Version2.2 2021-02-06T03:44:06Z 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 CCC[NH+](CC(=O)Nc1ccccc1N2CCCC2=O)CC(=O)Nc3ccc(cc3Cl)Cl C28958909 RHF 6-31G(d) (6D,7F) CCC[NH+](CC(=O)Nc1ccccc1N2CCCC2=O)CC(=O)Nc3ccc(cc3Cl)Cl C01[X(C23H27Cl2N4O3)] 171 C1 542 CCC[NH+](CC(=O)Nc1ccccc1N1CCCC1=O)CC(=O)Nc1ccc(cc1Cl)Cl CCC[NH+](CC(=O)Nc1ccccc1N1CCCC1=O)CC(=O)Nc1ccc(cc1Cl)Cl CCC[NH+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc2ccccc2N3CCCC3=O InChIKey=FFLGXSWERKBYHH-UHFFFAOYSA-O InChI=1S/C23H26Cl2N4O3/c1-2-11-28(14-21(30)26-18-10-9-16(24)13-17(18)25)15-22(31)27-19-6-3-4-7-20(19)29-12-5-8-23(29)32/h3-4,6-7,9-10,13H,2,5,8,11-12,14-15H2,1H3,(H,26,30)(H,27,31)/p+1 InChI=1/C23H26Cl2N4O3/c1-2-11-28(14-21(30)26-18-10-9-16(24)13-17(18)25)15-22(31)27-19-6-3-4-7-20(19)29-12-5-8-23(29)32/h3-4,6-7,9-10,13H,2,5,8,11-12,14-15H2,1H3,(H,26,30)(H,27,31)/p+1/fC23H27Cl2N4O3/h26-28H/q+1 CCC[NH+](CC(=O)Nc1ccccc1N2CCCC2=O)CC(=O)Nc3ccc(cc3Cl)Cl C01[X(C23H27Cl2N4O3)] 171 C01 542 CCC[NH+](CC(=O)Nc1ccccc1N1CCCC1=O)CC(=O)Nc1ccc(cc1Cl)Cl CCC[NH](CC(=O)N[C]1[CH][CH][CH][CH][C]1N1CCCC1=O)CC(=O)N[C]1[CH][CH][C]([CH][C]1Cl)Cl CCC[NH](CC(=O)N[C]1[CH][CH][C](Cl)[CH][C]1Cl)CC(=O)N[C]2[CH][CH][CH][CH][C]2N3CCCC3=O InChIKey=UOLXXUCNVVJFFU-UHFFFAOYSA-N InChI=1S/C23H27Cl2N4O3/c1-2-11-28(14-21(30)26-18-10-9-16(24)13-17(18)25)15-22(31)27-19-6-3-4-7-20(19)29-12-5-8-23(29)32/h3-4,6-7,9-10,13,28H,2,5,8,11-12,14-15H2,1H3,(H,26,30)(H,27,31) InChI=1/C23H27Cl2N4O3/c1-2-11-28(14-21(30)26-18-10-9-16(24)13-17(18)25)15-22(31)27-19-6-3-4-7-20(19)29-12-5-8-23(29)32/h3-4,6-7,9-10,13,28H,2,5,8,11-12,14-15H2,1H3,(H,26,30)(H,27,31)/f/h26-27H 3515.6787768707 -2247.9098378 1-A 21834.2161 125 417 542 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.92462 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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 6 6 7 1 6 6 8 7 6 6 6 6 6 6 7 6 6 6 6 8 6 6 8 7 6 6 6 6 6 6 17 17 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 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 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 11826.2569 33188.2227 36085.7764 0.99987 -0.01564 0.00464 0.01560 0.99983 0.00990 -0.00479 -0.00983 0.99994 1 0.00732 0.00261 0.00240 0.15260 0.05438 0.05001 13.80 19.26 21.99 48.60 57.28 71.42 81.62 96.90 99.53 104.64 116.57 127.07 140.89 160.33 195.50 221.88 245.05 269.07 276.26 293.76 303.95 326.88 335.86 352.92 354.11 378.25 423.66 453.33 465.29 487.84 525.12 533.05 556.90 616.13 634.92 686.95 717.50 728.72 738.24 744.17 756.30 783.26 823.30 830.10 859.99 876.09 903.41 905.64 922.67 947.54 973.69 1003.23 1036.09 1044.46 1114.24 1127.77 1138.70 1155.95 1168.84 1198.94 1226.42 1244.68 1313.25 1334.98 1340.64 1361.28 1379.51 1403.22 1409.61 1420.45 1445.57 1457.80 1462.65 1485.79 1491.40 1531.69 1535.33 1569.71 1584.12 