Version2.2 2021-02-08T08:13:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCO[C@@H]1C[NH+](CCN1)[C@@H](CNCc2ccccc2)c3ccc(cc3)Cc4ccccc4 C39531361 RHF 6-31G(d) (6D,7F) CCO[C@@H]1C[NH+](CCN1)[C@@H](CNCc2ccccc2)c3ccc(cc3)Cc4ccccc4 C01[X(C28H36N3O1)] 198 C1 552 CCO[C@H]1NCC[NH+](C1)[C@H](c1ccc(cc1)Cc1ccccc1)CNCc1ccccc1 CCO[C@H]1NCC[NH+](C1)[C@H](c1ccc(cc1)Cc1ccccc1)CNCc1ccccc1 CCO[C@@H]1C[NH+](CCN1)[C@@H](CNCc2ccccc2)c3ccc(Cc4ccccc4)cc3 InChIKey=ZDZOKQQDMXADJL-WUFINQPMSA-O InChI=1S/C28H35N3O/c1-2-32-28-22-31(18-17-30-28)27(21-29-20-25-11-7-4-8-12-25)26-15-13-24(14-16-26)19-23-9-5-3-6-10-23/h3-16,27-30H,2,17-22H2,1H3/p+1/t27-,28+/m0/s1 InChI=1/C28H35N3O/c1-2-32-28-22-31(18-17-30-28)27(21-29-20-25-11-7-4-8-12-25)26-15-13-24(14-16-26)19-23-9-5-3-6-10-23/h3-16,27-30H,2,17-22H2,1H3/p+1/t27-,28+/m0/s1/fC28H36N3O/h31H/q+1 CCO[C@@H]1C[NH+](CCN1)[C@@H](CNCc2ccccc2)c3ccc(cc3)Cc4ccccc4 C01[X(C28H36N3O1)] 198 C01 552 CCO[C@H]1NCC[NH+](C1)[C@H](c1ccc(cc1)Cc1ccccc1)CNCc1ccccc1 CCO[C@H]1NCC[NH](C1)[C@H]([C]1[CH][CH][C]([CH][CH]1)C[C]1[CH][CH][CH][CH][CH]1)CNC[C]1[CH][CH][CH][CH][CH]1 CCO[C@@H]1C[NH](CCN1)[C@@H](CNC[C]2[CH][CH][CH][CH][CH]2)[C]3[CH][CH][C]([CH][CH]3)C[C]4[CH][CH][CH][CH][CH]4 InChIKey=QMIACFVDSGTGPU-WUFINQPMSA-N InChI=1S/C28H36N3O/c1-2-32-28-22-31(18-17-30-28)27(21-29-20-25-11-7-4-8-12-25)26-15-13-24(14-16-26)19-23-9-5-3-6-10-23/h3-16,27-31H,2,17-22H2,1H3/t27-,28+/m0/s1 InChI=1/C28H36N3O/c1-2-32-28-22-31(18-17-30-28)27(21-29-20-25-11-7-4-8-12-25)26-15-13-24(14-16-26)19-23-9-5-3-6-10-23/h3-16,27-31H,2,17-22H2,1H3/t27-,28+/m0/s1 3033.0702625750 -1319.2767628 1-A 23111.1987 116 436 552 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.67983 -15.82985 -15.67584 -15.66152 -11.44241 -11.43286 -11.41879 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 8.6755 16.4146 17.6539 24.9123 26.3809 29.8134 39.2090 43.5145 54.5365 61.7133 63.9555 78.1437 95.2452 110.3192 144.7911 171.4553 181.1073 189.1892 207.6800 210.2315 253.0737 262.9918 280.4046 295.8418 313.7566 323.5197 332.4064 353.0682 366.3661 374.8446 403.9649 433.8922 455.5020 455.6693 458.2675 480.5834 489.2175 518.9536 533.6468 549.0779 578.3057 580.2044 596.7418 627.8551 662.1433 669.3516 680.4077 680.5808 684.0713 703.1693 777.6128 779.3178 805.3358 823.5290 837.7662 848.0934 868.4500 878.8631 886.2947 890.1962 895.0579 904.3746 922.8055 933.3529 945.4817 954.7992 957.5710 958.6425 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378.39 403.44 425.65 451.43 465.47 478.26 507.99 527.12 539.32 581.22 624.27 655.37 655.61 659.34 691.45 703.87 746.66 767.80 790.00 832.05 834.78 858.58 903.34 952.68 963.05 978.95 979.20 984.23 1011.70 1118.81 1121.26 1158.70 1184.87 1205.36 1220.22 1249.51 1264.49 1275.18 1280.79 1287.79 1301.19 1327.71 1342.89 1360.34 1373.74 1377.73 1379.27 1381.43 1424.04 1462.60 1477.75 1494.40 1505.25 1526.03 1546.45 1567.73 1569.36 1577.40 1586.77 1589.10 1595.34 1598.53 1603.86 1623.73 1625.87 1626.50 1629.86 1632.62 1639.21 1661.21 