Version2.4 2021-06-07T04:02:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 28-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)NC(=O)C[C@H]2C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4c([nH]c(=O)[nH]c4=O)[O-] C20559526 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)NC(=O)C[C@H]2C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4c([nH]c(=O)[nH]c4=O)[O-] C01[X(C24H21F1N5O5S1)] 165 C1 586 CCc1ccc(cc1)NC(=O)C[C@@H]1SC(=NC1=O)N[C@H](c1c([O-])[nH]c(=O)[nH]c1=O)c1ccc(cc1)F CCc1ccc(cc1)NC(=O)C[C@@H]1SC(=NC1=O)N[C@H](c1c([O-])[nH]c(=O)[nH]c1=O)c1ccc(cc1)F CCc1ccc(NC(=O)C[C@@H]2SC(=NC2=O)N[C@@H](c3ccc(F)cc3)C4=C([O-])NC(=O)NC4=O)cc1 InChIKey=TUGMKKMOISCIET-LPHOPBHVSA-M InChI=1S/C24H22FN5O5S/c1-2-12-3-9-15(10-4-12)26-17(31)11-16-20(32)30-24(36-16)27-19(13-5-7-14(25)8-6-13)18-21(33)28-23(35)29-22(18)34/h3-10,16,19H,2,11H2,1H3,(H,26,31)(H,27,30,32)(H3,28,29,33,34,35)/p-1/t16-,19-/m0/s1 InChI=1/C24H22FN5O5S/c1-2-12-3-9-15(10-4-12)26-17(31)11-16-20(32)30-24(36-16)27-19(13-5-7-14(25)8-6-13)18-21(33)28-23(35)29-22(18)34/h3-10,16,19H,2,11H2,1H3,(H,26,31)(H,27,30,32)(H3,28,29,33,34,35)/p-1/t16-,19-/m0/s1/fC24H21FN5O5S/h26-29H/q-1 CCc1ccc(cc1)NC(=O)C[C@H]2C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4c([nH]c(=O)[nH]c4=O)[O-] C01[X(C24H21F1N5O5S1)] 165 C01 586 CCc1ccc(cc1)NC(=O)C[C@@H]1SC(=NC1=O)N[C@H](c1c([O-])[nH]c(=O)[nH]c1=O)c1ccc(cc1)F CC[C]1[CH][CH][C]([CH][CH]1)NC(=O)C[C@@H]1S[C]([N][C]1=O)[NH][C@H]([C]1[C](=O)NC(=O)N[C]1[O])[C]1[CH][CH][C]([CH][CH]1)F CC[C]1[CH][CH][C]([CH][CH]1)NC(=O)C[C@@H]2S[C]([N]C2=O)N[C@@H]([C]3[CH][CH][C](F)[CH][CH]3)[C]4[C]([O])NC(=O)NC4=O InChIKey=MMDFTXKBQFHVIM-LPHOPBHVSA-N InChI=1S/C24H21FN5O5S/c1-2-12-3-9-15(10-4-12)26-17(31)11-16-20(32)30-24(36-16)27-19(13-5-7-14(25)8-6-13)18-21(33)28-23(35)29-22(18)34/h3-10,16,19H,2,11H2,1H3,(H,26,31)(H,27,30,32)(H2,28,29,33,35)/t16-,19-/m0/s1 InChI=1/C24H21FN5O5S/c1-2-12-3-9-15(10-4-12)26-17(31)11-16-20(32)30-24(36-16)27-19(13-5-7-14(25)8-6-13)18-21(33)28-23(35)29-22(18)34/h3-10,16,19H,2,11H2,1H3,(H,26,31)(H,27,30,32)(H2,28,29,33,35)/t16-,19-/m0/s1/f/h26-29H 3746.0683066785 -2064.7652148 1-A 31113.4112 133 453 586 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.87623 -26.21783 -20.47916 -20.43938 -20.41855 -20.39921 -20.39168 -15.54881 -15.49941 -15.49054 -15.48753 -15.44499 -11.30129 -11.28145 -11.27341 -11.25701 -11.23336 -11.23243 -11.22863 -11.22536 -11.19598 -11.18507 -11.18373 -11.18327 -11.18317 -11.18232 -11.18008 -11.17276 -11.17114 -11.17012 -11.14028 -11.13957 -11.13836 -11.13790 -11.13388 -11.07809 -8.88784 -6.57040 -6.56933 -6.56725 -1.53270 -1.34674 -1.31168 -1.30268 -1.26073 -1.25663 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1529.6531 1553.9123 1559.9187 1573.9771 1590.3003 1608.3136 1614.6319 1630.0708 1634.9429 1640.2855 1653.2673 1689.9321 1693.3119 1694.0815 1714.7875 1729.3903 1793.1867 1793.8227 1813.3237 1818.4798 1823.7737 1890.2465 1961.2678 