Version2.0 2020-07-18T10:40:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(c(c1)C(=O)Nc2ccc(cc2)N3CCC(CC3)[NH2+]C[C@@H]4CCCN(C4)c5ncccn5)F C20654107 RHF 6-31G(d) (6D,7F) c1ccc(c(c1)C(=O)Nc2ccc(cc2)N3CCC(CC3)[NH2+]C[C@@H]4CCCN(C4)c5ncccn5)F C01[X(C28H34F1N6O1)] 204 C1 608 O=C(c1ccccc1F)Nc1ccc(cc1)N1CCC(CC1)[NH2+]C[C@@H]1CCCN(C1)c1ncccn1 O=C(c1ccccc1F)Nc1ccc(cc1)N1CCC(CC1)[NH2+]C[C@@H]1CCCN(C1)c1ncccn1 Fc1ccccc1C(=O)Nc2ccc(cc2)N3CCC(CC3)[NH2+]C[C@@H]4CCCN(C4)c5ncccn5 InChIKey=GPGLMJKJLWTYGM-NRFANRHFSA-O InChI=1S/C28H33FN6O/c29-26-7-2-1-6-25(26)27(36)33-23-8-10-24(11-9-23)34-17-12-22(13-18-34)32-19-21-5-3-16-35(20-21)28-30-14-4-15-31-28/h1-2,4,6-11,14-15,21-22,32H,3,5,12-13,16-20H2,(H,33,36)/p+1/t21-/m0/s1 InChI=1/C28H33FN6O/c29-26-7-2-1-6-25(26)27(36)33-23-8-10-24(11-9-23)34-17-12-22(13-18-34)32-19-21-5-3-16-35(20-21)28-30-14-4-15-31-28/h1-2,4,6-11,14-15,21-22,32H,3,5,12-13,16-20H2,(H,33,36)/p+1/t21-/m0/s1/fC28H34FN6O/h32-33H/q+1 c1ccc(c(c1)C(=O)Nc2ccc(cc2)N3CCC(CC3)[NH2+]C[C@@H]4CCCN(C4)c5ncccn5)F C01[X(C28H34F1N6O1)] 204 C01 608 O=C(c1ccccc1F)Nc1ccc(cc1)N1CCC(CC1)[NH2+]C[C@@H]1CCCN(C1)c1ncccn1 O=C([C]1[CH][CH][CH][CH][C]1F)N[C]1[CH][CH][C]([CH][CH]1)[N@@]1CC[C@H](CC1)[NH2]C[C@@H]1CCC[N@@](C1)[C]1[N][CH][CH][CH][N]1 F[C]1[CH][CH][CH][CH][C]1C(=O)N[C]2[CH][CH][C]([CH][CH]2)N3CCC(CC3)[NH2]C[C@@H]4CCCN(C4)[C]5[N][CH][CH][CH][N]5 InChIKey=SWTNELNQIOCPRL-NRFANRHFSA-N InChI=1S/C28H34FN6O/c29-26-7-2-1-6-25(26)27(36)33-23-8-10-24(11-9-23)34-17-12-22(13-18-34)32-19-21-5-3-16-35(20-21)28-30-14-4-15-31-28/h1-2,4,6-11,14-15,21-22H,3,5,12-13,16-20,32H2,(H,33,36)/t21-/m0/s1 InChI=1/C28H34FN6O/c29-26-7-2-1-6-25(26)27(36)33-23-8-10-24(11-9-23)34-17-12-22(13-18-34)32-19-21-5-3-16-35(20-21)28-30-14-4-15-31-28/h1-2,4,6-11,14-15,21-22H,3,5,12-13,16-20,32H2,(H,33,36)/t21-/m0/s1/f/h33H 3409.7297530027 -1580.9358338 1-A 47934.1594 130 478 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.36411 -20.59501 -15.84503 -15.67410 -15.66856 -15.65834 -15.64284 -15.63766 -11.43972 -11.43574 -11.43296 -11.42357 -11.38882 -11.37372 -11.37315 -11.37063 -11.37052 -11.36750 -11.36698 -11.36641 -11.36635 -11.35823 -11.34227 -11.33953 -11.33645 -11.31883 -11.31460 -11.31194 -11.30910 -11.30837 -11.30585 -11.30525 -11.30465 -11.29437 -11.29428 -11.29420 -1.68449 -1.48078 -1.46533 -1.42698 -1.35732 -1.34002 -1.32636 -1.27943 -1.24497 -1.23008 -1.21992 -1.19632 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 4895.1955 85634.1395 89021.8146 1.00000 -0.00005 0.00211 0.00004 0.99998 0.00605 -0.00211 -0.00605 0.99998 1 0.01769 0.00101 0.00097 0.36868 0.02108 0.02027 9.05 15.88 19.17 29.13 37.19 44.37 53.29 59.15 68.64 89.08 105.44 114.84 152.71 166.81 190.37 234.59 261.30 266.47 292.82 304.04 308.22 341.04 371.48 389.85 401.76 423.56 457.22 491.14 502.05 532.43 556.55 583.29 617.43 656.74 661.33 665.35 674.02 680.56 701.75 711.39 720.03 751.37 762.14 793.39 809.32 828.65 834.93 856.76 868.42 890.74 902.93 974.86 1003.88 1011.40 1017.69 1052.12 1133.53 1160.24 1173.30 1195.52 1223.97 1230.74 1251.57 1279.81 1281.61 1292.45 1303.11 1310.15 1312.15 1335.17 1338.26 1350.43 1384.71 1396.09 1415.21 1425.47 1426.04 1448.53 1459.71 1489.61 1513.03 1526.29 1537.70 1545.46 1565.84 1571.62 1576.72 1592.64 1596.77 1607.64 1617.28 1621.57 1624.13 1634.45 1639.53 1648.81 1664.23 1695.73 1697.14 1711.28 