Version2.1 2021-01-09T00:38:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1)NCc2nnc(n2N)SCC(=O)Nc3cc(c(c(c3)OC)OC)OC C59312119 RHF 6-31G(d) (6D,7F) COc1ccc(cc1)NCc2nnc(n2N)SCC(=O)Nc3cc(c(c(c3)OC)OC)OC C01[X(C21H26N6O5S1)] 171 C1 551 COc1ccc(cc1)NCc1nnc(n1N)SCC(=O)Nc1cc(OC)c(c(c1)OC)OC COc1ccc(cc1)NCc1nnc(n1N)SCC(=O)Nc1cc(OC)c(c(c1)OC)OC COc1ccc(NCc2nnc(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2N)cc1 InChIKey=VBNIKYCFKZIUAQ-UHFFFAOYSA-N InChI=1S/C21H26N6O5S/c1-29-15-7-5-13(6-8-15)23-11-18-25-26-21(27(18)22)33-12-19(28)24-14-9-16(30-2)20(32-4)17(10-14)31-3/h5-10,23H,11-12,22H2,1-4H3,(H,24,28) InChI=1/C21H26N6O5S/c1-29-15-7-5-13(6-8-15)23-11-18-25-26-21(27(18)22)33-12-19(28)24-14-9-16(30-2)20(32-4)17(10-14)31-3/h5-10,23H,11-12,22H2,1-4H3,(H,24,28)/f/h24H COc1ccc(cc1)NCc2nnc(n2N)SCC(=O)Nc3cc(c(c(c3)OC)OC)OC C01[X(C21H26N6O5S1)] 171 C01 551 COc1ccc(cc1)NCc1nnc(n1N)SCC(=O)Nc1cc(OC)c(c(c1)OC)OC CO[C]1[CH][CH][C]([CH][CH]1)NCC1=[N][N][C](N1N)SCC(=O)N[C]1[CH][C]([C]([C]([CH]1)OC)OC)OC CO[C]1[CH][CH][C]([CH][CH]1)NCC2=N[N][C](SCC(=O)N[C]3[CH][C](OC)[C](OC)[C]([CH]3)OC)N2N InChIKey=VBNIKYCFKZIUAQ-UHFFFAOYSA-N InChI=1S/C21H26N6O5S/c1-29-15-7-5-13(6-8-15)23-11-18-25-26-21(27(18)22)33-12-19(28)24-14-9-16(30-2)20(32-4)17(10-14)31-3/h5-10,23H,11-12,22H2,1-4H3,(H,24,28) InChI=1/C21H26N6O5S/c1-29-15-7-5-13(6-8-15)23-11-18-25-26-21(27(18)22)33-12-19(28)24-14-9-16(30-2)20(32-4)17(10-14)31-3/h5-10,23H,11-12,22H2,1-4H3,(H,24,28)/f/h24H 3205.8443254227 -1908.7713214 1-A 41766.6984 125 426 551 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.96620 -20.59128 -20.58897 -20.58259 -20.55453 -20.54703 -15.66353 -15.62177 -15.61243 -15.58678 -15.58089 -15.57353 -11.37269 -11.32851 -11.30667 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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 56 57 58 59 6 8 6 6 6 6 6 6 7 6 6 7 7 6 7 7 16 6 6 8 7 6 6 6 6 6 6 8 6 8 6 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 14.00307 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 12.00000 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 1.00783 1.00783 3964.1231 73606.0973 76065.1459 1.00000 -0.00047 0.00285 0.00047 1.00000 0.00017 -0.00285 -0.00017 1.00000 1 0.02185 0.00118 0.00114 0.45527 0.02452 0.02373 9.93 16.99 23.34 43.04 46.05 52.40 65.26 81.07 96.11 106.43 110.58 125.30 131.66 134.69 146.95 176.37 183.81 218.28 234.34 255.85 278.58 292.90 299.53 324.84 329.61 371.28 376.58 390.54 397.09 413.57 426.25 431.48 457.61 468.68 473.89 495.63 526.27 569.32 588.25 605.80 661.46 673.64 693.68 724.61 769.29 799.69 826.93 833.56 838.34 841.52 850.54 913.40 949.05 990.15 1009.26 1019.54 1022.03 1047.42 1097.61 1123.89 1130.01 1156.52 1164.96 1186.03 1199.28 1236.18 1263.98 1294.13 1301.07 1322.29 1352.33 1382.69 1390.40 1468.80 1471.59 1502.24 1515.77 