Version2.1 2020-12-26T19:25:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[NH+]1CCc2c(sc(c2C(=O)OC)NC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cccs4)C1 C10774901 RHF 6-31G(d) (6D,7F) CCC[NH+]1CCc2c(sc(c2C(=O)OC)NC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cccs4)C1 C01[X(C22H30N3O5S3)] 183 C1 567 CCC[NH+]1CCc2c(C1)sc(c2C(=O)OC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 CCC[NH+]1CCc2c(C1)sc(c2C(=O)OC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 CCC[NH+]1CCc2c(C1)sc(NC(=O)[C@@H]3CCCCN3[S](=O)(=O)c4sccc4)c2C(=O)OC InChIKey=FXSOIEYGUJSCFK-INIZCTEOSA-O InChI=1S/C22H29N3O5S3/c1-3-10-24-12-9-15-17(14-24)32-21(19(15)22(27)30-2)23-20(26)16-7-4-5-11-25(16)33(28,29)18-8-6-13-31-18/h6,8,13,16H,3-5,7,9-12,14H2,1-2H3,(H,23,26)/p+1/t16-/m0/s1 InChI=1/C22H29N3O5S3/c1-3-10-24-12-9-15-17(14-24)32-21(19(15)22(27)30-2)23-20(26)16-7-4-5-11-25(16)33(28,29)18-8-6-13-31-18/h6,8,13,16H,3-5,7,9-12,14H2,1-2H3,(H,23,26)/p+1/t16-/m0/s1/fC22H30N3O5S3/h23-24H/q+1 CCC[NH+]1CCc2c(sc(c2C(=O)OC)NC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cccs4)C1 C01[X(C22H30N3O5S3)] 183 C01 567 CCC[NH+]1CCc2c(C1)sc(c2C(=O)OC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 CCC[NH]1CC[C]2=C(C1)S[C]([C]2C(=O)OC)NC(=O)[C@@H]1CCCCN1[S@]([O])(=O)C1=[CH][CH]=[CH]S1 CCC[NH]1CCC2=C(C1)S[C](NC(=O)[C@@H]3CCCCN3[S]([O])(=O)c4sccc4)[C]2C(=O)OC InChIKey=RIFXASFCWSISGQ-INIZCTEOSA-N InChI=1S/C22H30N3O5S3/c1-3-10-24-12-9-15-17(14-24)32-21(19(15)22(27)30-2)23-20(26)16-7-4-5-11-25(16)33(28,29)18-8-6-13-31-18/h6,8,13,16,24H,3-5,7,9-12,14H2,1-2H3,(H,23,26)/t16-/m0/s1 InChI=1/C22H30N3O5S3/c1-3-10-24-12-9-15-17(14-24)32-21(19(15)22(27)30-2)23-20(26)16-7-4-5-11-25(16)33(28,29)18-8-6-13-31-18/h6,8,13,16,24H,3-5,7,9-12,14H2,1-2H3,(H,23,26)/t16-/m0/s1/f/h23H 4206.3956762463 -2580.5032117 1-A 22814.3627 135 432 567 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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| 13.2441 16.4040 23.9905 35.9795 42.7462 47.8859 59.0625 61.0551 67.4761 72.8093 86.4466 97.8064 116.4464 132.9223 154.1075 158.7121 160.2204 170.5050 174.0502 186.0878 191.9167 223.4493 242.8292 248.6470 255.0913 258.4679 269.0025 284.7436 298.8059 312.8334 317.3852 341.1136 345.8355 355.3924 355.5385 379.3095 385.9331 398.1996 406.6344 417.6525 443.2996 488.8827 505.6109 513.4758 532.2371 552.3193 561.4526 597.1847 604.5658 619.0999 635.4433 651.5777 670.2823 686.1391 706.5625 738.4267 757.2097 790.4007 807.9997 810.6270 811.2113 831.4628 833.9186 856.1837 876.5338 880.9815 887.2104 910.0113 927.1630 930.6595 937.4029 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0.00228 0.16815 0.05545 0.04753 19.06 23.60 34.52 51.77 61.50 68.90 84.98 87.84 97.08 104.76 124.38 140.72 167.54 191.25 221.73 228.35 230.52 245.32 250.42 267.74 276.13 321.49 349.38 357.75 367.02 371.88 387.03 409.68 429.91 450.10 456.65 490.79 497.58 511.33 511.54 545.74 