Version2.4 2021-05-28T16:23:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c(n1[C@@H]2CCS(=O)(=O)C2)C)C(=O)CSc3nc4nc(c(c(n4n3)C)CC(=O)[O-])C C13222292 RHF 6-31G(d) (6D,7F) Cc1cc(c(n1[C@@H]2CCS(=O)(=O)C2)C)C(=O)CSc3nc4nc(c(c(n4n3)C)CC(=O)[O-])C C01[X(C21H24N5O5S2)] 165 C1 551 [O-]C(=O)Cc1c(C)nc2n(c1C)nc(n2)SCC(=O)c1cc(n(c1C)[C@@H]1CCS(=O)(=O)C1)C [O-]C(=O)Cc1c(C)nc2n(c1C)nc(n2)SCC(=O)c1cc(n(c1C)[C@@H]1CCS(=O)(=O)C1)C Cc1cc(C(=O)CSc2nn3c(C)c(CC([O-])=O)c(C)nc3n2)c(C)n1[C@@H]4CC[S](=O)(=O)C4 InChIKey=IOTLULIVFJGOKN-OAHLLOKOSA-M InChI=1S/C21H25N5O5S2/c1-11-7-17(13(3)25(11)15-5-6-33(30,31)10-15)18(27)9-32-21-23-20-22-12(2)16(8-19(28)29)14(4)26(20)24-21/h7,15H,5-6,8-10H2,1-4H3,(H,28,29)/p-1/t15-/m1/s1 InChI=1/C21H25N5O5S2/c1-11-7-17(13(3)25(11)15-5-6-33(30,31)10-15)18(27)9-32-21-23-20-22-12(2)16(8-19(28)29)14(4)26(20)24-21/h7,15H,5-6,8-10H2,1-4H3,(H,28,29)/p-1/t15-/m1/s1/fC21H24N5O5S2/q-1 Cc1cc(c(n1[C@@H]2CCS(=O)(=O)C2)C)C(=O)CSc3nc4nc(c(c(n4n3)C)CC(=O)[O-])C C01[X(C21H24N5O5S2)] 165 C01 551 [O-]C(=O)Cc1c(C)nc2n(c1C)nc(n2)SCC(=O)c1cc(n(c1C)[C@@H]1CCS(=O)(=O)C1)C [O][C]([O])C[C]1[C]([N][C]2[N][C]([N]N2C=1C)SCC(=O)[C]1[CH]=C(N(C=1C)[C@@H]1CC[S@](=O)([O])C1)C)C C[C]1[N][C]2[N][C]([N]N2C(=C1C[C]([O])[O])C)SCC(=O)c3cc(C)n([C@@H]4CC[S]([O])(=O)C4)c3C InChIKey=RGKJTFSRWKVGQT-OAHLLOKOSA-N InChI=1S/C21H24N5O5S2/c1-11-7-17(13(3)25(11)15-5-6-33(30,31)10-15)18(27)9-32-21-23-20-22-12(2)16(8-19(28)29)14(4)26(20)24-21/h7,15H,5-6,8-10H2,1-4H3/t15-/m1/s1 InChI=1/C21H24N5O5S2/c1-11-7-17(13(3)25(11)15-5-6-33(30,31)10-15)18(27)9-32-21-23-20-22-12(2)16(8-19(28)29)14(4)26(20)24-21/h7,15H,5-6,8-10H2,1-4H3/t15-/m1/s1 3521.3204185685 -2250.7621416 1-A 35092.3844 129 422 551 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1596.1837 1598.2348 1608.0683 1616.8361 1618.0640 1622.7238 1629.0783 1631.9929 1633.2878 1638.1436 1650.9558 1651.3202 1653.9741 1655.9014 1672.4586 1705.6636 1711.5073 1743.0287 1786.1019 1838.5348 1904.8882 1963.6992 3192.4174 3197.5373 3203.0439 3209.5504 3237.2269 3245.5484 3262.5224 3264.9976 3267.4814 3271.4754 3275.8074 3283.8268 3291.6739 3293.1250 3299.6763 3312.3611 3318.1866 3323.8442 3329.0857 3344.9236 3346.2928 3362.3045 3374.3655 3431.0384 7.1055 6.1245 6.0182 12.1908 7.6733 6.3488 7.2532 8.3503 3.9969 3.9921 3.5213 4.7788 8.1808 1.6470 3.6152 3.2552 3.9061 4.6596 3.8115 3.9105 1.3067 1.8057 1.4755 1.8915 1.7499 2.7966 5.3679 4.4174 3.4968 3.5120 3.7071 2.8869 3.1479 8.0705 4.1593 3.2382 5.9417 5.9907 5.5874 7.6410 5.5428 3.6438 2.4002 3.4632 4.2901 6.8272 2.6032 3.6636 4.3441 5.8527 4.8601 4.3768 5.0158 4.1790 5.3400 4.4105 3.4883 3.5969 5.2319 10.7701 3.9054 7.0819 2.9021 2.9523 10.7206 6.0965 7.9897 1.3333 3.6685 2.5354 7.0952 2.2992 1.7564 2.0759 2.4527 2.0876 2.8131 2.2795 1.6653 9.9017 1.4986 1.4874 1.7560 1.4471 1.8480 1.6072 2.0794 1.5237 1.7644 2.0153 2.6090 5.9933 2.6425 1.6079 1.4110 1.1135 2.8574 1.9884 1.4283 3.6469 2.6743 1.4380 2.3600 2.7395 