1723.26 1725.34 1738.45 1747.33 1779.28 1785.94 1787.32 1822.16 1827.50 1844.70 1845.39 1849.69 1875.62 1884.33 1905.21 1914.59 1930.32 1958.50 1971.37 1983.23 1999.21 2020.39 2022.96 2025.38 2045.93 2047.78 2062.96 2070.39 2090.27 2098.25 2108.80 2119.02 2130.28 2141.04 2172.70 2175.88 2184.55 2192.36 2209.69 2213.40 2220.67 2237.07 2246.74 2252.91 2270.12 2282.24 2304.59 2330.32 2331.76 2334.63 2344.99 2348.46 2359.60 2365.53 2372.11 2374.45 2376.08 2391.79 2398.02 2405.14 2434.49 2459.28 2558.09 2566.00 2575.30 2611.22 2612.29 2618.17 2624.93 2849.97 4505.78 4514.73 4519.52 4564.40 4584.83 4597.34 4610.71 4624.06 4630.93 4667.40 4670.84 4694.95 4701.74 4708.89 4722.63 4748.87 4752.80 4779.58 4814.93 4819.98 4846.39 4848.91 4850.71 4857.54 4863.21 4865.44 4866.90 4887.43 4903.68 4927.89 4993.29 5280.69 5373.80 5580.76 0.642538 0.672360 0.673305 0.573542 -1580.293296 -1580.263473 -1580.262529 -1580.362291 3.346034D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE c1ccc(c(c1)C(=O)Nc2ccc(cc2)N3CCC(CC3)[NH2+]C[C@@H]4CCCN(C4)c5ncccn5)F C20654107 RHF 6-31G(d) (6D,10F) C1 489.277813 |X|Y|Z| 49.491950 24.765870 211.828272 63.795595 34 6 7 28 6 |36.858105| |13.744199|36.858105| |7.924698|13.762801|36.858105| |6.916958|8.003310|13.823912|36.858105| |7.885467|6.840027|7.879298|13.748168|36.858105| |13.770233|7.960111|6.879426|8.005577|13.688479|36.858105| |5.014029|4.444539|5.029879|7.599831|12.682884|7.539536|36.858105| |4.072022|3.805780|4.415087|6.379465|8.045785|5.458685|15.956941|73.516695| |4.430085|3.793213|4.030579|5.363327|7.926088|6.426544|13.903037|14.948571|53.358707| |3.361708|2.965158|3.129517|3.925278|5.054775|4.414745|7.632187|11.637025|18.483121|36.858105| |2.886398|2.618378|2.803484|3.482545|4.228738|3.645662|6.281989|11.778965|10.515944|13.686529|36.858105| |2.407404|2.206991|2.334120|2.787588|3.243999|2.915401|4.318719|8.034950|6.987501|7.941660|13.758746|36.858105| |2.263742|2.065829|2.150617|2.511354|2.905595|2.697149|3.663837|6.440145|6.173058|6.805055|7.875904|13.763414|36.858105| |2.474797|2.225751|2.289722|2.666151|3.141028|2.971829|3.891595|6.430100|7.071841|7.895973|6.864946|7.996099|13.717614|36.858105| |3.006432|2.650442|2.727434|3.253751|4.009455|3.760970|5.148913|7.924314|10.861346|13.669563|7.939943|6.930877|7.924100|13.798581|36.858105| |1.935974|1.787567|1.853049|2.117729|2.385743|2.244426|2.882803|5.145034|4.600860|4.499089|5.128140|7.846081|13.270515|7.686762|5.099796|53.358707| |1.793316|1.678574|1.748941|1.981379|2.185210|2.047644|2.582465|4.588683|4.063187|3.793026|4.118538|5.554205|7.842447|6.116728|4.345595|17.889180|36.858105| |1.577069|1.487650|1.546538|1.729585|1.880098|1.773395|2.178188|3.920652|3.317555|2.959740|3.246302|4.178026|5.100080|4.165181|3.245373|10.653703|12.453687|36.858105| |1.509193|1.413858|1.452504|1.609355|1.758550|1.687742|2.011823|3.594166|3.063872|2.694901|2.903657|3.645485|4.453017|3.794292|2.981971|9.056716|7.600968|12.474816|36.858105| |1.605171|1.488360|1.520934|1.691979|1.874183|1.810011|2.163949|3.873049|3.312046|2.952896|3.233663|4.157783|5.089408|4.168349|3.243912|10.618875|6.550537|7.545849|12.483117|36.858105| |1.833700|1.680128|1.714425|1.928721|2.177505|2.102901|2.561670|4.519583|4.056791|3.783722|4.100039|5.522215|7.835556|6.139332|4.347645|17.896352|7.905326|6.574752|7.615932|12.438