1539.80 1563.03 1588.37 1592.92 1609.25 1632.99 1665.93 1687.95 1721.56 1724.96 1735.79 1739.06 1788.52 1836.26 1843.85 1856.16 1859.87 1861.28 1862.74 1876.96 1877.92 1878.65 1906.56 1912.54 1915.44 1933.61 1943.46 1959.21 1999.93 2001.60 2020.39 2022.24 2078.43 2105.32 2117.59 2144.21 2164.60 2173.11 2198.07 2273.94 2283.45 2308.77 2335.46 2343.56 2346.80 2355.20 2362.92 2370.58 2374.66 2376.85 2376.95 2380.98 2386.43 2387.66 2389.39 2389.48 2395.54 2424.32 2446.36 2456.32 2489.99 2572.71 2577.58 2595.69 2604.78 2639.05 2693.75 2837.69 4610.40 4614.92 4623.08 4625.85 4628.53 4687.10 4693.89 4697.76 4704.88 4716.84 4724.33 4766.11 4766.66 4786.71 4790.24 4790.68 4833.05 4871.55 4880.53 4884.27 4901.05 5029.42 5378.40 5431.25 5521.28 5566.64 0.508340 0.540097 0.541041 0.438577 -1908.262981 -1908.231224 -1908.230280 -1908.332744 3.436659D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE COc1ccc(cc1)NCc2nnc(n2N)SCC(=O)Nc3cc(c(c(c3)OC)OC)OC C59312119 RHF 6-31G(d) (6D,10F) C1 474.168540 |X|Y|Z| 44.339287 24.300655 198.015637 59.754240 23 6 7 16 17 5 1 |36.858105| |13.628980|73.516695| |8.023820|25.060344|36.858105| |5.257410|14.543204|13.641442|36.858105| |3.989679|9.413743|7.926441|13.892392|36.858105| |3.774255|8.152909|6.789749|7.890500|13.606178|36.858105| |4.502377|9.206597|7.914735|6.909010|7.997356|13.810272|36.858105| |6.718599|13.972875|13.827275|7.974925|6.906184|7.878199|13.635598|36.858105| |2.953069|6.083944|4.513636|5.172090|7.896668|13.447843|7.710036|5.091330|53.358707| |2.672345|5.238210|3.717310|3.900545|5.095944|7.710370|6.570384|4.433944|17.876875|36.858105| |2.219725|4.314515|2.931054|3.131853|3.960053|5.101482|4.362932|3.307654|10.784738|12.752966|36.858105| |1.999720|3.841423|2.549526|2.701154|3.297533|4.027418|3.579068|2.839214|7.581426|7.689566|14.899300|53.358707| |1.781863|3.414908|2.223796|2.371723|2.842742|3.300997|2.938597|2.419239|5.920132|5.287515|8.886031|18.924020|53.358707| |1.812241|3.495786|2.282204|2.458316|2.970853|3.420537|2.993395|2.464351|6.205176|5.294452|8.853656|12.106785|20.173924|36.858105| |2.064247|4.021615|2.687354|2.910446|3.631847|4.373037|3.717512|2.945386|8.573528|7.553320|13.952495|11.986716|11.981725|14.070514|53.358707| |2.136842|4.193449|2.799494|3.058853|3.800953|4.432254|3.744943|3.022777|8.104746|6.161191|7.643587|7.380828|7.426708|7.838003|18.747209|53.358707| |1.606821|3.085692|1.970948|2.123725|2.492134|2.736635|2.433875|2.082959|4.617408|3.653014|4.952133|6.708086|9.468520|10.857057|9.513054|8.357194|388.023441| |1.447754|2.754425|1.738315|1.854749|2.137713|2.330551|2.113414|1.834876|3.831503|3.068197|4.034208|6.134966|9.069075|7.157288|6.510094|5.474228|74.736747|36.858105| |1.314206|2.490175|1.551490|1.651164|1.870602|2.000169|1.831558|1.621161|3.188170|2.491090|3.084585|4.514731|5.922915