Version2.0 2020-07-26T11:32:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(=O)Nc5cc(c4ccc(c3cc(C(=O)Nc2ccnc(N1CCCC1)c2)ccc3C)cc4)[nH]n5 493317 CHEMBL498188 RHF 6-31G(d) (6D,7F) CC(=O)Nc5cc(c4ccc(c3cc(C(=O)Nc2ccnc(N1CCCC1)c2)ccc3C)cc4)[nH]n5 C01[X(C28H28N6O2)] 186 C1 596 CC(=O)Nc1n[nH]c(c1)c1ccc(cc1)c1cc(ccc1C)C(=O)Nc1ccnc(c1)N1CCCC1 CC(=O)Nc1n[nH]c(c1)c1ccc(cc1)c1cc(ccc1C)C(=O)Nc1ccnc(c1)N1CCCC1 CC(=O)Nc1cc([nH]n1)c2ccc(cc2)c3cc(ccc3C)C(=O)Nc4ccnc(c4)N5CCCC5 InChIKey=QFFQVYMILDTYCQ-UHFFFAOYSA-N InChI=1S/C28H28N6O2/c1-18-5-6-22(28(36)31-23-11-12-29-27(16-23)34-13-3-4-14-34)15-24(18)20-7-9-21(10-8-20)25-17-26(33-32-25)30-19(2)35/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,29,31,36)(H2,30,32,33,35) InChI=1/C28H28N6O2/c1-18-5-6-22(28(36)31-23-11-12-29-27(16-23)34-13-3-4-14-34)15-24(18)20-7-9-21(10-8-20)25-17-26(33-32-25)30-19(2)35/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,29,31,36)(H2,30,32,33,35)/f/h30-32H CC(=O)Nc5cc(c4ccc(c3cc(C(=O)Nc2ccnc(N1CCCC1)c2)ccc3C)cc4)[nH]n5 C01[X(C28H28N6O2)] 186 C01 596 CC(=O)Nc1n[nH]c(c1)c1ccc(cc1)c1cc(ccc1C)C(=O)Nc1ccnc(c1)N1CCCC1 CC(=O)N[C]1[N][NH][C]([CH]1)[C]1[CH][CH][C]([CH][CH]1)[C]1[CH][C]([CH][CH][C]1C)C(=O)N[C]1[CH][CH][N][C]([CH]1)N1CCCC1 C[C]1[CH][CH][C]([CH][C]1[C]2[CH][CH][C]([CH][CH]2)[C]3[CH][C]([N]N3)NC(C)=O)C(=O)N[C]4[CH][CH][N][C]([CH]4)N5CCCC5 InChIKey=QFFQVYMILDTYCQ-UHFFFAOYSA-N InChI=1S/C28H28N6O2/c1-18-5-6-22(28(36)31-23-11-12-29-27(16-23)34-13-3-4-14-34)15-24(18)20-7-9-21(10-8-20)25-17-26(33-32-25)30-19(2)35/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,29,31,36)(H2,30,32,33,35) InChI=1/C28H28N6O2/c1-18-5-6-22(28(36)31-23-11-12-29-27(16-23)34-13-3-4-14-34)15-24(18)20-7-9-21(10-8-20)25-17-26(33-32-25)30-19(2)35/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,29,31,36)(H2,30,32,33,35)/f/h30-32H 3298.4211037557 -1553.0890627 1-A 39940.6112 127 469 596 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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| 10.0598 11.6937 13.7015 15.9289 27.9768 40.7435 45.1197 50.8787 61.1042 64.0114 73.0060 82.6653 93.5005 97.9075 105.7041 127.8070 132.0673 151.4049 157.2096 165.0961 168.4520 211.1162 236.6712 242.6831 249.0007 268.4650 295.8479 308.3811 337.6382 346.7688 360.0076 372.7912 392.7468 399.2633 418.5533 432.5129 457.9230 466.9837 476.7477 510.4821 514.5643 528.9862 535.7740 553.1633 577.9205 601.3263 606.0896 623.4709 628.8125 648.5796 666.3893 668.5896 699.8883 701.0911 723.6116 739.4740 742.0326 766.3803 798.5238 801.0322 812.9673 831.2226 838.1194 841.1418 850.6857 857.4442 867.8630 883.4683 923.3198 939.0341 944.1501 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1867.27 1883.10 1886.52 1894.92 1899.57 1916.02 1929.24 1949.78 1976.98 1977.87 1989.57 2011.75 2020.73 2038.44 2074.51 2093.18 2097.16 2102.96 2142.10 2154.60 2193.53 2218.29 2220.51 2228.71 2246.81 2260.15 2263.73 2318.00 2338.35 2339.36 2341.10 2348.77 2353.74 2356.17 2368.67 2373.27 2392.71 2403.60 2411.18 2424.65 2426.40 2451.85 2507.55 2520.47 2538.99 2546.89 2600.26 2608.80 2622.52 2633.68 2821.77 2848.31 4584.38 4612.02 4627.56 4628.01 4628.52 4631.47 4673.88 4702.83 4711.94 4712.50 4715.18 4738.25 4739.78 4804.94 4821.26 4833.39 