839|15.025239|4.029487|5.062768|3.937866|5.810864|5.469482|5.304545|7.667191|17.929896|10.603515|36.858105| |1.593534|1.738880|1.667226|1.766443|1.996523|2.127471|1.962120|2.017813|3.365051|2.467081|14.714399|3.935767|4.834819|3.702560|5.523157|4.905925|4.671437|6.219988|12.478948|9.165295|17.584401|0.500000| |1.529397|1.670405|1.629704|1.736796|1.934532|2.007325|1.848145|1.855111|3.079037|2.188319|13.154048|3.343282|4.047731|3.215170|4.992591|4.265989|4.630633|6.879524|10.735806|7.022755|12.430734|0.244083|36.858105| |1.443039|1.582841|1.562288|1.681519|1.870531|1.909448|1.740795|1.725257|2.918558|2.101145|12.792163|3.209351|3.837605|3.177581|5.099052|4.218812|5.083799|7.835184|9.278799|6.299464|7.479518|0.181606|12.414635|36.858105| |1.372092|1.498033|1.487197|1.597245|1.756640|1.777340|1.629968|1.607906|2.673205|1.912278|11.776650|2.870044|3.367882|2.762602|4.525895|3.513648|4.205857|5.824796|6.906412|5.099940|5.525284|0.136417|9.001829|17.584241|0.500000| |1.545713|1.720068|1.712334|1.872559|2.107699|2.126496|1.900540|1.853701|3.276916|2.348647|14.101916|3.596184|4.387653|3.835491|6.194869|5.383455|7.608460|13.884271|10.954330|7.367219|6.583995|0.153357|7.913052|13.108938|0.258972|53.358707| |1.347796|1.469108|1.444649|1.547121|1.717085|1.761422|1.615272|1.614926|2.697726|1.984788|12.289694|3.060424|3.583311|2.935343|4.770415|3.742434|4.323887|5.852777|7.385939|5.539076|6.031143|0.178091|7.460477|12.473776|0.249312|10.293971|36.858105| |1.360611|1.488779|1.462834|1.572866|1.758201|1.806851|1.646104|1.646649|2.797303|2.098689|13.050267|3.290099|3.835730|3.192856|5.233272|4.031736|4.637298|5.795640|7.196043|5.769962|5.276366|0.165141|5.392464|7.428573|0.159351|8.794405|13.782018|36.858105| |1.265980|1.374349|1.347673|1.439370|1.597301|1.644730|1.512462|1.522581|2.527982|1.918700|12.180559|2.992678|3.386058|2.747860|4.582711|3.268732|3.579220|4.117799|5.365131|4.645463|4.038744|0.129827|4.048132|4.973759|0.118576|5.990918|7.932637|13.707292|36.858105| |1.178899|1.268782|1.243115|1.317656|1.447666|1.490615|1.385911|1.400775|2.263279|1.706012|10.933962|2.621234|2.927479|2.323299|3.884334|2.709976|2.920531|3.364377|4.489424|3.904981|3.554645|0.113417|3.720291|4.390840|0.111230|5.016339|6.772636|7.860172|13.775599|36.858105| |1.169630|1.255499|1.230930|1.301341|1.423137|1.463346|1.366090|1.379763|2.207057|1.640983|10.461266|2.496905|2.806493|2.215013|3.678068|2.613265|2.834261|3.373671|4.531331|3.826403|3.760828|0.117343|4.240265|5.002895|0.132373|5.255756|7.824233|6.834001|7.953991|13.571398|36.858105| |1.243617|1.341690|1.317537|1.398378|1.534601|1.575314|1.463170|1.471092|2.381976|1.751447|11.008780|2.665840|3.052045|2.433811|3.997187|2.964315|3.289639|4.144115|5.500574|4.396592|4.714664|0.142159|5.897528|7.588583|0.199799|6.888038|13.662020|8.001732|6.966325|7.933208|13.773145|36.858105| |1.083607|1.153931|1.131151|1.187929|1.287388|1.322730|1.246400|1.262195|1.973283|1.462589|9.421638|2.198037|2.435594|1.893483|3.164920|2.181467|2.329172|2.703176|3.673208|3.184931|3.055608|0.093207|3.440481|3.801415|0.105990|4.145019|4.999658|4.431703|5.024232|7.509971|12.604903|7.594438|36.858105| |1.099575|1.176251|1.151591|1.214