1596.09 1599.32 1607.96 1627.71 1655.61 1664.69 1675.42 1696.14 1715.84 1738.77 1739.50 1748.10 1769.99 1780.09 1813.14 1856.80 1861.40 1870.15 1899.08 1902.39 1914.38 1946.33 1947.65 1971.56 1976.27 1984.05 1993.95 2012.37 2058.22 2060.02 2066.64 2081.26 2101.40 2118.43 2136.47 2154.16 2173.61 2220.77 2239.18 2255.84 2262.04 2281.32 2284.50 2321.15 2338.56 2344.40 2349.19 2354.92 2359.12 2364.45 2367.97 2372.03 2380.00 2382.64 2385.77 2425.25 2462.88 2482.99 2572.50 2580.76 2588.95 2606.11 2765.98 2811.77 2837.95 4626.47 4630.61 4632.53 4636.85 4674.97 4682.68 4705.23 4715.59 4724.68 4735.20 4749.16 4749.45 4759.38 4782.09 4819.42 4825.35 4827.90 4862.27 4878.49 4894.87 4906.74 4912.57 4924.52 4951.28 5192.57 5542.42 5548.52 0.519356 0.548416 0.549360 0.453802 -2247.390482 -2247.361422 -2247.360478 -2247.456035 3.204997D-04 MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE CCC[NH+](CC(=O)Nc1ccccc1N2CCCC2=O)CC(=O)Nc3ccc(cc3Cl)Cl C28958909 RHF 6-31G(d) (6D,10F) C1 477.146021 |X|Y|Z| 65.408098 50.639350 122.440005 74.019758 24 6 7 20 4 |36.858105| |12.450682|36.858105| |7.578658|12.497249|36.858105| |4.926727|7.563918|12.628923|53.358707| |4.743461|7.441418|9.252954|25.548658|0.500000| |4.183196|5.955906|7.620164|17.452407|0.261085|36.858105| |3.315830|4.467573|5.056236|10.651069|0.218860|12.469214|36.858105| |3.229735|4.358484|4.777579|9.985422|0.248038|8.118864|15.922533|73.516695| |2.806553|3.550846|3.886291|7.082993|0.140888|7.821645|14.136710|14.941459|53.358707| |2.354321|2.876538|3.096161|5.410400|0.111684|5.075571|7.905849|12.027202|18.204667|36.858105| |2.232710|2.707880|2.802436|4.756871|0.102800|4.169296|6.166004|11.076913|10.680900|13.748737|36.858105| |1.932395|2.281808|2.358673|3.881909|0.083502|3.242648|4.355240|8.052580|7.013825|7.936987|13.793899|36.858105| |1.781326|2.073907|2.185482|3.567450|0.074959|2.960718|3.809671|6.822834|6.183873|6.879646|7.960805|13.752015|36.858105| |1.841058|2.146582|2.316076|3.818917|0.078195|3.237665|4.131218|7.029091|7.002899|7.957138|6.901889|7.954144|13.791116|36.858105| |2.095244|2.489544|2.732535|4.642987|0.093318|4.159641|5.568833|8.765959|10.620850|13.686666|7.909207|6.840375|7.905575|13.713022|36.858105| |2.099687|2.463863|2.779691|4.653573|0.089675|4.198696|5.032790|7.568745|9.021961|7.712613|5.107217|4.524395|5.149741|7.862085|13.352655|53.358707| |1.879491|2.147459|2.382593|3.799746|0.073117|3.349802|3.745959|5.765979|6.432402|5.246284|3.977993|3.737506|4.346372|6.193049|7.545888|17.643455|36.858105| |1.833309|2.064603|2.334776|3.656869|0.069189|3.116385|3.288064|5.133677|5.214273|3.966958|3.145707|2.971913|3.377429|4.463654|5.144282|10.996575|12.431027|36.858105| |2.091092|2.383968|2.793976|4.461782|0.082004|3.820653|3.884443|5.926243|5.920176|4.191286|3.231996|2.935219|3.203303|4.127270|5.122