Version2.0 2020-07-26T09:13:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c4cccc(NC(=O)c3ccccc3)c4 305638 CHEMBL182708 RHF 6-31G(d) (6D,7F) C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c4cccc(NC(=O)c3ccccc3)c4 C01[X(C27H29N3O5S1)] 189 C1 602 C[C@H](Cc1c[nH]c2c1cccc2OS(=O)(=O)C)NC[C@@H](c1cccc(c1)NC(=O)c1ccccc1)O C[C@H](Cc1c[nH]c2c1cccc2OS(=O)(=O)C)NC[C@@H](c1cccc(c1)NC(=O)c1ccccc1)O C[C@H](Cc1c[nH]c2c(O[S](C)(=O)=O)cccc12)NC[C@H](O)c3cccc(NC(=O)c4ccccc4)c3 InChIKey=WYTFAQBIDABWBM-KOSHJBKYSA-N InChI=1S/C27H29N3O5S/c1-18(14-21-16-29-26-23(21)12-7-13-25(26)35-36(2,33)34)28-17-24(31)20-10-6-11-22(15-20)30-27(32)19-8-4-3-5-9-19/h3-13,15-16,18,24,28-29,31H,14,17H2,1-2H3,(H,30,32)/t18-,24+/m1/s1 InChI=1/C27H29N3O5S/c1-18(14-21-16-29-26-23(21)12-7-13-25(26)35-36(2,33)34)28-17-24(31)20-10-6-11-22(15-20)30-27(32)19-8-4-3-5-9-19/h3-13,15-16,18,24,28-29,31H,14,17H2,1-2H3,(H,30,32)/t18-,24+/m1/s1/f/h30H C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c4cccc(NC(=O)c3ccccc3)c4 C01[X(C27H29N3O5S1)] 189 C01 602 C[C@H](Cc1c[nH]c2c1cccc2OS(=O)(=O)C)NC[C@@H](c1cccc(c1)NC(=O)c1ccccc1)O C[C@H](C[C]1=CN[C]2[C]1[CH][CH][CH][C]2OS(=O)(=O)C)NC[C@@H]([C]1[CH][CH][CH][C]([CH]1)NC(=O)[C]1[CH][CH][CH][CH][CH]1)O C[C@H](CC1=CN[C]2[C]([CH][CH][CH][C]12)O[S](C)(=O)=O)NC[C@H](O)[C]3[CH][CH][CH][C]([CH]3)NC(=O)[C]4[CH][CH][CH][CH][CH]4 InChIKey=WYTFAQBIDABWBM-KOSHJBKYSA-N InChI=1S/C27H29N3O5S/c1-18(14-21-16-29-26-23(21)12-7-13-25(26)35-36(2,33)34)28-17-24(31)20-10-6-11-22(15-20)30-27(32)19-8-4-3-5-9-19/h3-13,15-16,18,24,28-29,31H,14,17H2,1-2H3,(H,30,32)/t18-,24+/m1/s1 InChI=1/C27H29N3O5S/c1-18(14-21-16-29-26-23(21)12-7-13-25(26)35-36(2,33)34)28-17-24(31)20-10-6-11-22(15-20)30-27(32)19-8-4-3-5-9-19/h3-13,15-16,18,24,28-29,31H,14,17H2,1-2H3,(H,30,32)/t18-,24+/m1/s1/f/h30H 4208.8906216889 -1974.4490656 1-A 18692.5414 134 468 602 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.25093 -20.65368 -20.58723 -20.58521 -20.56102 -20.52138 -15.60535 -15.58728 -15.53210 -11.34898 -11.31212 -11.29235 -11.27645 -11.27494 -11.27309 -11.26572 -11.25309 -11.24431 -11.24400 -11.24310 -11.24222 -11.24097 -11.23878 -11.23862 -11.23711 -11.23380 -11.23121 -11.23025 -11.22919 -11.22201 -11.22124 -11.22049 -11.21773 -11.21617 -11.21157 -11.20745 -9.22186 -6.90842 -6.90768 -6.90638 -1.54462 -1.42850 -1.38975 -1.38468 -1.37137 -1.30656 -1.24558 -1.20816 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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|A|A|A|A|A|A| 14.4685 24.3243 35.3793 38.0835 42.4349 43.6344 45.8518 52.2371 67.7686 76.5866 88.4955 90.4071 98.8368 109.3997 128.0642 168.2124 180.0848 188.0057 206.9354 208.7688 215.6934 230.6097 233.1348 239.0999 268.9730 275.0284 296.9577 303.1034 307.4793 312.6651 341.6955 354.3885 360.2734 365.8629 391.0217 442.1706 448.6641 460.0693 463.2325 470.2650 478.9042 494.5893 517.6137 532.6827 537.7206 541.9372 545.5251 559.3614 573.4024 599.3245 629.2100 640.5774 641.4933 653.9362 663.6911 676.0947 701.9694 706.0265 712.5081 741.8185 752.5876 766.9245 780.3686 804.6409 806.6363 815.9021 831.6237 847.4532 852.4297 893.5017 