Version2.0 2020-02-01T13:11:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)Nc4cc(cc(c4)C)C)c5cccs5 C28161530 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)Nc4cc(cc(c4)C)C)c5cccs5 C01[X(C28H28N4O2S2)] 186 C1 604 CCc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](S1)CC(=O)Nc1cc(C)cc(c1)C)c1cccs1 CCc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](S1)CC(=O)Nc1cc(C)cc(c1)C)c1cccs1 CCc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@@H](CC(=O)Nc4cc(C)cc(C)c4)S3)c5sccc5 InChIKey=TXKXPSXYYCKSQZ-UKILVPOCSA-N InChI=1S/C28H28N4O2S2/c1-4-19-7-9-20(10-8-19)23-15-22(24-6-5-11-35-24)31-32(23)28-30-27(34)25(36-28)16-26(33)29-21-13-17(2)12-18(3)14-21/h5-14,23,25H,4,15-16H2,1-3H3,(H,29,33)/t23-,25+/m0/s1 InChI=1/C28H28N4O2S2/c1-4-19-7-9-20(10-8-19)23-15-22(24-6-5-11-35-24)31-32(23)28-30-27(34)25(36-28)16-26(33)29-21-13-17(2)12-18(3)14-21/h5-14,23,25H,4,15-16H2,1-3H3,(H,29,33)/t23-,25+/m0/s1/f/h29H CCc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)Nc4cc(cc(c4)C)C)c5cccs5 C01[X(C28H28N4O2S2)] 186 C01 604 CCc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](S1)CC(=O)Nc1cc(C)cc(c1)C)c1cccs1 CCc1ccc(cc1)[C@@H]1CC(=NN1[C@@H]1NC(=O)[C@H](S1)CC(=O)Nc1cc(C)cc(c1)C)c1cccs1 CCc1ccc(cc1)[C@@H]2CC(=NN2[C@@H]3NC(=O)[C@@H](CC(=O)Nc4cc(C)cc(C)c4)S3)c5sccc5 InChIKey=CRYIOCKTZXPPEA-CKOJHNACSA-N InChI=1S/C28H30N4O2S2/c1-4-19-7-9-20(10-8-19)23-15-22(24-6-5-11-35-24)31-32(23)28-30-27(34)25(36-28)16-26(33)29-21-13-17(2)12-18(3)14-21/h5-14,23,25,28H,4,15-16H2,1-3H3,(H,29,33)(H,30,34)/t23-,25+,28-/m0/s1 InChI=1/C28H30N4O2S2/c1-4-19-7-9-20(10-8-19)23-15-22(24-6-5-11-35-24)31-32(23)28-30-27(34)25(36-28)16-26(33)29-21-13-17(2)12-18(3)14-21/h5-14,23,25,28H,4,15-16H2,1-3H3,(H,29,33)(H,30,34)/t23-,25+,28-/m0/s1/f/h29-30H 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1863.28 1883.56 1889.25 1890.44 1902.25 1909.08 1926.37 1930.38 1956.05 2003.26 2010.60 2015.86 2080.00 2094.06 2095.04 2100.69 2108.14 2129.46 2154.24 2183.10 2192.25 2225.85 2245.33 2251.62 2256.91 2285.73 2290.61 2293.29 2311.16 2318.84 2338.38 2346.44 2347.51 2349.68 2353.47 2360.41 2364.76 2380.09 2384.66 2439.38 2454.40 2505.95 2528.93 2553.63 2596.01 2614.13 2626.61 2721.73 2822.42 2879.34 4606.76 4610.95 4612.88 4620.75 4634.06 4656.06 4663.17 4687.75 4690.52 4699.98 4702.52 4711.35 4719.68 4721.79 4735.73 4745.68 4759.65 4803.52 4816.35 4820.13 4825.04 4845.64 4857.49 4897.71 4925.94 4958.58 4963.01 5566.73 0.548735 0.581280 0.582224 0.474355 -2238.629829 -2238.597284 -2238.596340 -2238.704208 3.617910D-04 MUNgauss RevisionA2.0 retrievium 01-Feb-2020 DUDE CCc1ccc(cc1)[C@@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)Nc4cc(cc(c4)C)C)c5cccs5 C28161530 RHF 6-31G(d) (6D,10F) C1 516.165370 |X|Y|Z| 148.512996 82.814203 45.285878 82.276793 30 6 7 16 24 4 2 |36.858105| |12.422285|36.858105| 