1967.2615 1974.2097 3196.8593 3204.3723 3220.6251 3231.8687 3259.9061 3263.8878 3273.4402 3309.6840 3331.9232 3336.8445 3349.5401 3358.5353 3378.5844 3380.5800 3397.3073 3398.5837 3463.0472 3757.9239 3873.8939 3886.5189 3889.5345 5.8727 5.9078 4.3411 5.5939 6.2787 4.4198 6.1804 3.7194 9.4450 10.5728 9.4772 6.3384 5.4343 9.7903 5.0968 8.3988 8.1167 12.7312 6.2683 5.7136 8.5614 7.7991 4.6024 2.2790 2.5216 4.3899 6.9964 3.8341 3.9428 9.9482 5.1660 4.1574 13.1866 3.3213 6.2741 4.0755 3.0885 4.2922 5.6622 9.7674 5.1187 4.7428 4.3577 1.5060 8.7616 4.1338 3.3265 4.4508 1.1705 3.6649 2.3087 1.0520 7.3133 8.3730 6.7870 7.2671 8.3452 5.5606 5.6663 5.1785 2.5919 4.0511 2.3210 4.2900 4.4849 3.7476 3.9969 1.1984 10.0296 6.1523 5.0183 4.8581 1.3618 1.5352 4.3218 2.0238 1.3926 2.6604 5.5916 2.4243 4.3049 1.3560 1.4389 2.3414 1.3394 2.9006 2.8551 1.6015 2.9361 2.8457 1.7008 3.2412 1.7945 1.8979 1.8468 4.3117 3.4272 2.5568 1.5255 2.1410 2.1895 1.2047 1.2855 2.4425 2.2613 1.8165 2.4480 3.8127 1.7762 2.9082 1.9688 3.8367 1.3518 1.3879 1.3219 1.8510 1.5043 1.5578 1.6666 2.1879 1.6569 1.2444 2.4193 2.1313 1.1047 8.2323 7.8211 1.0550 1.0420 1.0908 2.0917 2.3296 2.4806 2.4662 5.8437 6.0853 3.6723 4.6967 5.6198 5.4846 8.3486 7.5070 8.7473 12.6628 1.0422 1.0556 1.0612 1.1045 1.1018 1.1027 1.1043 1.0862 1.0869 1.0883 1.0914 1.0956 1.0903 1.0906 1.0956 1.0960 1.0934 1.0816 1.0780 1.0785 1.0790 0.0002 0.0004 0.0007 0.0016 0.0025 0.0033 0.0053 0.0039 0.0124 0.0170 0.0248 0.0205 0.0239 0.0705 0.0472 0.1092 0.1212 0.2128 0.1109 0.1119 0.1906 0.1968 0.1333 0.0731 0.0928 0.1815 0.3499 0.2200 0.2707 0.7474 0.4653 0.4077 1.3882 0.3576 0.7263 0.4837 0.3829 0.5480 0.7320 1.4344 0.8685 0.8389 0.8058 0.2824 1.6920 0.8744 0.7510 1.0228 0.2736 0.8589 0.5705 0.2942 2.0813 2.4056 1.9595 2.1846 2.5631 1.8558 1.9266 1.7962 0.9775 1.5487 0.8984 1.6896 1.8237 1.5472 1.6853 0.5114 4.3762 2.7803 2.3098 2.4203 0.6893 0.7813 2.2009 1.0556 0.7588 1.4776 3.4669 1.5452 2.8588 0.9126 0.9763 1.6088 0.9702 2.1234 2.0919 1.1842 2.1814 2.1523 1.3285 2.6662 1.4777 1.5718 1.5892 3.7385 3.2527 2.4518 1.4856 2.0867 2.1695 1.2241 1.3091 2.4947 2.3479 1.9487 2.6580 4.2171 2.0218 3.3828 2.3049 4.6052 1.6503 1.7130 1.6864 2.3700 1.9885 2.0683 2.2264 3.0162 2.3572 1.7841 3.5313 3.1758 1.6837 12.6449 12.2442 1.6615 1.6518 1.7566 3.5196 3.9355 4.1944 4.2727 10.2974 11.5288 6.9623 9.0991 10.9493 10.7481 17.5752 17.0133 19.9456 29.0781 6.2756 6.3864 6.4853 6.7973 6.8988 6.9214 6.9716 7.0102 7.1094 7.1396 7.2146 7.2809 7.3329 7.3435 7.4501 7.4586 7.7262 8.9995 9.5314 9.5986 9.6179 0.4266 0.0668 0.0963 0.3899 0.0962 2.5881 0.0585 0.3367 0.9569 0.8973 1.5566 2.4468 5.6795 5.2551 0.8096 3.1285 10.3908 2.1209 6.5382 2.6799 1.6918 0.5902 3.8422 6.0722 15.2022 0.5141 0.7587 0.3353 6.7061 0.2490 0.8791 12.8970 22.9418 6.8139 4.7580 1.5894 0.3858 13.3781 20.9576 8.3204 23.2079 34.7829 51.3617 61.0752 35.3196 19.3029 20.7283 47.3931 7.7537 21.7875 3.0944 