754|1.326749|1.366470|1.279040|1.297123|2.060982|1.564349|10.190662|2.386910|2.610130|2.042914|3.457252|2.304224|2.432913|2.693983|3.627950|3.283374|2.830878|0.089178|2.893030|3.256674|0.084789|3.903243|4.406079|5.008314|7.584815|12.607945|7.503748|5.017000|6.433668|36.858105| |1.788396|1.948551|1.849160|1.940206|2.189011|2.364688|2.207634|2.287347|3.709194|2.600620|15.173562|4.023310|4.997275|3.622833|5.316853|4.617509|4.167622|5.196834|10.558948|8.899274|12.493057|0.251208|7.599155|4.915841|0.115011|6.182421|4.147733|3.733117|3.109672|2.856784|3.030263|3.604301|2.612744|2.389976|36.858105| |1.901787|2.066988|1.927614|2.005439|2.282170|2.530345|2.382306|2.535033|4.050264|2.877016|16.618008|4.541225|5.643870|3.832052|5.507109|4.617836|3.866208|4.431916|8.768918|9.124004|8.044198|0.209291|5.177509|3.881399|0.092053|5.088024|3.524019|3.374852|2.918618|2.666151|2.736280|3.106505|2.383702|2.289260|14.480173|97.533100| |1.637896|1.755899|1.668212|1.731435|1.918516|2.059024|1.957247|2.038913|3.152371|2.222056|13.335380|3.371594|4.007253|2.898443|4.408751|3.519648|3.314870|4.061285|7.220662|6.173656|8.202247|0.202344|6.938563|4.488612|0.110448|5.261194|3.934927|3.425907|2.953709|2.832756|3.102992|3.669743|2.758978|2.390446|14.356219|20.190049|97.533100| |1.921569|2.107984|2.008646|2.112818|2.380719|2.557346|2.381044|2.430901|3.958240|2.678989|15.451581|4.028476|5.018027|3.648187|5.389152|4.573886|4.173971|5.025396|9.280533|8.223115|8.063845|0.163231|6.441331|4.455957|0.109287|5.992701|3.581411|3.223602|2.693655|2.480996|2.633559|3.125504|2.309980|2.104527|14.452568|20.088842|20.075039|97.533100| |17.549237|8.815160|5.869938|4.284720|3.966963|4.599075|6.716988|6.666740|4.986873|3.300534|24.418657|3.718419|3.377202|2.202780|3.840095|1.964216|1.763261|1.647516|2.356744|2.632237|1.619128|0.043247|1.475695|1.394867|0.036755|2.025298|1.313696|1.333029|1.247644|1.162404|1.148570|1.214754|1.065217|1.089115|1.728159|4.169542|3.571042|4.124936|0.500000| |17.535810|8.802473|5.926215|4.302056|3.957384|4.557032|6.615173|6.471210|4.950980|3.110411|21.290509|3.595129|3.402220|2.227461|3.819970|2.029183|1.825816|1.724567|2.481330|2.752018|1.715414|0.045321|1.569370|1.466628|0.038768|2.124915|1.365074|1.369636|1.272348|1.188828|1.184990|1.262917|1.100051|1.106834|1.861022|4.462271|3.850774|4.527500|0.302592|0.500000| |17.585275|8.862938|7.358068|4.794700|3.992499|4.191071|5.558895|4.761172|4.435496|2.860787|20.543173|3.278522|3.068792|2.060736|3.624944|1.865547|1.705699|1.597089|2.257340|2.483531|1.550267|0.041071|1.434004|1.360696|0.036141|1.982166|1.271568|1.281204|1.194746|1.116075|1.108888|1.177467|1.030893|1.043410|1.648831|3.904454|3.420697|3.986059|0.302054|0.302150|0.500000| |7.093321|8.947451|17.705727|8.938960|5.673190|4.984799|5.631307|4.095356|4.937624|3.095926|21.880332|3.487548|3.294643|2.280348|4.113534|2.042178|1.890964|1.738410|2.408217|2.645984|1.621247|0.042579|1.510464|1.452064|0.038641|2.153433|1.345848|1.358513|1.256980|1.165813|1.156942|1.235226|1.068826|1.083945|1.694059|3.947728|3.475035|4.131733|0.152509|0.154996|0.228892|0.500000| |4.100543|5.623763|8.902207|17.721750|8.932392|5.654002|4.915390|3.536825|5.712614