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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 1.00783 13270.6605 22741.0928 31234.6488 0.99976 0.02019 -0.00854 -0.02019 0.99980 0.00014 0.00854 0.00003 0.99996 1 0.00653 0.00381 0.00277 0.13599 0.07936 0.05778 20.82 35.00 50.90 54.79 61.05 62.78 65.97 75.16 97.50 110.19 127.33 130.08 142.20 157.40 184.26 242.02 259.10 270.50 297.73 300.37 310.33 331.80 335.43 344.01 386.99 395.70 427.26 436.10 442.39 449.86 491.62 509.89 518.35 526.40 562.59 636.18 645.53 661.94 666.49 676.61 689.04 711.60 744.73 766.41 773.66 779.73 784.89 804.80 825.00 862.29 905.29 921.65 922.97 940.87 954.90 972.75 1009.98 1015.81 1025.14 1067.31 1082.81 1103.43 1122.78 1157.70 1160.57 1173.90 1196.52 1219.30 1226.46 1285.55 1292.13 1303.60 1318.25 1336.59 1377.43 1383.85 1391.89 1407.27 1415.87 1426.41 1447.15 1472.96 1474.47 1488.19 1507.82 1529.26 1535.64 1560.99 1569.62 1572.67 1598.70 1604.82 1606.95 1613.88 1620.63 1629.09 1633.58 1654.20 1666.94 1703.58 1706.58 1726.79 1740.52 1746.28 1751.42 1773.31 1777.65 1792.76 1798.55 1813.69 1853.03 1857.69 1873.00 1874.75 1911.86 1926.37 1932.24 1933.97 1949.84 1974.17 1989.22 2000.61 2033.32 2053.91 2056.76 2067.54 2093.68 2097.01 2118.61 2120.89 2148.05 2166.45 2206.22 2209.45 2234.53 2239.75 2258.01 2281.04 2291.09 2295.89 2299.69 2309.70 2317.38 2343.96 2361.99 2367.07 2389.89 2398.84 2402.10 2404.87 2406.98 2513.06 2515.21 2562.25 2567.73 2581.21 2604.14 2612.82 2627.28 2796.74 4449.55 4560.68 4594.63 4604.26 4654.46 4682.18 4687.84 4703.56 4713.55 4740.82 4830.58 4831.58 4835.58 4838.58 4844.55 4854.29 4856.04 4868.40 4885.88 4890.97 4897.66 4905.21 4906.33 4940.81 4998.69 5470.34 5538.50 5600.06 5870.18 0.566809 0.597647 0.598591 0.502126 -1973.882257 -1973.851419 -1973.850475 -1973.946940 3.235452D-04 MUNgauss RevisionA2.0 retrievium 26-Jul-2020 DUDE C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c4cccc(NC(=O)c3ccccc3)c4 305638 CHEMBL182708 RHF 6-31G(d) (6D,10F) C1 507.182793 |X|Y|Z| 106.004657 77.118605 38.836639 68.219508 28 6 7 25 3 |36.858105| |12.459842|36.858105| |8.931863|17.488675|0.500000| |7.568874|12.367688|0.247572|36.858105| |4.900446|7.434852|0.188561|12.667566|36.858105| |3.967432|5.489300|0.159951|7.459187|14.102003|36.858105| |3.179567|4.171906|0.119429|5.143134|8.481090|13.863242|53.358707| |2.792556|3.531946|0.103405|4.135140|5.961646|8.998679|26.063521|0.500000| |3.166185|4.159771|0.112494|5.080278|8.339601|8.594009|19.027165|0.252094|36.858105| |2.650404|3.309694|0.089239|3.801400|5.278329|5.310173|10.327740|0.184489|13.694417|36.858105| |2.269186|2.751574|0.076127|3.083782|4.051024|4.396163|8.599078|0.182805|7.846151|13.578896|73.516695| |2.157549|2.607677|0.074316|2.798834|3.564704|3.997041|7.472496|0.174286|5.821716|7.357575|21.391238|388.023441| 