Version2.1 2020-12-26T03:48:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2c(c1)sc(n2)NC(=O)[C@@H](CCSC)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C C02928991 RHF 6-31G(d) (6D,7F) Cc1ccc2c(c1)sc(n2)NC(=O)[C@@H](CCSC)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C C01[X(C21H22N4O5S3)] 159 C1 551 CSCC[C@H](C(=O)Nc1nc2c(s1)cc(cc2)C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C CSCC[C@H](C(=O)Nc1nc2c(s1)cc(cc2)C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C CSCC[C@@H](N[S](=O)(=O)c1ccc2N(C)C(=O)Oc2c1)C(=O)Nc3sc4cc(C)ccc4n3 InChIKey=ZJDGPYTZZRAWAW-OAHLLOKOSA-N InChI=1S/C21H22N4O5S3/c1-12-4-6-14-18(10-12)32-20(22-14)23-19(26)15(8-9-31-3)24-33(28,29)13-5-7-16-17(11-13)30-21(27)25(16)2/h4-7,10-11,15,24H,8-9H2,1-3H3,(H,22,23,26)/t15-/m1/s1 InChI=1/C21H22N4O5S3/c1-12-4-6-14-18(10-12)32-20(22-14)23-19(26)15(8-9-31-3)24-33(28,29)13-5-7-16-17(11-13)30-21(27)25(16)2/h4-7,10-11,15,24H,8-9H2,1-3H3,(H,22,23,26)/t15-/m1/s1/f/h23H Cc1ccc2c(c1)sc(n2)NC(=O)[C@@H](CCSC)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C C01[X(C21H22N4O5S3)] 159 C01 551 CSCC[C@H](C(=O)Nc1nc2c(s1)cc(cc2)C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C CSCC[C@H](C(=O)NC1=N[C]2[C]([CH][C]([CH][CH]2)C)S1)N[S@]([O])(=O)[C]1[CH][CH][C]2[C]([CH]1)OC(=O)N2C CSCC[C@@H](N[S]([O])(=O)[C]1[CH][CH][C]2[C]([CH]1)OC(=O)N2C)C(=O)NC3=N[C]4[CH][CH][C](C)[CH][C]4S3 InChIKey=VEGDNTVSZOUBRL-OAHLLOKOSA-N InChI=1S/C21H22N4O5S3/c1-12-4-6-14-18(10-12)32-20(22-14)23-19(26)15(8-9-31-3)24-33(28,29)13-5-7-16-17(11-13)30-21(27)25(16)2/h4-7,10-11,15H,8-9H2,1-3H3,(H,22,23,26)(H,24,28,29)/t15-/m1/s1 InChI=1/C21H22N4O5S3/c1-12-4-6-14-18(10-12)32-20(22-14)23-19(26)15(8-9-31-3)24-33(28,29)13-5-7-16-17(11-13)30-21(27)25(16)2/h4-7,10-11,15H,8-9H2,1-3H3,(H,22,23,26)(H,24,28,29)/t15-/m1/s1/f/h23-24H 3854.9502414209 -2592.6669589 1-A 26445.2290 132 419 551 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2.4493 0.8465 2.2345 3.3311 1.6157 0.8850 0.9284 1.1892 0.9362 1.1232 1.9163 2.0388 1.7137 1.8497 1.2256 2.8520 2.8396 4.8538 1.4717 3.2884 1.7043 2.2406 1.2059 2.9000 2.2611 4.4538 2.3942 2.6854 2.7314 2.3420 1.9066 1.8437 1.6203 2.2504 3.2225 1.8720 2.0132 4.4314 1.6185 6.2768 2.2704 3.4346 1.9925 2.9081 2.5744 2.0388 1.6223 1.6645 1.6376 1.7768 1.6511 2.0131 1.7800 3.6047 1.7742 5.7820 4.3813 10.3223 7.2377 14.2030 13.7886 8.7985 23.3802 30.8116 6.2716 6.3678 6.4363 6.3667 6.6081 6.8824 6.9397 6.9874 6.9288 7.0838 7.0961 7.0946 7.1512 7.2403 7.3344 7.3171 7.4456 7.4257 7.5294 7.5994 9.2325 9.2247 0.2008 0.9869 0.4626 0.8441 3.9835 1.1415 0.4007 0.8119 0.3526 2.2113 3.9798 0.7627 1.4646 1.1876 0.0548 4.2263 1.4036 1.0396 0.1433 1.1904 