800|36.858105| |1.356130|1.280021|1.315304|1.445327|1.561090|1.500254|1.763545|3.176563|2.629372|2.251843|2.433275|2.950237|3.365035|2.928804|2.423612|6.135867|4.973472|7.713713|12.566492|7.600711|4.947283|53.358707| |1.353217|1.279912|1.319528|1.453332|1.566960|1.498942|1.777796|3.235531|2.625954|2.247886|2.475527|3.018639|3.333955|2.832861|2.371554|6.023887|4.672960|7.049274|9.197491|7.146164|4.703264|25.675779|0.500000| |1.312547|1.245718|1.283923|1.407810|1.509827|1.446226|1.697729|3.056701|2.521834|2.143280|2.300460|2.751484|3.115432|2.755102|2.304764|5.512176|4.751025|7.496649|9.230599|5.673829|4.191284|25.704266|0.330215|0.500000| |1.272913|1.199311|1.222831|1.331989|1.437718|1.397456|1.603377|2.871896|2.380995|2.005200|2.131919|2.512431|2.833504|2.554750|2.159655|4.878699|3.750771|4.928353|7.381736|6.043608|4.156319|17.224712|0.256315|0.256731|36.858105| |1.162652|1.102860|1.126135|1.219912|1.304630|1.266786|1.443115|2.597953|2.114420|1.753416|1.865635|2.155950|2.359475|2.143890|1.859040|3.901427|3.011544|3.846094|4.873916|4.190835|3.161320|10.342023|0.195579|0.200171|12.468037|36.858105| |1.161439|1.104057|1.130983|1.227583|1.310344|1.266892|1.454182|2.637853|2.116411|1.755205|1.890565|2.190780|2.355346|2.108059|1.837508|3.886100|2.961322|3.800223|4.601436|4.095157|3.088817|9.708907|0.216210|0.185569|8.896719|17.490159|0.500000| |1.101297|1.043414|1.059342|1.140360|1.219018|1.193097|1.336536|2.398001|1.951252|1.599994|1.686801|1.916448|2.081212|1.924348|1.693247|3.341897|2.513229|3.020915|3.745667|3.486495|2.749827|6.739213|0.130544|0.128730|7.593799|12.408811|0.247137|36.858105| |1.017368|0.969172|0.985249|1.056124|1.121004|1.095944|1.221654|2.198300|1.767749|1.434856|1.511798|1.696085|1.813216|1.684642|1.504391|2.851612|2.155308|2.550407|2.979706|2.776384|2.280041|5.163916|0.103807|0.103836|4.926634|7.564731|0.191738|12.447291|36.858105| |0.988779|0.945731|0.963776|1.031791|1.090057|1.062743|1.185035|2.129541|1.714059|1.387695|1.455645|1.627065|1.743026|1.629601|1.458189|2.730486|2.113930|2.511633|2.848547|2.555841|2.138760|4.907787|0.096755|0.104538|4.392993|6.511372|0.161354|7.522134|12.478242|36.858105| |1.034213|0.990593|1.014203|1.090622|1.151587|1.115839|1.259261|2.268888|1.824572|1.487000|1.568857|1.769755|1.901403|1.760599|1.563263|3.019373|2.387231|2.929054|3.273596|2.816142|2.327603|5.915206|0.116539|0.133249|5.010126|7.810235|0.198060|6.625130|7.799303|13.074604|53.358707| |1.115718|1.064095|1.089297|1.176782|1.249974|1.210528|1.375631|2.471055|2.011965|1.657864|1.749495|2.001272|2.190288|2.017837|1.761735|3.566759|2.864046|3.650337|4.276868|3.484038|2.785207|8.394120|0.153434|0.197215|7.490959|12.406039|0.247266|7.586640|6.571622|7.815193|17.998221|36.858105| |1.001214|0.963919|0.990477|1.063951|1.116660|1.077616|1.218496|2.201231|1.756107|1.424283|1.503606|1.685158|1.793688|1.663161|1.488544|2.814292|2.248748|2.732793|2.904849|2.495990|2.116877|5.031965|0.101253|0.116376|3.895823|5.256394|0.145317|4.503061|5.219218|7.696599|18.882313|7.788501|36.858105| |0.936720|0.904109|0.927916|0.992371|1.037639|1.003447|1.125512|2.033743|1.613223|1.297487|1.365328|1.513608|1.597124|1.491246|1.349313|2.465135|1.945292|2.298433|2.423746|2.143783|1.852858|4.031585|0.081930|0.090247|3.142690|4.063132|0.113678|3.817784|4.716880|6.908103|11.252850|5.250