4838.24 4849.13 4856.69 4861.41 4865.90 4879.43 4899.09 5032.81 5045.07 5569.61 5606.71 5654.92 0.561202 0.591816 0.592761 0.491652 -1552.527860 -1552.497246 -1552.496302 -1552.597410 3.391179D-04 MUNgauss RevisionA2.0 retrievium 26-Jul-2020 DUDE CC(=O)Nc5cc(c4ccc(c3cc(C(=O)Nc2ccnc(N1CCCC1)c2)ccc3C)cc4)[nH]n5 493317 CHEMBL498188 RHF 6-31G(d) (6D,10F) C1 480.227374 |X|Y|Z| 187.056968 65.235078 26.357000 68.514688 30 6 7 25 5 |36.858105| |12.584754|36.858105| |7.994719|15.913582|73.516695| |7.894887|13.981979|15.016295|53.358707| |5.066535|7.739279|11.861244|18.622374|36.858105| |4.145806|6.132246|11.576222|10.213503|13.479743|36.858105| |3.272675|4.349676|7.888081|7.286436|8.707200|13.911215|36.858105| |2.654696|3.346500|6.262828|5.190397|5.222157|7.366566|12.920890|36.858105| |2.310792|2.802261|5.129912|4.337441|4.136609|5.087577|7.633732|13.703721|36.858105| |2.003817|2.371709|4.386635|3.555461|3.214424|3.853140|5.057441|7.902467|13.760566|36.858105| |1.934781|2.284886|4.310872|3.337953|2.956004|3.611251|4.449587|6.786680|7.893297|13.706851|36.858105| |1.685421|1.945734|3.659743|2.800812|2.399130|2.821150|3.296690|4.425907|5.033461|7.598653|12.721880|36.858105| |1.559341|1.777679|3.299285|2.573498|2.184612|2.494440|2.912440|3.734494|4.285704|6.042311|7.681323|13.735411|36.858105| |1.403786|1.578888|2.925838|2.264106|1.885860|2.117345|2.404806|2.942826|3.288681|4.270387|5.045056|7.857733|13.714722|36.858105| |1.309399|1.458339|2.676711|2.097940|1.733235|1.907665|2.156708|2.559125|2.841292|3.498624|3.853170|5.053623|7.707831|12.688716|36.858105| |1.331197|1.482118|2.706659|2.144056|1.774946|1.941001|2.206587|2.600032|2.864214|3.445430|3.731706|4.546623|6.762775|8.086104|15.901755|73.516695| |1.205494|1.331128|2.438408|1.905672|1.557465|1.697826|1.893700|2.200676|2.432054|2.917602|3.130563|3.964097|5.250481|7.873228|13.929926|14.947155|53.358707| |1.122313|1.229319|2.239884|1.759131|1.425971|1.535276|1.699359|1.934829|2.118266|2.462471|2.583447|3.094898|3.877317|5.038495|7.625906|11.597247|18.534792|36.858105| |1.051332|1.145258|2.085992|1.631856|1.313320|1.407661|1.543786|1.738983|1.897026|2.177923|2.265228|2.676205|3.182882|3.999656|5.144848|7.891888|10.874582|13.583633|36.858105| |0.987887|1.069663|1.941067|1.523054|1.218221|1.294827|1.411925|1.569514|1.699133|1.913975|1.971259|2.264090|2.636358|3.150767|3.921007|6.470425|7.143511|8.035858|13.890664|36.858105| |0.978410|1.057230|1.912436|1.508377|1.204956|1.274385|1.389803|1.535751|1.654361|1.844974|1.892819|2.138636|2.498636|2.908452|3.671251|6.430900|6.209077|6.853902|7.975102|14.408203|53.358707| |1.031826|1.118817|2.022793|1.601869|1.285616|1.361870|1.494219|1.658887|1.787782|2.000455|2.058481|2.326117|2.781681|3.229911|4.293233|7.935687|6.993827|7.976334|6.999144|8.408241|19.532368|36.858105| |1.011911|1.093185|1.969203|1.566895|1.253209|1.318469|1.442579|1.585383|1.694726|1.867020|1.910451|2.110668|2.489767|2.784271|3.564202|6.906111|5.345483|5.239414|4.671459|5.460491|11.356662|14.040326|53.358707| |0.943298|1.012793|1.820004|1.448206|1.150265|1.202277|1.305782|1.419297|1.509374|1.642386|1.670010|1.821473|2.096656|2.308751|2.818462|5.329295|4.210557|3.925245|3.820166|4.700426|9.493