555.27 572.92 585.06 600.91 637.81 703.39 727.46 738.78 765.77 794.66 807.81 859.22 869.84 890.75 914.26 937.47 964.39 987.20 1016.59 1062.43 1089.46 1137.21 1162.53 1166.31 1167.15 1196.29 1199.82 1231.86 1261.14 1267.54 1276.50 1309.30 1333.98 1339.01 1348.71 1396.97 1402.56 1411.57 1463.60 1471.74 1484.87 1501.59 1525.16 1532.79 1542.85 1549.06 1560.37 1599.54 1612.55 1615.53 1641.68 1656.32 1663.85 1671.91 1675.02 1693.50 1740.41 1754.97 1772.95 1787.56 1791.07 1819.10 1824.09 1846.06 1862.61 1866.21 1885.93 1899.29 1923.75 1961.07 1975.05 1987.87 1995.85 2014.12 2037.24 2054.05 2075.98 2082.92 2098.04 2107.70 2110.12 2111.56 2166.40 2173.11 2176.83 2189.86 2203.82 2206.01 2215.27 2249.32 2254.35 2256.66 2259.95 2263.11 2283.47 2284.81 2294.13 2299.56 2335.53 2343.88 2351.25 2353.89 2354.83 2358.89 2359.03 2363.44 2368.32 2369.58 2369.93 2381.99 2389.35 2394.87 2491.59 2506.56 2575.99 2808.44 2858.80 4606.00 4609.48 4617.52 4630.04 4634.55 4638.78 4647.93 4657.87 4671.52 4684.33 4687.93 4696.77 4699.98 4702.89 4722.01 4723.25 4727.83 4750.25 4753.73 4753.96 4760.05 4787.21 4823.65 4829.89 4840.54 4911.29 4943.12 4953.98 5300.40 5466.53 0.557865 0.588527 0.589472 0.492369 -2579.945347 -2579.914684 -2579.913740 -2580.010843 3.256851D-04 MUNgauss RevisionA2.0 retrievium 26-Dec-2020 DUDE CCC[NH+]1CCc2c(sc(c2C(=O)OC)NC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cccs4)C1 C10774901 RHF 6-31G(d) (6D,10F) C1 512.134762 |X|Y|Z| 128.811071 67.741314 40.409376 70.647422 23 6 7 16 17 3 3 |36.858105| |12.447011|36.858105| |7.575334|12.487827|36.858105| |4.922879|7.543661|12.655800|53.358707| |4.735519|7.387975|9.288044|25.684760|0.500000| |4.164771|5.936777|7.573560|17.234427|0.258507|36.858105| |3.223649|4.290107|4.953439|10.384203|0.204651|12.499735|36.858105| |2.867037|3.659709|4.423814|9.199287|0.183795|7.620219|12.631293|36.858105| |3.045986|3.853492|5.021077|10.629054|0.200564|6.869823|7.677935|14.202337|36.858105| |2.469884|2.937533|3.607851|6.386650|0.127661|4.226637|4.727249|7.370243|10.948945|388.023441| |2.204852|2.625046|3.058781|5.398837|0.111084|3.974255|5.028050|8.154036|7.737083|78.155343|36.858105| |2.363820|2.885509|3.324633|6.120379|0.126634|4.895952|7.209444|13.175114|8.234746|52.296990|13.852134|36.858105| |2.112612|2.534702|2.790926|4.860589|0.101771|4.047667|5.883826|7.295275|5.111155|33.862346|7.683398|12.949653|36.858105| |1.870572|2.194249|2.391098|4.008894|0.083868|3.233305|4.296518|5.152036|4.080962|29.683630|6.670451|8.078201|15.908890|73.516695| |2.208597|2.675589|2.870972|4.971244|0.104480|4.403793|6.749992|6.635206|4.552096|27.622170|5.277012|8.154783|14.438628|15.338054|73.516695| |1.954753|2.308798|2.410078|3.968932|0.083456|3.434575|4.653409|4.433055|3.395108|21.681520|3.956280|5.205968|8.135493|12.908179|23.733556|36.858105| |1.908878|2.216192|2.514643|4.211018|0.087114|3.107917|3.781502|5.221161|5.009789