2.8935 2.2684 6.2517 2.0480 1.6924 3.7085 1.9228 2.1521 10.3679 4.5167 1.7057 1.3689 1.9515 1.4396 1.2588 1.3256 1.1344 1.0975 1.5498 1.1516 1.3507 1.6817 1.1560 1.1030 1.0921 1.1050 1.1453 1.1372 1.0499 1.0826 7.4898 5.0654 7.3206 6.0080 8.9423 10.3509 12.2121 1.0450 1.0461 1.0492 1.0439 1.1021 1.0601 1.0629 1.0602 1.0931 1.0695 1.0897 1.1057 1.0645 1.0870 1.1002 1.1049 1.0880 1.1071 1.1059 1.1067 1.0998 1.1063 1.0939 1.0980 0.0003 0.0006 0.0013 0.0047 0.0032 0.0039 0.0109 0.0215 0.0154 0.0163 0.0163 0.0315 0.0639 0.0181 0.0436 0.0439 0.0598 0.0779 0.0790 0.0832 0.0386 0.0566 0.0485 0.0669 0.0634 0.1189 0.2497 0.2424 0.2145 0.2282 0.2599 0.2090 0.2418 0.7024 0.3643 0.2921 0.6385 0.6706 0.6383 0.9326 0.7432 0.5480 0.3640 0.5462 0.7416 1.3521 0.5393 0.7938 0.9537 1.3465 1.1850 1.0984 1.4209 1.2299 1.5801 1.4479 1.1637 1.2669 1.8518 4.0963 1.5341 2.9289 1.2191 1.2841 4.9957 2.9345 3.9979 0.7017 1.9857 1.3948 4.0637 1.3345 1.0476 1.2697 1.5485 1.3640 1.9253 1.5906 1.1816 7.1308 1.0896 1.1516 1.3786 1.1589 1.4947 1.3032 1.7060 1.2587 1.5336 1.7545 2.3175 5.6202 2.5220 1.5652 1.3786 1.1042 2.8543 2.0469 1.5208 3.9425 3.0203 1.6456 2.7936 3.3060 3.5133 2.7871 7.7660 2.5742 2.1849 4.9080 2.5621 2.9073 14.0580 6.2509 2.4281 1.9800 2.8334 2.1068 1.8459 1.9899 1.7072 1.6721 2.3870 1.7764 2.0956 2.6296 1.8140 1.7337 1.7266 1.7745 1.8400 1.8329 1.6962 1.7842 12.8383 8.7421 13.1040 11.2926 17.8092 22.1293 27.7454 6.2746 6.3015 6.3423 6.3358 6.8048 6.5789 6.6657 6.6586 6.8760 6.7440 6.8894 7.0248 6.7955 6.9454 7.0579 7.1423 7.0583 7.2065 7.2216 7.2954 7.2556 7.3686 7.3384 7.6156 3.1328 4.2965 0.3913 1.8384 4.4963 3.2224 11.3521 3.0064 2.6748 5.3250 5.4386 0.0560 3.4983 2.1094 3.5743 3.3628 2.1206 15.0298 0.4883 2.5255 1.1362 2.8296 2.4398 1.2959 1.1679 1.4375 1.0724 5.5289 2.6115 11.9471 0.3061 0.2410 3.3795 6.7729 11.4116 10.5356 2.6310 9.3076 14.0477 1.7226 9.3082 36.4476 1.8912 5.9984 7.6392 2.8436 2.4722 16.4216 4.5781 15.6212 18.9418 6.7496 0.9519 0.2476 27.7812 6.0566 6.5072 19.7408 76.4029 5.5587 10.2859 3.1214 41.2379 3.9856 17.9922 0.9719 69.4580 21.5310 9.1513 8.4781 38.8385 62.6742 33.8821 5.3151 2.7280 9.7866 50.8683 1.9064 5.2646 8.1855 7.2556 7.9537 16.3575 2.0696 1.1219 4.4706 4.0625 3.3370 114.8302 22.4784 236.6711 13.6143 88.9635 57.1791 29.8570 0.4428 49.9178 64.7450 30.6650 30.7454 15.7931 30.7144 3.1811 113.0323 92.0863 115.3389 309.4620 125.6285 6.7009 72.2876 27.2519 1.3451 423.1862 55.0842 51.5232 20.3463 94.6642 6.0014 6.6960 124.5534 13.6286 10.9891 25.8068 38.8298 3.2394 27.2899 11.5485 14.8975 16.2354 15.8948 5.9588 5.9034 13.9850 4.8865 521.5435 54.3989 171.4605 41.1518 385.7011 622.6308 220.9187 54.9384 26.3365 28.8489 44.9385 30.6137 54.8703 5.6583 28.8272 13.3337 21.5740 31.9054 34.3328 3.5668 12.2545 20.1432 0.7041 6.2935 13.0545 1.2516 5.9198 9.4622 0.7832 1.3277 1.6429 0.6979 0.2540 0.3813 0.7565 0.9021 0.3084 0.2172 1.9609 0.8674 1.1037 0.4515 0.7512 