007|7.726526|17.805899|36.858105| |0.943846|1.010709|1.809351|1.448345|1.147945|1.192502|1.293829|1.395039|1.475345|1.586496|1.604537|1.720807|1.966983|2.112544|2.533343|4.909112|3.627130|3.197442|3.017323|3.463059|6.193332|5.230456|11.093024|12.460982|36.858105| |0.996407|1.070652|1.919781|1.535196|1.220678|1.272381|1.383694|1.497630|1.575040|1.696243|1.730909|1.856143|2.141388|2.290110|2.776968|5.558037|3.858530|3.337949|2.997898|3.278476|5.672618|5.211362|11.071908|7.943203|12.450509|36.858105| |1.057038|1.143608|2.056638|1.643975|1.317658|1.384294|1.518842|1.666620|1.770465|1.937788|1.985769|2.165118|2.566344|2.795309|3.563613|7.341175|4.968128|4.460668|3.759587|4.011801|7.092856|7.662653|17.845253|7.845054|7.937020|12.447356|36.858105| |1.110860|1.213359|2.201046|1.741163|1.408913|1.505887|1.666823|1.879485|2.041059|2.329802|2.423862|2.806843|3.498837|4.223224|6.275013|11.706456|10.573553|13.839416|7.948653|7.041437|10.779404|13.509893|10.792144|5.071509|4.052930|4.378417|6.577719|36.858105| |1.355928|1.519657|2.836211|2.153981|1.776427|2.000094|2.225441|2.688340|2.942455|3.723144|4.449834|6.841427|7.976980|13.738754|7.477320|9.456017|8.904012|4.456265|3.850539|3.026183|3.700406|2.903516|3.396756|2.119509|1.924259|2.056922|2.451813|3.625616|36.858105| |1.435833|1.620058|3.054476|2.281111|1.885372|2.156368|2.382652|2.914280|3.153865|4.016107|5.025086|7.943548|6.938212|7.941408|5.008357|7.165858|6.067319|3.374828|3.044863|2.501067|3.096302|2.399153|2.880541|1.837901|1.693037|1.801514|2.096809|2.876033|13.768444|36.858105| |1.602452|1.835342|3.483346|2.596035|2.181164|2.554599|2.867446|3.664573|3.987401|5.351041|7.509142|13.584171|7.908923|6.788498|4.424283|6.776216|5.108275|2.942479|2.630415|2.216664|2.802772|2.193446|2.687713|1.723082|1.613139|1.723473|1.990879|2.606249|7.868025|13.717090|36.858105| |1.698130|1.956353|3.770785|2.728693|2.281084|2.716321|2.965638|3.733744|3.891784|4.826956|6.349823|7.467192|4.996931|4.411692|3.274255|5.219290|3.959272|2.397029|2.204193|1.903768|2.419344|1.870224|2.323592|1.516059|1.430169|1.518049|1.720734|2.160789|5.020595|7.600421|12.594461|36.858105| |2.126301|2.556929|4.930155|3.690218|3.293615|4.225246|5.069804|7.907552|6.901392|7.978271|13.685736|7.564600|5.426995|4.013451|3.227664|5.689005|3.646883|2.270578|2.009733|1.776545|2.342321|1.868505|2.392704|1.550418|1.502787|1.629814|1.842698|2.166044|3.697133|4.204386|5.869427|5.754290|36.858105| |2.503435|3.121182|6.062050|4.586266|4.306085|6.044571|7.664363|13.688826|7.965075|6.897575|7.891441|5.025547|4.051364|3.168614|2.691891|4.836572|3.116653|1.993195|1.783300|1.601268|2.128352|1.692465|2.194958|1.437664|1.407942|1.522244|1.698018|1.929192|2.930552|3.243104|4.188703|4.329115|13.787073|36.858105| |3.273378|4.188097|7.046588|7.602608|9.121310|8.764015|14.201311|7.710888|6.349300|4.372663|3.710570|2.886605|2.654148|2.225125|2.044797|3.758050|2.462201|1.643849|1.496043|1.378783|1.858281|1.468913|1.943794|1.298292|1.295113|1.380918|1.508067|1.626924|2.040362|2.139618|2.508610|2.535037|3.946714|5.215821|53.358707| |2.851038|3.479693|5.854815|6.070042|6.310736|6.070723|9.074643|6.846198|6.518236|4.538082|3.722744|2.926736|2.755202|2.301583|2.139702|3.968209