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|2.377308|2.752654|3.456423|3.714477|4.706272|5.942173|5.068001|3.889359|7.657453|0.194988|5.284138|5.627362|11.032285|19.507112|36.858105| |2.439146|2.873502|3.604774|4.065622|5.197729|5.832680|4.699621|3.818409|6.689741|0.195854|4.479225|4.322143|7.342959|11.375617|14.813166|53.358707| |2.181134|2.564121|3.063678|3.359045|3.951069|4.194811|3.673229|3.186807|4.522258|0.131262|3.413856|3.418940|5.702039|7.483462|8.638440|18.897885|36.858105| |2.119393|2.495636|2.907050|3.226202|3.659875|3.650562|3.216057|2.912815|3.762777|0.111736|2.926516|2.861715|4.557648|5.724493|5.703636|11.378670|15.985764|73.516695| |1.959432|2.265313|2.645513|2.778308|3.175268|3.504254|3.260809|2.837755|3.851507|0.106608|3.128264|3.349134|5.767233|6.817651|7.619669|10.584815|12.360239|14.245406|36.858105| |1.783340|2.029334|2.337518|2.473436|2.817371|3.054461|2.817144|2.475384|3.420855|0.097170|2.871778|3.067663|5.135582|5.842249|5.983680|8.357166|8.904925|12.445513|17.628021|0.500000| |2.031517|2.317942|2.761160|2.839223|3.319336|3.961249|3.776391|3.112512|4.647636|0.120128|3.884227|4.559936|8.854163|9.661563|10.776445|9.798985|7.108150|8.851263|10.502584|0.221737|388.023441| |1.912148|2.227271|2.529666|2.582438|2.818772|3.048809|2.973029|2.701798|3.150753|0.085605|2.634973|2.812905|4.673702|5.272429|5.189024|7.280482|7.567688|11.615328|12.507337|0.247367|48.161209|36.858105| |1.700237|1.940750|2.163381|2.176421|2.349450|2.555565|2.541546|2.328072|2.671383|0.072078|2.340415|2.560576|4.195998|4.437392|4.064574|5.343944|4.905620|7.825367|7.526338|0.194200|40.688387|12.531471|36.858105| |1.612835|1.816301|2.032042|2.051361|2.240061|2.464910|2.438006|2.201557|2.650276|0.071517|2.372775|2.652114|4.368525|4.466511|4.019582|5.064869|4.441999|6.911011|6.887951|0.197903|43.274869|7.998492|15.885602|73.516695| |1.629222|1.856809|2.025481|2.012524|2.121544|2.271349|2.295468|2.160452|2.313429|0.062356|2.052689|2.218486|3.535016|3.708313|3.252912|4.366397|3.873641|6.553303|5.087395|0.132992|29.560447|7.912681|14.017785|14.930736|53.358707| |1.477468|1.660070|1.786670|1.764434|1.845556|1.970620|2.005720|1.903765|2.009442|0.054134|1.825915|1.980993|3.097702|3.170430|2.683177|3.560005|3.030387|5.172990|3.790940|0.103059|23.868285|5.030291|7.605374|11.510227|18.386313|36.858105| |1.429150|1.602761|1.697137|1.665668|1.715382|1.808592|1.852306|1.790955|1.814279|0.048952|1.654634|1.772031|2.724816|2.799182|2.328043|3.136112|2.631915|4.603629|3.108935|0.083903|19.695646|4.016592|5.152142|7.865298|10.870431|13.640217|36.858105| |1.308711|1.450789|1.523961|1.492724|1.531939|1.611876|1.653893|1.605468|1.620108|0.043745|1.499200|1.606031|2.437765|2.473635|2.018598|2.704410|2.222799|3.889630|2.575443|0.070468|16.842328|3.140956|3.885492|6.370008|7.070109|7.888010|13.810255|36.858105| |1.242