201.5380 0.8841 21.9648 2.3802 8.4749 43.6044 7.1233 12.7241 12.5241 2.3508 21.7472 59.7544 4.5458 6.1582 12.3696 25.1804 1.2445 47.4485 126.5812 11.3730 21.2854 3.9003 23.8939 53.1284 48.2728 31.3330 21.8011 3.8322 0.9285 12.6151 0.7537 1.1207 21.5415 1.7772 2.6989 15.3733 6.6075 12.1875 32.8553 2.3803 2.6287 10.3140 11.8707 14.3196 19.8400 75.6576 13.9069 14.9464 117.4844 1.4213 11.1767 47.3939 19.5334 6.4745 13.7296 28.2513 124.5713 243.3681 469.8928 59.4939 352.5845 27.2584 24.5111 19.6011 141.0398 15.5277 45.9947 82.0782 91.1115 7.8544 0.8803 131.2563 10.2247 6.7577 399.4550 317.4582 0.2052 5.3214 2.3210 444.4297 49.0934 133.0781 1113.9910 1252.8184 61.0983 122.5709 835.0741 35.8052 54.9412 381.5833 1124.6654 220.6104 314.5643 49.1083 50.2200 13.4640 12.2916 80.3326 6.5323 50.6338 5.6791 0.4163 24.0468 30.4918 24.5685 15.4716 7.9782 10.5105 3.5270 2.0043 318.7339 29.0824 85.5772 66.6836 2.2175 1.7671 3.0020 4.0517 4.6186 1.5426 3.7791 2.4636 1.5145 1.5215 1.5708 0.8093 0.2163 0.5226 1.4916 0.3720 0.6521 0.1320 0.3234 0.6069 0.1711 1.7337 0.4230 0.4996 0.4056 1.0293 1.0348 0.6841 1.7034 0.5468 3.2642 1.7654 0.9854 0.4027 0.1349 1.8545 0.0685 1.1347 1.8511 2.6736 4.0801 2.2982 2.3997 2.7055 0.9800 1.4786 1.3482 4.7946 2.7258 1.2563 0.6462 2.4053 8.2626 6.2650 4.8140 10.7794 2.0648 1.5944 17.5030 10.6048 0.1201 4.1055 0.9490 2.8516 10.4208 0.6196 2.2122 0.6937 0.4410 3.8272 3.1382 23.8736 3.1804 4.0754 18.4287 3.6382 1.2660 1.8299 3.9657 10.7476 10.0209 2.4032 0.9938 2.1165 1.0321 0.7287 0.9382 0.2502 1.8215 1.0331 5.3966 9.7822 1.6072 4.1276 0.8461 6.4236 3.0245 3.4630 3.5103 8.5387 7.3789 20.2506 8.7840 5.9100 4.9308 13.5154 10.6029 5.9856 23.7718 7.9888 11.5917 25.2830 2.8501 9.7196 1.5814 14.9204 14.0691 2.1362 1.9030 1.6569 7.3870 3.7652 6.1580 1.8719 9.2483 15.3496 14.3690 34.1435 22.7903 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12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 31.97207 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 14.00307 1.00783 12.00000 15.99491 15.99491 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 10839.4456 50652.6559 53288.5245 0.99996 0.00126 -0.00895 -0.00152 0.99956 -0.02950 0.00891 0.02951 0.99952 1 0.00799 0.00171 0.00163 0.16650 0.03563 0.03387 9.60 16.15 23.71 31.66 37.60 51.00 54.80 60.37 67.93 75.15 95.84 106.54 124.40 159.01 180.37 213.78 229.08 242.31 249.30 262.29 279.67 297.78 318.95 335.71 359.52 381.13 419.16 448.97 491.19 513.77 562.55 586.98 608.18 615.04 637.77 645.78 660.01 669.75 673.95 718.32 772.08 788.34 806.05 811.64 823.72 862.10 890.65 898.57 906.24 907.43 931.75 991.25 999.94 1004.71 1007.16 1027.72 1038.80 1082.87 1092.98 1103.93 1151.14 1158.96 1166.18 1176.35 1195.27 1204.37 1217.14 1224.39 1238.15 1260.06 1271.67 1323.03 1333.56 1337.16 1337.64 1353.70 1383.65 1396.93 1475.94 1496.47 1527.49 1537.73 1543.95 1553.75 1595.35 1603.79 1604.47 1611.85 1615.67 1630.16 1656.65 1700.05 