|49.867727|13.984458|7.831652|6.504644|12.467890|8.002482|3.684877|53.358707| |1.780503|2.028486|2.295394|3.718831|0.076823|2.661758|3.068859|4.015645|4.158729|43.870703|7.867306|5.150212|4.435216|8.490188|6.051143|2.926758|18.876769|36.858105| |1.845584|2.090199|2.398682|3.846783|0.078894|2.669833|2.973261|3.887523|4.325543|50.076400|6.851844|4.585781|3.770057|6.831164|5.376597|2.589594|11.555698|15.971363|73.516695| |1.562791|1.754959|1.944175|3.071296|0.063581|2.230817|2.548026|3.136693|3.145549|29.364153|5.084390|3.917316|3.741350|7.624601|5.290078|2.698716|10.618776|12.462575|14.104457|36.858105| |1.535560|1.730568|1.898205|3.010430|0.062612|2.226025|2.589304|3.142711|3.033428|26.842447|4.958576|4.036951|4.113691|8.936732|5.744221|2.991341|10.423872|8.840074|10.409131|17.517344|0.500000| |1.474888|1.637583|1.822531|2.834075|0.057633|2.074938|2.320414|2.800454|2.838885|25.927708|4.208024|3.369436|3.219066|6.426716|4.692395|2.422220|7.803741|7.800345|11.413007|12.359089|0.244974|36.858105| |1.320545|1.450532|1.591599|2.433346|0.049641|1.786251|1.975937|2.306010|2.317773|20.127398|3.186441|2.702766|2.667112|5.342215|4.022914|2.140493|5.509870|4.970701|7.787538|7.451052|0.183268|12.501900|36.858105| |1.281716|1.400651|1.527462|2.315955|0.047631|1.674413|1.834499|2.127628|2.165975|18.820273|2.878245|2.446967|2.388985|4.701802|3.652265|1.944218|4.840915|4.481891|7.406076|6.459807|0.153129|7.682912|12.504607|36.858105| |1.332819|1.466029|1.589849|2.429098|0.050591|1.747000|1.935002|2.255661|2.281407|19.881751|3.102851|2.626268|2.578420|5.119822|3.910906|2.080047|5.317713|4.980222|7.927799|7.598798|0.183864|6.567783|7.637477|12.537081|36.858105| |1.486631|1.654030|1.812037|2.815251|0.058880|2.008660|2.250918|2.703383|2.757110|25.164228|4.000719|3.219245|3.072950|6.079645|4.526704|2.344469|7.255842|7.696778|11.559085|12.968385|0.250703|7.699858|6.560058|7.683392|12.870770|53.358707| |1.542904|1.725478|1.866735|2.908278|0.062112|2.050291|2.309367|2.751550|2.789607|24.746332|3.912766|3.242720|3.107903|6.049750|4.636580|2.402073|6.645994|6.130989|9.637128|7.166381|0.180880|4.746566|4.224708|4.799237|7.292956|15.623971|388.023441| |1.422321|1.581349|1.684051|2.596898|0.055582|1.854907|2.089419|2.413897|2.391878|20.118960|3.220046|2.821138|2.828319|5.601560|4.326273|2.315183|5.305566|4.445544|6.957414|5.401778|0.154283|3.956416|3.837215|4.394070|6.746631|10.197351|94.766841|73.516695| |1.732260|1.971833|2.148377|3.432967|0.074243|2.406845|2.772538|3.412232|3.439687|31.177209|5.163373|4.140977|3.853440|7.368005|5.577638|2.796955|8.755790|7.500967|11.296298|6.904325|0.181021|4.474964|3.707362|3.849223|5.054176|10.481949|94.491168|13.735579|73.516695| |1.513915|1.670619|1.804133|2.751572|0.058738|1.896878|2.072507|2.430923|2.547646|22.457942|3.229872|2.718582|2.536920|4.745894|3.908835|2.021907|5.050422|4.611482|8.388394|4.857913|0.118064|3.808802|3.513