982|1.367047|1.442726|1.416636|1.464404|1.550632|1.587340|1.527574|1.577447|0.042580|1.476060|1.595457|2.417105|2.418584|1.959319|2.590975|2.108706|3.646368|2.469558|0.068614|16.567956|2.909314|3.672396|6.405877|6.208932|6.881763|7.980351|13.664219|36.858105| |1.273029|1.400469|1.494552|1.473881|1.540584|1.646480|1.678106|1.593551|1.697763|0.045781|1.591227|1.739846|2.660850|2.640898|2.152473|2.809119|2.292383|3.902188|2.764728|0.077742|18.778309|3.223013|4.295075|7.931612|6.967042|7.931609|6.881701|7.888550|13.788029|36.858105| |1.384419|1.537391|1.658724|1.641548|1.729576|1.860001|1.888605|1.776457|1.927399|0.051910|1.782423|1.958345|3.050233|3.052063|2.543760|3.307469|2.754133|4.632211|3.465771|0.097200|23.037762|4.201538|6.255550|11.612667|10.525121|13.777184|7.920943|6.820090|7.925743|13.653085|36.858105| |1.192126|1.298821|1.387257|1.371194|1.439214|1.542378|1.567628|1.481400|1.606585|0.043368|1.528490|1.681193|2.548054|2.490778|1.999758|2.585126|2.073601|3.509062|2.476524|0.070602|17.361651|2.748325|3.519492|6.856035|5.217460|5.040845|4.451449|5.005730|7.562146|12.604632|7.601319|36.858105| |1.253793|1.384282|1.435268|1.401136|1.422367|1.482217|1.524801|1.499228|1.474666|0.039894|1.368845|1.451494|2.176970|2.215997|1.787868|2.417337|1.965511|3.482854|2.206058|0.060128|14.475425|2.637736|3.066679|5.020646|5.292810|5.005785|7.570223|12.608038|7.561497|5.018381|4.425978|3.782262|36.858105| |2.166636|2.267053|2.704735|2.703590|3.160604|4.011581|4.034490|3.192749|5.004248|0.116324|7.227562|13.018985|10.897610|7.308195|4.051291|4.464772|2.761114|4.222057|2.791417|0.072644|26.265935|2.425272|2.288622|4.270434|2.744498|1.841649|1.656134|1.521859|1.527481|1.666695|1.848917|1.634274|1.379704|36.858105| |1.938779|2.032584|2.366952|2.337545|2.661555|3.269985|3.364576|2.772090|3.895964|0.093946|4.876838|7.545904|8.806320|6.038625|3.639152|4.016485|2.582887|3.962155|2.715214|0.071388|25.873378|2.397174|2.332106|4.432737|2.802027|1.905955|1.704162|1.576251|1.599538|1.760006|1.944307|1.745825|1.420955|14.082398|36.858105| |1.790071|1.841384|2.096783|2.060460|2.294455|2.723274|2.816273|2.413639|3.116974|0.077373|3.860110|5.096352|5.970615|4.574939|2.862807|3.298285|2.164559|3.396689|2.260623|0.060191|20.405781|2.040309|2.008811|3.804721|2.461095|1.701918|1.540324|1.442923|1.471193|1.607780|1.746256|1.611835|1.312097|8.214131|13.329045|36.858105| |1.848280|1.869588|2.125129|2.095560|2.327990|2.735690|2.809031|2.425731|3.100858|0.077419|4.000631|4.874856|5.374830|4.306627|2.659868|3.132079|2.036767|3.230239|2.075467|0.055260|18.200702|1.874863|1.821265|3.404572|2.247321|1.550823|1.417077|1.328850|1.346428|1.457661|1.576971|1.454679|1.218687|7.701545|8.246160|14.139789|36.858105| |2.134094|2.157155|2.518188|2.516247|2.867735|3.454274|3.470047|2.893992|4.029409|0.098328|5.872569|6.810743|6.539