1683.81 1703.68 1704.94 1721.87 1737.90 1746.96 1751.78 1767.67 1775.60 1788.51 1811.97 1840.62 1845.01 1865.13 1868.13 1874.48 1875.84 1882.12 1892.43 1894.30 1902.66 1904.95 1908.16 1915.98 1919.57 1948.94 1967.22 2003.59 2037.55 2048.22 2062.51 2084.72 2106.52 2127.97 2134.59 2141.58 2149.06 2161.59 2170.64 2192.33 2198.80 2228.41 2243.86 2259.17 2266.96 2276.54 2285.48 2294.22 2308.47 2329.74 2331.00 2333.96 2342.04 2347.31 2363.78 2364.71 2372.81 2381.17 2385.26 2394.46 2402.29 2404.68 2407.64 2414.06 2433.20 2543.73 2569.90 2572.13 2604.27 2608.30 2614.24 4426.03 4504.05 4567.24 4599.66 4602.67 4626.60 4635.09 4637.38 4656.60 4658.58 4680.97 4728.55 4735.51 4739.53 4745.78 4750.77 4795.10 4801.81 4820.96 4823.24 4827.21 4828.93 4829.48 4846.84 4847.72 4850.77 4862.62 4864.87 4865.57 4878.28 4882.00 4883.85 4915.87 5313.60 5387.65 5460.52 0.642435 0.670587 0.671531 0.576160 -1318.634328 -1318.606176 -1318.605231 -1318.700603 3.198793D-04 MUNgauss RevisionA2.1 retrievium 08-Feb-2021 DUDE CCO[C@@H]1C[NH+](CCN1)[C@@H](CNCc2ccccc2)c3ccc(cc3)Cc4ccccc4 C39531361 RHF 6-31G(d) (6D,10F) C1 430.285838 |X|Y|Z| 70.982375 130.177540 33.563099 67.688706 29 6 7 26 3 |36.858105| |12.582013|36.858105| |8.035842|13.462819|73.516695| |5.210377|7.992349|24.663003|36.858105| |4.847066|7.407529|16.705689|17.351364|0.500000| |4.150496|5.261800|14.776678|12.489401|0.245584|36.858105| |3.182340|3.926262|9.298146|7.624487|0.190262|12.668015|53.358707| |3.096493|3.859391|8.681131|7.129312|0.208834|9.333641|25.708945|0.500000| |2.959458|3.680623|8.267715|6.636061|0.161063|7.740065|17.221373|0.259831|36.858105| |3.304992|4.370048|9.356931|7.965030|0.198491|6.667733|10.451411|0.200231|12.548318|36.858105| |4.334402|6.236704|14.439157|13.200996|0.251073|7.884056|9.075480|0.167246|7.891871|13.189433|53.358707| |2.664472|3.084279|6.951757|4.869527|0.125679|7.383448|16.881848|0.257983|7.588216|4.945374|6.022350|36.858105| |2.595691|2.957411|6.674369|4.503431|0.111183|6.618279|12.427470|0.183399|7.331264|4.714053|5.870229|17.620161|0.500000| |2.673817|2.984652|6.655329|4.314141|0.114372|6.411261|10.124161|0.186439|4.908816|3.779822|4.984150|12.384088|0.246826|36.858105| |2.901227|3.129616|7.131893|4.291086|0.108325|6.429017|8.133418|0.142344|4.305655|3.472110|4.890665|7.708113|0.207274|13.189150|53.358707| |2.814280|2.910520|6.336839|3.599790|0.094248|4.794188|5.864180|0.110943|3.303627|2.844529|4.073090|5.018745|0.132355|7.816078|17.729861|36.858105| |2.834075|2.803867|5.996018|3.225745|0.082695|4.050781|4.777480|0.089328|2.874749|2.545773|3.740414|3.874353|0.108872|5.064190|10.584326|12.602222|36.858105| |3.371173|3.219316|6.952509|3.522457|0.087986|4.280125|4.721287|0.087439|2.904191|2.646674|4.045683|3.572878|0.101680|4.292659|8.473818|7.556526|13.679066|36.858105| |3.120646|2.873198|5.923264|2.959437|0.074318|3.393816|3.859854|0.072129|2.487217|2.312235|3.533553|2.895819|0.083693|3.309336|5.975049|5.020034|7.905694|13.784657|36.858105| |2.547