|4.698908|4.888935|4.447262|49.659632|12.533115|36.858105| |1.298913|2.463715|1.529698|1.631020|1.839669|1.949368|1.784267|1.589453|3.076787|2.366730|2.870589|4.043661|5.093994|4.245645|4.647928|4.451189|47.461024|7.987227|15.925516|73.516695| |1.225728|2.310455|1.429704|1.513048|1.697176|1.807700|1.671574|1.492126|2.840772|2.221987|2.690420|4.021395|5.094163|3.768373|4.067099|3.678062|34.092081|7.955678|14.007312|14.911594|53.358707| |1.126203|2.114768|1.297085|1.368169|1.516786|1.599440|1.489923|1.346171|2.468639|1.909896|2.245710|3.300391|3.989227|2.960658|3.351279|3.112261|25.902420|5.045953|7.608325|11.494037|18.389643|36.858105| |1.090930|2.048207|1.250941|1.320144|1.455935|1.523947|1.420982|1.292048|2.331859|1.785079|2.070259|2.970828|3.524045|2.692248|3.124892|2.984634|24.062789|4.222211|6.295508|11.677603|10.564757|13.762663|36.858105| |1.010664|1.890685|1.146935|1.206120|1.318352|1.371979|1.287338|1.180660|2.073608|1.579592|1.799379|2.570995|2.974929|2.250270|2.675833|2.576419|19.303168|3.237527|4.316931|7.965540|6.996643|7.972424|13.680041|36.858105| |0.968737|1.807046|1.093423|1.146159|1.248337|1.299533|1.224730|1.126276|1.955899|1.493841|1.691591|2.440302|2.795878|2.070710|2.472783|2.357654|17.140239|2.909553|3.668025|6.397414|6.191195|6.852680|7.857009|13.711306|36.858105| |0.994351|1.854574|1.125337|1.178832|1.288029|1.347508|1.269886|1.163149|2.038022|1.567415|1.786775|2.618586|3.018680|2.190657|2.585764|2.423687|17.813598|3.151318|3.894737|6.385169|7.084134|7.931500|6.834387|7.951105|13.695335|36.858105| |1.070161|2.001843|1.222641|1.284110|1.414840|1.490080|1.397166|1.268791|2.280764|1.767059|2.050567|3.044887|3.597375|2.590776|2.982491|2.752093|21.328696|4.035574|5.162112|7.870385|10.903960|13.701318|7.893703|6.883137|7.899702|13.726667|36.858105| |0.946624|1.760084|1.063964|1.110769|1.207283|1.260993|1.194315|1.099038|1.893752|1.455825|1.641715|2.411703|2.732877|1.958900|2.341732|2.192048|15.462677|2.677418|3.129403|5.134566|5.415986|5.208841|4.613726|5.304262|8.223872|14.178144|7.905742|73.516695| |0.958383|1.779480|1.076711|1.121681|1.219685|1.278591|1.213764|1.115347|1.921626|1.485397|1.674902|2.490782|2.808927|1.974283|2.356837|2.180134|15.192163|2.659277|2.981405|4.764762|5.153583|4.527310|3.791891|3.993752|5.267128|8.017029|6.757956|24.216946|36.858105| |0.906637|1.686382|1.015111|1.061067|1.147914|1.190020|1.126732|1.042961|1.775022|1.350356|1.509887|2.164780|2.439647|1.805495|2.191549|2.105284|14.676711|2.410979|2.916079|5.160863|4.677147|4.605892|5.200873|7.984124|14.040207|7.993064|5.219040|12.727365|4.697695|73.516695| |0.881221|1.641820|0.985615|1.033105|1.114828|1.147949|1.084353|1.007460|1.705324|1.286284|1.429453|2.043084|2.285032|1.691099|2.068198|1.994038|13.633559|2.205701|2.618946|4.658302|4.107572|3.859742|4.291