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|1.702481|1.959024|0.057865|1.974951|2.277293|2.536435|3.967609|0.091210|2.773729|2.904019|5.988505|33.164423|4.671566|9.035515|8.322942|2.550494|2.228456|2.165962|2.376592|2.748200|2.282898|2.227065|0.061443|3.421583|2.484658|2.269285|2.401888|2.872638|3.361581|6.039711|5.001334|7.190225|7.912665|6.875503|7.935154|13.750760|36.858105| |1.863921|2.171264|0.064458|2.151841|2.489530|2.741939|4.269518|0.096224|3.030876|3.157494|6.302515|35.507970|4.492886|9.210684|10.083895|2.785367|2.447660|2.385888|2.614930|3.098959|2.649149|2.607094|0.071275|3.928626|3.005093|2.713844|2.909566|3.623027|4.439826|8.854244|7.487604|9.518985|13.716505|7.938479|6.873374|7.933559|13.732194|36.858105| |2.853411|3.504077|0.101265|3.133759|3.509575|3.372846|4.794701|0.093011|3.835689|3.775133|6.038363|26.728747|2.961799|6.125907|8.873986|3.700385|3.682603|3.746847|3.832687|5.867486|6.170810|7.532680|0.186437|9.087668|13.701268|7.972451|6.945144|7.922400|13.685466|10.857666|5.159343|7.909345|3.989495|3.179070|2.675783|2.627856|3.027620|3.831286|36.858105| |17.555687|8.763737|0.212351|6.964084|4.577374|3.891170|4.184390|0.075843|2.970761|2.481993|3.838980|14.618895|1.733155|3.782393|3.734396|2.382824|2.665454|3.293133|3.583677|7.616005|4.266417|3.330756|0.087719|5.918263|2.739598|2.436797|2.116004|2.019915|2.180193|2.754900|1.786249|2.970339|1.689871|1.505368|1.420816|1.476054|1.647500|1.784359|2.541797|0.500000| |17.525909|8.796940|0.173845|6.808875|4.535516|3.595585|4.041304|0.072308|3.046272|2.597227|3.926552|14.702095|1.748573|3.692124|3.813820|2.590674|3.031004|3.818925|3.846655|9.568383|4.698692|3.847250|0.103972|7.167085|2.987397|2.646084|2.239974|2.099657|2.256500|2.800858|1.800768|3.004176|1.684018|1.504597|1.410566|1.450600|1.607737|1.752498|2.679641|0.301488|0.500000| |17.540797|8.785111|0.214710|5.491026|4.041998|3.428920|3.868125|0.070701|2.830456|2.425188|3.746520|14.508474|1.719738|3.690716|3.816891|2.374319|2.679685|3.257825|3.401807|9.497826|5.296953|4.115461|0.103121|7.789971|3.266418|2.937771|2.473404|2.291323|2.434120|2.978242|1.913099|3.209267|1.768905|1.569123|1.460996|1.499162|1.669183|1.837047|2.879881|0.301416|0.300897|0.500000| |7.035863|8.874748|0.174831|17.532698|8.951834|5.696659|5.992885|0.100086|4.640229|3.647486|5.219943|18.535392|2.139561|4.653538|4.663222|3.547349|4.269175|6.135742|6.738562|9.418304|4.776771|3.827243|0.111562|6.291275|3.018945|2.546802|2.194887|2.138868|2.395763|3.069370|1.950852|3.177770|1.862405|1.652065|1.561541|1.629483|1.827808|1.979790|2.884390|0.176279|0.208025|0.141973|0.500000| |7.010750|8.862591|0.216966|17.519101|8.971945|7.008313|6.440744|0.109648|4.362036|3.340504|5.013516|18.411116|2.114628|4.846189|4.543574|3.059038|3.387539|4.438544|5.508702|7.628127|4.393627|3.361185|0.093095|5.461249|2.799227|2.387126|2.101234|2.076884|2.330132|3.037848|1.949024|3.164822|1.883862|1.663612|1.583871|1.673682|1.896581|2.039591|2.746886|0.212908|0.169597|0.143063|0.303631|0.500000| |3.862100|5.070269|0.157215|6.452266|8.695470|17.782500|12.222873|0.211859|5.911389|4.184529|6.602651|25.129330|2.725577|7.278652|5.872517|3.405487|3.383329|4.092423|5.794847|5.652389|4.023572|3.145540|0.086868|4.793107|2.851132|2.392603|2.183327|2.262634|2.637725|3.628388|2.323133|3.660509|2.323016|2.008704|1.933443|2.108325|2.478638|2.645253|3.042046|0.109747|0.095035|0.093712|0.137038|0.193133|0.500000| |1.748614|2.027866|0.057205|2.195815|2.655871|2.933430|5.059559|0.116799|3.811391|4.634396|12.501195|57.844803|