1700.94 1705.80 1738.81 1745.38 1826.09 1835.54 1849.70 1850.51 1865.83 1889.46 1891.61 1894.33 1909.99 1941.44 1953.16 1971.33 1999.84 2021.57 2028.12 2053.58 2071.05 2082.42 2117.15 2120.99 2155.04 2159.83 2166.47 2200.83 2235.73 2244.38 2264.60 2288.09 2314.00 2323.10 2345.31 2352.32 2360.01 2378.68 2431.44 2436.30 2437.41 2467.20 2488.21 2580.00 2580.91 2608.97 2616.39 2624.00 2719.64 2821.83 2830.45 2840.45 4599.57 4610.38 4633.76 4649.94 4690.28 4696.01 4709.75 4761.90 4793.89 4800.97 4819.24 4832.18 4861.03 4863.90 4887.97 4889.80 4982.55 5406.81 5573.67 5591.83 5596.17 0.465099 0.495423 0.496367 0.395324 -2064.300115 -2064.269792 -2064.268848 -2064.369891 3.388999D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCc1ccc(cc1)NC(=O)C[C@H]2C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4c([nH]c(=O)[nH]c4=O)[O-] C20559526 RHF 6-31G(d) (6D,10F) C1 510.124744 |X|Y|Z| 60.399911 48.737784 158.397194 77.544295 28 6 7 16 22 5 1 |36.858105| |12.423023|36.858105| |7.495596|12.584041|36.858105| |5.643433|7.524961|13.724749|36.858105| |4.143771|4.988207|7.836008|13.751158|36.858105| |3.729453|4.400820|6.766819|7.945010|13.700177|36.858105| |4.152231|5.004403|7.889724|6.948623|7.958033|13.690665|36.858105| |5.641399|7.525198|13.715584|8.036408|6.882940|7.901055|13.790144|36.858105| |2.946046|3.322625|4.514122|5.127563|7.712258|13.540748|7.973706|5.191611|53.358707| |2.561103|2.833070|3.643097|4.300082|6.244273|7.606679|5.144774|3.886042|19.006775|36.858105| |2.566689|2.833345|3.590307|4.482131|6.558062|6.503140|4.437948|3.600026|11.446363|15.896019|73.516695| |2.164149|2.351757|2.891173|3.227470|4.198536|5.035919|4.010817|3.139180|10.768304|12.546841|14.178414|36.858105| |1.925620|2.059264|2.454198|2.760828|3.453645|3.789666|3.107409|2.575134|6.924250|7.492365|12.033714|12.512306|36.858105| |1.903931|2.053239|2.435200|2.783767|3.475020|3.659109|2.969210|2.504377|6.392050|6.963632|12.906887|8.903184|17.644376|0.500000| |1.692529|1.799457|2.098094|2.291803|2.749328|3.031373|2.630094|2.221766|5.274207|4.902621|7.845462|7.591169|12.315079|0.246227|36.858105| |1.633826|1.753471|2.035676|2.199203|2.609427|2.896680|2.559683|2.169220|4.975984|4.427001|7.019557|6.570320|8.039287|0.195877|15.907895|73.516695| |1.585794|1.659672|1.908604|2.068440|2.431525|2.644426|2.339464|2.011328|4.433520|3.932952|6.482895|5.402028|7.775140|0.169305|14.037240|14.856870|53.358707| |1.650891|1.709539|1.967317|2.150970|2.535086|2.719292|2.380359|2.054792|4.513556|4.038874|6.835799|5.196747|7.539151|0.163581|8.597773|10.078865|19.976495|36.858105| |1.913366|1.989863|2.338394|2.636020|3.223213|3.409473|2.838006|2.413995|5.797912|5.665585|10.018822|6.787128|10.532108|0.221267|7.129718|8.871858|9.800872|10.672269|388.023441| |1.552778|1.586923|1.800416|1.951578|2.250797|2.383641|2.127430|1.870251|3.817339|3.268643|5.629809|3.908881|5.018026|0.118630|5.493134|7.437234|11.226559|14.589238|51.003036|53.358