145|11.137457|7.926068|12.460538|36.858105| |2.269217|2.673728|3.147810|5.361990|0.099580|4.763928|5.298107|7.867602|8.359725|6.005705|4.236687|3.699634|4.005875|5.394785|7.696385|19.157390|8.095467|7.923766|12.570775|36.858105| |2.526787|3.050299|3.727150|6.766577|0.123550|5.841201|6.503634|9.724981|8.923117|5.944055|4.305336|3.657163|3.782864|4.752689|6.544056|11.344476|5.415527|5.340481|7.863721|15.778556|73.516695| |3.836198|5.012414|7.634362|17.371954|0.264267|7.734212|6.232431|10.998988|6.219515|3.770443|3.267476|2.764252|2.627458|2.867759|3.443945|4.841289|2.871492|2.859147|3.605177|4.341025|10.459648|36.858105| |3.630477|4.547778|6.077794|10.615268|0.221934|5.121163|4.700680|9.336259|4.913526|3.187270|2.926206|2.556988|2.419040|2.559857|2.930743|3.983972|2.422744|2.409019|2.903357|3.403650|7.707659|12.480131|36.858105| |4.031577|5.154034|6.248694|9.951166|0.244150|4.774994|4.440138|9.194367|4.621332|3.003268|2.854820|2.491741|2.307695|2.383674|2.694943|3.574834|2.203503|2.155661|2.528604|2.943076|6.405335|8.069946|15.878501|73.516695| |2.961004|3.476899|4.397836|7.079940|0.143631|3.966018|3.795734|7.389727|4.239039|2.871240|2.642385|2.384329|2.314053|2.462534|2.750659|3.792175|2.336955|2.375202|2.852597|3.264375|7.275762|7.913982|14.202956|14.918918|53.358707| |2.629946|2.969722|3.512181|5.290775|0.111100|3.110378|3.043826|5.983392|3.513189|2.444320|2.315605|2.141818|2.083051|2.174818|2.357637|3.209601|2.025685|2.057221|2.393740|2.676078|5.686338|5.043349|7.743466|11.682693|18.302822|36.858105| |2.549004|2.878185|3.228061|4.836738|0.106647|2.882291|2.901000|5.883206|3.351748|2.363306|2.304870|2.149278|2.059938|2.101051|2.245191|2.979313|1.886340|1.880901|2.140760|2.412916|5.037267|4.225577|6.282883|11.426335|10.575636|13.726794|36.858105| |2.233029|2.443972|2.662243|3.863701|0.084181|2.386556|2.405372|4.794430|2.856009|2.039927|2.012147|1.910288|1.842567|1.863610|1.957373|2.598794|1.676426|1.676826|1.876298|2.075397|4.219669|3.245624|4.344135|7.998444|6.984996|7.922532|13.789550|36.858105| |2.046897|2.195478|2.412233|3.441931|0.072959|2.160871|2.150524|4.180437|2.596578|1.856953|1.813449|1.732830|1.695061|1.730173|1.810304|2.440615|1.594651|1.617540|1.807096|1.959414|3.939310|2.918674|3.722778|6.544803|6.188840|6.868664|7.965577|13.775089|36.858105| |2.082205|2.228714|2.515733|3.583123|0.074106|2.246108|2.201677|4.206150|2.664217|1.892387|1.816004|1.726934|1.706194|1.768731|1.865051|2.558615|1.673998|1.723397|1.948539|2.089051|4.218673|3.139946|3.951108|6.564921|7.009803|7.887580|6.868401|7.932456|13.794727|36.858105| |2.336016|2.548418|2.982730|4.325141|0.088257|2.647195|2.564651|4.889645|3.054175|2.142252|2.023040|1.897566|1.873992|1.967110|2.108464|2.918208|1.882070|1.946106|2.248651|2.433446|5.034318|4.006765|5.259404|8.134305|10.704782|13