371|5.270753|3.082362|3.622281|2.279464|3.594346|2.256597|0.059467|19.811806|2.004655|1.897676|3.504469|2.324330|1.578895|1.442736|1.339698|1.343522|1.449399|1.583280|1.427945|1.229934|10.962472|7.449328|7.463713|11.076742|388.023441| |17.553623|8.767231|6.798954|5.931435|4.360833|3.766863|3.969551|5.036923|2.956594|0.078276|2.766590|2.400292|3.146978|3.446270|2.348431|3.306352|2.156974|3.741289|1.919307|0.048867|14.107235|1.849564|1.642164|2.782999|2.129742|1.418885|1.368089|1.254374|1.195352|1.227474|1.334703|1.153711|1.200051|2.156526|1.912459|1.769736|1.842846|15.294711|0.500000| |17.552162|8.763977|6.797585|5.006026|3.951074|3.767472|4.389585|5.987941|2.955115|0.075371|2.833695|2.536520|3.317554|3.538640|2.382666|3.255030|2.125515|3.622306|1.936942|0.048961|14.574747|1.884457|1.690573|2.869909|2.199772|1.471819|1.419160|1.303390|1.243810|1.277453|1.387165|1.201014|1.245552|2.313776|2.064359|1.915187|1.989900|16.383170|0.301817|0.500000| |17.544872|8.774789|5.478980|4.413290|3.403995|3.100004|3.414286|4.429201|2.500086|0.065709|2.345364|2.122004|2.830334|3.051193|2.121806|2.968670|1.987881|3.466841|1.802493|0.045834|13.158762|1.779465|1.595681|2.686651|2.101838|1.410128|1.375160|1.265306|1.199285|1.221082|1.320192|1.143200|1.220936|1.939314|1.759849|1.639670|1.688266|13.627015|0.301127|0.301158|0.500000| |8.853961|17.547580|8.919308|7.152351|4.728814|3.966665|4.216025|5.667150|3.026713|0.080491|2.641202|2.363252|3.252329|3.680163|2.632665|3.837400|2.560001|4.530989|2.232622|0.055838|15.816986|2.207505|1.912253|3.162575|2.502660|1.641011|1.592663|1.439900|1.350603|1.378152|1.512015|1.274298|1.379791|2.075422|1.873337|1.700362|1.721034|14.020147|0.210804|0.172993|0.213065|0.500000| |8.854030|17.542939|8.916509|5.684796|4.221472|3.966969|4.724966|7.124551|3.024856|0.077359|2.698629|2.491617|3.439871|3.792154|2.680719|3.758362|2.508308|4.325820|2.260344|0.055977|16.479014|2.267197|1.989387|3.290939|2.617713|1.723913|1.674338|1.514943|1.421202|1.449517|1.589028|1.338433|1.449786|2.213061|2.014035|1.826894|1.837799|14.835701|0.173023|0.210694|0.213114|0.304123|0.500000| |5.501954|6.984795|8.919297|17.699597|8.943393|5.643450|4.970568|5.666013|4.101120|0.114622|3.368957|2.814230|3.834948|4.575607|3.219250|4.895109|3.085481|5.446929|2.547445|0.063956|18.008844|2.390436|2.025693|3.388293|2.573223|1.666442|1.585320|1.426034|1.350496|1.397780|1.548582|1.300804|1.347418|2.373719|2.079847|1.858361|1.894803|15.958399|0.170686|0.128077|0.124548|0.214547|0.144098|0.500000| |3.534452|4.089271|5.632998|8.935692|17.713146|8.928239|5.663772|4.973304|7.032751|0.228180|4.950848|3.777883|5.150543|6.723855|4.553857|7.193259|4.031230|6.790554|3.157168|0.079416|22.824692|2.750341|2.291086|3.904321|2.803421|1.793557|1.664445|1.488973|1.426784|1.503348|1.686547|1.408784|1.382248|2.976133|2.519786|2.185