707| |1.399014|1.426695|1.598744|1.708695|1.935823|2.052658|1.873319|1.665718|3.229928|2.678765|4.586179|3.174418|3.845080|0.094183|4.499959|6.619921|8.979337|7.744993|33.229846|17.603371|36.858105| |1.353166|1.390006|1.556684|1.664243|1.886078|1.999688|1.824118|1.621679|3.155629|2.633504|4.513359|3.167070|3.903460|0.097231|4.876111|7.322617|10.060986|7.329839|31.203526|12.578916|17.684695|0.500000| |1.396137|1.419283|1.588703|1.673734|1.885553|2.033193|1.890045|1.676911|3.197457|2.573057|4.292386|3.062351|3.469992|0.083513|4.065957|6.226157|7.563133|5.935943|28.450715|10.536057|12.468912|0.249835|36.858105| |1.340627|1.371705|1.532746|1.601553|1.797951|1.956114|1.838624|1.629892|3.080826|2.449904|4.037238|2.958284|3.267899|0.079192|4.015867|6.493398|7.171609|4.915916|24.590191|7.426001|7.541357|0.207185|13.745560|36.858105| |1.317211|1.343556|1.494356|1.541936|1.715300|1.880447|1.800115|1.602123|2.931239|2.268746|3.704093|2.693402|2.834769|0.069165|3.358030|5.623600|5.503541|3.812404|20.899802|5.549284|4.992921|0.134221|7.874852|13.709490|36.858105| |1.347008|1.361111|1.509290|1.548804|1.712688|1.877843|1.812713|1.620909|2.895426|2.207016|3.604818|2.557349|2.637528|0.064374|2.972931|4.913062|4.753374|3.484250|20.057956|5.183956|4.438084|0.112053|6.890512|8.024050|13.876383|36.858105| |1.403509|1.407433|1.562287|1.612837|1.786351|1.944463|1.861735|1.667173|2.988693|2.291786|3.775428|2.617880|2.731304|0.066416|2.981289|4.778089|4.836935|3.775565|21.909678|5.926440|4.981845|0.116681|7.880938|6.883585|7.913036|13.805797|36.858105| |1.430262|1.438383|1.604501|1.679373|1.877796|2.025868|1.902262|1.696694|3.143549|2.475452|4.124025|2.855452|3.107820|0.075056|3.410842|5.277675|5.849077|4.823813|26.208939|8.369133|7.473530|0.155610|13.665517|7.975724|6.872210|8.014508|13.776944|36.858105| |1.307960|1.317901|1.451366|1.472946|1.611947|1.770976|1.737620|1.566043|2.693562|2.013350|3.284075|2.291371|2.304434|0.056943|2.549549|4.310679|3.909530|2.843491|17.174665|4.115334|3.382345|0.087655|4.641293|5.294063|8.142665|14.218591|8.136276|5.297185|97.533100| |1.312543|1.328174|1.471317|1.572068|1.756335|1.830271|1.678950|1.516442|2.810856|2.305160|4.035232|2.615431|3.100723|0.079084|3.423239|5.225831|6.105697|5.232249|26.995534|10.625449|12.604175|0.251541|7.444013|5.249252|3.961659|3.724664|4.279196|6.043373|6.681257|36.858105| |1.200692|1.217539|1.338524|1.423785|1.576591|1.636559|1.512624|1.376680|2.489856|2.025441|3.557841|2.283544|2.671972|0.069737|2.995755|4.752749|5.141763|4.051228|21.883123|7.089739|7.615129|0.207243|5.621794|4.667998|3.638183|3.328532|3.605120|4.594893|6.150265|13.429375|36.858105| |1.138045|1.147858|1.251692|1.329653|1.457991|1.498813|1.391199|1.278972|2.247107|1.812137|3.214899|1.995886|2.296076|0.060852|2.492837|4.008428|4.085347|3.240022|18.796127|5.449393|5.055671|0.134607|4.139183|3.548711|2.967862|2.819076|3.074209|3.731441|5.398903|7.973817|13.560153|53.358