0.8281 0.5367 0.5970 0.7947 1.5304 0.5145 0.2969 0.9594 0.7590 0.8441 0.3622 1.0468 1.0371 0.4965 0.7703 0.2822 1.7975 0.4512 0.6585 0.0376 1.9559 2.2981 0.3032 2.0038 2.6019 1.4406 0.8173 1.5085 3.2660 1.3425 2.0539 4.7858 5.2546 3.9868 1.0245 2.2472 2.9135 6.2157 8.8797 0.8024 7.8117 3.5143 3.5584 1.0510 2.1376 21.0536 2.5264 0.7893 8.1009 4.7103 22.3325 5.1549 0.3741 27.7708 0.9818 1.7198 2.4991 4.3286 13.7558 5.8782 2.0964 0.4032 7.0513 14.0374 4.3101 0.8606 8.9003 36.0040 2.0640 4.2135 3.7195 2.3376 3.3914 2.1128 2.0498 1.8616 6.6053 1.0779 8.0583 8.7370 5.2915 3.3406 7.3291 15.3416 4.8325 4.3820 10.9259 26.6726 9.9922 1.5221 43.6891 6.8938 1.7663 20.2671 72.0374 6.2888 5.9890 5.0004 6.3919 16.2122 10.9016 93.1951 2.5724 16.2431 25.8729 25.3535 15.3939 29.2700 5.3093 15.0361 19.1182 5.7464 22.3891 18.0597 42.7565 14.9079 9.4421 6.8341 16.6892 25.7239 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12.00000 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 15.99491 15.99491 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 5426.0122 60415.2838 64303.4462 0.99999 -0.00186 -0.00500 0.00187 1.00000 0.00238 0.00500 -0.00239 0.99998 1 0.01596 0.00143 0.00135 0.33261 0.02987 0.02807 12.44 18.13 27.99 36.77 38.42 46.29 72.59 95.11 116.33 119.63 127.55 152.09 165.61 196.59 205.78 217.68 231.98 242.38 269.87 273.47 322.37 331.81 339.93 352.62 356.80 386.55 404.28 439.09 464.21 477.79 496.33 504.33 519.54 552.99 554.73 562.98 614.45 627.14 633.56 654.84 686.35 726.93 729.93 744.42 779.31 834.15 853.15 872.51 878.26 899.06 925.58 938.99 997.65 1016.86 1019.62 1073.96 1082.66 1112.43 1115.16 1155.99 1174.80 1205.43 1214.90 1236.19 1279.56 1300.44 1325.92 1359.82 1379.07 1390.29 1418.56 1428.03 1447.61 1465.95 1489.36 1515.14 1550.67 1565.78 1578.90 1590.68 1598.30 1649.28 1660.82 1677.44 1685.73 1687.84 1697.80 1703.68 1747.51 1748.91 1766.59 1815.15 1831.16 1849.37 1852.79 1866.62 1873.41 1901.82 1934.20 1948.91 1991.98 2005.14 2039.36 2059.10 2065.45 2077.71 2089.15 2101.45 2129.78 2156.37 2163.73 2178.62 2182.65 2205.10 2236.44 2254.33 2258.59 2267.54 2269.81 2296.55 2299.50 2313.65 2326.27 2328.03 2334.74 2343.88 2348.07 2349.94 2356.92 2375.36 2375.88 2379.70 2382.47 2406.29 2454.07 2462.48 2507.83 2569.80 2645.24 2740.71 2825.33 4593.18 4600.54 4608.47 4617.83 4657.65 4669.62 4694.04 4697.60 4701.18 4706.92 4713.16 4724.69 4735.98 4738.07 4747.50 4765.75 4774.13 4782.27 4789.81 4812.60 4814.57 4837.61 4854.96 4936.50 0.477951 0.507896 0.508841 0.411198 -2250.284191 -2250.254245 -2250.253301 -2250.350944 3.274962D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE Cc1cc(c(n1[C@@H]2CCS(=O)(=O)C2)C)C(=O)CSc3nc4nc(c(c(n4n3)C)CC(=O)[O-])C C13222292 RHF 6-31G(d) (6D,10F) C1 490.121888 |X|Y|Z| 178.250143 52.124503 24.529154 61.082686 22 6 7 16 15 5 2 |36.858105| |12.684794|36.858105| |7.475154|14.139010|36.858105| |5.118456|8.443303|13.297810|36.858105| |5.140524|8.449168|8.472078|13.923117|36.858105| |7.391208|13.664127|8.618311|8.582702|13.876963|53.358707| |6.039758|7.479747|5.267268|5.282547|7.681089|17.925114|36.858105| |4.561092|5.665539|4.524461|4.970925|7.597921|12.777184|17.682014|0.500000| |5.789758|5.922185|4.308295|4.095024|5.207433|10.253503|12.363528|0.251296|36.858105| |4.268264|4.186912|3.285288|3.191418|3.929038|6.858899|7.807455|0.196762|12.459957|36.858105| |4.342451|4.156010|3.260681|3.116988|3.757117|6.550404|7.105946|0.169461|7.278121|10.652975|388.023441| |4.654693|4.015589|3.147615|2.873414|3.283125|5.720984|5.408882|0.124706|5.944434|7.273005|94.126124|73.516695| |3.309777|3.279640|2.726400|2.694203|3.213382|5.170808|5.174561|0.140241|5.025002|7.155746|94.320817|13.602851|73.516695| |5.436051|5.874871|4.384578|4.246417|5.451397|10.336767|12.295200|0.249042|7.600149|7.147047|75.369372|12.869164|12.668705|36.858105| |3.759892|5.162237|5.112640|7.342712|12.694213|10.291939|6.409716|0.220058|4.579633|3.761762|25.138599|5.284952|5.698932|4.836856|36.858105| |3.737524|5.167196|7.328345|12.868887|7.475519|7.084026|3.821820|0.105053|3.148123|2.591001|18.036641|4.190345|4.041709|3.262774|5.936016|36.858105| |3.132721|4.133156|5.173036|8.074567|6.442041|6.072005|3.514141|0.101089|2.908507|2.458189|17.016964|3.891941|3.902661|3.026585|6.295933|15.889847|73.516695| |3.471430|4.426136|6.385399|7.531444|4.958661|5.511301|3.111263|0.083416|2.690175|2.251995|15.827756|3.789351|3.553840|2.761276|4.052444|12.578418|14.263794|36.858105| |2.610147|3.129903|3.982026|4.615249|3.593559|4.085404|2.468756|0.067954|2.185200|1.891484|13.277766|3.174277|3.055788|2.239879|3.276482|6.918169|11.741231|10.515957|388.023441| |2.451618|2.800259|3.491293|3.645954|2.914039|3.517926|2.164193|0.058531|1.964351|1.714572|12.109740|2.955733|2.781160|1.999706|2.611270|4.650197|7.475965|7.059060|76.742292|36.858105| |2.682467|3.001854|3.781410|3.687246|2.916211|3.631154|2.219170|0.058946|2.029317|1.761338|12.506169|3.095336|2.843271|2.062133|2.532228|4.376417|6.664784|6.711331|49.435292|14.252526|53.358707| |2.327429|2.523057|3.036729|2.939118|2.427114|3.081374|1.932934|0.051476|1.795263|1.581104|11.241436|2.802329|2.574642|1.817366|2.153434|3.360404|5.334513|4.584058|35.714208|9.184916|19.565550|36.858105| |2.257013|2.372549|2.783471|2.613616|2.202599|2.866770|1.821151|0.048142|1.713182|1.518016|10.833750|2.733649|2.478060|1.729001|1.949960|2.856043|4.535980|3.686818|26.757266|5.623092|10.822155|14.298211|53.358707| |1.959605|2.041092|2.338445|2.226012|1.919942|2.506498|1.619472|0.043077|1.534489|1.375541|9.813329|2.477288|2.263012|1.546579|1.730787|2.421483|3.941883|2.998184|22.510501|4.466527|7.360015|8.469486|19.869632|36.858105| |1.769536|1.862778|2.123907|2.074789|1.806219|2.331285|1.516485|0.040744|1.433985|1.293146|9.200192|2.304314|2.138625|1.446762|1.657211|2.297001|3.826887|2.803371|22.314285|4.399817|6.455561|7.028321|10.714824|13.