870|14.370145|53.358707| |0.908142|0.880149|0.905647|0.967179|1.006321|0.970566|1.088925|1.971056|1.553832|1.244013|1.308590|1.441741|1.510662|1.413528|1.287749|2.308137|1.828018|2.133992|2.191928|1.945638|1.710433|3.548463|0.072643|0.079673|2.671532|3.271053|0.092801|3.042455|3.571600|4.676817|7.412840|4.059424|8.461435|19.696076|36.858105| |0.933054|0.906606|0.936574|1.002322|1.040213|0.998465|1.128024|2.045493|1.608490|1.289458|1.359175|1.499000|1.567919|1.463371|1.332805|2.394747|1.921491|2.251305|2.251821|1.973177|1.746936|3.611351|0.074145|0.082635|2.615337|3.097442|0.088499|2.768661|3.077718|3.831907|6.412684|3.854755|7.133529|10.924030|13.768371|36.858105| |0.999682|0.969351|1.003208|1.078743|1.123109|1.074888|1.225542|2.222650|1.756467|1.419670|1.501761|1.673410|1.762955|1.633923|1.473516|2.730357|2.227677|2.677834|2.651827|2.260785|1.979768|4.340611|0.088749|0.102854|3.053268|3.608630|0.103084|3.051879|3.260841|4.029749|7.401290|4.700058|8.451744|9.646946|8.177221|13.815294|36.858105| |1.039752|1.003125|1.035344|1.115913|1.169180|1.121898|1.280856|2.318219|1.847369|1.504093|1.593105|1.793588|1.910246|1.761963|1.571489|3.011323|2.459974|3.041330|3.109934|2.598487|2.217256|5.359597|0.108123|0.130270|3.837736|4.788948|0.134884|3.840153|4.059607|5.202813|11.229741|6.965250|14.342585|11.000050|7.081978|8.022719|14.424445|53.358707| |4.674034|5.323947|8.214573|14.411143|8.142230|5.305334|6.795968|11.804789|6.635958|3.813401|3.540052|2.850022|2.528797|2.625953|3.134505|2.919048|2.028367|1.775485|1.630165|1.698927|1.921975|1.999757|0.041204|0.039936|1.343702|1.235171|0.034656|1.148176|1.066319|1.045177|1.510929|1.196068|1.088145|1.380669|0.992021|1.032714|1.112996|1.560990|97.533100| |17.736382|8.901540|5.639476|4.976359|5.625530|8.924737|4.088702|6.081144|5.196710|3.028761|2.617691|2.231060|2.128491|2.334556|2.791355|2.505082|1.704306|1.507773|1.457046|1.553235|1.768216|1.786584|0.036297|0.035238|1.240989|1.134109|0.031395|1.079977|0.997761|0.968241|1.372836|1.086993|0.974299|1.242799|0.883933|0.905424|0.968025|1.372171|8.323210|0.500000| |8.910868|17.728640|8.945947|5.680706|4.935745|5.654666|3.553746|5.590574|4.269552|2.548363|2.282153|1.963778|1.855318|1.991500|2.326405|2.215605|1.538410|1.375525|1.313040|1.377136|1.541026|1.627988|0.033193|0.032394|1.126240|1.040175|0.028902|0.987802|0.920597|0.899372|1.278803|1.005797|0.915317|1.172092|0.839353|0.863571|0.920414|1.293991|9.643844|0.214391|0.500000| |5.623538|8.845498|17.746551|8.990674|5.640482|4.958076|4.118647|6.768428|4.617549|2.747677|2.516610|2.134875|1.972546|2.079676|2.427124|2.343841|1.641584|1.464011|1.371875|1.426442|1.591954|1.702261|0.034889|0.034043|1.163287|1.077158|0.030085|1.013543|0.946705|0.928680|1.330518|1.046016|0.958163|1.224779|0.880957|0.912376|0.975119|1.364425|16.886652|0.123615|0.213352|0.500000| |8.941138|5.658631|4.955267|5.675919|8.920566|17.713865|6.984020|9.117604|9.336759|4.813135|3.876346|3.106591|2.904111|3.246257|4.164399|3.260740|2.151406|1.853785|1.781149|1.933046|2.273076|2.140784|0.043559|0.041868|1.469472|1.323567|0.036689|1.248885|1.141279|1.102147|1.572113|1.257672|1.109846|1.403901|0.993767|1.019478|1.098974|1.568623|9.593831|0.215769|0.124325|0.107609|0.500000| |4.878783|4.051282|4.154652|5.290529|7.754358|7.092810|9.461313|10.905917|26.072508|9.346693|5.742