.712719|7.973494|6.909929|8.000957|13.785107|36.858105| |2.263538|2.437147|2.923754|4.182215|0.081706|2.627141|2.485281|4.563772|3.015231|2.099167|1.939153|1.815691|1.820371|1.950228|2.106887|3.008135|1.964749|2.089010|2.453755|2.567165|5.263736|3.948048|4.573842|6.764512|8.703146|6.991718|4.756684|4.233053|4.791273|7.082871|10.925650|448.794386| |1.770672|1.864188|1.999643|2.812109|0.059492|1.810891|1.809318|3.484690|2.224831|1.604903|1.582742|1.531084|1.502143|1.520862|1.571320|2.113885|1.402607|1.421384|1.561568|1.672376|3.293186|2.308131|2.791258|4.989559|4.377766|4.226952|4.776444|7.045552|10.990402|7.069867|4.790589|28.472073|448.794386| |17.564670|8.767524|6.875054|6.215927|0.123097|3.717481|3.021555|5.340128|3.484480|2.189174|2.081345|1.824518|1.694816|1.751292|1.974802|2.701964|1.779141|1.753315|2.003097|2.160927|4.300066|3.796322|3.773231|7.546450|4.237440|2.812665|2.721706|2.394140|2.202576|2.243207|2.511771|19.408883|15.241677|0.500000| |17.554703|8.754147|6.842403|6.180703|0.115888|4.079993|3.168613|5.323832|3.743372|2.295637|2.147823|1.862995|1.733474|1.808180|2.065558|2.861478|1.903597|1.871091|2.138790|2.281254|4.461690|3.627538|3.305299|6.235542|3.758911|2.439837|2.325489|2.051344|1.909279|1.965688|2.206827|17.609132|13.338295|0.300962|0.500000| |17.594634|8.831760|5.515285|5.557678|0.113674|3.632133|3.021963|5.293687|3.549708|2.220445|2.143753|1.866598|1.709865|1.747879|1.969034|2.655788|1.760036|1.703129|1.911851|2.073128|4.050889|3.247701|3.136428|6.257532|3.553581|2.369793|2.344578|2.087026|1.909294|1.917890|2.116102|16.307773|13.455682|0.302256|0.302100|0.500000| |8.845495|17.552254|8.918775|9.490752|0.223874|5.290014|4.380846|8.144493|4.672594|2.856650|2.760934|2.337982|2.101913|2.143082|2.453939|3.238290|2.060651|1.968213|2.250327|2.554574|5.208382|4.856846|4.806822|10.573100|4.922379|3.149859|3.155614|2.662617|2.339782|2.330547|2.646097|19.658954|15.886865|0.211219|0.172718|0.213181|0.500000| |8.866776|17.549834|8.799090|9.329128|0.187355|6.500206|4.859782|8.081426|5.350582|3.102727|2.921057|2.420059|2.175805|2.247686|2.631355|3.517547|2.257359|2.135155|2.442214|2.753870|5.489597|4.503857|3.929189|7.643093|4.206473|2.647977|2.578407|2.212635|1.995997|2.022348|2.294065|17.769991|13.762519|0.173082|0.210697|0.214356|0.302566|0.500000| |6.822608|8.738200|17.598308|12.368739|0.181855|7.337359|4.677416|7.423684|5.177916|3.006271|2.666440|2.255334|2.118847|2.277296|2.704477|3.851866|2.464158|2.448390|2.964503|3.244803|6.693500|6.598982|4.968881|8.502960|5.303711|3.139890|2.837798|2.388838|2.213315|2.340626|2.762640|22.629239|14.912266|0.168425|0.201560|0.139763|0.173189|0.208394|0.500000| |6.935045|8.890794|17.677834|12.411584|0.212527|5.649339|4.218504|7.435788|4.533227|2.768631|2.537229|2.183642|2.043619|2.158434|2.498668|3.467492