607|2.221646|19.373410|0.105638|0.092773|0.083241|0.112429|0.097357|0.216828|0.500000| |3.556438|4.092728|5.631680|4.970514|5.660165|8.885152|17.698190|8.961091|6.941919|0.140274|6.262177|6.213044|8.617144|9.105155|5.177569|6.040528|3.540203|5.404246|3.306325|0.079287|28.924183|3.017205|2.636522|4.555650|3.223150|2.080785|1.906623|1.706112|1.648864|1.754824|1.977363|1.646344|1.562879|4.778647|3.980297|3.241275|3.174229|27.734506|0.093405|0.106692|0.083638|0.097205|0.112310|0.107801|0.124173|0.500000| |5.566787|6.986802|8.903708|5.668131|4.971638|5.639423|8.957249|17.695447|4.087367|0.096445|3.707192|3.491956|4.785662|5.157991|3.425071|4.489386|2.853448|4.657876|2.628757|0.063992|20.625429|2.564385|2.256534|3.793906|2.890855|1.891793|1.792595|1.615116|1.535816|1.594728|1.766730|1.482261|1.514674|3.038292|2.704548|2.387744|2.388641|19.747787|0.129485|0.174165|0.125553|0.143579|0.213032|0.124264|0.107843|0.217445|0.500000| |3.002494|3.121723|4.022897|4.206055|5.316586|7.299091|6.509731|4.727888|8.675325|0.182555|17.606295|8.783292|8.345152|8.248675|4.298423|5.170762|2.994227|4.674495|2.749579|0.070037|23.573439|2.393348|2.140969|3.825041|2.600948|1.713357|1.569543|1.429304|1.403655|1.501442|1.667960|1.441865|1.315043|6.486323|4.476911|3.736728|4.037881|43.777100|0.085649|0.089248|0.071327|0.077770|0.080402|0.097763|0.133021|0.185213|0.113723|0.500000| |2.453798|2.574071|3.201767|3.520729|4.560898|5.649666|4.576086|3.529267|8.665671|0.224699|17.556141|8.894938|8.650864|8.667102|4.575567|5.501917|3.166867|4.913030|2.901725|0.075969|24.855967|2.432507|2.181684|3.964994|2.609249|1.717431|1.558507|1.419845|1.403927|1.514364|1.687466|1.464671|1.298839|6.391323|4.491821|3.707792|3.936107|41.131641|0.070718|0.070712|0.059800|0.066592|0.066579|0.085848|0.127573|0.128385|0.086114|0.302099|0.500000| |1.862838|2.172233|2.433193|2.513091|2.707168|2.831664|2.726407|2.530560|2.882455|0.080032|2.410318|2.507571|4.047073|4.609869|4.398408|6.627892|7.169997|13.133516|8.974665|0.213322|36.243378|17.555644|8.882049|10.932756|9.767223|4.740154|3.983092|3.108112|2.823440|3.050013|3.871394|2.588932|2.657276|2.175552|2.133950|1.843910|1.714598|13.066455|0.050246|0.050488|0.048451|0.060741|0.061169|0.065794|0.074427|0.075246|0.066478|0.061319|0.062558|0.500000| |2.083792|2.467243|2.809821|2.807312|3.017994|3.294578|3.312122|3.042036|3.281364|0.087005|2.722064|2.901405|4.821375|5.465053|5.251882|7.260269|6.815765|10.438245|8.827456|0.173916|45.421096|17.535607|8.912677|11.056937|9.660451|4.717909|3.945524|3.089574|2.818005|3.054223|3.881030|2.598640|2.637756|2.489809|2.446968|2.078674|1.914865|14.628004|0.055364|0.057088|0.053741|0.067516|0.070694|0.071332|0.079801|0.093524|0.080802|0.069537|0.068543|0.302780|0.500000| |1.694576|1.949468|2.111471|2.092588|2.179542|2.304425|2.335243|2.230595|2.301247|0.062142