|3.537052|24.127671|3.966881|3.800187|2.747584|5.152615|2.413414|2.265665|2.021452|2.730740|3.008791|1.787779|0.046584|1.670875|1.633899|0.043392|2.484275|1.502640|1.525767|1.397521|1.281306|1.266543|1.360476|1.158175|1.182544|1.823945|4.191447|3.683227|4.464315|0.099294|0.099834|0.114207|0.215371|0.500000| |3.548896|4.940578|5.654863|8.898951|17.728076|8.952014|5.625482|4.086107|10.012624|5.742696|34.192115|6.084804|5.810890|4.246895|8.226550|3.437086|3.097995|2.630198|3.551338|4.086231|2.230978|0.057826|2.028451|1.987783|0.051734|3.101120|1.819580|1.873664|1.691972|1.521569|1.490746|1.611989|1.340089|1.388706|2.244440|5.209355|4.393508|5.476265|0.090420|0.090140|0.090792|0.124269|0.213768|0.500000| |6.900975|6.865709|4.643565|3.960465|4.243607|5.763961|8.843599|17.557328|6.902987|4.255742|27.234448|4.871989|4.532811|2.783679|4.610965|2.487729|2.150400|2.025283|2.995643|3.437241|2.060558|0.054625|1.826330|1.682822|0.043787|2.437737|1.569446|1.585043|1.466243|1.358934|1.347907|1.439300|1.239907|1.258564|2.273519|5.653093|4.612652|5.485271|0.188510|0.222197|0.138523|0.109709|0.090223|0.098270|0.500000| |6.318989|6.583595|4.559521|3.971384|4.336890|5.990062|8.869720|17.552170|7.269795|4.981316|36.044580|5.381305|4.619388|2.815872|4.779498|2.430360|2.096190|1.941874|2.839961|3.286650|1.932646|0.051976|1.709492|1.602403|0.041562|2.331513|1.516535|1.555070|1.451690|1.338991|1.312843|1.388781|1.205355|1.249436|2.075362|5.173517|4.207349|4.884008|0.207781|0.164571|0.130889|0.107050|0.090449|0.100940|0.301923|0.500000| |4.770671|5.566847|4.173783|3.951502|4.717720|7.174343|8.829144|17.647414|10.489913|6.547446|37.721649|7.156175|6.269447|3.565220|5.777783|3.039041|2.524091|2.331356|3.489799|4.174340|2.346301|0.062535|2.025066|1.870470|0.047971|2.737429|1.752547|1.794577|1.653358|1.512420|1.485461|1.586626|1.350589|1.394674|2.561188|6.529174|5.062584|6.075024|0.134815|0.134352|0.104622|0.096060|0.090023|0.112689|0.302096|0.303156|0.500000| |3.450665|4.454293|4.063062|4.611500|6.650823|9.147531|6.245394|5.568080|26.006056|9.582023|38.069304|10.855731|11.640133|6.463964|9.963887|4.923638|3.831771|3.301176|4.851076|6.184395|2.992733|0.076971|2.545403|2.383445|0.060221|3.676404|2.168271|2.231701|1.987580|1.772387|1.738216|1.896538|1.544720|1.596841|3.135883|7.690403|5.858929|7.676835|0.090559|0.094286|0.082970|0.092089|0.107470|0.183202|0.130403|0.125186|0.186443|0.500000| |2.469397|2.890005|2.694281|2.952481|3.710330|4.302574|3.600435|3.651097|8.250698|9.543792|50.732241|26.011815|12.793347|7.060985|12.012967|4.744375|3.671279|3.098960|4.491523|5.776637|2.788871|0.077158|2.334987|2.279482|0.056637|3.460404|2.217378|2.425856|2.238675|1.950705|1.834352|1.936186|1.613014|1.791516|2.724136|6.865089|5.213350|6.018144|0.069497|0.066053|0.061385|0.065138|0.074045|0.108896|0.086296|0.097543|0.120017|0.158019|0.500000| |2.433888|2.814666|2.592494|2.799953|3.475833|4.097045|3.520248|3.683645|7.949846|6.203037|29.693788|12.867598|25.998639|9.340482|10.883299|7.572793|4.856315|4.294028|7.068924|11.115833|4.205707|0.112541|3.217925|2.956713|0.071351|4.479990|2.767489|2.939251|2.591245|2.250046|2.167040|2.362598|1.878144|1.997009|4.283023