Version2.2 2021-02-09T13:46:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 07-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)CNC(=O)C[NH+]1CCN(CC1)CCC(=O)Nc2c(c3c(s2)CCC3)C#N C24898917 RHF 6-31G(d) (6D,7F) CC(C)CNC(=O)C[NH+]1CCN(CC1)CCC(=O)Nc2c(c3c(s2)CCC3)C#N C01[X(C21H32N5O2S1)] 177 C1 503 N#Cc1c(NC(=O)CCN2CC[NH+](CC2)CC(=O)NCC(C)C)sc2c1CCC2 N#Cc1c(NC(=O)CCN2CC[NH+](CC2)CC(=O)NCC(C)C)sc2c1CCC2 CC(C)CNC(=O)C[NH+]1CCN(CC1)CCC(=O)Nc2sc3CCCc3c2C#N InChIKey=XOAOKHTWUXVKPQ-UHFFFAOYSA-O InChI=1S/C21H31N5O2S/c1-15(2)13-23-20(28)14-26-10-8-25(9-11-26)7-6-19(27)24-21-17(12-22)16-4-3-5-18(16)29-21/h15H,3-11,13-14H2,1-2H3,(H,23,28)(H,24,27)/p+1 InChI=1/C21H31N5O2S/c1-15(2)13-23-20(28)14-26-10-8-25(9-11-26)7-6-19(27)24-21-17(12-22)16-4-3-5-18(16)29-21/h15H,3-11,13-14H2,1-2H3,(H,23,28)(H,24,27)/p+1/fC21H32N5O2S/h23-24,26H/q+1 CC(C)CNC(=O)C[NH+]1CCN(CC1)CCC(=O)Nc2c(c3c(s2)CCC3)C#N C01[X(C21H32N5O2S1)] 177 C01 503 N#Cc1c(NC(=O)CCN2CC[NH+](CC2)CC(=O)NCC(C)C)sc2c1CCC2 N#C[C]1[C](SC2=[C]1CCC2)NC(=O)CCN1CC[NH](CC1)C[C]([NH]CC(C)C)=O CC(C)CNC(=O)C[NH]1CCN(CC1)CCC(=O)N[C]2SC3=C(CCC3)[C]2C#N InChIKey=DWOYKUHKONXDSR-UHFFFAOYSA-N InChI=1S/C21H32N5O2S/c1-15(2)13-23-20(28)14-26-10-8-25(9-11-26)7-6-19(27)24-21-17(12-22)16-4-3-5-18(16)29-21/h15,26H,3-11,13-14H2,1-2H3,(H,23,28)(H,24,27) InChI=1/C21H32N5O2S/c1-15(2)13-23-20(28)14-26-10-8-25(9-11-26)7-6-19(27)24-21-17(12-22)16-4-3-5-18(16)29-21/h15,26H,3-11,13-14H2,1-2H3,(H,23,28)(H,24,27)/f/h23-24H 2721.5337448786 -1633.1685933 1-A 32828.2150 112 391 503 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.04681 -20.68011 -20.63301 -15.84713 -15.73050 -15.70291 -15.69397 -15.63442 -11.50839 -11.45653 -11.45559 -11.44151 -11.43640 -11.40494 -11.40314 -11.40089 -11.37228 -11.36884 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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 2867.5244 56727.3440 58727.6327 1.00000 0.00128 -0.00214 -0.00132 0.99988 -0.01554 0.00212 0.01554 0.99988 1 0.03021 0.00153 0.00147 0.62937 0.03181 0.03073 10.39 17.05 23.32 32.50 40.72 62.16 80.15 89.31 101.25 109.46 118.63 140.03 153.43 169.15 178.31 191.21 252.71 261.58 280.57 331.15 338.56 339.84 367.87 378.65 388.26 404.18 432.46 445.30 477.90 487.97 527.93 577.32 605.27 617.87 645.02 667.63 703.38 721.55 728.08 755.24 770.37 772.06 783.40 823.25 843.55 856.90 905.15 916.02 939.15 963.81 1000.87 1042.86 1093.52 1098.41 1143.38 1232.97 1252.45 1261.20 1269.13 1296.73 1317.37 1339.53 1376.97 1389.17 1396.23 1427.25 1445.22 1454.08 1477.32 1508.22 1513.82 1545.80 1556.01 1562.47 1574.87 1579.89 1628.44 1641.09 1652.36 1670.02 1680.10 1687.29 1696.78 1731.76 1785.07 1796.36 1810.29 1837.56 1846.40 1858.89 1861.56 1881.31 1884.49 1897.28 1936.13 1939.16 1944.13 1971.87 2009.77 2023.08 2032.00 2043.48 2078.57 2083.71 2104.60 2116.12 2121.61 2128.60 2133.71 2145.51 2156.62 2172.94 2181.14 2224.63 2228.09 2240.77 2243.77 2248.83 2272.46 2275.64 2283.52 2304.23 2331.16 2337.16 2339.03 2343.12 2345.17 2347.35 