675|4.293547|4.070994|4.924093|7.648741|4.252602|2.818317|2.310374|2.153796|2.307657|2.815494|2.519005|0.050915|0.049473|1.689870|1.501444|0.041494|1.392241|1.262117|1.226924|1.772005|1.435026|1.252534|1.568897|1.110231|1.147686|1.250777|1.789794|10.307457|0.117537|0.092855|0.096049|0.214899|0.500000| |2.947221|2.711184|2.956005|3.736954|4.472118|3.719687|6.875720|15.275731|9.528738|8.907497|17.836545|8.932430|5.632950|4.957142|5.649809|5.685896|3.482655|2.884063|2.594621|2.870208|3.463592|3.043853|0.063907|0.058974|1.973881|1.754173|0.049758|1.593879|1.441790|1.387657|2.030923|1.646886|1.437409|1.786702|1.263373|1.312676|1.442776|2.070205|8.746560|0.073380|0.065352|0.073891|0.107074|0.143199|0.500000| |2.191789|2.035554|2.160793|2.552542|2.895801|2.604578|3.747429|7.269989|5.651772|5.652024|8.949082|17.725411|8.972948|5.679007|4.982612|9.914471|5.295855|4.310599|3.728279|4.280833|5.255488|4.210957|0.090423|0.079740|2.601592|2.251162|0.064542|1.985958|1.762405|1.683809|2.504753|2.073833|1.755374|2.142621|1.499809|1.561563|1.746545|2.548492|5.952926|0.056621|0.050725|0.055527|0.076176|0.098130|0.215995|0.500000| |2.290113|2.066717|2.103543|2.396919|2.774997|2.684605|3.281314|5.399217|5.750786|5.638578|4.946992|5.659455|8.876027|17.703944|8.978166|9.513155|6.203311|4.258615|4.002876|4.273643|6.258690|4.132421|0.079559|0.079602|2.676518|2.219532|0.059724|1.995901|1.735342|1.684690|2.473386|2.100559|1.707665|2.078282|1.441781|1.489053|1.665326|2.457091|5.285840|0.060819|0.051953|0.053437|0.081300|0.116877|0.107580|0.124389|0.500000| |3.193113|2.779552|2.806957|3.284077|4.049819|3.954825|4.819443|7.114264|10.012750|8.889972|5.641647|4.980643|5.646310|8.959495|17.699916|5.634942|3.723151|2.877498|2.691201|2.878437|3.728234|3.021651|0.059842|0.059061|2.011066|1.742669|0.047536|1.602150|1.429265|1.390420|2.017456|1.663420|1.412957|1.751214|1.229568|1.270179|1.397754|2.023294|6.940764|0.083143|0.067900|0.068999|0.122694|0.234596|0.124034|0.108004|0.217856|0.500000| |1.840551|1.737999|1.832997|2.093428|2.288544|2.106427|2.729348|4.893435|4.260067|3.976324|4.382716|5.809681|7.407741|5.840765|4.407125|12.527772|17.628624|8.895083|5.541440|4.911099|5.714162|5.635570|0.111820|0.114037|3.198154|2.685460|0.074371|2.260408|1.982279|1.963651|3.024233|2.606768|2.135271|2.534713|1.773341|1.884270|2.180181|3.213708|4.895315|0.048155|0.044110|0.047958|0.060730|0.081305|0.103602|0.154419|0.154783|0.104087|0.500000| |1.792414|1.673137|1.731087|1.946334|2.147941|2.035745|2.497230|4.345106|3.982380|3.653251|3.733459|4.693528|6.701025|6.273819|4.413276|12.209395|17.423168|8.831757|6.797670|5.718115|7.039381|6.181182|0.113486|0.122902|3.610742|2.891687|0.077092|2.452224|2.100501|2.076377|3.164717|2.797366|2.184581|2.581346|1.780601|1.865171|2.152259|3.233132|4.442971|0.047557|0.042714|0.045094|0.059575|0.078607|0.087536|0.119172|0.200881|0.109134|0.302326|0.500000| |1.559228|1.477203|1.544230|1.732343|1.874498|1.754428|2.184498|4.000696|3.271143|2.906761|3.299480|4.292426|4.851711|3.810324|3.067711|9.637670|8.913071|17.533537|8.854281|6.773168|5.755152|9.720940|0.213356|0.190617|4.597775|3.777427|0.108764|2.956204|2.538112|2.482271|3.961231|3.533706|2.749434|3.157694|2.167167|2.298673|2.735710|4.191433|4.032448|0.041267|0.037916|0.040711|0.050714|0.062474|0.083128|0.130641|0.103538|0