|2.200054|2.188124|2.611821|2.901300|6.120886|7.591999|7.043248|13.083659|6.864000|4.038144|3.640974|2.970607|2.695871|2.835042|3.408766|26.560826|17.655307|0.206440|0.169354|0.141763|0.215232|0.173593|0.301277|0.500000| |4.685033|6.811389|7.417843|12.339573|0.211775|17.633207|8.862337|11.484094|9.173699|4.513744|3.884365|3.037634|2.737670|2.932918|3.672499|4.980935|3.057062|2.820608|3.330430|3.953625|8.007015|5.643507|4.213886|7.390867|4.548924|2.731841|2.582463|2.182875|1.982789|2.042824|2.361686|18.761657|13.547938|0.109731|0.128581|0.114476|0.158481|0.239444|0.205273|0.146750|0.500000| |3.764399|4.904025|6.535239|12.353118|0.182975|17.650510|8.746325|10.780469|9.686080|4.813706|3.797867|3.043370|2.880724|3.255154|4.239896|6.298207|3.714056|3.559357|4.600071|5.614469|12.194311|7.381291|4.698894|7.404924|5.240224|3.003894|2.712751|2.268207|2.093505|2.213108|2.622006|21.651192|14.124546|0.094725|0.106325|0.090411|0.119003|0.144201|0.200471|0.143043|0.300440|0.500000| |2.776169|3.434845|3.812706|6.629207|0.124974|7.571325|9.505205|10.892385|26.038309|9.243692|5.902925|4.320412|4.033827|4.742882|7.147651|9.812291|5.345132|4.311317|4.968706|6.784284|11.842261|4.327116|3.346475|5.528961|3.986048|2.429651|2.286190|1.964584|1.810046|1.875073|2.149166|17.401489|12.511679|0.070049|0.077322|0.071261|0.089533|0.106216|0.108334|0.090262|0.188320|0.220638|0.500000| |2.393002|2.937825|2.946870|4.962966|0.110407|4.313151|6.347062|11.979924|9.876196|8.967534|17.760908|8.914540|5.652827|4.970503|5.647254|5.648100|3.356778|2.754016|2.874071|3.650800|6.782622|3.267367|2.965223|5.291399|3.566627|2.308509|2.329574|2.032863|1.815927|1.803079|2.001539|15.232003|12.738984|0.061424|0.063259|0.064459|0.084356|0.089327|0.076715|0.073448|0.115543|0.104624|0.151426|0.500000| |1.843090|2.156142|2.189229|3.532249|0.076910|2.877421|3.728422|7.082822|5.691545|5.650661|8.944485|17.737756|8.903405|5.651564|4.936635|4.906733|3.102933|2.550213|2.519368|3.069562|5.460823|2.498934|2.367963|4.174543|3.012784|2.024366|2.063744|1.855684|1.678020|1.654951|1.797712|13.671459|12.017165|0.048464|0.049105|0.049943|0.062012|0.063379|0.057806|0.056694|0.076215|0.074385|0.099446|0.214978|0.500000| |1.624791|1.866019|1.955844|3.132656|0.065854|2.543247|3.150067|5.704815|4.922879|4.956894|5.654269|8.904374|17.735237|8.947881|5.638443|5.697354|3.762775|3.040206|2.836024|3.391444|5.701868|2.325139|2.181193|3.716168|2.880642|1.938818|1.928927|1.749581|1.618859|1.623451|1.763107|13.732123|11.642214|0.043193|0.043940|0.043515|0.052683|0.054031|0.052730|0.051319|0.065928|0.069058|0.091523|0.124122|0.214090|0.500000| |1.707601|1.962735|2.129316|3.448949|0.069883|2.870081|3.483214|5.925356|5.675391|5.658247|4.968679|5.657054|8.943688|17.737583|8.936504|9.894447|6.580325|4.890052|4.239638|5.174567|7.817291|2