707| |1.077198|1.087923|1.181691|1.251798|1.366441|1.403005|1.307650|1.206646|2.094256|1.681107|2.983370|1.846296|2.106860|0.056297|2.296850|3.755651|3.696767|2.856324|16.820639|4.618500|4.191600|0.116560|3.579915|3.221900|2.752033|2.592975|2.757021|3.229022|5.054293|5.807811|9.294660|26.046764|0.500000| |1.152987|1.155196|1.255540|1.335519|1.458010|1.488350|1.381301|1.276449|2.212280|1.777031|3.175203|1.923647|2.193783|0.058275|2.310177|3.693248|3.716043|3.032697|18.384214|5.113655|4.377490|0.110987|3.680508|3.090233|2.661057|2.618397|2.936965|3.541972|5.083688|6.704884|7.704068|19.087125|0.262747|36.858105| |1.092320|1.091205|1.178004|1.250022|1.353797|1.374239|1.281255|1.192853|2.022490|1.612762|2.893867|1.724615|1.941916|0.052066|2.024048|3.276643|3.177965|2.558571|16.021962|4.154391|3.427868|0.088948|3.002271|2.605970|2.308701|2.290347|2.536928|2.944613|4.551605|4.707417|5.334600|11.478870|0.213890|15.801135|73.516695| |1.249073|1.247356|1.362490|1.454753|1.596500|1.630537|1.505266|1.385436|2.432007|1.961047|3.505685|2.117822|2.425197|0.063702|2.509028|3.932061|4.075240|3.473628|21.192040|6.130133|5.018755|0.118714|4.133106|3.285505|2.808822|2.820613|3.289590|4.128180|5.404343|8.001938|6.927759|11.398651|0.166587|13.998386|15.004144|53.358707| |1.259011|1.249851|1.359926|1.452263|1.585159|1.608697|1.487232|1.376598|2.377271|1.905614|3.425636|2.025272|2.291035|0.060448|2.320224|3.648194|3.685201|3.151502|20.123626|5.390127|4.155792|0.099373|3.572522|2.891126|2.537006|2.594072|3.041575|3.704822|5.060089|5.828590|5.086831|8.161659|0.132265|9.441207|13.695349|26.052964|0.500000| |1.344895|1.348507|1.488430|1.594098|1.771479|1.827440|1.675235|1.523596|2.770262|2.257638|3.998370|2.485750|2.896752|0.074411|3.022867|4.613384|5.114004|4.576685|26.332920|9.005263|7.477012|0.157478|5.607271|4.078252|3.338322|3.333037|4.002943|5.492409|6.161994|13.610595|7.778860|9.462113|0.141650|7.727341|9.508521|18.541003|0.258682|36.858105| |1.455272|1.451160|1.608832|1.729057|1.928891|1.988258|1.813922|1.645590|3.012950|2.453847|4.349841|2.666299|3.077115|0.078102|3.086767|4.643935|5.121660|4.814629|29.551928|9.418177|6.429131|0.134843|5.252307|3.808033|3.210191|3.309798|4.111699|5.631573|6.168900|8.072901|5.266266|6.537146|0.106653|5.403318|7.538012|11.590860|0.220813|15.437434|73.516695| |1.160759|1.183460|1.300675|1.378997|1.526429|1.591791|1.476583|1.342358|2.428532|1.971827|3.442518|2.247809|2.621233|0.068715|3.034819|4.932726|5.183968|3.828515|20.492162|6.243322|6.640591|0.213432|5.300435|4.921414|3.795702|3.309386|3.397875|4.136777|6.157780|8.072497|15.688794|11.586366|0.219813|5.409777|7.532830|6.551902|0.106848|5.297573|7.205919|73.516695| |17.551262|8.767967|6.790360|5.019229|3.948670|3.760106|4.370310|5.946748|4.083816|2.568309|4.484576|2.193989|1.937280|0.052593|1.711750|2.933696|2.191954|1.677524|13.743920|2.153174|1.428043|0.038235|1.437275|1.381144|1.365188|1.404405|1.464075|1.482