|2.021087|2.150812|3.400182|3.628932|3.178929|4.385137|3.918696|6.843294|4.828980|0.122645|27.332045|7.785322|9.507544|10.891018|26.061395|9.351477|7.710825|4.950286|4.104466|4.291649|5.757741|3.290142|3.932039|1.942468|1.959738|1.726668|1.591542|11.800531|0.045055|0.046401|0.044740|0.053994|0.056343|0.054840|0.058615|0.066104|0.060926|0.052614|0.052282|0.218392|0.212155|0.500000| |1.488877|1.681940|1.769982|1.733847|1.769968|1.849864|1.897255|1.853808|1.831573|0.049486|1.655780|1.754342|2.690573|2.800646|2.334698|3.195389|2.695269|4.793299|3.100678|0.082353|19.249810|4.086031|4.849308|7.100112|10.073026|8.889663|17.682204|8.948522|5.659228|4.953776|5.640865|3.556215|7.020117|1.627659|1.657930|1.497313|1.387191|10.126020|0.039482|0.040851|0.039898|0.046694|0.048991|0.046001|0.047618|0.053768|0.051543|0.043794|0.043211|0.116365|0.114574|0.238432|0.500000| |1.168609|1.276685|1.340046|1.314667|1.354694|1.430180|1.464942|1.415164|1.453640|0.039280|1.370746|1.477773|2.217603|2.209191|1.770063|2.341717|1.885107|3.269706|2.171490|0.060504|14.740366|2.498982|3.047674|5.382643|4.936489|4.954689|5.667166|8.906667|17.693646|8.937242|5.638144|7.007261|7.035969|1.425683|1.495432|1.388359|1.274332|8.996228|0.031246|0.032519|0.031421|0.035040|0.036850|0.034916|0.036703|0.042241|0.039618|0.036354|0.036343|0.067704|0.067602|0.092895|0.124385|0.500000| |1.401168|1.553142|1.692401|1.683753|1.794588|1.947225|1.964501|1.822579|2.050824|0.055228|1.902403|2.115091|3.326824|3.296439|2.761559|3.531097|2.933742|4.837331|3.813103|0.109108|25.986130|4.432413|6.843237|15.043009|9.550176|8.940355|5.642297|4.931963|5.648025|8.890728|17.814710|7.063589|3.545194|1.997562|2.117105|1.886451|1.688712|12.024616|0.037651|0.039101|0.036933|0.042283|0.044354|0.043935|0.048737|0.057481|0.050080|0.049025|0.050125|0.109801|0.110604|0.143514|0.124159|0.124149|0.500000| |1.218489|1.324868|1.420164|1.398493|1.472155|1.591336|1.626005|1.528875|1.664553|0.044638|1.595752|1.775320|2.694603|2.597271|2.068960|2.635876|2.088520|3.488514|2.506272|0.070879|18.161112|2.741075|3.494491|6.970880|5.013252|4.625864|3.990714|4.292716|5.885736|8.847742|6.778612|17.548283|3.340429|1.740146|1.881196|1.737663|1.553801|10.751546|0.032720|0.034256|0.032384|0.035912|0.037958|0.036674|0.039878|0.047840|0.042620|0.041800|0.042368|0.070354|0.072694|0.087606|0.090766|0.152224|0.193016|0.500000| |1.167368|1.270220|1.361259|1.355727|1.430582|1.529420|1.539528|1.447923|1.606257|0.043654|1.527875|1.676777|2.540697|2.490054|2.006604|2.602780|2.097834|3.558914|2.512243|0.073122|17.436175|2.737855|3.493167|6.979018|5.009064|4.623525|3.991392|4.295894|5.892772|8.848496|6.769608|17.548214|3.343479|1.627105|1.734746|1.600447|1.446228|10.112856|0.031517|0.032612|0.031051|0.034695|0.036163|0.035801|0.039140|0.044760|0.039991|0.039847|0.040919|0.072160|0.070526