253140|36.858105| |1.807955|1.939156|2.237901|2.235005|1.930632|2.450269|1.583892|0.042835|1.485697|1.335151|9.467361|2.349920|2.204304|1.500862|1.782719|2.546043|4.287420|3.155354|26.872649|5.611148|7.445800|7.995912|9.277440|7.960257|13.984360|36.858105| |2.053648|2.240053|2.652415|2.659954|2.239878|2.808939|1.784511|0.048140|1.657605|1.473222|10.439403|2.581975|2.415244|1.678056|2.040789|3.108717|5.142179|4.074376|35.979638|9.252821|11.888899|14.137897|11.068129|7.221506|8.214022|13.977412|53.358707| |2.102461|2.350858|2.819227|2.939516|2.452561|2.998303|1.891048|0.051509|1.736656|1.538093|10.857574|2.654184|2.518305|1.762992|2.259350|3.611943|6.108815|4.818577|50.914172|14.620402|11.522929|8.599396|7.448014|4.789271|5.265613|7.822887|19.094222|53.358707| |1.629275|1.754407|2.000720|2.038676|1.790054|2.257131|1.474155|0.040252|1.383697|1.252748|8.857446|2.184764|2.078909|1.397058|1.686171|2.336381|4.046036|2.794308|24.641223|4.617392|5.628511|5.122828|6.045095|4.979188|7.467528|12.697654|10.595650|8.998966|36.858105| |1.559268|1.625175|1.818641|1.780822|1.579319|2.052281|1.353678|0.036485|1.288875|1.173779|8.354758|2.096304|1.954162|1.299007|1.465632|1.945389|3.284078|2.295077|18.077417|3.294463|4.686956|4.508248|6.837290|7.393550|12.564550|7.597705|6.947557|5.253483|6.291807|36.858105| |1.483618|1.540163|1.710144|1.676444|1.498325|1.952772|1.294598|0.034965|1.244470|1.134248|8.002846|2.007778|1.871834|1.234680|1.396600|1.820312|3.086835|2.118203|16.567816|2.927659|4.119916|3.790231|5.642319|5.544729|7.482928|5.732957|5.745495|4.600512|5.312760|12.177568|36.858105| |1.501265|1.542714|1.703469|1.650547|1.478428|1.944039|1.291134|0.034725|1.249817|1.138487|8.018389|2.022284|1.869546|1.231018|1.370504|1.768645|2.976623|2.050039|15.599569|2.725754|3.943128|3.578954|5.574288|5.417816|6.126141|4.656838|5.091953|4.121161|4.116811|8.062572|15.465592|73.516695| |1.407845|1.470389|1.629210|1.616704|1.452692|1.882370|1.252014|0.034007|1.203178|1.099246|7.729996|1.929661|1.814911|1.191154|1.367072|1.767411|3.033062|2.035907|16.233431|2.806560|3.810801|3.393052|4.771464|4.347044|5.841955|5.279033|5.346624|4.496826|5.669479|8.060252|15.473015|15.157668|73.516695| |1.859293|1.893175|2.122023|1.990643|1.745586|2.317941|1.516031|0.040157|1.451915|1.310759|9.376308|2.389496|2.163229|1.459271|1.575029|2.107736|3.436687|2.525282|18.288091|3.352792|5.420823|5.269042|10.853545|12.662181|7.481199|5.049325|6.260218|4.733717|3.740778|6.396688|5.238778|10.280970|7.051751|36.858105| |17.542512|8.821350|6.027610|4.468294|4.561762|8.565792|5.556953|0.119982|6.180861|4.426416|29.495206|7.974509|5.629197|4.732685|3.487902|3.390327|5.149439|3.170825|17.380586|2.311442|3.427530|2.211744|2.935876|1.887522|1.708290|1.740566|2.671680|2.726001|1.574358|1.513459|1.455130|2.631014|2.459066|1.801821|0.500000| |17.578496|8.737333|5.681095|4.344115|4.598545|8.989478|6.290585|0.129029|6.026844|4.743537|37.603