010|5.977597|8.157049|5.946485|4.288676|10.348870|4.147272|24.104229|36.858105| |0.974255|1.820893|1.099891|1.155896|1.256628|1.300362|1.222677|1.127961|1.949705|1.474691|1.660574|2.340911|2.670715|2.042917|2.474832|2.423074|17.460685|2.780983|3.570608|6.900470|5.340581|5.231968|7.922292|14.193427|8.240513|5.307843|4.637509|7.318920|3.220854|12.720982|5.882760|73.516695| |1.003918|1.879770|1.136107|1.196273|1.301396|1.343951|1.260843|1.163249|2.014625|1.516834|1.706292|2.373931|2.707167|2.112332|2.577315|2.564579|18.443828|2.820964|3.628067|7.469204|5.053591|4.549259|6.791233|8.015404|5.269169|3.993288|3.807003|5.722925|2.667915|8.341064|4.180665|24.161218|36.858105| |17.552145|16.444142|7.044463|4.760445|3.796510|3.724767|4.565053|6.724454|4.008923|2.710630|2.247805|2.734790|2.442985|1.837848|2.865134|2.996754|11.617422|1.462783|1.328834|2.341679|1.681864|1.135062|1.101835|1.020005|0.975611|0.999614|1.075891|1.688893|0.960086|1.622885|0.885003|1.750285|1.016996|0.500000| |17.552941|16.444868|7.051552|4.767635|3.798596|3.727522|4.570142|6.722236|4.005875|2.714823|2.241787|2.776632|2.452244|1.810352|2.792635|2.840796|11.317862|1.447265|1.309060|2.286980|1.668962|1.125383|1.085338|1.005688|0.967216|0.996398|1.073412|1.690470|0.966331|1.608910|0.878960|1.718373|0.992238|0.298954|0.500000| |17.644595|17.002877|5.881125|4.411194|3.413852|3.170753|3.609804|4.899231|3.493504|2.332635|1.982864|2.456509|2.214596|1.655232|2.536302|2.628724|10.567045|1.346693|1.231750|2.169490|1.569164|1.064826|1.034439|0.962188|0.923420|0.945910|1.013976|1.604143|0.912560|1.541235|0.844673|1.653522|0.958246|0.299991|0.299972|0.500000| |4.870318|13.467639|8.941423|17.735096|8.934469|5.616934|4.972122|5.678415|5.706329|3.264852|2.744068|3.284971|2.944738|2.246257|3.543938|3.741106|14.105546|1.744450|1.570301|2.769727|1.965404|1.314220|1.273526|1.168488|1.110865|1.139133|1.235302|1.910983|1.083197|1.833873|1.008566|1.997957|1.163882|0.119849|0.120013|0.121151|0.500000| |3.334137|7.612870|5.642747|8.983386|17.701182|8.892850|5.674358|4.968069|9.950664|4.702923|3.936179|4.509086|3.978888|3.089029|5.076654|5.344800|18.651188|2.236470|1.959633|3.435454|2.409629|1.579870|1.518497|1.371607|1.295075|1.334647|1.468172|2.217515|1.256976|2.112740|1.157875|2.323971|1.356001|0.088273|0.088251|0.082181|0.215597|0.500000| |3.922330|7.459170|5.666327|4.973778|5.653974|8.901913|17.746921|8.973348|9.464144|7.357673|4.688332|5.243947|4.215227|3.110891|5.257042|5.146098|17.705462|2.176285|1.873283|3.225407|2.331162|1.521553|1.444925|1.307081|1.245565|1.295510|1.428936|2.167045|1.242330|2.034500|1.096341|2.200294|1.273402|0.113317|0.113565|0.089188|0.107905|0.124102|0.500000| |7.423120|12.446677|8.899288|5.646155|4.972949|5.646859|8.950955|17.758404|5.642032|3.884203|2.980768|3.552988|3.049205|2.265