17.641867|11.996995|9.645207|3.894929|3.038184|2.761186|2.996619|2.841060|2.217405|2.169013|0.063710|3.335632|2.236329|1.974602|1.960835|2.188370|2.568989|4.060876|2.851707|4.349009|3.292219|3.080832|3.240511|3.715190|4.088778|3.791704|2.603232|0.047040|0.047158|0.046036|0.058251|0.058020|0.075319|0.500000| |1.718136|1.992882|0.056905|2.091002|2.490918|2.731049|4.571890|0.104769|3.421343|4.025424|9.724699|58.450655|17.621523|11.826566|11.668260|3.493387|2.809360|2.575379|2.773183|2.831426|2.277621|2.262172|0.065503|3.454451|2.423741|2.156928|2.196434|2.530806|3.006016|5.046596|3.681096|5.442553|4.592810|4.308627|4.610748|5.418315|5.984970|5.386748|2.910564|0.045925|0.046006|0.045862|0.054975|0.054975|0.070816|0.297776|0.500000| |1.760507|2.044292|0.057133|2.170298|2.600808|2.755746|4.647569|0.101577|3.750408|4.864258|12.313080|57.851485|17.647152|9.657724|12.043495|4.450673|3.369585|2.922239|3.033356|2.953187|2.339260|2.372469|0.070754|3.621841|2.493201|2.199711|2.198854|2.480954|2.938154|4.684705|3.263702|4.942785|3.683519|3.463238|3.480838|3.710628|3.967513|3.955743|2.944036|0.046682|0.047787|0.046679|0.058114|0.056251|0.069488|0.297099|0.297872|0.500000| |2.267268|2.690654|0.071132|2.948180|3.614931|3.424231|5.630144|0.106714|5.670794|9.025594|13.068349|36.777081|4.456397|6.952530|9.383390|17.739291|8.820485|5.619596|4.941510|4.079733|3.077102|3.212156|0.105084|4.830155|3.080778|2.594359|2.410694|2.549826|3.016191|4.218980|2.679845|4.198930|2.646881|2.387166|2.251109|2.309388|2.534274|2.740317|3.409639|0.058503|0.063419|0.058716|0.082588|0.072490|0.080399|0.113717|0.101737|0.140168|0.500000| |2.740787|3.225864|0.080562|3.515187|4.033153|3.412478|5.005206|0.089562|4.964570|5.669728|7.482872|24.137039|2.889586|5.162416|6.425072|8.902749|17.730504|8.953506|5.648741|5.162054|3.612367|3.893609|0.137608|6.048110|3.367670|2.819931|2.483985|2.482497|2.837767|3.680018|2.312994|3.734702|2.191178|1.974545|1.840412|1.866446|2.041390|2.233547|3.382540|0.068678|0.079722|0.070094|0.104989|0.082823|0.079587|0.075760|0.070905|0.085556|0.214004|0.500000| |4.177414|5.231601|0.118396|6.052381|6.474798|4.574006|5.907267|0.099122|5.613135|4.931276|6.431461|21.748574|2.493754|5.042350|5.695220|5.617381|8.938861|17.755174|8.867466|8.632771|5.036213|4.793147|0.164846|7.472964|3.654933|2.977327|2.521330|2.457929|2.801966|3.541278|2.202496|3.563866|2.071465|1.836561|1.712963|1.760031|1.959794|2.154630|3.484951|0.100307|0.125081|0.100589|0.199160|0.127549|0.103338|0.066383|0.062719|0.070083|0.123642|0.215145|0.500000| |7.898360|9.309789|0.192473|5.993972|4.880223|3.810063|4.492643|0.079871|3.558190|3.076741|4.540019|17.291262|2.007072|4.226024|4.706762|3.133963|3.754486|4.757630|4.570933|25.961506|9.474280|7.461672|0.188877|14.257209|4.751111|3.949124|3.096258|2.817404|3.066875|3.618829|2.242758|3.720999|2.029829|1.781147|1.633424|1.660312|1.853878|2.080764|3.904620|0.151937|0.217904|0.216773|0.164104|0.131139|0.095710|0.052852|0.052858|0.055296|0.075898|0.098368|0.156138|0.500000| |4.622156|6.968343|0.207088|5.679439|6.451688|5.596786|6.904642|0.121254|5.360865|4.371034|6.361069|25.575930|2.718787|6.323181|7.316063