0.6794 2.9364 4.7589 8.0081 0.4176 0.6296 3.1708 0.7239 0.4497 11.8540 2.5531 25.1093 1.5446 42.3124 5.2142 3.0523 5.8883 3.2500 12.7516 28.8596 0.6044 4.1243 14.5695 32.2416 6.0560 85.6188 21.0918 14.2163 2.9987 218.2485 7.1648 5.8660 76.6003 79.2007 58.3254 76.0317 10.2734 0.2867 3.8759 5.9880 21.4064 1.3831 3.2587 10.3744 40.8453 39.7024 12.6435 42.7774 41.3956 23.4006 102.7672 3.5302 0.5443 31.4298 16.8705 64.1503 22.1851 67.9456 2.4828 2.6463 88.9302 0.9616 3.2261 29.7586 58.9205 9.4853 9.7924 3.0437 73.4972 36.8444 78.9549 0.0471 56.0011 17.2782 285.7523 2.0692 33.2212 2.4160 21.4519 175.3936 296.6520 62.9801 38.3473 9.3070 48.2269 22.4245 6.6466 127.1669 74.3114 150.3734 125.5243 2.8170 172.6823 3.5367 1.5003 11.1378 35.1814 44.1088 79.5072 9.1841 11.8883 4.2351 13.6082 10.1892 24.6551 2.9220 59.6394 45.3038 271.3068 1162.8658 100.2197 45.8582 36.7771 40.7421 65.5638 271.7313 1143.3326 52.8086 19.1454 47.3727 40.2767 9.6040 30.2991 2.8377 24.4450 6.0010 26.7619 28.4142 14.2184 12.5539 22.4877 0.6955 13.5012 8.6691 3.6104 0.9482 4.1407 206.8309 152.9875 2.8151 5.7180 0.9872 0.5195 2.8438 0.2660 2.7100 0.9580 0.4904 1.1012 1.4568 0.5482 0.9608 0.1824 0.3320 1.0169 0.3091 0.2666 3.6151 1.2846 0.1338 1.0979 0.8601 0.2739 1.7981 3.8677 0.3422 0.4906 3.4907 1.8591 1.1660 1.2061 0.5674 1.1387 0.4678 2.7198 1.7814 5.2415 2.8662 0.9862 1.2058 0.1651 2.2263 6.9116 7.4926 4.5801 3.0323 0.3347 2.5319 4.0102 3.4501 3.3787 1.0108 1.3574 2.8253 1.8245 7.8472 0.6912 25.6452 1.6459 6.5121 3.2976 27.7204 9.4654 12.1609 0.6865 3.4266 1.9482 1.2024 5.4207 1.9098 2.1743 23.3448 1.7672 0.7499 0.5849 2.1874 4.2950 5.7204 1.0059 8.0383 0.9150 14.4952 7.2957 23.2007 5.4635 2.9488 0.2478 7.4291 13.7141 5.8664 0.7865 9.2430 2.7242 11.4153 2.9934 8.2242 4.7863 1.1277 53.2663 5.6122 7.4486 68.9784 28.2668 14.2999 11.3778 67.1414 0.9911 11.2706 8.4967 56.4929 0.9207 6.0027 3.8353 17.9808 22.1148 5.0351 9.6233 12.5177 19.3617 5.5359 22.4925 17.6340 20.5247 13.6365 5.8834 95.8959 22.0739 24.0378 197.2597 102.9504 321.9573 30.2129 107.3424 19.8672 32.1096 10.7478 228.4772 27.2033 123.1451 112.1817 59.3522 128.2878 78.3359 69.5264 32.1228 62.3054 36.7407 13.0113 113.8415 117.5703 67.2084 69.9198 117.7905 57.5373 88.7510 49.0274 151.7125 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8465.8496 41904.0726 46827.3825 0.99996 0.00746 0.00409 -0.00744 0.99995 -0.00614 -0.00413 0.00611 0.99997 1 0.01023 0.00207 0.00185 0.21318 0.04307 0.03854 12.65 17.28 24.37 25.59 36.14 53.88 57.17 64.66 81.91 83.57 105.30 145.48 162.52 171.55 180.21 206.04 208.82 213.60 253.89 256.84 281.25 297.95 311.35 316.67 363.52 368.24 378.50 391.44 426.11 