736|3.625041|3.696330|13.748079|1.722081|1.530419|2.666388|1.928323|1.283924|1.233011|1.131067|1.081967|1.117300|1.214879|1.882617|1.076003|1.786390|0.969355|1.923285|1.113857|0.223406|0.223061|0.145377|0.124319|0.107843|0.219584|0.500000| |2.741622|5.675148|4.090643|4.858273|7.342834|9.511476|5.983591|4.372686|25.913582|9.387021|7.405798|7.815326|6.144245|4.591379|8.060263|7.225757|24.285442|2.896113|2.398672|4.081442|2.923750|1.861569|1.748523|1.553391|1.469133|1.537028|1.724759|2.541335|1.454511|2.365968|1.283619|2.586774|1.497064|0.074559|0.076349|0.067205|0.113845|0.213636|0.150111|0.100571|0.500000| |2.681248|5.168832|3.627246|3.689826|4.604963|6.699926|6.382671|4.411842|12.136497|17.542079|9.086501|10.022330|6.630819|4.504355|7.691985|6.280566|22.798099|2.843192|2.325740|3.886408|2.882479|1.830796|1.699532|1.513849|1.445182|1.525850|1.716319|2.539768|1.469596|2.329867|1.249299|2.506019|1.438223|0.074782|0.077486|0.064901|0.086144|0.116218|0.211679|0.110150|0.213721|0.500000| |2.761606|5.318225|3.756314|3.785742|4.719875|7.035408|6.881504|4.645707|12.542746|17.564102|8.996493|8.148798|6.206133|4.766714|9.218927|8.474051|24.722514|2.880984|2.382445|4.076108|2.886207|1.837474|1.732749|1.538457|1.450972|1.513274|1.696403|2.497933|1.427538|2.339642|1.249787|2.568119|1.493150|0.079725|0.077365|0.066538|0.087754|0.117614|0.234746|0.115841|0.182074|0.301717|0.500000| |2.182369|4.225580|2.811444|2.985079|3.610808|4.292815|3.825094|3.097465|7.375219|5.952815|6.704914|6.620398|6.473694|6.306552|13.222712|25.903157|36.946490|3.608031|3.003301|5.373107|3.428861|2.158046|2.080838|1.810648|1.660762|1.702238|1.919443|2.747493|1.536994|2.650668|1.407022|3.042994|1.813970|0.063346|0.059120|0.054593|0.073999|0.099945|0.110077|0.078436|0.128483|0.125555|0.187463|0.500000| |2.326960|4.662216|3.169032|3.572008|4.622160|5.322046|4.221071|3.369037|9.961610|6.474729|7.020694|6.746657|6.429713|6.143240|13.305552|25.905183|35.110078|3.489329|2.903576|5.173577|3.337113|2.104748|2.025675|1.767922|1.626553|1.669737|1.880382|2.702670|1.514119|2.599058|1.395874|2.971455|1.765671|0.066262|0.062633|0.058146|0.088441|0.135532|0.113546|0.081963|0.177285|0.131828|0.175935|0.323909|0.500000| |1.459785|2.789864|1.762975|1.894642|2.193727|2.376792|2.133887|1.851348|3.927524|3.102651|4.079772|6.444412|9.576676|6.784256|6.290876|5.169093|56.368653|17.609877|8.861988|10.964586|9.721905|4.731083|3.881715|3.058239|2.815789|3.104127|3.978080|4.763235|2.706508|4.172185|2.182602|4.662417|2.618447|0.040694|0.040655|0.037737|0.049615|0.064285|0.060637|0.048046|0.084524|0.080854|0.078900|0.093036|0.094583|0.500000| |1.441523|2.721444|1.716686|1.809472|2.074271|2.293076|2.114249|1.831895|3.752124|3.103278|4.085868|6.437174|9.545089|6.786516|6.309901|5.181709|56.356628|17.608449|8.864285|10.978269