2350.17 2353.66 2364.99 2366.02 2367.73 2371.67 2372.80 2374.93 2382.37 2390.44 2393.84 2515.72 2523.38 2571.28 2780.26 2845.49 3716.00 4506.29 4522.54 4569.19 4589.19 4607.11 4614.78 4622.76 4624.11 4632.94 4659.21 4674.58 4686.84 4688.36 4690.16 4690.74 4702.03 4702.24 4711.22 4717.60 4720.82 4728.10 4735.17 4741.11 4757.12 4774.89 4792.98 4793.21 4801.43 4821.71 5170.32 5523.51 5540.43 0.566338 0.594851 0.595796 0.500518 -1632.602255 -1632.573742 -1632.572798 -1632.668076 3.195640D-04 MUNgauss RevisionA2.1 retrievium 09-Feb-2021 DUDE CC(C)CNC(=O)C[NH+]1CCN(CC1)CCC(=O)Nc2c(c3c(s2)CCC3)C#N C24898917 RHF 6-31G(d) (6D,10F) C1 418.227672 |X|Y|Z| 38.583014 20.298396 175.861483 51.642771 18 6 7 16 14 3 1 |36.858105| |12.438409|36.858105| |7.540942|12.449391|36.858105| |7.627897|12.433859|7.500585|36.858105| |4.986886|7.621915|6.259730|12.993179|53.358707| |3.944170|5.386868|5.220450|7.726035|19.566214|36.858105| |3.774618|4.818724|4.926615|6.628903|11.467497|15.796360|73.516695| |3.083295|3.988730|3.970888|4.975495|10.685712|12.419592|14.419691|36.858105| |2.655623|3.279137|3.439236|3.893025|7.118610|7.825853|13.132932|12.827109|53.358707| |2.736039|3.328602|3.480871|4.058998|7.109655|8.186072|16.849015|9.569687|25.535148|0.500000| |2.584727|3.190051|3.576072|3.530930|6.108733|6.024312|10.567984|7.667102|17.251649|0.260305|36.858105| |2.219552|2.622016|2.929300|2.858986|4.618538|4.302878|8.155574|4.994000|10.470593|0.198677|12.539516|36.858105| |1.962729|2.283429|2.466420|2.503552|4.037420|3.654349|6.688480|4.469723|9.045653|0.164731|7.831293|13.156303|53.358707| |1.988233|2.307445|2.415980|2.611392|4.261670|3.935265|7.201241|4.981692|10.479713|0.196419|6.667775|8.024390|17.922683|36.858105| |2.227980|2.652055|2.721044|3.081389|5.326268|5.099815|8.659811|7.627262|17.312254|0.255707|7.714369|6.659601|10.639773|12.527230|36.858105| |1.737888|1.976038|2.135378|2.132125|3.319437|2.897220|5.385051|3.338183|6.061410|0.118368|5.081711|7.875720|17.730360|7.822842|5.060862|36.858105| |1.564030|1.763579|1.876783|1.892074|2.932947|2.491643|4.513283|2.900464|4.950392|0.094796|3.927534|5.090888|10.458253|6.118365|4.358987|12.486154|36.858105| |1.417217|1.575090|1.679070|1.670203|2.534472|2.112912|3.857808|2.376134|3.901389|0.076634|3.102094|3.908780|6.807124|4.223339|3.255900|7.598563|12.533735|36.858105| |1.410249|1.559334|1.677174|1.642692|2.465734|2.051256|3.791630|2.256649|3.692351|0.073731|2.993820|3.839741|6.199017|3.775348|2.959679|6.933832|7.980043|15.938699|73.516695| |1.305465|1.441557|1.520905|1.525489|2.303954|1.893672|3.422397|2.127666|3.392321|0.066466|2.627130|3.129919|5.298147|3.523488|2.854618|5.103232|7.868518|13.990445|15.052771|53.358707| |1.199402|1.312069|1.382616|1.378881|2.057251|1.671005|3.025655|1.845255|2.882385|0.057028|2.227711|2.600426|4.176449|2.821538|2.366268|3.843547|5.060846|7.751329|11.899061|18.670571|36.858105| |1.120313|1.219940|1.275908|1.280395|1.903642|1.531628|2.755329|1.688440|2.590375|0.051193|1