|0.087536|0.090784|0.152493|0.192538|0.302442|0.500000| |1.129033|1.224432|1.298635|1.280979|1.336728|1.425189|1.451533|1.381388|1.476193|0.039889|1.410968|1.542352|2.313753|2.262809|1.800012|2.340037|1.863499|3.178477|2.179392|0.061871|15.281919|2.405141|2.972348|5.644242|4.435224|4.179996|3.978107|4.742548|7.257611|8.830810|5.581971|17.579601|3.810589|1.507269|1.606920|1.498459|1.360169|9.467742|0.030346|0.031596|0.030192|0.033409|0.035086|0.033877|0.036350|0.042229|0.038517|0.037184|0.037640|0.063719|0.063895|0.080246|0.090485|0.223156|0.141111|0.301511|0.301524|0.500000| |1.232302|1.354148|1.398342|1.356609|1.372897|1.434804|1.486359|1.466175|1.424224|0.038359|1.331580|1.415746|2.112958|2.134341|1.704483|2.287958|1.835804|3.229784|2.050116|0.055595|13.745747|2.414733|2.780148|4.618446|4.657501|4.293039|5.891321|8.847715|6.733075|4.603288|3.969530|3.643560|17.546355|1.355163|1.401160|1.300866|1.207758|8.621901|0.032685|0.034130|0.033406|0.037347|0.039534|0.036184|0.036925|0.042490|0.041413|0.035686|0.035055|0.066660|0.067888|0.095398|0.152479|0.191840|0.090478|0.091573|0.087736|0.104682|0.500000| |1.180219|1.296821|1.342971|1.318453|1.340034|1.390010|1.420506|1.395332|1.388284|0.037759|1.292299|1.365205|2.037825|2.075353|1.670623|2.268349|1.844010|3.288838|2.055574|0.056718|13.435893|2.415371|2.782755|4.625642|4.659941|4.295375|5.896369|8.848315|6.727270|4.601916|3.970133|3.642087|17.546466|1.300519|1.338213|1.240872|1.155732|8.286765|0.031505|0.032523|0.031966|0.036008|0.037542|0.035371|0.036365|0.040318|0.039015|0.034470|0.034246|0.068274|0.066188|0.095432|0.152678|0.191509|0.090495|0.087630|0.091665|0.104574|0.302308|0.500000| |1.303843|1.447140|1.493095|1.455404|1.468300|1.521170|1.566432|1.551324|1.500353|0.040620|1.383385|1.456852|2.184415|2.243660|1.815021|2.477306|2.021292|3.615370|2.239553|0.060494|14.508695|2.709834|3.064301|4.893795|5.334595|4.739783|7.258050|8.825978|5.566989|4.166507|3.958214|3.215453|17.578376|1.376253|1.407085|1.296150|1.209245|8.737488|0.034590|0.035833|0.035347|0.040242|0.042225|0.038980|0.039583|0.044335|0.043541|0.036996|0.036382|0.076947|0.076190|0.115366|0.223471|0.140764|0.090253|0.080783|0.080827|0.088310|0.301700|0.301724|0.500000| |1.880130|1.998887|2.322769|2.290915|2.603026|3.191611|3.292217|2.720289|3.791042|0.091954|4.394682|6.722658|9.356106|6.274736|3.933335|4.240183|2.770278|4.198657|3.010728|0.079038|29.969585|2.652338|2.620093|5.064477|3.109529|2.112515|1.864287|1.717508|1.751710|1.949315|2.172858|1.935826|1.532267|8.928767|17.761090|8.588384|5.732265|37.700009|0.051214|0.055185|0.047603|0.051454|0.055448|0.056699|0.068524|0.108494|0.073955|0.109616|0.111444|0.064566|0.074892|0.059725|0.050019|0.045249|0.066496|0.058432|0.053380|0.049068|0.041917|0.039955|0.041986|0.500000| 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