Version2.4 2021-05-28T19:33:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n2c(n1)nc(n2)SCC(=O)N[C@H](c3ccccc3)c4nccn4C)C)CC(=O)[O-] C13405055 RHF 6-31G(d) (6D,7F) Cc1c(c(n2c(n1)nc(n2)SCC(=O)N[C@H](c3ccccc3)c4nccn4C)C)CC(=O)[O-] C01[X(C22H22N7O3S1)] 159 C1 543 O=C(N[C@@H](c1nccn1C)c1ccccc1)CSc1nn2c(n1)nc(c(c2C)CC(=O)[O-])C O=C(N[C@@H](c1nccn1C)c1ccccc1)CSc1nn2c(n1)nc(c(c2C)CC(=O)[O-])C Cn1ccnc1[C@H](NC(=O)CSc2nn3c(C)c(CC([O-])=O)c(C)nc3n2)c4ccccc4 InChIKey=VNCGEQJOFMTESL-LJQANCHMSA-M InChI=1S/C22H23N7O3S/c1-13-16(11-18(31)32)14(2)29-21(24-13)26-22(27-29)33-12-17(30)25-19(15-7-5-4-6-8-15)20-23-9-10-28(20)3/h4-10,19H,11-12H2,1-3H3,(H,25,30)(H,31,32)/p-1/t19-/m1/s1 InChI=1/C22H23N7O3S/c1-13-16(11-18(31)32)14(2)29-21(24-13)26-22(27-29)33-12-17(30)25-19(15-7-5-4-6-8-15)20-23-9-10-28(20)3/h4-10,19H,11-12H2,1-3H3,(H,25,30)(H,31,32)/p-1/t19-/m1/s1/fC22H22N7O3S/h25H/q-1 Cc1c(c(n2c(n1)nc(n2)SCC(=O)N[C@H](c3ccccc3)c4nccn4C)C)CC(=O)[O-] C01[X(C22H22N7O3S1)] 159 C01 543 O=C(N[C@@H](c1nccn1C)c1ccccc1)CSc1nn2c(n1)nc(c(c2C)CC(=O)[O-])C O=C(N[C@@H]([C]1[N][CH]=C[N]1C)[C]1[CH][CH][CH][CH][CH]1)CS[C]1[N][C]2[N][C]([C](=C(N2[N]1)C)C[C]([O])[O])C C[C]1[N][C]2[N][C]([N]N2C(=C1C[C]([O])[O])C)SCC(=O)N[C@H]([C]3[CH][CH][CH][CH][CH]3)[C]4[N]C=CN4C InChIKey=RBHMMFJDDGRNJG-LJQANCHMSA-N InChI=1S/C22H22N7O3S/c1-13-16(11-18(31)32)14(2)29-21(24-13)26-22(27-29)33-12-17(30)25-19(15-7-5-4-6-8-15)20-23-9-10-28(20)3/h4-10,19H,11-12H2,1-3H3,(H,25,30)/t19-/m1/s1 InChI=1/C22H22N7O3S/c1-13-16(11-18(31)32)14(2)29-21(24-13)26-22(27-29)33-12-17(30)25-19(15-7-5-4-6-8-15)20-23-9-10-28(20)3/h4-10,19H,11-12H2,1-3H3,(H,25,30)/t19-/m1/s1/f/h25H 3251.9080503293 -1849.2169387 1-A 28059.2977 122 421 543 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0.9830 2.5506 1.5931 4.1621 7.1744 0.9832 1.0539 1.6456 1.6066 1.3794 1.3031 1.2587 1.5516 2.7007 1.1305 2.0034 1.7557 5.6579 1.2470 2.0512 1.3781 2.4554 1.1451 1.7114 1.1856 2.1382 2.1228 3.9460 2.9999 2.8122 3.1021 1.8192 9.1478 2.0780 2.7147 5.1593 2.2063 13.9859 2.9762 5.6170 1.9809 2.1035 1.7518 1.9612 2.3575 3.1452 2.0873 2.6837 2.2945 1.7713 2.6647 1.8400 1.9438 2.8464 1.9305 5.0682 3.1616 12.1013 9.7800 13.1109 9.6864 10.0020 17.8001 22.1327 21.3065 6.3023 6.3415 6.3833 6.5791 6.6638 6.8900 7.0242 6.9442 7.0967 7.1607 7.2084 7.0968 7.2553 7.2948 7.1832 7.2450 7.3239 7.4064 7.5036 7.5988 7.8372 9.4990 2.8138 0.7394 0.1861 0.1162 0.6509 0.0341 9.3804 3.6996 7.9466 3.1487 8.0046 4.3902 10.2649 5.0959 1.7092 0.2442 0.9147 17.5917 3.1133 2.6218 5.9329 0.2371 0.2159 1.1512 11.2238 2.0249 10.8302 1.8511 4.3945 0.5931 2.5379 4.3384 6.8562 1.4838 2.2905 0.2296 0.7087 1.7808 117.9267 50.8927 7.8613 4.8017 48.0278 3.5496 5.6141 10.1922 18.2195 0.5806 1.2521 2.4513 26.1290 14.4856 6.8771 12.7898 48.1840 5.8944 21.4380 2.4171 37.9777 17.6700 18.0565 1.3107 18.7728 63.3516 23.4167 8.7719 0.5327 1.9803 38.3749 6.8982 13.4084 2.2171 5.4343 0.1012 