.973237|2.239461|3.549435|2.466000|2.128276|3.098977|3.947065|5.150302|8.056292|10.704851|13.987484|36.858105| |1.046593|1.131755|1.184485|1.181187|1.739935|1.390050|2.507963|1.512204|2.296578|0.045706|1.753859|1.975493|3.042130|2.113822|1.851590|2.618608|3.141376|3.990048|6.775863|7.106228|8.207372|13.246856|36.858105| |1.056918|1.141023|1.201422|1.187168|1.741587|1.393528|2.530724|1.503808|2.293926|0.045913|1.770740|2.017080|3.062438|2.096716|1.825189|2.677613|3.118877|4.088078|7.433831|6.767804|7.749640|8.261929|14.280408|36.858105| |1.162974|1.263581|1.341040|1.318049|1.944002|1.572695|2.874675|1.703090|2.648237|0.053045|2.074796|2.435827|3.737764|2.489277|2.107710|3.439630|4.042170|5.953608|11.771108|9.366314|10.974647|7.384668|7.412040|10.983154|388.023441| |0.984521|1.055737|1.110245|1.093523|1.591371|1.264210|2.297947|1.350389|2.037536|0.040975|1.569114|1.765259|2.624663|1.810434|1.601203|2.242461|2.517694|3.128067|5.793198|4.866221|4.810302|5.183077|8.012566|12.671002|45.585623|36.858105| |0.937010|1.003675|1.049581|1.039275|1.513037|1.195544|2.158940|1.280944|1.914740|0.038343|1.462732|1.621148|2.417267|1.686756|1.511717|2.023375|2.292571|2.750763|4.905193|4.370494|4.181594|5.006986|8.021208|8.074122|33.193609|12.252362|36.858105| |0.968190|1.041140|1.084527|1.083751|1.587395|1.257969|2.263676|1.360270|2.038462|0.040649|1.545364|1.711441|2.597005|1.828430|1.632728|2.174728|2.535620|3.040649|5.211340|5.092073|5.003182|6.993007|12.653027|8.086527|34.305490|7.613765|12.263496|36.858105| |1.119699|1.221687|1.268071|1.287131|1.923276|1.543456|2.752518|1.718618|2.615879|0.051316|1.962085|2.185384|3.505186|2.494591|2.185179|2.956833|3.824248|4.506503|6.737441|9.039054|7.827236|13.304183|7.420861|5.177274|34.261266|3.857624|4.013758|5.649021|36.858105| |1.119081|1.222301|1.260776|1.291258|1.935721|1.548674|2.742478|1.736009|2.619688|0.051127|1.940110|2.125132|3.419727|2.482455|2.211530|2.798105|3.591780|3.929529|5.844039|7.300197|5.528290|7.416938|5.225685|3.962165|26.814439|3.163251|3.348717|4.506462|16.735548|53.358707| |17.575532|8.795588|6.904208|5.522175|5.584915|3.365652|5.732455|2.745427|3.273840|0.068089|2.392685|2.076581|2.505906|1.842797|2.043148|1.644804|1.487844|1.357180|2.407570|1.705682|1.156315|1.081742|1.014004|1.025361|8.003201|0.957958|0.912410|0.940014|1.079364|1.466645|0.500000| |17.552258|8.744407|5.476147|6.960041|6.356532|3.664928|6.154403|2.928926|3.405027|0.071439|2.385163|2.060275|2.522064|1.899869|2.138503|1.644842|1.494097|1.354774|2.386253|1.709153|1.155473|1.084252|1.013116|1.019706|7.939711|0.950903|0.908141|0.940148|1.088052|1.485149|0.302085|0.500000| |17.536986|8.766900|6.814035|6.885548|6.228239|3.843039|6.896089|2.968105|3.576210|0.076727|2.559893|2.235290|2.674276|1.991927|2.201518|1.751171|1.565229|1.424082|2.532466|1.779896|1.203349|1.121379|1.049548|1.063256|8.337170|0.991661|0.940862|0.970219|1.116478|1.514253|0.301956|0.301245|0.500000| |8.920844|17.484117|8.900548|8.920475|9.602