206|2.377653|4.791083|2.470859|0.063142|2.818310|3.358204|0.063358|2.193456|2.026222|3.018339|2.590152|0.075139|2.966790|5.178807|4.431650|6.835315|7.934349|13.717906|36.858105| |2.291171|2.194942|4.441659|2.360997|0.061076|2.748632|3.376048|0.064019|2.179569|1.979099|2.884404|2.696019|0.077847|3.185403|5.560521|5.013978|7.900946|6.882713|7.948970|13.781006|36.858105| |2.386360|2.339730|4.833581|2.621209|0.068071|3.163966|3.912360|0.074087|2.446184|2.178576|3.145893|3.220426|0.091792|4.038798|7.417730|7.562005|13.740674|7.959565|6.888258|7.938288|13.720105|36.858105| |2.266212|2.609229|5.556892|3.840628|0.104865|4.939076|10.457597|0.208518|6.360586|4.406814|5.018523|12.567833|0.247367|7.513528|6.859043|3.838838|3.068172|2.814855|2.372985|2.183406|2.293312|2.687305|36.858105| |2.012721|2.282310|4.761013|3.189686|0.085719|3.892977|7.382343|0.141599|5.374291|3.852754|4.378921|7.564522|0.204348|5.288263|5.557872|3.222786|2.708923|2.500116|2.167701|2.029737|2.134930|2.452370|13.756965|36.858105| |1.786299|2.009999|4.074717|2.683697|0.073799|3.107860|5.541000|0.112514|4.139779|3.255498|3.711624|5.013815|0.133097|4.006828|4.373974|2.691004|2.303304|2.132163|1.882076|1.784211|1.879304|2.129737|7.907008|13.721831|36.858105| |1.741888|1.963264|3.921111|2.581995|0.073073|2.921953|5.130733|0.110366|3.706477|3.069342|3.511429|4.402269|0.110259|3.737285|4.028036|2.558686|2.170879|2.008606|1.771922|1.679405|1.769264|2.006218|6.774914|7.881098|13.739652|36.858105| |1.901508|2.163883|4.340734|2.900790|0.084140|3.306199|5.925831|0.135473|4.003315|3.337673|3.825327|5.005730|0.116273|4.346887|4.465751|2.845015|2.348460|2.165625|1.881915|1.765956|1.859227|2.133008|7.897090|6.901454|7.990180|13.654530|36.858105| |2.179740|2.512422|5.193729|3.567398|0.103106|4.296485|8.348089|0.197861|5.071126|3.982461|4.560527|7.513191|0.154934|6.146345|5.742755|3.495347|2.781278|2.552336|2.165802|2.001774|2.104620|2.456202|13.655008|7.977302|6.911010|7.888587|13.808979|36.858105| |1.542823|1.720427|3.365311|2.171167|0.061747|2.382306|3.976073|0.085356|2.929806|2.554871|2.975687|3.258002|0.084101|2.897939|3.272283|2.145672|1.863077|1.735298|1.555714|1.488159|1.565100|1.749452|4.397961|4.995411|7.528246|12.533673|7.506158|4.999470|36.858105| |1.456896|1.607103|3.117258|1.980207|0.056783|2.165992|3.509522|0.075956|2.503584|2.226104|2.662086|2.873933|0.073622|2.698870|3.071154|2.071480|1.797026|1.660152|1.492017|1.437746|1.522585|1.703599|3.692955|3.917428|5.146696|7.462689|6.219494|4.343529|12.551241|36.858105| |1.407842|1.551721|2.969731|1.877214|0.054495|2.012061|3.202505|0.070249|2.286383|2.092699|2.518177|2.534311|0.064635|2.408606|2.777970|1.901566|1.660270|1.546571|1.395826|1.342764|1.413986|1.572275|3.133978|3.191455|3.914606|5.322503|5.085076|3.745158|7.535039|13.733417|36.858105| |1.326654|1.447346|2.751425|1.715372|0.049853|1.833076|2.851929|0.062335|2.010512|1.858332|2.278914|2.253252|0.057696|2.204637|2.580571|1.802490|1.582588|1.469632|1.332710