1.5613 0.3437 9.4856 0.2495 2.2407 1.9787 14.4444 16.4522 4.3982 3.3430 3.1047 13.9172 9.7452 0.7383 24.4385 10.4168 3.4623 18.6034 25.7630 27.8284 1.1291 6.7398 4.2156 270.8600 10.0764 31.5947 14.5240 3.8961 48.3619 13.6678 382.4893 13.2576 2.7498 76.6024 53.5211 415.8183 26.5946 54.3414 20.9894 5.8248 7.3692 23.6789 21.9464 13.8549 3.5093 28.7034 9.3704 12.6501 15.2720 5.8096 22.5599 21.1372 1.7732 69.4841 669.3577 179.2297 16.9023 163.5865 2.4629 4.0163 375.4630 623.5558 244.8288 26.2078 29.0416 44.6741 53.8071 14.2710 30.6174 34.4410 12.4864 23.0784 1.2125 12.9173 6.2790 7.3373 5.9882 1.7851 6.1261 44.2137 37.8274 2.7092 11.1640 11.0867 38.9794 2.2911 3.5864 7.5623 0.7753 1.1115 0.7558 3.0906 0.3317 1.0535 3.1099 0.9108 1.1153 1.0066 0.6728 0.4633 0.9132 0.9945 0.7864 1.0953 0.6972 2.3703 2.9626 1.2928 0.8163 1.2634 0.8205 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0.5844 0.8369 0.8504 0.8237 0.8509 0.7178 0.4510 0.8309 0.5557 0.1448 0.1832 0.0677 0.2166 0.0996 0.6675 0.8369 0.6050 0.7263 0.7579 0.8562 0.3333 0.8449 0.8349 0.8354 0.8114 0.8571 0.2081 0.2545 0.7299 0.2827 0.2896 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 6 6 6 6 7 6 7 7 6 7 16 6 6 8 7 6 1 6 6 6 6 6 6 6 7 6 6 7 6 6 6 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 14.00307 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 7011.0380 46725.7842 49272.9061 0.99999 -0.00149 0.00392 0.00144 0.99991 0.01352 -0.00394 -0.01351 0.99990 1 0.01235 0.00185 0.00176 0.25741 0.03862 0.03663 10.62 14.79 26.99 35.71 37.20 38.84 45.59 70.00 87.42 102.38 112.75 133.90 146.07 168.82 196.85 214.07 222.77 243.47 251.30 273.33 293.39 317.76 354.21 380.96 387.87 399.91 412.09 442.27 455.02 502.67 519.65 552.80 595.43 626.27 639.59 652.61 656.41 729.79 737.00 766.50 779.16 834.15 870.74 878.08 920.90 929.31 970.69 974.85 996.20 998.69 1019.70 1031.51 1074.02 1106.05 1124.24 1155.22 1177.61 1205.89 1212.93 1233.87 1279.35 1282.78 1315.21 1326.10 1365.12 1379.20 1387.52 1408.56 1418.74 1466.39 1469.62 1489.39 1511.48 1555.80 1565.76 1571.47 1591.14 1597.52 1628.65 1631.75 1650.49 1661.03 1687.88 1703.79 1705.83 1720.60 1737.14 1745.87 1749.18 1815.13 1817.76 1822.54 1852.94 1863.26 1874.97 1876.42 1884.15 1902.33 1936.74 1949.27 1992.50 2039.64 2056.12 2069.95 2088.44 2108.50 2149.87 2158.27 2170.30 2182.63 2203.86 2206.35 2254.49 2267.59 2303.37 2306.66 2326.36 2330.36 2334.81 2343.97 2356.61 2356.87 2367.51 2375.80 2402.88 2406.25 2406.30 2421.02 2431.75 2456.22 2501.05 2507.70 2568.24 2606.73 2645.67 2740.72 2791.08 4600.64 4608.27 4650.19 4669.46 4693.88 4713.55 4724.77 4737.44 4758.39 4775.59 4782.90 4789.34 4800.69 4812.52 4819.53 4831.85 4849.20 4867.63 4909.02 4944.96 4987.45 5561.46 0.460253 0.489129 0.490073 0.392403 -1848.756686 -1848.727810 -1848.726865 -1848.824536 3.275901D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE Cc1c(c(n2c(n1)nc(n2)SCC(=O)N[C@H](c3ccccc3)c4nccn4C)C)CC(=O)[O-] C13405055 RHF 6-31G(d) (6D,10F) C1 464.150485 |X|Y|Z| 52.668678 37.439772 154.541063 67.294025 25 6 7 16 17 7 1 |36.858105| |12.662332|36.858105| |7.480909|13.251779|36.858105| |5.049505|7.960467|13.985624|36.858105| |4.599696|7.222233|8.214373|13.976479|53.358707| |5.269258|8.469750|7.027840|7.994963|19.242384|36.858105| |7.974214|14.598846|7.871886|6.816193|11.069569|14.300233|53.358707| |3.982288|5.406685|4.742298|5.469714|11.887743|14.370359|10.819982|53.358707| |3.353475|4.467730|4.400889|5.612559|12.599808|9.189189|7.656074|19.412616|36.858105| |3.478071|4.789688|5.266226|7.823963|19.096196|8.598964|7.448492|11.522090|14.621689|53.358707| |2.572140|3.166221|3.138907|3.780577|6.890200|5.023621|5.122327|9.464803|10.794588|9.752931|388.023441| |2.522625|2.994752|2.800764|3.152262|5.538851|4.576563|5.010806|9.115568|7.046168|6.551346|74.764116|36.858105| |2.105658|2.419789|2.296939|2.547452|4.233720|3.358445|3.882850|5.951446|4.655427|4.924504|49.424252|12.581892|36.858105| |1.926261|2.208347|2.144418|2.401533|3.916836|2.984246|3.456626|5.068426|4.173130|4.649767|46.420901|7.936181|15.843285|73.516695| |2.003567|2.246951|2.097881|2.266752|3.681581|2.982708|3.593212|5.113625|3.737225|4.087326|34.036641|7.907984|14.038048|15.101149|53.358707| |1.740544|1.919139|1.811152|1.942113|3.069561|2.433364|2.993524|3.984018|2.947960|3.378081|26.159086|5.046400|7.806007|12.302871|17.847030|36.858105| |1.669214|1.848738|1.768520|1.914070|3.013010|2.341175|2.855720|3.801530|2.897699|3.365867|26.516964|4.753255|7.536287|14.139438|12.806766|17.687219|0.500000| |1.657607|1.797782|1.684934|1.780610|2.773252|2.211206|2.783953|3.535237|2.555653|2.982841|21.394380|3.956354|5.188525|8.208851|10.625197|12.484448|0.250363|36.858105| |1.586155|1.717243|1.621944|1.716848|2.652363|2.089143|2.633165|3.293589|2.409130|2.855999|20.054241|3.513869|4.441771|7.360588|7.960323|7.604566|0.207201|13.694560|36.858105| |1.502591|1.605049|1.511962|1.582806|2.413255|1.902047|2.438770|2.938147|2.123170|2.556763|17.039674|2.898306|3.421032|5.683825|5.799988|5.022326|0.134702|7.889854|13.764695|36.858105| |1.482368|1.565732|1.462687|1.514737|2.297391|1.827163|2.376800|2.800159|1.989166|2.400737|15.595190|2.668948|3.056488|5.000475|5.208267|4.414516|0.111836|6.825909|7.944312|13.748212|36.858105| |1.540368|1.626138|1.508339|1.557855|2.374415|1.907162|2.486149|2.944201|2.069027|2.474225|16.197325|2.847932|3.270009|5.241505|5.781779|4.975779|0.117374|7.910302|6.904771|7.960316|13.762667|36.858105| |1.630310|1.742648|1.617105|1.684786|2.600421|2.095254|2.692176|3.300888|2.330231|2.741722|18.713949|3.423536|4.123254|6.466762|7.904047|7.435802|0.156533|13.708226|7.960475|6.873692|7.917760|13.735512|36.858105| |1.660959|1.819910|1.721612|1.836918|2.875626|2.269576|2.816207|3.660002|2.703479|3.143420|23.506095|4.319487|6.021368|10.230984|10.597257|12.590973|0.250