442.87 499.09 502.81 527.69 536.91 571.88 606.44 612.13 646.39 655.58 671.71 695.28 700.36 735.90 784.44 827.00 831.33 859.92 900.62 913.67 943.82 975.34 981.46 1000.84 1024.73 1052.40 1081.20 1098.02 1119.08 1134.51 1153.34 1157.20 1176.45 1182.42 1193.31 1215.50 1234.39 1263.57 1340.82 1342.57 1353.76 1396.90 1421.74 1445.47 1451.55 1478.10 1517.61 1518.69 1532.41 1549.81 1557.87 1566.17 1573.86 1583.41 1647.97 1665.19 1673.34 1684.60 1687.43 1728.75 1733.60 1760.19 1775.69 1787.95 1807.43 1815.46 1821.20 1877.37 1903.11 1910.03 1920.46 1931.49 1955.28 1994.86 2002.22 2010.82 2045.57 2056.73 2083.66 2126.69 2132.04 2166.71 2186.24 2213.89 2238.37 2253.60 2256.67 2303.23 2309.55 2323.12 2328.09 2346.11 2346.64 2354.32 2359.45 2361.41 2369.31 2373.00 2385.22 2412.40 2510.43 2529.32 2585.69 2594.05 2614.76 2636.22 2906.62 2956.61 4608.35 4633.53 4634.41 4647.56 4675.65 4683.06 4713.20 4719.65 4721.45 4739.55 4744.86 4750.52 4769.74 4829.92 4835.65 4851.09 4887.27 4889.25 4914.10 4939.12 5480.23 5483.14 0.450555 0.481086 0.482030 0.381441 -2592.216404 -2592.185873 -2592.184929 -2592.285518 3.373772D-04 MUNgauss RevisionA2.0 retrievium 26-Dec-2020 DUDE Cc1ccc2c(c1)sc(n2)NC(=O)[C@@H](CCSC)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C C02928991 RHF 6-31G(d) (6D,10F) C1 506.075235 |X|Y|Z| 61.084559 33.307572 146.984616 66.872686 23 6 7 8 16 16 4 1 2 |36.858105| |12.603956|36.858105| |7.547878|13.581028|36.858105| |5.008857|7.839765|13.841648|36.858105| |4.425743|6.820052|7.987443|13.687806|36.858105| |5.032414|7.981071|6.965662|7.946436|13.717089|36.858105| |7.560285|13.781193|7.938468|6.800177|7.844227|13.721187|36.858105| 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|1.451906|1.616049|1.609765|1.765905|2.003468|2.017735|1.790633|17.228527|2.578456|3.083379|4.220293|3.257686|5.052671|4.171829|0.116344|3.770455|4.285302|23.272387|3.361755|7.532992|49.826468|11.436607|8.854358|13.750470|36.858105| |1.320287|1.454542|1.449100|1.576216|1.763509|1.774795|1.596628|14.842621|2.200940|2.679017|3.515916|2.708945|4.301567|3.375183|0.095951|3.218692|3.808795|22.105291|3.432336|5.538900|33.638351|7.823711|6.810269|7.887087|13.688771|36.858105| |1.296690|1.425480|1.417487|1.538215|1.719470|1.735083|1.564953|14.512409|2.140358|2.604748|3.412118|2.600646|4.110678|3.236299|0.095927|3.096865|3.736356|21.789310|3.503623|4.993401|30.144186|6.623713|6.629505|6.982331|8.068562|13.835289|36.858105| |1.386011|1.532930|1.520490|1.656715|1.871172|1.896089|1.696653|16.135490|2.378903|2.853501|3.853025|2.893578|4.467517|3.662939|0.114449|3.383197|4.046071|22.432675|3.484164|5.475940|34.084816|6.922237|7.990278|8.145977|6.983