|1.290052|1.363297|1.511757|2.689472|2.694559|3.158885|4.000365|3.992694|3.164481|5.001888|7.894798|13.719034|36.858105| |1.292026|1.397664|2.667881|1.649157|0.047563|1.782411|2.749412|0.059419|1.916648|1.754621|2.176291|2.214609|0.057074|2.212747|2.605372|1.838990|1.616160|1.485794|1.349514|1.316988|1.403993|1.560258|2.613169|2.630542|3.044658|3.714315|3.673467|3.010691|4.421039|6.825050|7.934510|13.780051|36.858105| |1.329177|1.437168|2.772273|1.716973|0.049041|1.886144|2.935362|0.062730|2.038361|1.830122|2.266138|2.430109|0.062968|2.431364|2.842448|1.991416|1.741511|1.585510|1.435743|1.406231|1.510259|1.688546|2.911294|2.994616|3.527738|4.259795|4.039932|3.295993|5.010471|7.898750|6.891330|7.955354|13.721963|36.858105| |1.410577|1.538848|2.995116|1.878664|0.053424|2.081975|3.320136|0.070781|2.326144|2.051688|2.499981|2.792197|0.072266|2.712099|3.111477|2.126763|1.846054|1.682868|1.515133|1.474883|1.579583|1.773577|3.498107|3.722439|4.683873|5.970630|5.176973|3.965190|7.540651|13.679532|7.967279|6.888228|7.933001|13.781328|36.858105| |17.580522|8.864647|12.867568|4.890547|0.129597|4.175294|4.323931|0.086410|2.849552|3.074097|5.286234|2.714921|0.072780|2.816913|4.220696|3.105732|3.145105|3.791046|3.459355|2.781297|2.494893|2.612696|2.293536|2.018670|1.789476|1.752233|1.926324|2.219451|1.548948|1.474178|1.424091|1.348744|1.319955|1.359129|1.436071|0.500000| |17.585331|8.871546|12.895035|4.804787|0.117834|4.005941|4.189846|0.081184|2.916411|3.205406|5.745310|2.617758|0.072417|2.609366|3.935054|2.781900|2.880805|3.513713|3.346266|2.699367|2.380038|2.439350|2.212546|1.990870|1.759742|1.696668|1.830358|2.092653|1.503519|1.414401|1.359248|1.279520|1.250349|1.292451|1.374466|0.300728|0.500000| |17.569321|8.886658|10.216168|4.237918|0.114529|3.422133|3.754038|0.075668|2.612855|2.945684|5.062792|2.342301|0.063306|2.344091|3.403849|2.449363|2.465015|2.866698|2.711083|2.273011|2.057263|2.123843|2.040783|1.830394|1.646603|1.616531|1.758453|1.986021|1.447507|1.372632|1.335649|1.263398|1.227832|1.255943|1.326627|0.300606|0.300718|0.500000| |8.830892|17.524044|16.519618|7.319224|0.229180|4.920674|5.241891|0.110074|3.541249|4.227441|7.575924|3.024214|0.078593|2.954159|4.091522|2.833623|2.665619|2.973672|2.633469|2.217019|2.080058|2.237493|2.612531|2.260758|2.012019|1.997429|2.232094|2.584597|1.755459|1.650006|1.606596|1.501538|1.443229|1.473865|1.572542|0.211993|0.173268|0.212063|0.500000| |8.872284|17.546518|16.457644|6.988367|0.177096|4.627678|4.987712|0.099458|3.656388|4.566318|9.083166|2.882552|0.077894|2.710208|3.820275|2.576452|2.495136|2.830066|2.580100|2.173039|2.010099|2.123044|2.487768|2.216251|1.965589|1.912216|2.081882|2.384170|1.687021|1.564858|1.512879|1.405819|1.351826|1.387947|1.490311|0.173627|0.212636|0.213602|0.300733|0.500000| |4.061147|4.855493|13.456535|8.889398|0.173834|17.689372|12.322419|0.181466|7.005973|5.838066|9.678927|6.773225|0.196019|5.918438|9.192898|4.860797|4.366091|4.783824|3.800305|3.102044|2.978