.639619|2.373717|3.901250|3.171448|2.076812|1.991602|1.783374|1.675525|1.723713|1.908460|15.379939|11.893825|0.045410|0.046836|0.044989|0.054214|0.056627|0.058649|0.055692|0.072444|0.081767|0.111560|0.107850|0.124279|0.216183|0.500000| |1.724542|1.957326|2.140217|3.385134|0.066299|2.911450|3.305415|5.267741|5.568089|4.821830|3.894616|3.883247|4.791540|6.964437|7.043130|12.290022|17.658726|8.706335|5.752737|5.984404|7.896726|2.557655|2.219418|3.624773|2.940332|1.904141|1.792258|1.607528|1.530318|1.596425|1.776022|14.753526|10.892982|0.045530|0.048251|0.045220|0.052727|0.057005|0.060804|0.055378|0.074654|0.087065|0.122017|0.090244|0.089848|0.118413|0.230949|0.500000| |1.915941|2.181143|2.389074|3.752224|0.071957|3.384116|3.709416|5.594676|6.535117|5.062158|3.888619|3.566344|3.957595|5.217675|6.438988|12.334166|17.546566|8.706213|6.488666|6.453815|8.366164|2.748044|2.308495|3.780050|2.986016|1.906507|1.785120|1.590548|1.510715|1.579985|1.769757|14.789829|10.711819|0.049919|0.054293|0.050038|0.057641|0.064576|0.069294|0.060582|0.088232|0.104327|0.158772|0.093280|0.083353|0.095404|0.144724|0.302689|0.500000| |1.706379|1.911507|2.154150|3.364482|0.064435|2.781890|2.966760|4.776920|4.581621|3.595942|2.949136|2.875237|3.351027|4.408844|4.702484|9.076885|8.842611|17.581195|8.839151|6.554083|8.524552|2.676069|2.312797|3.675466|3.165651|2.040418|1.866862|1.675625|1.625515|1.734386|1.947535|16.809507|11.509940|0.045709|0.048082|0.044165|0.051124|0.054414|0.062044|0.056851|0.069847|0.086337|0.101020|0.071552|0.069088|0.085836|0.142314|0.223569|0.174786|0.500000| |1.757132|1.950915|2.186102|3.338878|0.063044|2.832256|2.907621|4.547492|4.561248|3.387995|2.768349|2.622091|2.925803|3.688585|4.144017|7.921743|8.720153|17.617270|8.675706|5.733077|7.591085|2.570859|2.183268|3.507617|2.923830|1.879640|1.723506|1.549201|1.502340|1.600389|1.793792|15.536863|10.683422|0.046627|0.050241|0.045491|0.051352|0.056195|0.064353|0.056938|0.072843|0.089839|0.105823|0.068673|0.063638|0.074371|0.110829|0.191966|0.219414|0.302240|0.500000| |2.032208|2.293589|2.717523|4.288092|0.078825|3.489604|3.484260|5.498853|5.036720|3.586627|2.875938|2.655859|2.895038|3.622029|4.261853|8.197719|5.724525|8.620782|17.616662|8.887926|12.590648|3.612274|2.960930|4.513906|4.084888|2.522156|2.217404|1.947168|1.897019|2.074289|2.408820|21.670856|13.111952|0.054781|0.057629|0.051417|0.060411|0.064146|0.079845|0.072132|0.084178|0.115142|0.112676|0.071925|0.064297|0.072565|0.104914|0.129071|0.133223|0.220259|0.189161|0.500000| |2.225456|2.523161|2.974845|4.644953|0.083556|4.068201|3.897331|5.798724|5.891933|3.919118|3.050280|2.718270|2.878213|3.571211|4.460667|8.871157|6.511276|8.721373|17.522679|8.983709|12.003319|3.648362|2.876923|4.485732|3.772933|2.318934|2.072920|1.817564|1.751234|1.888817|2.179746|19.184