821|7.449476|5.089727|3.882894|3.682879|4.336776|6.266501|36.858105| |1.696701|1.842690|1.724660|1.818605|2.836080|2.269253|2.858301|3.633066|2.613423|3.043111|21.733997|4.013624|4.998308|8.064572|8.569602|7.642628|0.159341|5.940951|4.179878|3.432129|3.453523|4.265397|6.048551|14.695429|53.358707| |1.575303|1.702978|1.609704|1.695808|2.610978|2.057896|2.603799|3.228350|2.352110|2.798735|19.375365|3.343114|3.996330|6.884281|6.144025|5.294653|0.125785|4.346539|3.357751|2.859805|2.882194|3.435678|4.422227|8.971729|18.983795|36.858105| |1.487082|1.615740|1.547696|1.645413|2.524281|1.954466|2.450014|3.053678|2.281169|2.743368|19.276246|3.195819|3.947891|7.289417|5.794139|5.233678|0.135438|4.154788|3.345216|2.810698|2.744259|3.138737|3.945054|8.740421|11.659140|14.119201|36.858105| |1.532084|1.677585|1.609347|1.724758|2.669870|2.064443|2.558618|3.270906|2.471074|2.939065|21.621383|3.658674|4.909029|9.386105|7.370939|7.559618|0.204546|5.320294|4.190514|3.326337|3.122190|3.512137|4.582451|14.099623|11.816413|8.765040|13.880725|53.358707| |1.455916|1.599996|1.555191|1.680809|2.587164|1.963464|2.417368|3.084307|2.387116|2.883687|21.298045|3.393052|4.557232|9.614820|6.343322|6.202814|0.205148|4.620036|4.045529|3.211623|2.898299|3.087142|3.805682|7.568573|7.209463|5.318107|7.581410|17.870011|36.858105| |3.740721|4.979108|7.467282|12.697979|10.596264|5.122736|6.045250|5.628524|4.618582|9.001549|24.655496|2.792327|2.339243|4.031123|2.816395|1.805445|0.050112|1.652517|1.607448|1.482797|1.410522|1.440477|1.553685|1.713887|2.287565|1.583923|1.557951|2.224428|1.616519|36.858105| |6.395691|7.392672|12.564299|7.598048|6.947695|4.508054|6.837011|4.686588|3.295090|5.254044|18.082562|2.293430|1.945513|3.273572|2.447212|1.583298|0.043123|1.486336|1.439294|1.353983|1.314474|1.349969|1.434193|1.515658|2.068624|1.432941|1.383642|1.946580|1.389016|6.291241|36.858105| |5.234652|5.540124|7.480858|5.733506|5.744244|3.787898|5.637922|4.117336|2.927016|4.599881|16.568429|2.113530|1.819955|3.073597|2.306599|1.502455|0.041127|1.425717|1.397093|1.324362|1.282318|1.304380|1.373408|1.425075|1.932000|1.334489|1.294114|1.831258|1.315550|5.315666|12.177693|36.858105| |5.775094|5.411024|6.123645|4.656612|5.089976|3.575668|5.567417|3.939424|2.724528|4.119856|15.596629|2.044195|1.767422|2.962520|2.269097|1.479945|0.040324|1.418474|1.392492|1.329477|1.293708|1.314595|1.375094|1.399543|1.903967|1.310134|1.264441|1.788935|1.279960|4.118487|8.062836|15.466787|73.516695| |3.964415|4.344535|5.841217|5.280155|5.345903|3.391269|4.768504|3.808658|2.806006|4.496516|16.235202|2.031261|1.767643|3.019939|2.226866|1.459198|0.040257|1.381641|1.361692|1.289377|1.241396|1.256453|1.322836|1.382579|1.861337|1.290004|1.260582|1.788709|1.295837|5.674663|8.060180|15.471813|15.157494|73.516695| |17.595523|8.937652|6.921024|4.720889|5.614024|4.448407|8.195950|4.718475|3.026850|4.350289|16.862788|2.301351|1.950