.074849|0.218629|0.174106|0.500000| |1.496467|1.421441|1.479823|1.644432|1.768655|1.668340|2.022767|3.627413|3.058504|2.669551|2.865743|3.525168|4.180368|3.633465|2.927321|7.682714|8.827592|17.522767|8.810032|5.494257|4.921835|9.485462|0.170087|0.221709|4.651224|3.804071|0.102808|2.964907|2.547104|2.583433|4.184044|3.852965|2.923570|3.311019|2.273253|2.435083|2.952122|4.556635|3.812369|0.039767|0.036663|0.039131|0.048101|0.059761|0.071620|0.099749|0.105093|0.073735|0.212380|0.215789|0.300603|0.500000| |1.490876|1.394482|1.425180|1.570089|1.715427|1.659453|1.941691|3.425162|2.978152|2.593261|2.709510|3.301856|4.104594|3.731390|2.938040|7.759471|6.740896|8.840545|17.585888|8.829723|6.742137|12.465011|0.181535|0.219511|7.025136|4.641556|0.115313|3.701166|2.930445|2.842044|4.382941|4.247882|2.841064|3.240885|2.148410|2.196091|2.570850|4.101050|3.557977|0.040154|0.036069|0.037383|0.048730|0.058968|0.066970|0.090830|0.114545|0.075241|0.138969|0.196885|0.173825|0.216291|0.500000| |1.587371|1.477445|1.516827|1.691871|1.867519|1.791188|2.168276|3.945427|3.263799|2.898021|3.283040|4.265176|4.836893|3.809885|3.064384|9.596851|5.731927|6.770944|8.860272|17.527479|8.899675|9.601670|0.217330|0.148051|5.532443|4.126733|0.118473|3.420713|2.776491|2.528711|3.804500|3.376381|2.498100|2.932000|1.961879|1.992153|2.277240|3.543283|3.844798|0.042530|0.037950|0.039595|0.052916|0.062369|0.082620|0.129382|0.103763|0.074829|0.128619|0.132030|0.198434|0.138736|0.173746|0.500000| |1.540421|1.424582|1.444212|1.592787|1.763356|1.724144|2.007253|3.570091|3.057823|2.667663|2.857869|3.513901|4.184305|3.648956|2.933678|7.686885|4.915702|5.489265|8.782600|17.569960|8.861882|9.235982|0.172150|0.141375|6.578953|4.407114|0.116155|3.838080|2.960881|2.658945|3.883607|3.525442|2.475758|2.914079|1.922851|1.920974|2.175782|3.423603|3.571203|0.041721|0.036781|0.037632|0.051356|0.059786|0.071301|0.099157|0.105942|0.073962|0.108137|0.128631|0.138593|0.123078|0.215393|0.300676|0.500000| |1.834991|1.674719|1.695762|1.893651|2.140153|2.093077|2.477295|4.282969|3.975862|3.644301|3.718720|4.672863|6.696074|6.299209|4.415319|12.211581|7.039868|5.733121|6.809687|8.835430|17.421152|6.152925|0.114083|0.109464|3.991365|3.031455|0.080156|2.684407|2.222431|2.101283|3.085703|2.719992|2.057021|2.458419|1.665982|1.696616|1.915821|2.918636|4.209805|0.049461|0.042789|0.043688|0.063121|0.078520|0.087118|0.118535|0.203461|0.109305|0.143706|0.208108|0.132383|0.128700|0.196955|0.174063|0.216917|0.500000| |1.917762|1.741209|1.766894|1.991029|2.273856|2.213427|2.688271|4.753613|4.248541|3.959249|4.345816|5.748749|7.400986|5.877605|4.412571|12.533682|5.714451|4.924757|5.549874|8.898226|17.627191|5.598819|0.112707|0.097608|3.646435|2.871868|0.078955|2.572401|2.155016|1.997723|2.913657|2.506227|1.950246|2.352581|1.599269|1.624181|1.818750|2.750936|4.424947|0.051512|0.044253|0.045322|0.067256|0.081176|0.102513|0.152226|0.156782|0.104373|0.128210|0.143722|0.129072|0.108250|0.138974|0.218525|0.213491|0.302395|0.500000| |1.272139|1.196857|1.216342|1.321069|1.426964|1.393436|1.582958|2.810736|2.365890|1.986368|2.076506|2.423564|2.780396|2.574328|2.171604|4.724633|3.707154|4.681476|6.949694|5.518536|4.064066|12.412115|0.181071|0.218840|17.607423|8.749881|0.173352|6.665068|4.496169|4.197958|6.331411|6.923207|3.666327|4.076613|2.560139|2