408|3.390717|4.509498|3.769019|2.985145|2.732337|2.987081|3.765489|2.248996|2.040065|1.882127|1.720034|1.685108|1.795072|1.980817|0.112313|0.114823|0.092408|0.119544|0.122041|0.500000| |4.177912|5.017739|13.268028|8.880736|0.216012|17.741797|12.279867|0.223634|5.622657|4.993787|7.744769|6.818403|0.161897|7.318596|10.383035|5.960860|4.735465|4.918724|3.708629|3.045584|2.999076|3.544680|4.657862|3.616409|2.940657|2.822011|3.253109|4.244042|2.315033|2.149903|2.005895|1.848790|1.811360|1.914762|2.090196|0.123579|0.109466|0.095485|0.135416|0.117007|0.302298|0.500000| |2.919982|3.526923|7.997255|5.877292|0.134717|7.087377|12.416117|0.182354|17.634872|8.864992|9.751742|6.962781|0.222456|4.672272|5.973953|3.315590|2.972364|3.037793|2.627133|2.313743|2.283518|2.540170|5.545964|5.101661|3.885099|3.354446|3.482102|4.267830|2.701011|2.319544|2.104596|1.866291|1.798811|1.926779|2.191090|0.077748|0.082174|0.071240|0.091211|0.098193|0.211917|0.144201|0.500000| |2.553743|3.094959|6.612070|4.960040|0.129951|5.630681|12.332110|0.224700|17.680460|8.812270|7.712216|7.171698|0.188227|4.594741|5.248481|3.023377|2.615968|2.584418|2.238771|2.014129|2.027735|2.275775|7.466323|6.664278|5.121688|4.492115|4.737816|5.860801|3.442678|2.835371|2.555705|2.201144|2.078713|2.220027|2.583484|0.068824|0.069684|0.063844|0.084494|0.085792|0.143331|0.126371|0.299540|0.500000| |2.970483|3.788098|7.675740|5.730466|0.144969|4.974712|7.615191|0.145884|8.989611|17.608089|12.507635|4.120908|0.113758|3.212152|4.079125|2.496732|2.280755|2.373105|2.118438|1.878169|1.830774|1.989106|3.849569|3.580523|3.111495|2.903093|3.047437|3.477433|2.471712|2.134539|2.009752|1.780669|1.676691|1.746213|1.959646|0.075955|0.081437|0.075060|0.100744|0.114216|0.130551|0.109447|0.215763|0.212898|0.500000| |3.157821|4.186057|8.478687|7.059278|0.211160|5.799013|9.368955|0.211076|8.873766|17.409892|12.164502|4.592560|0.115559|3.630311|4.402009|2.718555|2.400101|2.464167|2.152082|1.900452|1.869736|2.065226|4.345284|3.715747|3.247180|3.188374|3.571442|4.217541|2.668727|2.335998|2.227626|1.970630|1.838776|1.897304|2.122425|0.082510|0.082808|0.079619|0.119351|0.119716|0.133840|0.130471|0.173697|0.215237|0.302186|0.500000| |4.550417|6.774400|13.084745|9.354194|0.215404|5.761720|6.804541|0.132517|5.774971|9.367985|25.923161|3.602877|0.097732|3.095574|4.163007|2.638913|2.465947|2.685116|2.397561|2.060421|1.955989|2.104438|3.128786|2.789173|2.432462|2.330646|2.522898|2.923271|2.017167|1.817726|1.738406|1.581553|1.505679|1.555602|1.703533|0.108679|0.121891|0.111700|0.167044|0.230588|0.148243|0.127810|0.149129|0.127462|0.226085|0.213344|0.500000| |2.801533|3.152523|6.941529|4.519648|0.126332|6.420138|9.639776|0.202596|4.584577|3.750389|4.991995|8.788450|0.175120|17.536085|12.522972|7.335104|4.717442|4.093819|3.160102|2.811909|2.988311|3.745354|6.461760|4.517875|3.641662|3.589296|4.388874|6.254632|2.828744|2.686086|2.449498|2.259473|2.251816|2.431351|2.671903|0.083107|0.074223|0.068367|0.089047|