467|10.791817|6.837037|6.520824|3.552609|3.282388|5.044359|3.023389|16.717886|2.207762|3.253263|2.104027|2.790983|1.802836|1.638437|1.669381|2.554616|2.612685|1.515400|1.457300|1.384579|2.487457|2.340120|1.723096|0.302236|0.500000| |17.598509|9.039084|7.149343|4.719492|4.386759|7.600254|4.574313|0.102436|4.357919|3.452360|25.501521|6.958468|5.088010|4.340895|3.290168|3.628423|5.341310|3.563517|18.979285|2.583043|3.952640|2.523901|3.378677|2.132661|1.896039|1.919266|2.975049|3.001048|1.707483|1.661370|1.572014|2.839524|2.630740|2.034435|0.303237|0.303024|0.500000| |6.625870|8.876078|17.786137|8.487233|5.797970|7.991055|4.132473|0.100539|3.597036|2.850052|20.291136|5.043966|4.304024|3.639010|4.025867|6.412904|8.146756|6.839286|29.653715|3.889378|6.073057|3.508764|4.406188|2.649857|2.354797|2.461546|4.022762|4.189948|2.153797|1.988397|1.858313|3.304587|3.116278|2.394396|0.153204|0.140758|0.205557|0.500000| |7.349814|6.401300|4.478030|3.961769|4.685311|9.312874|8.715282|0.175209|17.655927|8.883858|46.432061|11.315128|7.919973|6.597675|3.915554|3.046090|4.893715|2.686425|15.376360|1.981991|2.830995|1.845270|2.420386|1.587699|1.470478|1.512326|2.295596|2.380086|1.397751|1.320201|1.274977|2.288137|2.180355|1.511922|0.240631|0.214518|0.145707|0.106440|0.500000| |4.938662|5.287040|4.116587|4.050188|5.116191|9.073408|8.775641|0.222696|17.595039|8.752838|37.613443|7.993421|7.303905|5.531468|4.669950|3.179602|5.284274|2.702846|15.754935|1.979250|2.761300|1.795118|2.321015|1.530209|1.436305|1.493912|2.268425|2.387377|1.396810|1.291199|1.254262|2.239188|2.163402|1.443098|0.152643|0.133109|0.107912|0.096182|0.302439|0.500000| |3.891412|3.636393|2.919090|2.788728|3.292796|5.574951|5.582730|0.141633|8.637629|17.622991|57.349479|12.457858|10.722317|5.317028|3.136207|2.312795|3.897554|2.054875|12.407535|1.603682|2.252028|1.498745|1.973724|1.320389|1.239927|1.273388|1.900894|1.970802|1.194981|1.130764|1.097100|1.965052|1.888934|1.267008|0.116203|0.119731|0.089602|0.072155|0.216589|0.197583|0.500000| |3.575621|3.681482|3.013043|3.044445|3.801946|6.212317|6.839362|0.203943|8.718306|17.592649|57.481012|9.720538|12.552723|6.153695|3.888028|2.525655|4.355110|2.171340|13.173354|1.662973|2.298937|1.518438|1.973767|1.319576|1.249638|1.296157|1.942698|2.040847|1.224715|1.137119|1.100276|1.956817|1.903940|1.253225|0.101643|0.107048|0.082692|0.072657|0.173257|0.212803|0.299091|0.500000| |4.312748|4.848662|3.942974|4.039036|5.198626|8.541745|8.660555|0.228667|5.654493|5.683671|57.049145|9.966211|12.651669|17.632289|5.032335|3.219414|5.454849|2.694063|15.839194|1.966693|2.726498|1.768134|2.276528|1.502632|1.416187|1.475973|2.242383|2.371571|1.382823|1.274359|1.207730|2.130400|2.078177|1.412588|0.105342|0.136589|0.101220|0.091981|0.135428|0.126475|0.122269|0.151923|0.500000| |6.463959|6.522914|4.759177|4.313840|5.133755|9.766128|8.641602|0.176239|6.192218|5.569481|57.498653|12.971389|10.150716|17.665192