905|4.218370|5.723629|9.703563|77.565340|13.246026|12.953927|36.858105| |1.407726|1.538407|1.638739|2.462494|0.052679|1.701595|1.842121|2.107834|2.190321|18.525922|2.655225|2.317171|2.202746|4.110909|3.471694|1.825762|4.042613|3.492483|6.288544|3.728145|0.095066|3.097540|3.001357|3.632934|4.748265|6.909138|49.544556|11.609026|9.140832|14.105565|36.858105| |1.389542|1.502884|1.599480|2.368311|0.050509|1.618787|1.721772|1.952983|2.060752|17.272741|2.383337|2.095701|1.968023|3.611431|3.142282|1.647878|3.521868|3.010015|5.632577|3.096500|0.078380|2.701113|2.617596|3.127008|3.755073|5.381192|34.012308|7.802993|7.071253|8.259378|13.325697|36.858105| |1.476118|1.595652|1.718018|2.540680|0.053930|1.715460|1.808820|2.073393|2.234622|19.133659|2.545609|2.202635|2.022853|3.668624|3.215364|1.663828|3.715933|3.234890|6.340863|3.199533|0.078847|2.827127|2.665284|3.137990|3.628316|5.435330|32.495005|6.887641|7.129025|7.797345|8.269759|14.132235|36.858105| |1.607184|1.763718|1.933472|2.923377|0.061880|1.971088|2.106080|2.491591|2.719409|24.733130|3.263654|2.699628|2.422840|4.401760|3.754299|1.908534|4.874543|4.526371|9.347987|4.294861|0.100593|3.631140|3.234279|3.758386|4.439092|7.491534|44.132305|8.064008|9.863505|10.999630|7.404280|7.418592|11.082491|388.023441| |3.833938|4.986689|7.654199|17.298640|0.260465|7.760239|6.365694|7.539906|12.729244|48.085439|4.848383|5.065881|3.730098|5.536790|6.329817|2.817050|4.947982|3.242659|6.165121|2.578547|0.068728|2.386567|2.005103|1.902320|1.984762|3.183184|16.906833|3.682065|5.027445|2.257231|1.982456|1.908294|2.081971|17.485657|36.858105| |17.563659|8.758462|6.864742|6.219889|0.123416|3.703531|2.954958|2.731827|2.979388|17.619426|2.168773|2.278610|2.020111|3.205722|3.692884|1.838794|2.568882|1.782450|3.319124|1.562469|0.042357|1.475358|1.321580|1.290358|1.341587|2.037607|11.063882|2.539390|3.094848|1.544786|1.438385|1.431006|1.529433|11.790150|3.791877|0.500000| |17.597476|8.832475|5.514015|5.551332|0.113291|3.621867|2.928922|2.590356|2.690760|15.811555|2.027058|2.179317|1.984588|3.145283|3.718569|1.879377|2.416932|1.658328|3.034859|1.470542|0.040331|1.385356|1.249169|1.215824|1.267434|1.913499|10.428566|2.423843|2.913652|1.439265|1.348013|1.330565|1.403773|10.772565|3.240197|0.302163|0.500000| |17.562142|8.761877|6.849768|6.176354|0.115677|4.055503|3.098950|2.747494|2.908290|16.846289|2.121699|2.274359|2.041380|3.221744|3.799098|1.899690|2.509076|1.719813|3.167080|1.514679|0.041342|1.443448|1.294305|1.250290|1.290845|1.951473|10.471917|2.415753|2.921748|1.441105|1.339125|1.321276|1.403913|10.882350|3.642562|0.301034|0.302179|0.500000| |8.868842|17.569927|8.808772|9.273684|0.184318|6.475088|4.611715|3.685384|3.681931|19.828759|2.581185|2.909759|2.613551|3.995477|5.040139|2.461155|2.973593|1.975914|3.570427|1.721836|0.047589|1.608751|1.428912|1.371800|1.434790|2.194948|11.932356|2.754709|3.405814|1.605871|1.480892