0.078165|0.150568|0.225338|0.115796|0.119033|0.087250|0.103920|0.087159|0.500000| |2.324841|2.552483|5.483327|3.481643|0.093965|4.717600|7.548078|0.145980|4.120683|3.235282|4.186707|8.974400|0.202321|17.509299|12.217048|6.775660|4.588389|3.755303|3.004265|2.796804|3.090520|3.934169|7.464384|5.590368|4.336677|4.048797|4.644952|6.300462|3.119457|2.950421|2.580695|2.370867|2.421672|2.719775|3.048757|0.067884|0.063241|0.057558|0.070590|0.065262|0.124734|0.143829|0.110131|0.113062|0.078729|0.087484|0.073954|0.304913|0.500000| |2.652890|2.828849|6.326822|3.771583|0.094132|5.356359|7.087221|0.122096|4.081761|3.251911|4.530499|6.980033|0.217977|9.425098|25.856226|9.426321|7.390182|5.884968|4.399229|3.946745|4.314639|5.699471|4.808811|4.167538|3.252814|2.908901|3.113092|3.880759|2.376092|2.215364|1.984250|1.841038|1.869540|2.058990|2.264224|0.077608|0.074812|0.064107|0.074619|0.071954|0.167517|0.159758|0.120856|0.103245|0.079974|0.082897|0.079291|0.182141|0.222138|0.500000| |3.069767|3.177723|6.876224|3.864667|0.104037|5.015851|5.918393|0.116448|3.274400|2.904198|4.209553|4.709338|0.118535|7.058217|12.531153|17.533694|8.888313|6.826335|4.638176|3.982660|4.290067|5.855239|3.676897|3.023237|2.565067|2.496746|2.837910|3.498471|2.105053|2.045660|1.904146|1.811438|1.834796|1.960375|2.078885|0.096375|0.082237|0.073946|0.087609|0.076451|0.132951|0.186856|0.088830|0.082746|0.069972|0.078492|0.076258|0.219733|0.164026|0.182699|0.500000| |2.439467|2.522483|5.325783|3.072777|0.082209|3.937900|5.148223|0.099871|2.979626|2.562946|3.576981|4.581775|0.120030|7.119481|12.212459|17.485106|8.903735|5.591771|4.189978|3.987502|4.786398|7.341320|3.755582|3.204179|2.726164|2.613767|2.897565|3.492021|2.203788|2.161012|1.973428|1.886349|1.950940|2.132026|2.259425|0.074093|0.066787|0.060132|0.069097|0.062952|0.109215|0.130017|0.082492|0.078010|0.063296|0.068922|0.065083|0.186163|0.202355|0.214725|0.303053|0.500000| |4.100562|3.931902|8.896641|4.317763|0.105389|5.283166|5.390351|0.099140|3.255475|3.008094|4.750690|3.867365|0.108376|4.536394|8.779397|7.012239|8.897503|17.702386|8.938888|5.645785|4.955883|5.652964|2.975335|2.594798|2.197457|2.077343|2.262675|2.701304|1.783909|1.695234|1.585170|1.497973|1.501274|1.593520|1.699199|0.130215|0.118261|0.093404|0.099085|0.093346|0.165057|0.173439|0.093928|0.078584|0.073681|0.077329|0.086784|0.123162|0.105484|0.158485|0.195686|0.140747|0.500000| |3.417683|3.036125|6.140951|2.971154|0.074095|3.278147|3.677885|0.068884|2.419248|2.299253|3.579426|2.677731|0.077414|2.957792|5.132610|4.094633|5.632682|8.933475|17.718289|8.905005|5.651126|4.959998|2.213353|2.031656|1.774132|1.673526|1.773392|2.028911|1.477468|1.412532|1.328277|1.266898|1.276071|1.350057|1.424684|0.104719|0.104996|0.082265|0.075929|0.075984|0.102328|0.097400|0.071171|0.060137|0.058886|0.059223|0.068361|0.079315|0.074216|0.104126|0.109356|0.096287|0.215880|0.500000| |2.377416|2.195594|4.333599|2.228715|0.057172|2.481578|2.986043|0.056642|1.988898|1.858