|11.554522|7.545882|9.409931|0.066538|0.067932|0.060178|0.062887|0.070065|0.100262|0.092327|0.091541|0.126568|0.195319|0.202670|0.500000| |1.783330|2.051755|2.076440|2.364114|2.768325|2.718521|2.303610|2.171573|4.316671|3.148122|18.441709|4.874086|6.055871|6.421330|11.618527|8.543475|17.836482|8.651580|8.021250|7.907498|4.143594|0.104411|3.851900|4.388425|0.106170|8.758617|3.843685|4.162919|3.324907|2.734099|2.634802|3.005113|2.190538|2.314666|3.395353|7.155447|6.335114|7.755866|0.047658|0.048994|0.046484|0.052384|0.064236|0.087722|0.056493|0.055671|0.065620|0.098705|0.096333|0.113553|0.500000| |1.578944|1.727388|1.692523|1.805350|2.001874|2.064052|1.901272|1.893032|3.130579|2.182953|13.069998|3.276723|3.961931|3.137085|4.899155|4.096935|4.462689|6.326380|9.396848|6.558653|8.877518|0.174051|17.575794|8.912155|0.224012|9.829085|5.502163|4.266602|3.339950|3.105530|3.502073|4.629988|2.973338|2.502020|7.215323|10.927468|14.793910|16.604251|0.042013|0.045174|0.041202|0.043626|0.048341|0.058214|0.052087|0.048114|0.057046|0.072397|0.062836|0.086587|0.104886|0.500000| |1.441498|1.557689|1.514447|1.598723|1.763985|1.836309|1.713021|1.734698|2.790242|1.993190|12.157302|3.025017|3.578558|2.775884|4.362781|3.510279|3.702285|5.012978|7.766075|5.709889|8.886111|0.218957|17.639624|8.831313|0.213277|7.737614|6.959565|4.935138|3.955305|3.851444|4.627853|6.502660|3.859982|3.004964|6.789566|10.861876|17.001773|12.444678|0.038770|0.041210|0.037626|0.039199|0.042738|0.050945|0.047733|0.044676|0.052396|0.063311|0.059072|0.079359|0.088451|0.301870|0.500000| |1.482901|1.650966|1.657047|1.821134|2.039737|2.032320|1.811615|1.753869|3.105057|2.243149|13.667745|3.407383|4.067000|3.604408|6.064499|4.795516|7.016527|9.539144|8.094393|6.155178|4.959443|0.123428|5.729045|9.126614|0.220109|26.019186|6.801716|6.303883|4.420905|3.667872|3.760929|4.750795|2.977631|2.881705|3.678351|7.102809|7.253359|8.091259|0.039702|0.041370|0.038994|0.042685|0.049721|0.061706|0.046898|0.045298|0.052494|0.070145|0.067739|0.082999|0.187985|0.149074|0.126464|0.500000| |1.444138|1.594675|1.569831|1.702520|1.923595|1.973637|1.775374|1.765126|3.093583|2.335656|14.366824|3.713743|4.401145|3.803569|6.226958|4.960428|5.947201|7.199087|8.319377|6.783671|5.378680|0.161797|5.105931|6.794669|0.144058|9.803411|8.883456|17.735712|8.956161|5.633950|4.933751|5.655316|3.545939|4.106882|3.787244|7.840338|7.484211|7.489755|0.039275|0.040217|0.037677|0.040279|0.045824|0.057489|0.046822|0.046191|0.053672|0.068839|0.076334|0.092500|0.146019|0.116314|0.122937|0.199196|0.500000| |1.264377|1.374026|1.347168|1.440631|1.602032|1.650265|1.514497|1.525049|2.544225|1.957339|12.541603|3.070250|3.426431|2.784215|4.706155|3.217823|3.463902|3.772492|4.916904|4.465248|3.561318|0.113445|3.433109|4.061779|0.098223|5.235501|5.657321|8.950672|17.706914|8.953800|5.649462|4.999508|4.087558|7.059752|2.829354|6.148200|5.977692|5.576607|0.034748|0.035148|0.033134|0.034874|0.038848|0.047231|0.040565|0.040609|0.046027|0.055106|0.064762|0.072208|0.090911|0.080993|0.092103|0.109061|0.218132|0.500000| |1.223695|1.315363|1.292906|1.367543|1.491604|1.528367|1.427072|1.433872|2.291187|1.668170|10.492079|2.511214|2.866