|4.269750|3.295784|5.297606|2.864503|16.289359|2.075824|2.956517|1.911703|2.491173|1.628407|1.510526|1.558633|2.377303|2.477992|1.438932|1.352030|1.278477|2.270456|2.181180|1.541177|0.144391|0.237695|0.144368|0.111482|0.170702|0.130372|0.126466|0.131009|0.300603|0.500000| |3.543323|4.642213|4.429755|5.785629|8.845531|9.056976|6.440678|0.232223|4.427472|3.864221|27.182874|5.546932|6.361227|5.389521|17.525257|4.829793|9.088907|3.521037|20.826028|2.384597|3.160647|1.999800|2.485416|1.631861|1.564792|1.674821|2.586601|2.842317|1.589176|1.393135|1.322870|2.306433|2.301285|1.494527|0.090043|0.096823|0.086391|0.099515|0.104201|0.119662|0.088265|0.112963|0.170161|0.127990|0.500000| |3.554031|4.642420|4.422781|5.774426|8.853041|9.093719|6.359390|0.236330|4.945511|4.052569|25.268597|5.252351|5.742595|4.548617|17.527293|4.821400|9.057738|3.520572|20.846821|2.388455|3.159530|2.001318|2.485916|1.633109|1.567071|1.679412|2.592784|2.851444|1.596145|1.395033|1.341288|2.347945|2.340523|1.495412|0.095263|0.093431|0.085491|0.099387|0.113257|0.149609|0.093624|0.120120|0.127744|0.108609|0.301010|0.500000| |3.274538|4.370823|4.676475|7.005560|9.020172|7.669812|4.735831|0.152140|3.669545|3.106049|21.017825|4.546930|4.866561|3.855897|17.698052|6.825763|15.078108|4.432353|26.425034|2.831417|3.636633|2.258024|2.740729|1.788701|1.729348|1.883376|2.951239|3.331856|1.794895|1.524328|1.450004|2.512799|2.535497|1.610570|0.084810|0.085224|0.082364|0.106609|0.090417|0.105089|0.074170|0.089102|0.112256|0.098338|0.301804|0.301652|0.500000| |3.652650|4.555087|6.608385|6.884898|4.669003|5.451723|3.076992|0.081406|2.744900|2.268834|15.678524|3.795799|3.483877|2.686737|3.746982|8.916253|10.995070|17.613910|56.400821|6.718666|9.631634|4.819174|5.358551|3.148860|2.886501|3.201753|5.619721|6.358514|2.788660|2.350466|2.200739|3.832742|3.737681|2.661437|0.094871|0.086108|0.105369|0.211668|0.077350|0.077481|0.058036|0.060274|0.071383|0.077502|0.089654|0.093828|0.110190|0.500000| |3.624119|4.527633|6.572883|6.849492|4.644182|5.416979|3.074340|0.080968|2.638577|2.228501|16.053517|3.890076|3.598243|2.820521|3.734699|8.917180|11.030715|17.612378|56.357528|6.679915|9.714839|4.817053|5.366946|3.147285|2.880101|3.181060|5.581404|6.291994|2.760976|2.346696|2.127244|3.668008|3.592943|2.660706|0.089421|0.088335|0.106536|0.210824|0.074064|0.072069|0.056565|0.059170|0.076475|0.083279|0.093569|0.089384|0.109908|0.305177|0.500000| |1.582892|1.707397|1.940826|1.989052|1.754894|2.208146|1.447233|0.039607|1.350632|1.228770|8.744375|2.153107|2.061757|1.381459|1.663127|2.282632|3.986685|2.699262|23.934072|4.318955|5.210063|4.563535|5.416315|4.377026|6.140800|8.929057|8.879584|8.167742|17.519318|5.492788|4.432626|6.275111|8.300871|3.402721|0.042250|0.041153|0.046002|0.057684|0.037789|0.037723|0.032499|0.033432|0.038193|0.039543|0.043851|0.043528|0.049289|0.073216|0.074996|0.500000| |1.658210|1.802877|2.064388|2.133718|1.870985|2.336299