|4.048542|4.377600|5.367682|6.246432|12.525480|17.624074|8.842093|0.212776|10.169353|6.881673|4.709159|3.818728|3.798687|4.697164|5.568860|3.190844|5.008637|2.857315|2.376750|2.142118|2.209427|2.575400|3.020591|6.839200|0.109337|0.113852|0.123019|0.131884|0.126861|0.132986|0.069715|0.071680|0.073050|0.094787|0.104558|0.140713|0.182928|0.500000| |5.234538|6.917224|0.218290|4.745971|4.536230|4.038385|4.859879|0.089472|3.623647|3.125032|4.796377|19.550040|2.209523|4.902930|5.506234|3.001986|3.275004|3.865006|4.155499|12.192081|17.369912|8.881450|0.174658|12.615828|6.886696|5.311508|4.110612|3.790661|4.247979|4.807597|2.876699|4.714061|2.528034|2.144116|1.928878|1.963107|2.242729|2.604886|5.660608|0.119546|0.123294|0.157029|0.113818|0.112787|0.104968|0.057201|0.059456|0.059729|0.073560|0.083117|0.109629|0.214105|0.302950|0.500000| |4.088392|4.440317|0.118823|3.413069|3.208965|2.816533|3.573943|0.066802|2.803320|2.597463|4.026663|16.148957|1.917168|3.890827|4.597317|2.670099|3.003148|3.344467|3.206713|8.304004|7.372464|9.826737|0.190053|35.696182|7.261279|7.096467|4.752326|3.822243|3.843145|4.158832|2.567271|4.394768|2.209061|1.935629|1.730233|1.715065|1.894673|2.176358|4.831152|0.093307|0.108893|0.127739|0.091109|0.082447|0.072805|0.049543|0.051652|0.053281|0.067770|0.081419|0.099793|0.198792|0.148210|0.214907|0.500000| |2.818983|3.096522|0.085918|2.606936|2.606690|2.396895|3.193151|0.061370|2.513882|2.443575|3.916129|16.217047|1.966634|3.831136|4.773127|2.531085|2.721251|2.828201|2.708087|5.285009|4.859715|6.926776|0.153915|14.020909|8.892211|17.761743|8.945493|5.637444|4.941807|4.926999|3.054709|5.421855|2.498168|2.195796|1.912003|1.846616|2.013711|2.355822|5.654304|0.068319|0.075632|0.084418|0.069653|0.064567|0.062194|0.050014|0.053806|0.055242|0.066452|0.074848|0.080483|0.113337|0.116218|0.138909|0.241369|0.500000| |2.155186|2.361437|0.067425|2.082457|2.143834|2.061289|2.824917|0.055994|2.179101|2.173520|3.645062|15.716636|1.964117|3.718883|4.673718|2.210131|2.256175|2.267808|2.229278|3.741064|3.353617|4.081046|0.100271|7.092783|5.651917|8.942147|17.707603|8.983119|5.669647|5.656508|3.758393|7.286890|2.899618|2.581104|2.178280|2.038017|2.182695|2.589800|4.988614|0.054292|0.057387|0.063427|0.055199|0.052987|0.054355|0.049460|0.055170|0.055134|0.059638|0.061731|0.062433|0.076782|0.088517|0.097241|0.117160|0.216564|0.500000| |1.981513|2.231756|0.064834|2.037238|2.182363|2.173312|3.082788|0.062695|2.352114|2.395951|4.169075|18.988137|2.385747|4.465962|5.853796|2.372119|2.306758|2.271559|2.294730|3.436910|3.102364|3.530395|0.090530|5.570785|4.922699|5.631255|8.924699|17.845182|8.896793|9.511418|6.896720|15.373725|4.480224|3.835250|3.007178|2.718395|2.919627|3.660419|5.642496|0.050788|0.052313|0.056856|0.053304|0.052210|0.057363|0.058699|0.068915|0.066447|0.064783|0.061805|0.060394|0.067675|0.088230|0.088074|0.088461|0.124323|0.216403|0.500000| |2.260180|2.719306|0.079685|2.625180|3.080164|3.221739|4.997175|0.104970|3.839583|4.052430|7.365584|39.041718|4.225807|8.635982|15.278559|3.692643|3.276882|3.162838|3.389364|4.125268|3.763964|3.910443|0.107418|5.487151|4.910434|4.084332|4.301785|5.741832|9