914|2.265331|3.722134|2.737832|3.020673|3.794631|5.086618|4.076854|4.464420|0.128409|6.023823|7.126378|0.215103|6.379796|8.918520|5.675856|4.996948|5.647525|8.980804|17.674613|7.108317|4.090367|3.574021|6.783892|8.499630|7.109915|0.033108|0.034642|0.032252|0.033774|0.037008|0.043344|0.039210|0.037522|0.042773|0.050737|0.050290|0.061668|0.076981|0.136769|0.199950|0.120708|0.124135|0.108256|0.500000| |1.033458|1.099841|1.082095|1.137461|1.228509|1.255969|1.183219|1.193760|1.864978|1.385199|8.990299|2.071263|2.276575|1.776490|3.003066|2.022877|2.173240|2.474417|3.303232|2.902960|2.668231|0.080141|2.976288|3.348504|0.094729|3.793365|4.278717|3.963160|4.588779|6.670889|8.821079|5.897288|17.543848|6.508187|2.302731|4.771421|5.396688|4.661631|0.028238|0.029065|0.027389|0.028473|0.030914|0.035575|0.032529|0.031762|0.035342|0.040356|0.042394|0.048350|0.057641|0.073063|0.090063|0.077443|0.090348|0.107833|0.154047|0.500000| |1.080802|1.149001|1.127241|1.181869|1.276610|1.309880|1.237407|1.251712|1.944827|1.429956|9.187195|2.135544|2.372046|1.838899|3.066820|2.124288|2.271665|2.659624|3.623249|3.115830|3.059995|0.091180|3.572561|3.865019|0.111847|4.133901|4.769559|3.983783|4.189166|5.550466|8.850151|7.326621|17.586592|4.724352|2.656641|5.363422|6.440771|5.334687|0.029431|0.030564|0.028597|0.029636|0.032033|0.036836|0.034304|0.033112|0.037115|0.042405|0.043236|0.050854|0.059260|0.086994|0.114582|0.081697|0.090603|0.096112|0.228704|0.302009|0.500000| |1.071012|1.136000|1.108654|1.159107|1.255438|1.296956|1.228216|1.251956|1.935916|1.440203|9.312195|2.166962|2.386726|1.832971|3.053922|2.089708|2.187246|2.508461|3.484538|3.075542|2.920240|0.090672|3.169681|3.350343|0.091371|3.732807|4.277550|3.958160|4.581556|6.663742|8.822302|5.896151|17.543063|6.499576|2.553660|5.339681|6.134338|5.031671|0.029335|0.030237|0.028269|0.029104|0.031302|0.036146|0.034204|0.033306|0.037257|0.041969|0.044263|0.051409|0.056901|0.076365|0.099350|0.073777|0.090205|0.107637|0.153845|0.302739|0.302017|0.500000| |1.045009|1.115952|1.097020|1.157094|1.256962|1.287081|1.206458|1.218334|1.926247|1.456179|9.537585|2.200136|2.393187|1.877244|3.206508|2.103224|2.242693|2.467878|3.274492|2.964408|2.536155|0.077901|2.648918|3.009166|0.080633|3.631949|3.940644|4.287610|5.895624|8.818448|6.654624|4.577980|6.496919|17.540949|2.167711|4.641616|4.901108|4.366956|0.028719|0.029199|0.027643|0.028782|0.031415|0.036554|0.032892|0.032630|0.036192|0.041354|0.045792|0.050503|0.060054|0.064758|0.076445|0.075555|0.099781|0.153345|0.107858|0.211639|0.133023|0.173249|0.500000| |1.083924|1.153828|1.124764|1.179953|1.285922|1.331384|1.254337|1.280468|2.004876|1.520654|9.925710|2.316199|2.522481|1.944537|3.269097|2.178935|2.258367|2.501901|3.451215|3.149303|2.749775|0.087478|2.782519|3.010624|0.078529|3.578915|3.940459|4.283094|5.886283|8.818697|6.659011|4.578126|6.498911|17.541653|2.373169|5.159970|5.433701|4.666696|0.029876|0.030389|0.028549|0.029435|0.031823|0.037177|0.034629|0.034313|0.038260|0.043099|0.048182|0.054028|0.059226|0.067022|0.081880|0.072145|0.099624|0.152958|0.107786|0.173515|0.133020|0.211390|0.302671|0.500000| 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