|1.521741|0.041756|1.426843|1.287728|9.046427|2.218982|2.123112|1.430405|1.773180|2.483049|4.349288|2.964198|27.216055|4.977914|5.704554|4.886193|5.516860|4.266463|5.686126|8.964758|10.050765|10.159678|17.619316|4.782419|4.422251|6.419010|8.587958|3.276156|0.044628|0.042703|0.047931|0.061276|0.039864|0.040228|0.034049|0.035080|0.039362|0.040704|0.046125|0.046723|0.052855|0.082176|0.079342|0.302562|0.500000| |1.520711|1.621566|1.827849|1.850298|1.642182|2.088362|1.374889|0.037536|1.300776|1.182945|8.347013|2.064918|1.962447|1.305151|1.551610|2.086086|3.615939|2.448679|20.839342|3.738021|4.739805|4.266779|5.393247|4.647394|7.037211|8.973012|7.849280|6.677733|17.647347|7.178657|6.627898|8.431751|14.081400|3.697981|0.041058|0.039408|0.044238|0.054501|0.036562|0.036518|0.031482|0.032129|0.035826|0.037295|0.040720|0.041079|0.045610|0.068630|0.067193|0.297879|0.299545|0.500000| |1.539150|1.588918|1.766016|1.712598|1.525058|1.998172|1.322996|0.035532|1.262196|1.153166|8.247470|2.080115|1.929154|1.277763|1.411057|1.847113|3.103852|2.163240|16.614022|2.970693|4.331367|4.079384|6.522908|7.077917|8.922225|5.698605|5.861749|4.551794|4.734608|17.599859|8.755089|13.283358|10.700109|7.394229|0.041450|0.040116|0.045778|0.053754|0.036038|0.034980|0.030927|0.030954|0.034779|0.037086|0.037423|0.037299|0.040523|0.061503|0.062180|0.122094|0.105687|0.142720|0.500000| |1.483982|1.554703|1.736061|1.718542|1.531449|1.980041|1.310543|0.035484|1.243054|1.136649|8.107319|2.026347|1.905599|1.261067|1.433415|1.889178|3.224382|2.208428|17.728967|3.168475|4.350728|4.039679|5.757497|5.609148|8.915367|7.138792|6.507773|5.164860|7.035578|17.598609|8.733531|10.509392|13.617711|4.833089|0.039910|0.038705|0.043669|0.052252|0.035203|0.034581|0.030368|0.030697|0.034541|0.036363|0.037980|0.037851|0.041591|0.061909|0.062613|0.183953|0.141071|0.234077|0.302988|0.500000| |2.005367|2.017433|2.256755|2.077601|1.817702|2.438428|1.590695|0.041836|1.529590|1.375533|9.845686|2.525704|2.257642|1.531293|1.622808|2.165894|3.489417|2.593528|18.137139|3.269515|5.460741|5.044930|10.589930|8.983623|5.562403|4.228335|5.641841|4.427488|3.220864|4.720125|4.154564|8.272568|5.897481|17.616871|0.054047|0.051401|0.061669|0.071599|0.044571|0.042119|0.037003|0.036333|0.040915|0.045163|0.042726|0.042819|0.045761|0.076931|0.076495|0.082093|0.080959|0.087302|0.144906|0.105796|0.500000| |1.766528|1.794242|1.996500|1.879430|1.659949|2.207573|1.452817|0.038525|1.387024|1.260769|9.086294|2.318194|2.106132|1.411498|1.505533|1.984473|3.255841|2.348509|17.056324|3.060048|4.835788|4.533928|8.532354|8.907598|6.528797|4.557966|5.577296|4.339647|3.520819|6.212420|4.765612|8.955461|6.560697|17.515756|0.047303|0.045899|0.053623|0.062093|0.040048|0.038124|0.033853|0.033520|0.038112|0.041483|0.039969|0.039615|0.042737|0.067532|0.069414|0.092293|0.084586|0.096943|0.224734|0.136807|0.300416|0.500000| 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