.506119|2.907029|4.913879|2.987553|0.034539|0.031262|0.032122|0.040756|0.047029|0.053061|0.068360|0.076546|0.056782|0.087222|0.103616|0.115159|0.126859|0.218095|0.131518|0.170625|0.114393|0.097888|0.500000| |1.303172|1.222139|1.241970|1.353625|1.468903|1.433749|1.640977|2.941466|2.437341|2.055769|2.194578|2.591004|2.907142|2.605951|2.205672|4.984312|3.618740|4.512261|6.766148|6.759192|4.457201|12.406039|0.223624|0.181320|17.657282|8.800323|0.209140|7.088013|4.601594|3.865986|5.643686|5.473704|3.315244|3.785390|2.393679|2.329706|2.656033|4.393539|3.058695|0.035367|0.031851|0.032722|0.042097|0.047932|0.056483|0.074760|0.075294|0.056858|0.085363|0.095867|0.119591|0.112888|0.173137|0.175206|0.230578|0.116877|0.112149|0.301326|0.500000| |1.098933|1.039486|1.052065|1.129855|1.209136|1.188386|1.320579|2.354495|1.936736|1.584695|1.652790|1.868215|2.050232|1.924244|1.692518|3.272769|2.475572|2.924021|3.652655|3.375690|2.718490|6.235607|0.115272|0.120644|7.025943|8.845154|0.174156|17.494838|8.840032|6.728818|7.848699|6.832153|4.080641|4.784281|2.841518|2.597200|2.849013|4.807341|2.550913|0.030010|0.027367|0.027939|0.034609|0.038603|0.043177|0.053141|0.056081|0.044804|0.061556|0.068444|0.077547|0.080417|0.104798|0.089030|0.104842|0.075517|0.070335|0.201216|0.179828|0.500000| |1.121589|1.059502|1.073447|1.156118|1.239987|1.216690|1.361155|2.445728|1.985106|1.628379|1.723050|1.958340|2.114885|1.946812|1.716182|3.384939|2.478540|2.929638|3.662399|3.615338|2.833180|6.339649|0.127155|0.115596|6.923392|8.787674|0.214569|17.541578|8.815979|5.489100|6.733269|5.504848|3.687880|4.400733|2.664784|2.451973|2.674076|4.427272|2.611943|0.030595|0.027845|0.028473|0.035490|0.039255|0.045313|0.056566|0.055769|0.044988|0.061743|0.066681|0.080449|0.077892|0.098768|0.100199|0.113732|0.076106|0.075038|0.163408|0.212859|0.302678|0.500000| |0.981723|0.934812|0.947283|1.011737|1.073406|1.053925|1.163883|2.089483|1.681488|1.356782|1.421725|1.581618|1.686691|1.581084|1.422009|2.618963|1.962174|2.270245|2.636303|2.509345|2.102856|4.373046|0.087543|0.087249|4.094916|5.510039|0.140644|8.846301|17.562415|8.872233|7.681437|4.931029|4.212834|5.510204|3.177859|2.728351|2.818750|4.586873|2.291304|0.026824|0.024721|0.025290|0.030508|0.033445|0.037734|0.045430|0.045294|0.037718|0.050269|0.053498|0.062471|0.062762|0.072867|0.069368|0.075103|0.057406|0.055791|0.107865|0.110427|0.216405|0.210792|0.500000| |1.012787|0.966348|0.984487|1.056425|1.119636|1.091601|1.222326|2.211119|1.759821|1.427623|1.515623|1.700982|1.798063|1.656093|1.484130|2.821246|2.115946|2.506631|2.878861|2.721768|2.234548|4.997506|0.104778|0.099858|4.521485|6.768912|0.202299|8.851880|17.541933|8.895386|9.450170|5.703552|5.096304|6.409854|3.628831|3.129477|3.287893|5.478047|2.405828|0.027547|0.025487|0.026302|0.031528|0.034760|0.040378|0.049538|0.046953|0.039002|0.054451|0.056553|0.070746|0.069003|0.076771|0.077494|0.079613|0.059645|0.059115|0.110107|0.120488|0.173746|0.215858|0.302731|0.500000| |0.980520|0.937059|0.952675|1.017702|1.075615|1.051943|1.165405|2.084077|1.690984|1.366123|1.421419|1.582463|1.707386|1.613717|1.444804|2.662480|2.070701|2.429979|2.767361|2.472798|2.095577|4.632184|0.088798|0.098959|4.181489|5.667429|0.132879|6.704998|8.822561|17.475325|12.398819|6.996298|6.267322|7.848633|4.177004|3.499235|3.667935|6.262445|2.313629