.326911|26.001349|9.465780|10.887731|7.605978|5.066504|4.024543|3.978253|4.893047|7.292070|7.644884|0.058301|0.059170|0.062008|0.067079|0.066401|0.082101|0.096781|0.121855|0.112595|0.098775|0.082230|0.078339|0.075972|0.122625|0.098991|0.082560|0.092547|0.098314|0.143222|0.500000| |1.516022|1.703795|0.049322|1.662643|1.844347|1.927185|2.885660|0.061850|2.154468|2.305487|4.436077|21.774035|3.145863|5.099028|6.289955|2.207535|1.998739|1.899092|1.962611|2.484413|2.086291|2.185631|0.060146|3.446990|2.573535|2.516415|2.877958|3.613105|3.805988|6.675224|7.229902|13.330869|8.950833|17.750470|8.901353|5.641454|4.956222|5.658632|3.069967|0.040086|0.040355|0.042114|0.043728|0.043670|0.051415|0.075624|0.100958|0.086551|0.062901|0.053007|0.048961|0.047956|0.062393|0.057235|0.053148|0.061646|0.074849|0.113569|0.125323|0.500000| |1.364769|1.523841|0.044087|1.518970|1.691210|1.799025|2.718419|0.059466|1.990615|2.133292|4.250465|20.835696|3.268799|5.051731|5.481709|2.007285|1.794913|1.707447|1.785279|2.170869|1.774680|1.807867|0.050208|2.877727|2.033005|1.954722|2.137106|2.526470|2.710364|4.541919|4.132949|6.994938|5.637330|8.931058|17.718105|8.903471|5.643409|4.952257|2.364990|0.036566|0.036391|0.037570|0.040024|0.040456|0.048554|0.081316|0.110331|0.087300|0.057459|0.047397|0.043871|0.041783|0.053326|0.048559|0.044307|0.049022|0.056010|0.075367|0.092704|0.214522|0.500000| |1.433985|1.613554|0.047054|1.636853|1.849895|2.026936|3.114441|0.070372|2.207704|2.338531|4.816911|24.363997|3.894821|6.356401|5.900743|2.117581|1.867227|1.797251|1.930244|2.252140|1.824286|1.800899|0.050066|2.841376|1.975412|1.850084|1.961856|2.279751|2.533120|4.241440|3.554715|5.634457|4.940391|5.646204|8.904699|17.709162|8.913203|5.642375|2.306351|0.038799|0.038006|0.039092|0.042744|0.044053|0.055356|0.100542|0.138179|0.095976|0.059710|0.048418|0.045720|0.042825|0.055756|0.049826|0.043719|0.046544|0.050773|0.065505|0.091379|0.124012|0.214654|0.500000| |1.730503|1.994677|0.059181|2.035561|2.362966|2.690560|4.239753|0.100129|2.876060|2.960281|6.173692|33.931624|4.687989|10.209964|7.882763|2.544702|2.221067|2.181753|2.434667|2.753961|2.261385|2.162670|0.059711|3.328183|2.361252|2.139248|2.223915|2.600555|3.039077|5.228002|4.075496|6.007726|5.639966|4.953700|5.639273|8.897158|17.719845|8.929498|2.836319|0.046871|0.045254|0.046847|0.052059|0.054798|0.073957|0.119515|0.161460|0.106741|0.069458|0.056075|0.054692|0.051337|0.071288|0.061710|0.051214|0.053172|0.056219|0.072309|0.119282|0.107589|0.123971|0.214371|0.500000| |2.070423|2.453987|0.073834|2.423833|2.843035|3.183771|4.976199|0.113042|3.454787|3.491066|6.820370|38.767009|4.379971|10.671137|11.169903|3.003240|2.651551|2.633155|2.954521|3.489958|3.033865|2.911619|0.078846|4.303255|3.347974|2.939054|3.085169|3.815249|4.888783|9.622509|6.860936|8.740615|8.882142|5.638573|4.954400|5.656481|8.953920|17.742062|4.374969|0.054952|0.053562|0.056538|0.061057|0.063604|0.085292|0.104072|0.136889|0.106124|0.080036|0.066204|0.065663|0.064196|0.098586|0.082974|0.066302|0.070312|0.075002|0.103175|0.236073|0.124228|0.107550|0.124380|0.216890|0.500000| 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