|1.436820|1.514060|11.902344|4.486792|0.173049|0.214439|0.210978|0.500000| |8.851174|17.521962|8.876235|9.456063|0.222135|5.289787|4.182019|3.654430|3.836868|21.152939|2.670526|2.922592|2.572175|3.968699|4.804964|2.334853|3.077588|2.074345|3.795894|1.794283|0.049190|1.654570|1.466850|1.426034|1.506168|2.320947|12.835761|2.943171|3.690680|1.753667|1.618779|1.581349|1.675277|13.124412|4.787039|0.211000|0.213609|0.172839|0.302789|0.500000| |6.949012|8.851237|17.618305|12.413615|0.213598|5.615428|4.157308|4.015941|4.814884|26.126160|2.989382|3.125090|2.603295|4.030015|4.645492|2.211264|3.378729|2.313669|4.378033|1.953160|0.052411|1.832313|1.599997|1.548023|1.610787|2.502936|13.492534|3.021918|3.866558|1.863903|1.692739|1.668268|1.809473|14.451923|7.569756|0.206782|0.141761|0.170420|0.173274|0.212424|0.500000| |6.810069|8.755015|17.613013|12.400054|0.182289|7.293312|4.655831|4.125345|4.605745|24.067566|2.899772|3.149102|2.673567|4.094586|4.904513|2.335641|3.274390|2.198498|4.077647|1.874680|0.050859|1.783747|1.561110|1.488020|1.533226|2.362289|12.530276|2.834225|3.566943|1.698267|1.543878|1.507181|1.617895|12.936287|6.704009|0.167625|0.139738|0.201421|0.209793|0.172960|0.301941|0.500000| |3.887186|5.091529|6.818383|12.474010|0.182578|17.617033|8.780153|6.635189|6.387320|29.390316|3.817933|4.543956|3.769955|5.468107|7.115574|3.189611|4.114741|2.613354|4.692096|2.196094|0.060532|2.083973|1.791849|1.666823|1.716719|2.671749|13.981485|3.156772|4.047876|1.824243|1.634842|1.560502|1.660112|13.578790|7.368090|0.097198|0.093024|0.110226|0.150628|0.121969|0.146640|0.213706|0.500000| |4.615781|6.786790|7.251617|12.317361|0.216069|17.664625|8.809830|5.554747|5.004654|24.431234|3.307267|4.005951|3.540904|5.149570|7.098403|3.268261|3.663831|2.338509|4.149744|2.004911|0.055922|1.869845|1.634124|1.539809|1.607529|2.485854|13.340341|3.058881|3.869145|1.745112|1.584038|1.511729|1.591070|12.802370|5.644301|0.108452|0.113694|0.125088|0.239109|0.161420|0.144564|0.195790|0.301308|0.500000| |2.888644|3.673769|4.119466|7.622196|0.146349|8.987045|17.624857|8.873564|5.858108|29.067047|4.571708|6.546188|6.080029|7.909041|13.656209|5.312151|4.895433|2.906685|4.927091|2.468723|0.070552|2.283946|1.958373|1.796900|1.878634|2.938393|15.512712|3.550712|4.575606|1.941769|1.734128|1.616285|1.687709|13.898760|4.953515|0.073258|0.073891|0.078917|0.112195|0.097679|0.097281|0.113228|0.220256|0.207519|0.500000| |3.196436|4.287616|4.560372|8.949441|0.202603|8.823883|17.556127|8.891416|6.077565|29.563103|4.530286|6.327309|5.705032|7.523135|12.444521|4.960382|4.828073|2.906088|4.960915|2.455417|0.070008|2.201812|1.897681|1.780157|1.900855|2.999752|16.449673|3.766719|4.962586|2.072642|1.857319|1.730268|1.801444|14.768494|5.253685|0.081047|0.082631|0.083461|0.130127|0.121684|0.107600|0.114688|0.173394|0.219703|0.305791|0.500000| |2.016179|2.383007|2.439359|3.961390|0.083258|3.502679|4.629