|9.708247|4.727580|3.887400|3.060895|2.815517|3.098692|3.966872|4.750760|2.702410|4.178203|2.125660|4.667869|2.628780|0.040563|0.040227|0.037176|0.047012|0.059427|0.061342|0.048127|0.077852|0.081183|0.081687|0.098034|0.091167|0.303572|0.500000| |1.239522|2.333523|1.446421|1.527342|1.715600|1.837510|1.702681|1.515272|2.896842|2.288193|2.785986|4.283640|5.465026|3.840381|4.107477|3.622387|32.208320|7.843776|9.495882|10.883893|26.061514|9.351778|5.767192|4.303634|4.090277|4.949113|7.730582|7.091093|4.022255|5.655672|2.823136|5.983214|3.145546|0.034634|0.034595|0.032336|0.040376|0.049559|0.048656|0.040003|0.061161|0.061276|0.060158|0.068918|0.067314|0.216046|0.215314|0.500000| |1.128480|2.123977|1.299684|1.375369|1.520893|1.590471|1.477424|1.341089|2.440038|1.860391|2.163796|3.061347|3.645879|2.863195|3.328559|3.227674|26.717371|4.467639|6.930075|15.244926|9.625842|8.958931|17.882344|8.865871|5.613519|4.944675|5.644231|6.520071|3.139960|7.474488|3.633812|12.598702|7.567212|0.031728|0.031080|0.029697|0.036849|0.044167|0.041644|0.035464|0.050629|0.048721|0.050363|0.062389|0.060525|0.110598|0.110936|0.144279|0.500000| |1.089503|2.036580|1.246099|1.306874|1.442323|1.525661|1.432218|1.297098|2.341681|1.826412|2.126655|3.212388|3.797627|2.662173|3.047045|2.766806|21.191428|4.106838|4.856446|7.105751|10.100700|8.918850|5.636645|4.960535|5.625503|8.887940|17.758531|12.594510|7.539960|7.488373|3.624883|6.537378|3.146697|0.030371|0.030465|0.028633|0.034836|0.041489|0.040810|0.034517|0.049374|0.049677|0.048419|0.053541|0.052575|0.116040|0.115438|0.239006|0.124419|0.500000| |0.987251|1.838727|1.114690|1.165610|1.271309|1.330762|1.257207|1.152822|2.006918|1.546656|1.750412|2.620858|2.964672|2.066902|2.454920|2.256035|15.801081|2.798771|3.098388|4.878471|5.392448|4.578944|3.726621|3.780680|4.734959|6.992879|6.745259|16.431146|17.555725|7.328845|3.833487|5.426963|2.575322|0.027401|0.027671|0.026095|0.031281|0.036517|0.035664|0.030802|0.042465|0.042562|0.040998|0.043883|0.043658|0.081050|0.078184|0.119902|0.086592|0.227992|0.500000| |0.980207|1.816149|1.101061|1.143155|1.244710|1.313308|1.251137|1.146336|1.978783|1.543912|1.747600|2.614204|2.957177|2.063885|2.452587|2.254925|15.792108|2.796538|3.101342|4.887795|5.399597|4.601901|3.755044|3.818374|4.795260|7.065527|6.764710|16.445256|17.561787|7.454163|3.579609|5.475061|2.599315|0.027327|0.027495|0.025874|0.030551|0.035495|0.035748|0.030778|0.041455|0.042522|0.041311|0.044342|0.043259|0.078160|0.080841|0.119766|0.087151|0.225051|0.298761|0.500000| |0.913097|1.691259|1.019399|1.059361|1.146116|1.198110|1.141724|1.054326|1.788293|1.378479|1.538691|2.277253|2.532880|1.781178|2.152517|2.001076|13.556980|2.313920|2.550845|4.144868|4.243551|3.626509|3.184718|3.419392|4.428633|5.889951|4.921320|17.024235|17.647611|7.632088|3.941609