013|3.081758|1.335971|1.219022|1.569876|0.030289|1.168336|1.964767|1.726139|0.035499|1.369177|2.640574|2.093964|0.500000| |17.532423|8.764837|5.472147|4.414119|3.400966|3.095666|3.405964|4.412905|3.445244|2.242473|4.009817|1.929969|1.738455|0.047918|1.545339|2.662960|1.980173|1.510026|12.292935|1.944280|1.296892|0.034912|1.294354|1.246025|1.226850|1.254364|1.303903|1.325548|2.750448|1.223692|1.125645|1.458467|0.028256|1.086445|1.837292|1.595175|0.032854|1.254071|2.401461|1.937163|0.300984|0.500000| |17.554639|8.769833|6.793571|5.951750|4.367886|3.764408|3.960532|5.018665|4.071908|2.648268|4.805394|2.215969|1.992426|0.054855|1.734982|2.951170|2.220966|1.714964|14.302459|2.201279|1.447760|0.038761|1.435836|1.368295|1.336977|1.368715|1.436303|1.473438|2.974106|1.363464|1.242711|1.606421|0.030959|1.200949|2.022962|1.778117|0.036705|1.405960|2.718811|2.125995|0.302013|0.300976|0.500000| |8.858516|17.537130|8.915346|7.117186|4.713479|3.963700|4.218087|5.671095|4.182480|2.702654|4.918404|2.245219|1.995524|0.055979|1.743305|3.025822|2.186140|1.652825|13.686761|2.088810|1.380754|0.037497|1.363386|1.317126|1.284064|1.294934|1.338449|1.374642|2.813341|1.291182|1.188109|1.528888|0.029626|1.130857|1.903499|1.657288|0.033906|1.310970|2.499304|2.054499|0.173062|0.213067|0.210820|0.500000| |8.857336|17.532321|8.911632|5.669565|4.202276|3.959371|4.720680|7.117905|4.195827|2.618685|4.578685|2.222730|1.940658|0.053602|1.720026|3.007346|2.158779|1.619557|13.199080|2.047961|1.363800|0.037025|1.364667|1.328550|1.308864|1.324859|1.360721|1.381600|2.903357|1.267973|1.167544|1.497551|0.029043|1.103725|1.855164|1.615303|0.032956|1.281249|2.438629|2.025830|0.210784|0.213030|0.173066|0.304215|0.500000| |5.535381|6.981518|8.927897|17.688740|8.993233|5.664239|4.989034|5.683415|5.658063|3.741969|7.240835|2.885331|2.558831|0.072745|2.137057|3.639686|2.647665|2.031679|17.648538|2.530075|1.631852|0.044189|1.585666|1.512239|1.450752|1.455973|1.520071|1.589306|3.112437|1.516988|1.379384|1.764640|0.033958|1.307250|2.184711|1.934469|0.039556|1.545757|2.975347|2.370637|0.128906|0.124965|0.172609|0.213048|0.143679|0.500000| |3.542275|4.082146|5.613674|8.920581|17.827924|8.916342|5.658415|4.965842|9.519439|6.825023|15.096351|4.426368|3.790456|0.109126|2.925089|4.870181|3.505296|2.711928|25.335801|3.253683|2.030251|0.055037|1.944415|1.839779|1.733629|1.721018|1.803528|1.921300|3.611680|1.846354|1.653205|2.080527|0.039715|1.530336|2.522024|2.285943|0.046315|1.865945|3.615739|2.837146|0.093039|0.083357|0.106193|0.112058|0.097008|0.217328|0.500000| |3.544454|4.088433|5.631379|4.988746|5.648855|8.897836|17.686199|8.949108|10.013878|4.823450|7.094382|4.064022|3.093500|0.080495|2.687899|4.698211|3.257349|2.405217|19.856650|2.924440|1.908847|0.051682|1.954670|1.921280|1.901361|1.917079|1.950603|1.970083|4.162508|1.696727|1.529872|1.906237|0.036591|1.383903|2.277109|2.048730|0.041147|1.680940|3.224154|2.666331|0.106149|0.