191|3.199128|2.530576|1.629467|0.043685|1.562121|1.509550|1.438530|1.415854|1.459161|1.533010|1.548414|2.138984|1.462154|1.389010|1.953312|1.373816|3.672497|6.880220|6.379076|14.236718|8.068216|0.500000| |17.617518|8.984142|5.562589|4.228750|5.642600|5.045294|10.589775|5.460197|3.270185|4.427889|18.139151|2.590001|2.162856|3.476271|2.842729|1.808398|0.047777|1.736498|1.655893|1.575053|1.564507|1.632280|1.722198|1.720981|2.408023|1.630872|1.527060|2.141312|1.484067|3.221067|4.719719|4.151902|8.262702|5.894578|0.296563|0.500000| |17.515715|8.907935|6.526725|4.557003|5.576959|4.534600|8.535090|4.836306|3.060800|4.339750|17.058848|2.348779|1.982813|3.247698|2.569456|1.654701|0.044064|1.571248|1.496488|1.417604|1.403698|1.464916|1.552072|1.598618|2.236002|1.539888|1.452463|2.019286|1.407208|3.519868|6.210548|4.762586|8.946667|6.557831|0.301325|0.300425|0.500000| |2.627031|3.103537|2.850089|3.150765|5.509432|4.716817|5.264669|9.392344|6.560406|6.233088|56.274708|17.593778|8.954325|11.198136|9.407059|4.678774|0.117566|3.712390|3.199316|2.690433|2.549488|2.786982|3.363926|4.339083|5.842787|3.594190|3.319787|4.969573|3.256507|2.745009|2.327950|2.107134|3.627771|3.563120|0.065495|0.075382|0.068742|0.500000| |2.681074|3.173600|2.901177|3.213749|5.652205|4.878077|5.421024|9.847616|6.777728|6.375055|56.341792|17.635256|8.886346|10.732998|9.958138|4.714378|0.121746|3.989013|3.631178|3.049290|2.811283|2.968642|3.494849|3.881791|4.979077|3.019467|2.853923|4.421645|3.022492|2.791551|2.359181|2.201834|3.833322|3.734122|0.068090|0.077574|0.068109|0.304254|0.500000| |2.124966|2.367038|2.167874|2.309697|3.757585|3.133871|3.837926|5.399718|3.743181|4.063132|31.611085|7.569475|9.368440|10.890572|26.032751|9.054318|0.182053|7.155420|5.304231|4.133507|3.903582|4.493509|6.127957|6.606855|8.469839|4.378523|3.902300|6.296140|3.886671|2.073225|1.849336|1.737667|3.060799|2.954710|0.054392|0.062308|0.055470|0.202727|0.214875|0.500000| |1.582994|1.728039|1.648524|1.762405|2.727582|2.120578|2.641208|3.348544|2.503002|2.978156|21.351833|3.631791|4.694520|8.142568|7.804491|7.116457|0.229777|8.909800|17.700181|8.940636|5.652780|4.967193|5.653536|4.741698|5.156052|3.132541|3.221874|5.595082|4.238327|1.664180|1.461859|1.423110|2.509223|2.481001|0.041987|0.045574|0.041413|0.089217|0.103222|0.136445|0.500000| |1.443476|1.539139|1.458906|1.527920|2.312991|1.806593|2.319603|2.760940|2.009931|2.449499|16.029866|2.641650|3.057621|5.183844|4.931194|4.106947|0.115292|5.627630|8.928227|17.711522|8.903764|5.651541|4.951936|3.271058|3.953365|2.490907|2.484353|3.958774|2.899130|1.441137|1.313643|1.294599|2.312239|2.250333|0.038641|0.041882|0.037774|0.067640|0.077427|0.096893|0.216115|0.500000| |1.411837|1.478664|1.382377|1.423124|2.138920|1.696043|2.226569|2.564525|1.817832|2.218040|14.028201|2.348272|2.622018|4.330731|4.309365|3.533774|0.091483|4.926948|5.646035|8.904652|17.710137|8.907872|5.634