|5.123979|2.409764|0.025390|0.025593|0.024205|0.028474|0.032749|0.032437|0.028323|0.037564|0.038013|0.036874|0.039325|0.038791|0.065448|0.065363|0.091170|0.075178|0.146984|0.300100|0.300057|0.500000| |0.840150|1.561373|0.934273|0.976570|1.049243|1.078968|1.023170|0.954325|1.594182|1.201664|1.325928|1.888703|2.093877|1.548783|1.910579|1.848974|12.364474|1.971124|2.298212|4.102500|3.539309|3.210899|3.530405|4.674207|5.908489|4.663137|3.531387|8.589930|3.652960|16.899723|17.622247|8.638248|3.669929|0.023446|0.023278|0.022411|0.026516|0.030198|0.028738|0.025568|0.033257|0.032485|0.032529|0.036401|0.036044|0.054091|0.053154|0.068255|0.085785|0.085684|0.092842|0.089077|0.100463|0.500000| |0.894805|1.671326|1.003472|1.055263|1.139611|1.169281|1.100553|1.022774|1.737514|1.303393|1.448753|2.058525|2.305751|1.722398|2.110116|2.047913|14.037258|2.243342|2.689213|4.881717|4.131176|3.851890|4.491737|6.292543|7.214617|5.171055|4.030236|8.366849|3.550482|16.445136|17.573133|12.080968|4.818769|0.024962|0.024734|0.023835|0.028671|0.032987|0.030814|0.027275|0.036351|0.035007|0.035175|0.040024|0.039887|0.061594|0.059236|0.077535|0.108376|0.094123|0.094386|0.087101|0.092451|0.299702|0.500000| |0.886514|1.653120|0.992922|1.041974|1.125393|1.158283|1.092585|1.014442|1.722378|1.298460|1.444044|2.076598|2.320968|1.702436|2.076828|1.988688|13.584566|2.221977|2.605681|4.544321|4.145180|3.849328|4.035066|5.202921|7.212732|6.238405|4.478331|11.839717|4.741347|16.444265|17.565356|8.453759|3.582381|0.024675|0.024605|0.023600|0.028263|0.032504|0.030670|0.027091|0.036165|0.035152|0.034882|0.038845|0.038770|0.061986|0.059481|0.080669|0.094449|0.107813|0.124435|0.108135|0.126300|0.299699|0.298688|0.500000| |1.030859|1.927060|1.167163|1.225364|1.335178|1.387088|1.304811|1.200450|2.084614|1.580733|1.784850|2.476747|2.836337|2.229221|2.713690|2.707042|19.716351|2.993677|3.884222|8.185953|5.282330|4.625609|6.804715|7.063421|4.794381|3.816239|3.768580|5.469774|2.598630|7.442179|3.600379|16.433033|17.575561|0.029098|0.028298|0.027277|0.032993|0.038506|0.036747|0.031972|0.042785|0.041518|0.043461|0.053533|0.051299|0.075363|0.078243|0.090491|0.226403|0.087318|0.069289|0.071902|0.064969|0.089370|0.109483|0.087625|0.500000| |1.039873|1.955981|1.184543|1.254624|1.369801|1.408888|1.312469|1.208721|2.119249|1.584023|1.788153|2.479591|2.840340|2.235952|2.721781|2.719227|19.831307|3.000195|3.899183|8.280178|5.275409|4.606766|6.790594|7.001472|4.742363|3.784288|3.744537|5.429589|2.577047|7.329142|3.865105|16.419571|17.571277|0.029217|0.028501|0.027560|0.033965|0.039879|0.036667|0.032015|0.043915|0.041529|0.043128|0.052932|0.052152|0.077881|0.075783|0.090216|0.229030|0.086854|0.070620|0.069343|0.064443|0.093298|0.126237|0.095399|0.299156|0.500000| 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