254|4.888979|7.404055|3.900301|4.271332|0.086024|3.055290|2.496277|3.007307|2.229859|2.588240|1.910267|1.726499|1.540048|2.695266|1.930069|1.290996|1.205293|1.117208|1.122245|8.800609|1.038234|0.991097|1.029890|1.212451|1.657117|0.213606|0.213336|0.173523|0.500000| |6.811823|8.775374|17.539323|6.795989|7.561389|5.068900|9.341530|3.781068|4.663725|0.099563|3.577243|3.013597|3.404060|2.447524|2.700708|2.183942|1.896331|1.705039|3.051532|2.090532|1.398321|1.285459|1.195804|1.218242|9.707303|1.126960|1.060655|1.093201|1.270860|1.712844|0.169200|0.139223|0.201364|0.173368|0.500000| |5.471258|8.731604|17.542377|6.773473|9.424854|6.040643|9.637468|4.700697|5.467126|0.109774|4.322049|3.375842|3.797249|2.696303|3.082202|2.367250|2.065565|1.825903|3.229375|2.237572|1.482881|1.362682|1.258036|1.274644|10.173543|1.171356|1.106357|1.146406|1.355603|1.834847|0.140982|0.122262|0.139085|0.212519|0.301111|0.500000| |6.912225|8.803731|17.570006|5.473662|6.445067|4.066119|6.870297|3.322164|4.010651|0.081915|3.121146|2.627987|3.050286|2.170714|2.406460|1.972573|1.751645|1.583801|2.822136|1.962183|1.319208|1.220999|1.138940|1.156834|9.143922|1.073584|1.016249|1.046268|1.211481|1.637802|0.207927|0.141086|0.169532|0.213232|0.301677|0.302625|0.500000| |6.817221|8.795008|6.872529|17.646486|12.596235|7.546738|13.869897|4.713562|5.358258|0.119544|3.570303|2.961453|3.484966|2.678464|3.091357|2.194433|1.923419|1.703918|2.998556|2.106589|1.399991|1.295001|1.196412|1.207114|9.566745|1.112479|1.052880|1.095809|1.295411|1.761781|0.139677|0.168048|0.201433|0.173991|0.203653|0.169347|0.140335|0.500000| |7.116626|8.813393|5.479970|17.580155|12.516996|6.069334|9.393657|4.362242|4.678367|0.099101|3.056860|2.535794|3.104960|2.414031|2.844913|1.963449|1.767992|1.567822|2.730673|1.966762|1.311150|1.225219|1.132013|1.133767|8.889575|1.046930|0.999087|1.043353|1.237155|1.695895|0.143766|0.214722|0.174797|0.212192|0.140139|0.138679|0.123019|0.302576|0.500000| |4.547705|6.734708|5.486290|8.999649|26.011624|9.500707|10.840984|7.537922|6.590602|0.127069|4.204622|3.179399|3.881499|3.001397|3.805358|2.347471|2.111820|1.822360|3.129836|2.272765|1.491290|1.386948|1.265988|1.261537|9.963737|1.152439|1.100878|1.157674|1.409483|1.940244|0.107871|0.122022|0.111706|0.201571|0.129486|0.172074|0.122898|0.179639|0.216559|0.500000| |2.874232|3.591605|3.413663|4.554043|9.201504|8.869804|11.498102|17.603963|12.350943|0.211567|5.638854|4.179889|5.474423|4.760831|7.501457|3.092779|2.774306|2.280440|3.811033|2.823959|1.803090|1.665409|1.489000|1.470057|11.732373|1.321048|1.260486|1.345517|1.712532|2.375054|0.070968|0.077937|0.076723|0.099041|0.090462|0.107351|0.080956|0.119084|0.118337|0.191056|0.500000| |3.032996|3.978001|4.034515|4.614368|9.649807|8.667773|10.720627|17.631081|12.308185|0.185135|7.398787|4.721189|5.794834|4.447102|6.427007|3.212900|2.847490|2.339752|3.940711|2.867166|1.829957|1.679263|1.504455|1.493616|11.992673|1.341651|1.276746|1.354978|1.713097|2.359732|0.076515|0.079