374|7.912747|13.737259|36.858105| |1.536390|1.719884|1.703529|1.873931|2.155355|2.191185|1.927860|19.227445|2.857684|3.338645|4.795680|3.556542|5.283944|4.679960|0.152180|3.995825|4.573208|23.497693|3.392430|7.213942|49.531110|8.873165|11.741775|13.616834|7.817494|6.699910|7.881707|13.980243|36.858105| |1.316327|1.445530|1.432222|1.550055|1.734822|1.759837|1.590651|14.750320|2.154801|2.616643|3.414882|2.542550|3.987071|3.105272|0.097802|2.939873|3.484591|20.432336|3.257117|4.401573|26.152553|5.482270|6.511690|5.219047|4.679635|5.382626|8.525324|14.004547|7.781720|73.516695| |1.207651|1.316014|1.306110|1.405495|1.555290|1.572982|1.435565|12.949830|1.887774|2.325785|2.941696|2.209209|3.537111|2.647091|0.080582|2.580039|3.069344|18.998702|3.148919|3.783884|21.933347|4.819479|5.304729|4.235182|4.202583|5.288025|8.493664|8.640159|5.392024|25.034441|36.858105| |1.142055|1.237177|1.227618|1.314093|1.443152|1.459442|1.342215|11.869637|1.721640|2.140838|2.644518|1.978907|3.203843|2.319874|0.070305|2.284713|2.677425|17.158149|2.853211|3.256103|18.532420|4.135699|4.559985|3.366430|3.337526|4.032011|5.616945|5.706591|4.122489|15.115715|16.143590|73.516695| |1.197864|1.306209|1.298795|1.399615|1.547956|1.561483|1.423347|12.845258|1.881182|2.319925|2.939781|2.231699|3.588092|2.694990|0.079923|2.642626|3.170401|19.646613|3.282497|3.991048|23.207074|5.225385|5.342332|4.675894|5.136081|7.534524|13.819020|8.645013|5.418718|15.400215|13.874514|14.737528|53.358707| |1.106587|1.198630|1.193448|1.279316|1.401107|1.410229|1.296266|11.424226|1.668583|2.082834|2.567175|1.955167|3.199096|2.307832|0.066943|2.302737|2.721944|17.700936|2.989064|3.414100|19.386893|4.540463|4.438030|3.641475|4.174941|5.956814|7.527308|5.264535|3.904005|9.432047|7.663351|11.610064|17.918636|36.858105| |17.543498|8.837289|6.720535|4.598861|3.971515|4.313461|5.883012|22.526751|2.829740|4.206041|3.201277|2.099573|3.752578|1.816797|0.050199|1.653410|1.478179|9.580417|1.222433|2.360024|12.175930|3.002265|3.310202|1.495165|1.376300|1.259364|1.243311|1.330296|1.466807|2.260652|1.168513|1.972515|1.571343|1.067726|0.500000| |17.578696|8.832742|5.559109|4.155168|3.951792|4.753034|7.258807|25.282861|2.953693|4.208054|3.333693|2.143614|3.760576|1.866130|0.051644|1.671018|1.499482|9.604698|1.232659|2.469382|13.002614|3.246713|3.555236|1.582716|1.454953|1.324495|1.302762|1.393788|1.544117|2.356260|1.215611|2.044748|1.639286|1.112165|0.301852|0.500000| |17.543380|8.837444|6.714168|4.597035|3.972010|4.316270|5.888272|22.550123|2.830040|4.204582|3.199832|2.110553|3.795969|1.821433|0.049643|1.654640|1.474943|9.553668|1.216779|2.406760|12.414139|3.120248|3.324809|1.510738|1.401