732|2.766041|2.280317|0.066260|2.549519|4.287305|3.545179|4.932848|5.645209|8.900931|17.723034|8.920954|5.643888|1.956768|1.840272|1.634983|1.541274|1.609833|1.803608|1.378707|1.333440|1.249901|1.203761|1.228368|1.307375|1.366733|0.071363|0.070537|0.059756|0.056818|0.056363|0.075542|0.073299|0.058346|0.050997|0.048345|0.048492|0.053028|0.067499|0.067313|0.090910|0.090649|0.090733|0.124198|0.214692|0.500000| |2.033905|1.953289|3.894225|2.089178|0.054499|2.398013|3.008506|0.057491|1.970563|1.795035|2.588171|2.412205|0.069643|2.805970|4.683220|4.092213|5.634080|4.957447|5.647485|8.920521|17.722319|8.914295|2.102608|1.985360|1.770909|1.670367|1.740846|1.942549|1.492516|1.460179|1.357006|1.315163|1.361641|1.466161|1.524375|0.060990|0.058547|0.051386|0.051731|0.050171|0.071508|0.071813|0.057238|0.051511|0.046516|0.047328|0.049074|0.073319|0.077325|0.101646|0.099219|0.113935|0.107580|0.124143|0.214837|0.500000| |2.153638|2.140209|4.382596|2.428973|0.063942|2.927474|3.753383|0.071878|2.350061|2.077218|2.941575|3.173955|0.089624|4.039519|6.966883|7.006196|8.913643|5.649356|4.958577|5.651522|8.925193|17.699728|2.721243|2.500137|2.191192|2.071269|2.196263|2.506952|1.810556|1.779551|1.634756|1.579756|1.646524|1.795184|1.876520|0.065011|0.060572|0.053793|0.057536|0.054322|0.085497|0.090636|0.067232|0.061737|0.052846|0.055164|0.054709|0.103723|0.115059|0.150127|0.150731|0.225925|0.124099|0.107620|0.124245|0.215822|0.500000| |2.008912|2.259061|4.740607|3.125376|0.081710|3.834539|6.938492|0.125609|5.302641|3.765089|4.370648|7.002855|0.226283|4.952600|5.606528|3.202345|2.766482|2.570725|2.248082|2.110748|2.213393|2.521351|8.905947|17.697625|8.938087|5.632014|4.965410|5.651479|4.086902|3.305429|2.747958|2.370459|2.338281|2.653542|3.215276|0.055721|0.055913|0.050597|0.061191|0.061288|0.108035|0.097345|0.152888|0.173676|0.099262|0.097000|0.077174|0.113760|0.142513|0.122372|0.081698|0.087531|0.073608|0.058557|0.053248|0.057193|0.070943|0.500000| |1.656524|1.846555|3.707896|2.401198|0.065510|2.733577|4.678222|0.093498|3.601063|2.913830|3.368223|4.099740|0.114319|3.384296|3.871436|2.419041|2.120942|1.974301|1.768339|1.690918|1.778906|1.990357|5.645406|8.947314|17.718830|8.922668|5.662377|4.971960|6.982281|4.797334|3.659446|2.985691|2.902827|3.382152|4.466364|0.045930|0.045629|0.042625|0.051050|0.050531|0.074391|0.071694|0.097147|0.120790|0.079347|0.079785|0.062049|0.085337|0.101324|0.081442|0.063675|0.068193|0.056103|0.046467|0.043359|0.046934|0.056926|0.217311|0.500000| |1.828209|2.070963|4.079432|2.690954|0.079590|2.980497|5.096719|0.118768|3.437333|3.015104|3.517945|4.088896|0.096256|3.763831|3.986122|2.627283|2.184985|2.021966|1.767796|1.663387|1.749043|1.995585|5.635574|4.968024|5.668130|8.901275|17.730720|8.966493|6.968933|6.744408|6.086790|4.717832|4.153945|4.346958|5.342189|0.051600|0.048538|0.047349|0.060064|0.055270|0.074389|0.082797|0.083363|0.109271|0.076786|0.091450|0.065526|0.109785|0.110771|0.076506|0.074075|0.074719|0.058653