742|3.062179|3.984791|2.517361|2.403761|3.638337|2.513148|1.328364|1.251114|1.226793|2.208924|2.111877|0.037639|0.041424|0.037170|0.062641|0.068897|0.090193|0.124245|0.214379|0.500000| |1.504416|1.572430|1.452891|1.488297|2.252564|1.814053|2.393107|2.769266|1.929480|2.323552|14.827195|2.573773|2.869765|4.615651|4.909400|4.060146|0.096936|5.638756|4.967921|5.653294|8.917962|17.710078|8.932582|3.777526|5.327234|3.255759|2.918258|4.268225|2.739448|1.373651|1.306947|1.261707|2.268355|2.154023|0.039572|0.044450|0.039904|0.071251|0.074415|0.107955|0.107756|0.124134|0.214721|0.500000| |1.661255|1.772209|1.637267|1.699863|2.625646|2.128276|2.745301|3.355694|2.348350|2.755678|18.703610|3.452740|4.080331|6.345093|7.691389|6.872370|0.141285|8.923424|5.657684|4.955499|5.642366|8.916974|17.757173|6.892874|10.613539|5.348249|4.407581|6.606724|3.790003|1.560753|1.450607|1.377865|2.449793|2.350776|0.043113|0.048837|0.044190|0.097773|0.096092|0.172965|0.124258|0.107559|0.124084|0.215717|0.500000| |1.554385|1.666269|1.569975|1.640012|2.505328|1.979924|2.535377|3.065239|2.208651|2.652070|17.678526|2.996514|3.403216|5.805781|5.130818|4.177004|0.100950|3.637966|2.899724|2.550100|2.621383|3.126927|3.851347|6.067985|12.164104|17.799936|8.732242|8.048678|4.145160|1.528502|1.404562|1.303573|2.279066|2.233257|0.039993|0.044775|0.042483|0.091083|0.076118|0.105168|0.075017|0.062332|0.064774|0.084948|0.130453|0.500000| |1.397846|1.514680|1.462159|1.554551|2.362323|1.809204|2.274011|2.789128|2.100212|2.565946|17.593450|2.802059|3.361201|6.354732|4.757990|4.142400|0.112177|3.433496|2.897212|2.490447|2.428722|2.717259|3.274175|5.958169|7.916281|8.606139|17.823105|12.125164|6.811085|1.485340|1.317133|1.232665|2.135948|2.142364|0.036388|0.039676|0.038091|0.080487|0.069797|0.089553|0.078706|0.062296|0.060102|0.071024|0.099266|0.193689|0.500000| |1.393490|1.522529|1.478421|1.590617|2.433962|1.848553|2.292118|2.882618|2.216130|2.693355|19.436210|3.094317|4.090684|8.349944|5.926574|6.042523|0.208485|4.945275|4.541295|3.590274|3.170450|3.297493|3.988828|6.554099|6.391698|4.551261|5.942378|12.357237|17.584309|1.531721|1.326272|1.265947|2.198596|2.219453|0.036704|0.039546|0.037309|0.081450|0.078843|0.101944|0.133678|0.090352|0.076016|0.080121|0.106139|0.101653|0.150927|0.500000| |1.533449|1.703062|1.664529|1.819131|2.824508|2.127359|2.581594|3.376065|2.668079|3.204420|24.808124|3.873186|5.420602|12.765710|6.956756|6.314926|0.226750|4.468211|4.016254|3.143141|2.783156|2.919375|3.578655|6.754821|6.533461|4.599722|5.931484|12.416611|17.632203|1.755415|1.477504|1.398142|2.407307|2.455528|0.040184|0.043241|0.041028|0.100386|0.093633|0.114088|0.121782|0.079737|0.067170|0.071689|0.097872|0.102505|0.148879|0.298882|0.500000| |1.379425|1.510802|1.477167|1.594262|2.430729|1.829679|2.262815|2.835957|2.201123|2.700429|19.293558|2.966669|3.766698|7.857122|5.108749|4.631784|0.144768|3.696850|3.314