338|12.169253|0.058777|0.064151|0.056210|0.064979|0.072278|0.090179|0.076254|0.100109|0.142250|0.143782|0.077144|0.065558|0.070910|0.099155|0.133916|0.171653|0.174561|0.218028|0.302617|0.500000| |3.238327|4.130498|5.612949|12.285525|0.212284|7.611888|7.209763|12.481382|7.276369|4.479023|3.728570|3.133056|3.018169|3.375926|4.161666|5.892935|3.330879|3.293715|4.256575|5.516323|14.973936|17.656091|8.825308|11.050120|9.592302|4.667120|3.962764|3.087785|2.790246|2.996738|3.778746|30.224084|17.880777|0.087790|0.086272|0.078511|0.112346|0.108922|0.143848|0.148557|0.148594|0.212408|0.138129|0.100295|0.076972|0.073142|0.085732|0.081662|0.086559|0.085651|0.080094|0.117759|0.115532|0.500000| |3.812512|4.677230|7.383639|12.328406|0.184335|6.526032|4.994853|8.356579|5.423746|3.317894|2.859556|2.463067|2.383550|2.629284|3.132006|4.578494|2.800954|2.881037|3.708205|4.199323|9.723528|17.607564|8.772097|11.014574|9.515808|4.678852|3.789066|3.011574|2.804409|3.101785|3.979529|33.982561|17.969851|0.106286|0.103820|0.088242|0.120032|0.116098|0.202163|0.214614|0.141363|0.197191|0.110084|0.078763|0.062052|0.059192|0.068506|0.068786|0.074790|0.074618|0.072920|0.105613|0.107038|0.301357|0.500000| |2.752636|3.194389|4.085970|6.604801|0.127637|3.913615|3.734519|6.997718|4.282831|2.915774|2.625208|2.380981|2.355352|2.557657|2.869439|4.064521|2.502830|2.598322|3.187633|3.606675|8.141741|7.685540|9.484806|10.845729|26.019606|9.259228|5.833666|4.306462|4.058372|4.802847|7.296759|58.809489|23.892252|0.079480|0.072939|0.067431|0.089699|0.080451|0.105272|0.126195|0.090626|0.110189|0.083532|0.071037|0.060769|0.059818|0.068022|0.063835|0.064562|0.071012|0.064861|0.095537|0.085214|0.208504|0.207872|0.500000| |2.713274|3.144761|3.460068|5.316879|0.122709|3.134002|3.218968|6.766968|3.647229|2.566744|2.538013|2.344267|2.206579|2.225178|2.387771|3.110467|1.949093|1.912904|2.170585|2.491755|5.230328|4.475469|6.771939|13.773221|9.672017|8.937129|17.796571|8.956995|5.668286|4.955787|5.667199|31.496055|31.658535|0.079549|0.067776|0.069717|0.098453|0.078372|0.082565|0.106503|0.077996|0.079844|0.067999|0.072190|0.062772|0.057015|0.057810|0.051452|0.051423|0.052419|0.048547|0.061554|0.058448|0.116639|0.106605|0.147637|0.500000| |2.138238|2.330714|2.471774|3.571201|0.078847|2.237284|2.280138|4.575580|2.724173|1.959513|1.963297|1.876466|1.796786|1.793746|1.868464|2.453380|1.589461|1.575859|1.743396|1.931021|3.884741|2.898655|3.755206|7.173423|5.661123|5.643506|8.936799|17.758910|8.927769|5.649452|4.974409|27.441303|53.742290|0.063376|0.054303|0.056294|0.071297|0.059055|0.061521|0.075508|0.057522|0.058584|0.051843|0.055507|0.051195|0.047638|0.047547|0.042580|0.042055|0.043728|0.040550|0.049835|0.046953|0.077094|0.074246|0.098866|0.215938|0.500000| 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