661|1.276065|1.247044|1.323588|1.461261|2.230103|1.156782|1.945199|1.569165|1.070087|0.302238|0.301863|0.500000| |7.048594|8.897042|17.699898|8.983874|5.670491|4.998550|5.654255|24.444196|3.438736|5.665979|3.773776|2.535354|4.732015|2.108086|0.056849|1.937545|1.685448|10.976558|1.367094|2.690942|13.353757|3.282974|3.567946|1.613342|1.486457|1.348170|1.319523|1.407489|1.562327|2.367684|1.222293|2.050825|1.655186|1.123628|0.192100|0.140935|0.191733|0.500000| |4.082227|5.589370|8.889054|17.736639|8.918593|5.653119|4.915588|28.868995|4.835129|9.522671|5.115321|3.521977|6.950647|2.743827|0.072320|2.521622|2.104708|13.586594|1.640379|3.376109|16.013592|3.861876|4.255208|1.894023|1.727528|1.547833|1.509126|1.618307|1.820144|2.694785|1.379888|2.296667|1.873406|1.261941|0.108181|0.095605|0.108121|0.214910|0.500000| |6.975126|8.908366|5.633235|4.914204|5.603322|8.879480|17.718243|44.091449|4.298705|5.762870|4.583071|2.769104|4.700546|2.358371|0.065706|2.032017|1.798694|11.198682|1.427864|3.124615|16.721046|4.143526|4.726815|1.966903|1.769605|1.582920|1.555019|1.686286|1.910737|2.818197|1.431710|2.383141|1.929190|1.291415|0.151729|0.221928|0.151935|0.124048|0.106891|0.500000| |2.399276|2.913618|2.908296|3.437639|4.534002|4.577220|3.489845|49.839776|9.355014|8.085903|25.948640|9.387826|10.846640|7.652575|0.225956|4.803410|3.867989|20.551862|2.493581|9.185932|46.665157|9.083883|16.354055|4.375728|3.440452|2.824148|2.758585|3.183043|4.107573|4.953567|2.357769|3.733958|3.194096|2.020958|0.062116|0.065798|0.061915|0.070022|0.089267|0.091432|0.500000| |1.754105|2.036729|2.172947|2.564694|2.896469|2.602147|2.190194|20.786192|3.848309|4.986525|6.712376|7.158327|12.691440|8.935032|0.210758|17.586819|8.851374|46.433383|4.264525|7.666835|28.310198|5.821374|6.823068|3.591739|3.150762|2.776120|2.736160|3.012429|3.480082|4.822932|2.390356|3.829749|3.266706|2.107761|0.047049|0.046906|0.046571|0.055715|0.073827|0.056563|0.125043|0.500000| |1.709801|1.976650|2.101016|2.463165|2.772740|2.510446|2.125064|20.088510|3.652504|4.713128|6.309891|6.846598|12.725757|8.877012|0.174231|17.585340|8.818785|46.525183|4.255467|9.640852|31.508084|6.782620|6.861525|3.882889|3.568930|3.045244|2.847623|3.003363|3.466485|4.643177|2.347110|3.718514|3.328437|2.178021|0.045373|0.045813|0.045947|0.053980|0.070721|0.055095|0.118421|0.305139|0.500000| |1.498007|1.695136|1.748301|1.978234|2.226631|2.123301|1.842545|17.525125|2.906463|3.594565|4.981967|4.487271|7.174339|6.829135|0.173894|8.815631|17.601500|56.471485|6.533791|9.564775|36.970646|7.430368|7.525342|5.801646|5.447724|4.701760|4.393791|4.575721|5.165478|6.643072|3.320310|5.031171|4.859604|3.046152|0.039