079|2.749220|2.529530|2.685989|3.206000|5.686497|6.124246|4.915005|7.348484|12.569605|17.632161|1.544865|1.328801|1.256683|2.168435|2.206038|0.036209|0.038904|0.037242|0.080379|0.073567|0.090250|0.095709|0.070089|0.062148|0.067696|0.090080|0.110909|0.217263|0.301499|0.300749|0.500000| |3.401183|4.375810|6.136783|8.929143|8.887464|4.566144|5.417231|5.214405|4.325043|8.183365|23.971411|2.703269|2.287282|3.980493|2.743835|1.771120|0.049185|1.609799|1.556242|1.431631|1.364835|1.400243|1.515974|1.702919|2.279990|1.593814|1.571820|2.228015|1.619234|17.519214|5.487060|4.431814|6.273937|8.303324|0.091100|0.082071|0.092220|0.074863|0.073470|0.055903|0.044700|0.038547|0.035668|0.037157|0.042527|0.042863|0.041840|0.042375|0.048812|0.043273|0.500000| |3.277038|4.267301|5.687807|8.965165|10.046555|4.884867|5.517047|5.702227|4.975358|10.149988|27.217913|2.958313|2.486318|4.327397|2.955809|1.891294|0.052985|1.723779|1.688469|1.550029|1.461324|1.483826|1.603641|1.778138|2.346435|1.618796|1.604112|2.312598|1.696572|17.618461|4.783877|4.426993|6.425193|8.600348|0.089666|0.080985|0.084581|0.078828|0.082010|0.059799|0.048988|0.041983|0.038135|0.039067|0.044469|0.043068|0.042448|0.044716|0.051593|0.044902|0.302571|0.500000| |3.698209|4.647276|7.038341|8.972705|7.847296|4.265583|5.392544|4.738317|3.737489|6.676290|20.843671|2.445280|2.087753|3.601629|2.553402|1.654443|0.045924|1.531768|1.498729|1.394871|1.330902|1.353732|1.447815|1.571035|2.100727|1.458134|1.434103|2.042424|1.486401|17.647654|7.181413|6.634089|8.437218|14.101573|0.105174|0.087309|0.096939|0.066767|0.068620|0.052348|0.043014|0.037829|0.035013|0.035985|0.040313|0.039211|0.038087|0.039360|0.044556|0.039554|0.297836|0.299574|0.500000| |7.395463|7.079551|8.922865|5.698560|5.862177|4.080009|6.524465|4.331765|2.971518|4.552416|16.618760|2.162805|1.846906|3.095663|2.348654|1.526368|0.041341|1.439850|1.388673|1.311965|1.282760|1.322739|1.401190|1.470443|2.022978|1.405031|1.349268|1.886039|1.337885|4.733546|17.600409|8.755750|13.285909|10.699976|0.221995|0.144923|0.224703|0.061714|0.061816|0.049616|0.038941|0.035284|0.033998|0.035767|0.039536|0.038485|0.035695|0.035499|0.039294|0.035611|0.121952|0.105700|0.142750|0.500000| |4.833476|5.610235|8.916232|7.138496|6.508516|4.040530|5.759016|4.351531|3.169602|5.166034|17.736526|2.208546|1.890066|3.216443|2.361329|1.537240|0.042071|1.434838|1.388931|1.302908|1.261987|1.296001|1.380348|1.480647|2.016304|1.406931|1.366172|1.917076|1.374301|7.031292|17.598069|8.733799|10.510229|13.617705|0.138387|0.105804|0.136812|0.062266|0.062144|0.049189|0.039310|0.035138|0.033339|0.034822|0.038820|0.038320|0.036303|0.036356|0.040666|0.036701|0.183638|0.141033|0.234059|0.302986|0.500000| 1847.263469 -10869.221159 4139.643709 -218.811316 -5101.125297 3251.908284 -1849.217013 2.001058 40B3080000000000 4503DDDF44680CAA 4484EDF4B16A7496 41D65BF06FFFFFFF 37D16C2614EA0800 44179C4D8E1360F9