083382|0.093153|0.097199|0.112140|0.108094|0.124156|0.500000| |5.520136|6.962905|8.904701|5.678875|4.955255|5.640740|8.974795|17.690033|5.747421|3.278211|5.377734|2.776260|2.308384|0.062094|2.038935|3.565618|2.535800|1.892789|15.451329|2.365937|1.566947|0.042400|1.591275|1.556510|1.544725|1.568879|1.604985|1.616632|3.444073|1.430905|1.305500|1.654832|0.031949|1.212663|2.020145|1.784672|0.036198|1.435869|2.745998|2.268577|0.172019|0.124672|0.128654|0.143452|0.212468|0.124390|0.107709|0.217656|0.500000| |2.766245|3.084056|4.061860|4.296700|5.744487|9.356306|7.665662|4.930025|26.070151|9.486972|10.895685|7.783551|4.847109|0.119631|3.927348|6.708681|4.509283|3.305138|28.591033|3.813796|2.405024|0.065313|2.433495|2.377212|2.291940|2.266134|2.313280|2.398139|4.771489|2.070728|1.836647|2.244586|0.042737|1.615028|2.620094|2.410321|0.047892|2.023631|3.895610|3.201671|0.079746|0.066645|0.076771|0.078339|0.081493|0.098303|0.143183|0.235413|0.117016|0.500000| |2.070934|2.281753|2.782494|3.051778|3.870436|4.656243|3.864570|3.047542|9.379115|8.967780|11.363533|17.539021|8.985536|0.213797|7.197422|13.264695|6.693751|4.403380|36.315678|4.639413|2.896703|0.082173|2.822559|2.816269|2.594395|2.427335|2.426367|2.603004|4.953693|2.403467|2.145970|2.558355|0.048774|1.796373|2.879049|2.651303|0.051594|2.255979|4.220307|3.817074|0.058153|0.051657|0.058190|0.060762|0.060726|0.075867|0.111060|0.110908|0.075777|0.199632|0.500000| |2.157057|2.310535|2.825851|3.065061|3.883203|4.815796|4.050477|3.143174|10.062540|8.868711|10.691492|17.548665|8.847779|0.174100|6.875677|10.498419|7.399248|5.310355|45.612254|5.558645|3.337833|0.090692|3.353373|3.243977|2.999294|2.882431|2.953152|3.181026|5.795602|2.705300|2.335929|2.764794|0.051996|1.959122|3.111477|2.954023|0.057620|2.572118|4.949399|4.074082|0.061676|0.053390|0.061104|0.060454|0.061009|0.075549|0.109400|0.118714|0.078378|0.232453|0.302697|0.500000| |1.588911|1.609427|1.820490|1.979781|2.272370|2.377937|2.119865|1.877372|3.746662|3.179455|5.570995|3.627637|4.492379|0.108724|4.510719|6.307231|8.092026|9.471443|49.398588|25.872290|9.072386|0.182834|6.387905|4.533734|3.606952|3.537387|4.209058|5.912126|6.445137|7.490135|4.882059|5.427771|0.092653|3.957696|5.716026|6.872833|0.126528|7.776001|17.173259|7.303664|0.044976|0.040581|0.046277|0.043228|0.042171|0.052637|0.067246|0.058989|0.048391|0.075566|0.086875|0.105238|0.500000| |1.305969|1.344984|1.502662|1.575142|1.770839|1.920166|1.796948|1.593330|3.031625|2.435715|4.033077|2.972417|3.347939|0.082214|4.316102|7.164988|7.782206|4.905263|24.176490|7.023618|7.037135|0.231686|8.946534|17.735330|8.932844|5.691703|4.958922|5.663905|9.595287|4.958775|4.694950|4.790090|0.090470|2.988481|4.504619|4.214695|0.075408|3.759727|6.125041|9.474192|0.037198|0.033766|0.036977|0.036027|0.036232|0.041404|0.050553|0.052025|0.042201|0.064718|0.080100|0.088462|0.116314|0.500000| 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