679|0.079408|0.112677|0.102746|0.137605|0.095732|0.116519|0.112557|0.214926|0.300985|0.500000| |2.468761|3.051594|3.397227|3.285989|5.708296|5.206250|8.482519|7.034125|12.399033|0.182203|17.627795|8.852217|9.634225|5.859348|7.016946|4.762593|3.929655|3.086976|5.212303|3.609522|2.243543|1.999181|1.770133|1.775692|14.702166|1.570372|1.473384|1.561365|2.003884|2.712327|0.064281|0.063645|0.066780|0.083634|0.091390|0.115306|0.084236|0.089379|0.080134|0.114987|0.149389|0.223044|0.500000| |2.924931|3.691322|4.357928|4.020510|6.869006|6.783728|12.333857|7.159620|12.376818|0.228778|17.645325|8.808279|7.676774|4.991647|5.630368|4.172508|3.293492|2.727103|4.786967|3.178063|2.022373|1.802326|1.623909|1.649842|13.651243|1.478092|1.376753|1.441899|1.781183|2.390485|0.074994|0.073366|0.080855|0.095979|0.122833|0.151786|0.103183|0.114277|0.093242|0.126428|0.143104|0.192894|0.298525|0.500000| |2.137320|2.505495|2.860473|2.646107|4.174901|3.716352|6.947064|4.153065|7.637234|0.145504|9.022541|17.611594|12.481426|5.747829|4.970467|7.313601|4.905265|3.963121|7.157107|4.275363|2.640056|2.256462|2.005819|2.069761|17.937706|1.814123|1.656005|1.732864|2.172146|2.847507|0.056313|0.054773|0.059715|0.066570|0.081655|0.091700|0.072725|0.075684|0.065160|0.080671|0.097585|0.114484|0.216806|0.213022|0.500000| |2.256164|2.629857|2.936078|2.901134|4.563667|4.295157|8.748083|4.617116|9.355963|0.208779|8.855532|17.418846|12.205793|7.130442|5.795785|6.876910|4.491436|3.642886|6.554057|3.992774|2.482414|2.141246|1.909409|1.964404|16.856846|1.732534|1.582363|1.660918|2.073151|2.732156|0.058269|0.058051|0.064154|0.068253|0.086266|0.091868|0.072653|0.085849|0.071375|0.085085|0.109323|0.115841|0.173449|0.215557|0.302191|0.500000| |1.808757|2.072305|2.144161|2.325820|3.739714|3.321892|5.969582|4.145154|7.651402|0.144172|4.973776|5.738594|12.436667|17.624261|9.036418|7.208272|6.884521|4.582765|6.915178|5.372653|3.084765|2.712098|2.278860|2.224596|18.664444|1.900281|1.782449|1.961444|2.800325|3.837681|0.046817|0.048426|0.050178|0.056156|0.059968|0.065758|0.054139|0.065729|0.060704|0.074398|0.115341|0.105955|0.130936|0.109388|0.127757|0.144381|0.500000| |2.003682|2.299024|2.399837|2.631324|4.201578|3.911996|7.551018|4.605425|9.363475|0.206081|5.803850|7.149403|12.241100|17.407655|8.853662|6.854863|5.199203|3.911677|6.453929|4.452830|2.685138|2.349266|2.041331|2.042666|17.235292|1.778174|1.647076|1.773832|2.348313|3.157076|0.051306|0.053197|0.056455|0.060842|0.068708|0.073248|0.059615|0.076626|0.067678|0.080402|0.123223|0.110209|0.134213|0.130617|0.144786|0.212134|0.302503|0.500000| |2.210732|2.601049|2.591599|3.093296|5.301099|4.982110|8.449428|7.079070|12.377207|0.223146|5.622841|4.988016|7.670508|8.808421|17.620588|4.157353|3.740902|2.910292|4.716898|3.565141|2.205789|2.013510|1.761140|1.726904|13.977261|1.524938|1.448238|1.567635|2.085377|2.897798|0.055884|0.059753|0.060759|0.070500|0.071515|0.079843|0.063567|0.086336|0.081222|0.105274|0.228752|0.157927|0.143285