965|4.072862|3.165928|19.655960|3.398081|4.389560|5.947840|9.234188|16.885043|17.671924|4.242449|2.551442|4.105491|2.353737|0.071221|2.141064|1.912506|1.753926|1.865740|2.834504|15.234866|3.684042|4.386628|1.843387|1.681350|1.533318|1.549332|12.488229|2.722087|0.052133|0.054247|0.054532|0.071844|0.066661|0.061434|0.065882|0.089668|0.095808|0.150440|0.141073|0.500000| |1.858155|2.180254|2.254586|3.677231|0.078689|3.061170|4.023992|3.976200|3.150479|20.775631|3.799955|4.758377|7.214116|12.892205|16.405879|17.657361|4.991384|2.949761|4.593753|2.772135|0.086689|2.436047|2.173675|1.994697|2.169302|3.322452|18.160404|4.454069|5.296417|2.121204|1.924148|1.719893|1.719186|13.969335|2.626930|0.048906|0.049916|0.049786|0.063910|0.062119|0.058172|0.060051|0.078342|0.081288|0.119910|0.122484|0.298441|0.500000| |1.816970|2.114668|2.228215|3.614601|0.074601|3.112558|4.049045|3.978420|3.141241|20.639074|3.771735|4.745454|7.201871|12.880512|16.400706|17.655695|4.944672|2.904713|4.534857|2.731264|0.084875|2.504368|2.224914|1.987793|2.098803|3.183846|16.625904|4.019242|4.744690|1.961440|1.770700|1.597699|1.613041|13.163452|2.619152|0.047669|0.048419|0.049502|0.062297|0.058811|0.057165|0.060817|0.082904|0.081831|0.130614|0.113764|0.298450|0.299923|0.500000| |1.816645|2.105242|2.344039|3.893968|0.081109|2.948622|3.659042|4.788475|4.309099|37.688082|9.554102|7.383338|7.541070|17.316267|8.835474|4.190510|25.928379|9.231161|10.826900|7.411121|0.243369|5.417094|4.036111|3.491804|3.887321|6.924966|33.809462|7.158704|10.812377|3.481610|2.855730|2.456951|2.531459|22.842910|3.225759|0.049561|0.047335|0.048779|0.058331|0.059735|0.063575|0.062455|0.079192|0.072149|0.099252|0.097430|0.095246|0.118263|0.116262|0.500000| |1.505192|1.663744|1.867751|2.885507|0.058333|2.082414|2.287627|2.773080|2.900162|27.250086|4.103991|3.236507|2.980304|5.729860|4.402174|2.244788|7.153544|7.490917|13.031276|8.907009|0.174735|17.581922|8.893833|6.972535|5.767531|9.330975|31.522744|6.390176|7.495087|3.851322|3.107349|2.784963|3.003682|28.004544|2.470594|0.042074|0.039099|0.040964|0.045066|0.046593|0.052657|0.050858|0.058449|0.051926|0.061986|0.059867|0.055801|0.062209|0.063885|0.129789|0.500000| |1.503614|1.675412|1.872120|2.928368|0.059030|2.182131|2.460646|2.973332|2.961837|26.502164|4.464326|3.630860|3.514182|7.087724|5.075258|2.615400|8.227636|7.095039|10.185376|8.902678|0.219885|17.542662|8.799045|5.541549|4.909431|7.648801|28.282837|6.092505|7.069511|3.219220|2.680560|2.369803|2.476659|22.101282|2.462644|0.041536|0.039164|0.041075|0.046008|0.046699|0.051821|0.051283|0.061421|0.054414|0.068270|0.064122|0.063761|0.071990|0.076440|0.162813|0.302233|0.500000| |1.274771|1.391559|1.528912|2.317374|0.046924|1.705557|1.865331|2.154607|2.176482|18.639260|2.877675|2.478739|2.436195|4.801610|3.731236|1.990981|4.779263|4.161047|6.826427|5.465896|0.137339|8.884476|17.564706|8.809004|5.528738|6.