|0.046423|0.042288|0.045669|0.057157|0.107756|0.124273|0.500000| |2.336276|2.707287|5.587691|3.848540|0.115407|4.605495|8.530514|0.222901|4.791119|3.973894|4.695641|6.914646|0.139502|6.439838|5.962299|3.738287|2.910926|2.675199|2.244196|2.055975|2.155260|2.530767|8.836201|5.645471|4.968676|5.638429|8.998223|17.668678|4.092742|3.791292|3.447886|3.016907|2.871864|3.060982|3.512197|0.066771|0.061424|0.059012|0.078776|0.070205|0.107609|0.132231|0.110767|0.143009|0.094007|0.120105|0.083919|0.209073|0.173361|0.107091|0.108194|0.102873|0.079539|0.058390|0.051252|0.054923|0.071385|0.123720|0.107794|0.218591|0.500000| |1.537724|1.724820|3.342821|2.165430|0.062058|2.325198|3.864266|0.083843|2.913860|2.607709|3.003003|3.038548|0.078412|2.674493|3.055097|2.007219|1.755930|1.655325|1.489377|1.417917|1.478466|1.641377|3.988150|4.389890|6.087454|8.944189|6.556103|4.563562|17.542544|8.914849|7.333532|4.783705|3.985922|4.191571|5.597426|0.042643|0.041511|0.040261|0.049093|0.047301|0.060640|0.062274|0.073818|0.095737|0.070830|0.076793|0.057033|0.073431|0.077947|0.061240|0.055214|0.056625|0.047587|0.039559|0.036612|0.039107|0.046806|0.101994|0.159189|0.180178|0.107095|0.500000| |1.468193|1.626511|3.180438|2.033280|0.057100|2.232068|3.677899|0.077147|2.756688|2.398415|2.813955|3.034251|0.080700|2.695854|3.109769|2.038264|1.793789|1.672942|1.511620|1.454491|1.530586|1.699752|3.975747|4.788745|7.348435|8.937657|5.591633|4.192153|17.560497|8.895032|5.861799|4.295215|3.985767|4.642368|6.829244|0.040848|0.040016|0.038291|0.045735|0.044495|0.059482|0.059940|0.072234|0.089471|0.065343|0.068366|0.053107|0.071814|0.080794|0.063713|0.054973|0.058189|0.047497|0.039905|0.037570|0.040736|0.048916|0.114230|0.225948|0.140604|0.096496|0.304871|0.500000| |1.423972|1.579249|3.004247|1.908774|0.055746|2.016282|3.213870|0.071028|2.330234|2.166039|2.582839|2.481145|0.063240|2.320506|2.687686|1.830943|1.605359|1.510221|1.364878|1.306018|1.365010|1.511248|3.050852|3.088184|3.749726|5.047116|4.902998|3.650010|6.984872|8.913424|17.696928|8.925419|5.650178|4.960017|5.652560|0.039810|0.038100|0.037641|0.045579|0.042997|0.052155|0.055407|0.059096|0.072769|0.058120|0.064775|0.049799|0.065882|0.067772|0.053140|0.051219|0.052190|0.043274|0.036271|0.033830|0.036291|0.043309|0.074077|0.097352|0.164354|0.094067|0.225412|0.150914|0.500000| |1.285540|1.400064|2.637876|1.637012|0.047820|1.727757|2.657448|0.058269|1.879824|1.764948|2.175527|2.062654|0.052892|2.023060|2.393290|1.682971|1.487416|1.390380|1.265779|1.224086|1.287718|1.420327|2.414210|2.393758|2.744820|3.386954|3.451302|2.824766|4.084542|5.631741|8.915543|17.718821|8.920604|5.649959|4.960054|0.036274|0.034351|0.034177|0.040512|0.037837|0.044961|0.048446|0.048428|0.056745|0.047092|0.052257|0.042238|0.058040|0.059669|0.047266|0.047302|0.048671|0.039451|0.033555|0.031823|0.034526|0.041058|0.059111|0.072317|0.113278|0.076320|0.113871|0.099345|0.215912|0.500000| 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