|0.126919|0.109324|0.130525|0.213880|0.215639|0.500000| |2.148327|2.564821|2.629944|2.910488|5.048380|4.567533|7.381345|7.010558|12.403613|0.180453|6.989723|5.825770|9.571594|8.833297|17.626893|4.729965|4.359231|3.234913|5.144467|3.929167|2.384980|2.161960|1.870977|1.829773|14.919096|1.601683|1.523215|1.652117|2.246496|3.124309|0.055257|0.057429|0.058221|0.070988|0.071136|0.083462|0.065453|0.079153|0.075105|0.104291|0.193869|0.189295|0.209704|0.143143|0.130346|0.133652|0.216873|0.173291|0.299509|0.500000| |1.728689|1.961369|2.154473|2.080062|3.203108|2.758925|5.135421|3.101915|5.454417|0.106779|4.885874|7.630627|12.529775|5.719949|4.228576|17.647082|8.969570|7.165911|13.398191|6.514266|3.766290|3.009885|2.596669|2.712200|25.220255|2.285162|2.039070|2.155165|2.803866|3.565436|0.045780|0.045150|0.048432|0.052626|0.061375|0.066475|0.055772|0.059464|0.052888|0.062891|0.078541|0.084515|0.129156|0.116055|0.238645|0.184067|0.144206|0.144913|0.097691|0.112559|0.500000| |1.710291|1.924573|2.068509|2.092093|3.210897|2.808024|5.352709|3.139790|5.652166|0.116406|4.492290|6.705401|12.231046|7.218486|4.640696|17.490054|8.818666|6.853598|12.040320|6.496024|3.734230|3.018210|2.586329|2.671124|24.455574|2.252729|2.014631|2.155316|2.846967|3.645822|0.044812|0.045049|0.048293|0.051236|0.059468|0.062853|0.052944|0.060586|0.053723|0.062378|0.081763|0.081942|0.112342|0.106669|0.167325|0.191205|0.185700|0.208222|0.111201|0.115099|0.304317|0.500000| |1.538615|1.730173|1.814908|1.876550|2.914969|2.476592|4.470546|2.907726|4.924380|0.094786|3.673110|4.516364|9.203681|6.526338|4.579518|8.736701|17.550423|8.931917|10.805722|9.988030|4.821804|3.949964|3.098815|2.993535|26.407097|2.429298|2.248300|2.531531|4.016846|5.290780|0.040484|0.041107|0.042751|0.047115|0.050852|0.055170|0.046879|0.052953|0.049130|0.058440|0.079202|0.078262|0.101343|0.085601|0.115258|0.113993|0.236966|0.154236|0.112899|0.126223|0.173843|0.210365|0.500000| |1.570686|1.781152|1.898271|1.895590|2.959878|2.489845|4.418545|2.945742|4.922421|0.091400|3.990081|4.901399|9.710452|5.529851|4.314661|8.867998|17.538417|8.941990|11.237538|9.423188|4.682836|3.801335|3.032617|2.969798|26.473502|2.416583|2.236811|2.476767|3.786327|4.937632|0.041664|0.041671|0.043339|0.048870|0.052715|0.058468|0.049435|0.052940|0.049174|0.059911|0.077980|0.082471|0.116790|0.092295|0.135338|0.114624|0.169561|0.125157|0.101350|0.127327|0.212312|0.173367|0.303186|0.500000| |1.306262|1.445749|1.514392|1.535733|2.332941|1.913968|3.426447|2.177389|3.448288|0.066907|2.623467|3.050893|5.258496|3.615039|2.969953|4.771279|7.588363|9.363682|10.860910|25.989927|9.412936|7.408361|4.798107|4.290966|37.220581|3.208198|3.009747|3.602465|7.701649|9.031603|0.034778|0.035029|0.036211|0.039678|0.042253|0.045526|0.039811|0.043065|0.040568|0.047245|0.059589|0.060039|0.074349|0.064249|0.083586|0.078597|0.116461|0.091439|0.076219|0.084761|0.119930|0.121896|0.223069|0.199517|0.500000| 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