652072|24.471417|5.616408|5.521790|3.012506|2.631149|2.361416|2.426024|20.473023|1.908462|0.035452|0.033475|0.034877|0.038094|0.038873|0.042714|0.041950|0.047938|0.043442|0.051640|0.049475|0.049857|0.055597|0.057820|0.096323|0.215981|0.211910|0.500000| |1.286790|1.415774|1.541851|2.360984|0.048325|1.751533|1.955082|2.257014|2.223854|18.823228|3.068541|2.671220|2.721358|5.583015|4.118313|2.231759|5.309197|4.489472|6.798220|6.692513|0.192088|8.817915|17.514702|8.845045|6.911538|7.901246|28.760150|6.908720|6.361892|3.252283|2.837760|2.447932|2.442755|20.623067|1.919141|0.035612|0.033944|0.035030|0.038972|0.039803|0.042768|0.042004|0.048630|0.044746|0.054261|0.052500|0.055079|0.063453|0.065035|0.113309|0.173684|0.212594|0.303008|0.500000| |1.298642|1.413579|1.549512|2.336616|0.047894|1.672676|1.811758|2.107202|2.184193|19.222696|2.830632|2.384300|2.277178|4.389455|3.497751|1.842847|4.648436|4.397023|7.759735|5.746360|0.130005|6.965715|8.850353|17.546917|8.877496|9.368711|31.978786|6.997326|6.547263|4.310134|3.681259|3.286314|3.409244|29.336592|1.937337|0.036493|0.034120|0.035208|0.038245|0.039932|0.043932|0.041959|0.046414|0.042633|0.049011|0.048609|0.046498|0.052145|0.052058|0.090289|0.208403|0.141463|0.212942|0.173451|0.500000| |1.195068|1.298486|1.405745|2.113736|0.043483|1.533240|1.671058|1.907493|1.931087|16.362728|2.489036|2.168948|2.144745|4.212314|3.332556|1.797846|4.074112|3.589561|5.987309|4.832499|0.123270|5.541826|8.800212|17.556996|8.962011|7.625799|28.634760|7.003999|5.805833|3.663015|3.332776|2.912365|2.860270|23.100209|1.716902|0.033403|0.031613|0.032428|0.035405|0.036704|0.039522|0.038119|0.042412|0.039457|0.045672|0.045241|0.045349|0.051354|0.051194|0.082925|0.141797|0.123331|0.209921|0.213064|0.302203|0.500000| |1.297989|1.419895|1.531935|2.320041|0.048507|1.653378|1.812738|2.093297|2.135600|18.423758|2.787957|2.388177|2.327988|4.538107|3.587306|1.910782|4.592132|4.206826|7.064099|5.610746|0.138163|4.942048|5.543667|8.869950|17.627190|12.479695|50.176456|12.171914|8.357625|6.622587|5.828935|4.489610|4.176986|34.568712|1.887345|0.036446|0.034368|0.034834|0.038455|0.040673|0.043350|0.040911|0.044999|0.042469|0.048618|0.049739|0.048088|0.055460|0.053123|0.092218|0.130111|0.108385|0.123707|0.140762|0.216619|0.213743|0.500000| |1.294616|1.425778|1.534539|2.346896|0.049020|1.705501|1.904136|2.195136|2.178584|18.500400|2.967447|2.576298|2.604679|5.276842|3.969076|2.148231|5.078385|4.447324|6.839609|6.683617|0.188866|5.684997|6.843934|8.859984|17.556991|12.277602|46.828492|12.921378|8.459693|4.851526|4.261954|3.353483|3.156041|26.364742|1.892061|0.036033|0.034336|0.034833|0.038994|0.040716|0.042894|0.041125|0.046408|0.043829|0.051719|0.052323|0.053301|0.062918|0.060489|0.107686|0.131999|0.127298|0.140268|0.203267|0.173920|0.217927|0.302923|0.500000| |1.343532|1.467483|1.550380|2.327829|0.049878|1.625137|1.768594|2.001505|2.046428|16.