|0.026722|0.024782|0.025491|0.030328|0.033773|0.037512|0.045102|0.046706|0.038486|0.053289|0.057306|0.065554|0.069893|0.078681|0.066736|0.071983|0.058029|0.054231|0.117666|0.101983|0.195449|0.138005|0.216360|0.173902|0.500000| |0.941385|0.903103|0.920907|0.983438|1.034962|1.008604|1.121283|2.018778|1.613158|1.298435|1.362117|1.511610|1.604386|1.502904|1.356292|2.484027|1.916484|2.246392|2.487485|2.261492|1.925308|4.171626|0.083855|0.088916|3.563941|4.910150|0.130901|5.500087|8.840132|17.722228|12.513926|5.693791|7.431812|11.268133|5.361061|4.083370|4.034438|6.681469|2.244500|0.025609|0.023903|0.024709|0.028977|0.032075|0.036268|0.043522|0.042949|0.035987|0.050006|0.052177|0.062276|0.064232|0.068530|0.062746|0.064842|0.052423|0.050348|0.094485|0.089576|0.138408|0.123476|0.210374|0.217941|0.302602|0.500000| |1.146559|1.096052|1.127094|1.221758|1.295405|1.247038|1.431723|2.578101|2.094867|1.733838|1.838097|2.115649|2.317121|2.117863|1.840799|3.805692|3.145102|4.154320|4.631705|3.593061|2.890261|9.241912|0.169308|0.250851|6.744419|8.713989|0.212200|5.492744|4.908106|5.701671|12.679634|17.670964|7.643576|6.807379|4.103813|4.157246|5.479154|11.689785|2.807825|0.030913|0.028725|0.030093|0.035886|0.041396|0.048004|0.061117|0.061044|0.048062|0.080193|0.084493|0.112338|0.126656|0.125113|0.097206|0.097074|0.077729|0.071268|0.171637|0.137916|0.139794|0.122671|0.108218|0.127353|0.144391|0.128714|0.500000| |1.111597|1.058680|1.080394|1.164162|1.237732|1.203682|1.356419|2.420368|1.993166|1.638316|1.708849|1.943150|2.150459|2.014412|1.758189|3.476704|2.810237|3.490440|4.135391|3.356911|2.742052|7.482751|0.130068|0.173200|6.900218|8.848375|0.174118|6.891333|5.810060|7.043186|12.416616|17.432913|6.249993|6.295300|3.674740|3.486689|4.132544|7.728668|2.652893|0.030155|0.027831|0.028799|0.034785|0.039729|0.044469|0.055216|0.059003|0.046474|0.070641|0.078261|0.090773|0.103484|0.120976|0.087593|0.095854|0.076255|0.068261|0.209496|0.142243|0.203832|0.140458|0.130617|0.132829|0.208872|0.143956|0.302046|0.500000| |0.864410|0.838929|0.862191|0.917908|0.953046|0.920897|1.027078|1.858626|1.460910|1.163498|1.220876|1.336242|1.394036|1.310259|1.201260|2.110852|1.657989|1.906610|1.959216|1.765570|1.566660|3.117165|0.063919|0.068868|2.362933|2.844978|0.080613|2.733188|3.239895|4.105771|5.981160|3.387512|5.930670|12.758857|17.707455|8.877141|5.725978|6.887278|2.116367|0.023404|0.022270|0.023330|0.026167|0.029034|0.032844|0.038550|0.037077|0.031955|0.044788|0.044972|0.053765|0.055969|0.053494|0.049494|0.048701|0.042481|0.040977|0.063240|0.059792|0.071499|0.067592|0.082666|0.091831|0.104008|0.135133|0.093410|0.087151|0.500000| |0.905184|0.882442|0.912992|0.975197|1.007884|0.966182|1.089679|1.977820|1.547606|1.234549|1.299458|1.423539|1.480199|1.386196|1.271147|2.237828|1.792331|2.067925|2.041724|1.805969|1.620650|3.201218|0.065918|0.072559|2.297172|2.648119|0.075749|2.396805|2.632892|3.167053|5.069213|3.182314|5.090710|7.748929|8.828654|17.776733|8.845037|7.745783|2.265666|0.024384|0.023383|0.024771|0.027322|0.030690|0.034991|0.041154|0.039070|0.033718|0.049276|0.048369|0.058792|0.062041|0.055344|0.050723|0.048698|0.043753|0.042029|0.061453|0.057577|0.062955|0.059957|0.066085|0.074587|0.081823|0.093739|0.095124|0.081546|0.210528|0.500000| 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