872|0.040838|0.040107|0.045050|0.055374|0.049073|0.104447|0.173391|0.209924|0.500000| |1.528116|1.733378|1.790622|2.031888|2.290947|2.178285|1.884772|17.971464|3.002578|3.715091|5.170142|4.572758|7.180622|6.832462|0.209088|8.824441|17.552795|56.482996|6.551378|7.578288|31.843495|6.182034|7.432878|4.892622|4.190070|3.825663|3.978466|4.561544|5.152684|7.148224|3.423625|5.290309|4.640029|2.846016|0.041018|0.041613|0.040535|0.046089|0.056911|0.050093|0.108694|0.212171|0.173111|0.301639|0.500000| |1.190097|1.313631|1.364740|1.509919|1.623764|1.541375|1.386036|12.007400|1.919418|2.505823|2.999926|2.531509|4.424700|3.040029|0.083254|3.800824|5.102833|57.201534|17.605857|3.937037|17.997256|4.025158|4.120449|2.826050|2.869404|2.958454|3.007635|2.953295|2.854224|5.018070|2.791540|4.611829|3.946886|2.729915|0.032217|0.032345|0.032065|0.036033|0.042955|0.037030|0.061264|0.101663|0.101594|0.135118|0.135274|0.500000| |1.242836|1.376669|1.418818|1.571367|1.713849|1.642917|1.468784|13.066258|2.079313|2.660087|3.317180|2.800790|4.756696|3.535921|0.096579|4.327060|6.430171|55.960633|17.588535|4.818029|22.134732|4.894910|4.873366|3.678317|3.862028|4.047014|4.025318|3.812009|3.632691|6.148760|3.410058|5.381145|5.059730|3.413976|0.033418|0.033936|0.033457|0.037182|0.044281|0.039412|0.068955|0.107309|0.114408|0.196648|0.165025|0.300792|0.500000| |1.260256|1.397389|1.441809|1.598676|1.743396|1.668431|1.490274|13.249056|2.114204|2.709075|3.371415|2.821816|4.760798|3.535291|0.101500|4.328316|6.417326|55.957776|17.592214|4.486692|20.840793|4.475135|4.843407|3.401854|3.317358|3.434319|3.684024|3.791183|3.619118|6.523570|3.510544|5.685919|4.794360|3.127321|0.034097|0.034384|0.033714|0.037779|0.045083|0.039941|0.070127|0.114992|0.107155|0.164144|0.196860|0.300867|0.299037|0.500000| |1.845214|2.140802|2.198912|2.537798|2.979065|2.846400|2.384174|24.546476|4.233392|4.977827|7.657165|7.003090|10.407003|8.979290|0.179222|6.733113|5.411422|27.346948|3.187549|25.913309|61.199871|13.915781|10.500559|5.650084|5.032999|3.761841|3.295313|3.460800|4.299931|5.036548|2.506412|3.877356|3.647577|2.353365|0.047973|0.050245|0.049591|0.055433|0.069768|0.062923|0.157422|0.140459|0.199503|0.169331|0.128044|0.076722|0.092809|0.083763|0.500000| |1.465900|1.631757|1.628292|1.786335|2.021283|2.030152|1.803500|17.198981|2.579150|3.104251|4.173989|3.243483|5.110711|4.025927|0.107189|3.654765|3.975324|22.232549|3.118459|7.590028|47.851597|13.069992|8.173110|8.945984|17.755438|8.916924|5.704288|5.012635|5.605094|6.585169|3.428203|5.037391|5.598041|3.591518|0.038433|0.040746|0.039530|0.041801|0.048598|0.049413|0.092920|0.084445|0.100062|0.139550|0.103642|0.075249|