955841|2.488763|2.211795|2.147248|4.048643|3.406506|1.816456|3.803276|3.197242|5.575044|3.506429|0.092729|2.919561|2.898874|3.489347|4.631611|6.364983|45.887436|13.073611|8.431389|8.928520|17.770776|8.567112|5.737231|37.573112|1.850226|0.037959|0.035911|0.035529|0.039479|0.042899|0.044175|0.040643|0.043297|0.042272|0.046542|0.049849|0.046464|0.053648|0.048989|0.076415|0.079419|0.070935|0.070451|0.078061|0.094912|0.091274|0.157850|0.122435|0.500000| |1.313691|1.410698|1.489109|2.184203|0.046565|1.496972|1.583058|1.771475|1.859407|15.257527|2.108282|1.885235|1.786098|3.271789|2.885286|1.525802|3.083674|2.578055|4.780380|2.661488|0.068571|2.369817|2.334336|2.762836|3.234097|4.481605|27.528649|6.672241|5.878506|5.740340|8.604886|17.763816|8.892550|37.592719|1.740885|0.037605|0.035106|0.034716|0.037512|0.041235|0.043109|0.039046|0.040105|0.039103|0.041426|0.044333|0.039679|0.044257|0.041120|0.060351|0.067509|0.058519|0.059238|0.061283|0.080075|0.073215|0.106426|0.082300|0.200484|0.500000| |1.466453|1.570819|1.691020|2.469052|0.052185|1.656535|1.723582|1.959388|2.130300|18.009993|2.343973|2.047505|1.871856|3.363852|3.003569|1.553771|3.356401|2.874784|5.706380|2.800739|0.069414|2.548278|2.407814|2.786021|3.091801|4.560422|26.106460|5.657824|5.965149|5.460780|5.702932|8.776152|17.777703|55.651271|2.022607|0.042469|0.038718|0.038776|0.041206|0.045727|0.049839|0.044312|0.044695|0.042796|0.044655|0.047540|0.040459|0.044323|0.041870|0.063375|0.076018|0.062885|0.062019|0.061258|0.084902|0.071366|0.096740|0.075547|0.122575|0.203707|0.500000| |3.847982|4.823088|7.051611|12.388117|0.229104|5.645734|4.891587|5.742532|8.866069|45.758570|4.399393|4.332206|3.290893|5.034443|5.525032|2.526262|4.673044|3.185620|6.226386|2.539099|0.066855|2.336005|1.973556|1.903043|1.995945|3.207284|17.254237|3.730687|5.115495|2.363031|2.077456|2.024423|2.235638|18.731553|17.608024|0.110621|0.090337|0.099075|0.115007|0.134539|0.229939|0.162508|0.146955|0.126757|0.109593|0.121569|0.067709|0.066792|0.065322|0.084072|0.067871|0.065765|0.052080|0.052134|0.054275|0.047703|0.053274|0.052465|0.053379|0.051221|0.060797|0.500000| |3.750341|4.610437|7.215743|12.425940|0.182546|6.934867|5.412421|6.057303|8.782638|41.316655|4.273491|4.390435|3.359273|5.084562|5.731324|2.607395|4.528235|3.017631|5.772121|2.436983|0.064712|2.317564|1.955520|1.843056|1.891888|2.996098|15.577472|3.411068|4.524711|2.090989|1.845688|1.787271|1.953501|16.289164|17.580505|0.103154|0.087095|0.103264|0.116627|0.116767|0.199422|0.205259|0.217297|0.145210|0.126980|0.122179|0.070339|0.066969|0.068686|0.082368|0.067189|0.066992|0.052317|0.051815|0.052379|0.046354|0.049907|0.050008|0.047896|0.045481|0.053091|0.301725|0.500000| 2577.872030 -14471.522061 5368.219878 -261.469091 -6786.899244 4206.395979 -2580.503265 2.001021 40B2A80000000003 4508EB0C52886B5B 448789F6DBA97D08 4219178EDF700003 40817FFFFFFFFFFF 43E62F1B0FDD32E5