0.099267|0.083332|0.152542|0.500000| |1.248407|1.367339|1.364105|1.476793|1.636889|1.643687|1.490441|13.536182|2.001198|2.466848|3.142199|2.428499|3.933155|2.943749|0.082066|2.873028|3.356491|20.530302|3.225302|4.771190|27.826234|6.846213|5.716482|5.619473|8.861693|17.749797|8.864671|5.618924|4.864033|7.726648|4.568077|6.527014|8.967100|6.238480|0.033096|0.034773|0.033674|0.035428|0.040403|0.041061|0.069037|0.069565|0.077350|0.113431|0.091706|0.079161|0.106958|0.087857|0.093344|0.213997|0.500000| |1.625176|1.828859|1.805248|1.990546|2.312080|2.365191|2.066621|21.120944|3.121776|3.592839|5.287212|3.792551|5.521210|4.891670|0.171526|4.012980|4.381574|22.531075|3.160677|6.972006|46.759824|8.174730|13.476441|8.791294|5.582625|4.866281|5.612839|8.917648|17.775723|12.190758|4.692902|6.750829|5.981190|3.310617|0.043176|0.045422|0.042614|0.045747|0.053413|0.056932|0.129424|0.100014|0.094585|0.128574|0.141971|0.074624|0.090765|0.094967|0.113665|0.123417|0.106093|0.500000| |1.061439|1.145309|1.139827|1.217576|1.327600|1.336880|1.234738|10.758055|1.565396|1.963638|2.388951|1.811325|2.977858|2.111670|0.061598|2.115281|2.479925|16.422950|2.781936|3.062408|17.236029|4.025527|4.037590|3.126235|3.431321|4.517278|5.659628|4.511617|3.426960|8.803984|7.497380|13.556076|12.631856|17.670733|0.028544|0.029649|0.028491|0.029885|0.033380|0.034210|0.052061|0.054565|0.055453|0.075277|0.072740|0.071744|0.086060|0.082051|0.058642|0.083426|0.128097|0.083646|0.500000| |1.092004|1.184426|1.185694|1.274825|1.391634|1.390378|1.275623|11.193846|1.653525|2.076371|2.548279|1.968115|3.247491|2.333184|0.066764|2.378941|2.855181|19.028609|3.306570|3.451373|19.046833|4.481651|4.288242|3.526085|4.144220|5.878555|6.649817|4.703181|3.652372|8.089422|5.968430|9.265127|12.420479|17.589412|0.029275|0.030379|0.029406|0.031071|0.035095|0.035142|0.055212|0.060235|0.063074|0.089659|0.081559|0.084382|0.108054|0.094262|0.066707|0.101240|0.182108|0.086143|0.300100|0.500000| |1.098582|1.186481|1.176671|1.256376|1.375691|1.392060|1.284623|11.281413|1.631118|2.033782|2.492885|1.882757|3.082468|2.195742|0.063227|2.160951|2.494912|16.136494|2.638426|3.297462|19.066620|4.583011|4.344875|3.531838|4.150198|5.882055|6.653859|4.713194|3.661424|8.112054|5.985586|9.287745|12.419256|17.589788|0.029375|0.030753|0.029563|0.030771|0.034324|0.035684|0.054612|0.054844|0.057314|0.077761|0.071520|0.067388|0.083195|0.075436|0.063778|0.101494|0.182280|0.086474|0.300079|0.299249|0.500000| 2589.890444 -13822.144201 5044.866894 -260.230667 -6447.617530 3854.950519 -2592.667011 2.001072 40B52FFFFFFFFFF6 4536AC92393F58AD 44B5FCACD2AA086A 41C54695F8000002 C020000000000000 43D9689128458734