|2.567885|1.718997|1.557278|1.436329|1.942381|1.541800|2.044536|1.362376|1.362732|1.453424|1.591604|1.710030|2.079740|2.149788|2.501453|2.468734|3.792529|4.738347|26.129488|0.500000| |4.054358|5.292899|8.182920|11.229155|14.656267|8.451178|8.528489|5.245882|4.435877|3.363744|2.980731|2.419353|2.243181|1.928304|1.790620|3.285480|2.185595|1.475033|1.354069|1.257994|1.699422|1.336448|1.778028|1.197891|1.199648|1.274826|1.377637|1.464623|1.791960|1.877214|2.161343|2.210059|3.201077|4.078877|19.351053|0.262429|53.358707| |17.646681|8.971489|13.511466|7.828866|4.171657|3.677050|2.935958|2.455929|2.144338|1.888527|1.846440|1.623156|1.498221|1.356599|1.263338|2.275560|1.587934|1.086464|1.020480|0.959275|1.291381|0.998317|1.331384|0.913080|0.912108|0.962431|1.019697|1.073388|1.319293|1.401709|1.558551|1.662772|2.036827|2.368238|3.896657|0.070003|4.612999|0.500000| |17.552120|8.858046|10.977048|9.580123|4.710441|3.802751|3.098256|2.527155|2.209273|1.923578|1.859546|1.626763|1.519331|1.370249|1.287066|2.339181|1.611940|1.106866|1.035266|0.975637|1.320169|1.024914|1.373788|0.942043|0.946377|1.000788|1.058178|1.101112|1.317322|1.384981|1.538249|1.612474|2.039905|2.390125|4.313398|0.077843|5.376499|0.299567|0.500000| |17.552877|8.855255|10.957964|9.600964|4.711762|3.807447|3.100460|2.529364|2.248190|1.949146|1.860848|1.627422|1.509141|1.362292|1.273161|2.296164|1.601931|1.097767|1.031527|0.970465|1.307022|1.010192|1.347652|0.924897|0.924932|0.972631|1.031256|1.085246|1.316779|1.392598|1.549824|1.641328|2.013554|2.347394|4.316432|0.077534|5.372428|0.299526|0.301243|0.500000| |7.585212|9.340094|10.836968|26.045196|9.435383|5.667515|4.561160|3.372520|2.924321|2.420668|2.253703|1.914606|1.781361|1.576968|1.474780|2.687883|1.830996|1.249208|1.160999|1.088117|1.470721|1.146765|1.532112|1.043846|1.047406|1.107754|1.181701|1.241039|1.496121|1.571806|1.772468|1.844700|2.444654|2.965363|6.971442|0.119255|10.679804|0.148723|0.206842|0.207467|0.500000| |4.178123|6.238297|13.726366|8.755753|8.542293|17.882085|8.667422|6.326673|4.478978|3.602921|3.533190|2.800106|2.439089|2.087687|1.865268|3.347356|2.267574|1.502983|1.382921|1.270459|1.696512|1.327695|1.745040|1.170250|1.156918|1.234246|1.341644|1.467417|2.001515|2.186379|2.596082|2.833587|4.272487|6.010768|8.068334|0.127318|7.917163|0.107261|0.103922|0.104335|0.135227|0.500000| |2.319703|2.783639|4.972987|4.402331|4.188629|4.798554|7.025116|8.896436|17.713613|8.949919|5.635874|4.110206|3.683156|2.942501|2.616292|4.702374|3.107225|2.018513|1.823295|1.646017|2.186184|1.728215|2.238743|1.474683|1.446170|1.532447|1.713256|1.953305|2.644695|2.789595|3.389995|3.319536|4.966964|5.651051|9.356024|0.210659|6.460347|0.059222|0.061643|0.063638|0.084074|0.113978|0.500000| |1.841523|2.141340|3.918847|3.204593|2.832863|3.259621|4.119331|5.636562|8.941386|17.717944|8.918594|7.045984|6.213737|4.515810|3.740345|6.441814|4.289350|2.645089|2.342105|2.044192|2.664900|2.116749|2.665045|1.718175|1.649220|1.748967|2.012358|2.475314|3.877314|4.059672|5.142059|4.460147|5.660906|4.964857|5.160414|0.112132|4.093746|0.048274|0.049232|0.050218|0.061519|0.084743|0.216821|0.500000| |1.592608|1.816745|3.341070|2.660624|2.274907|2.572183|3.060184|3.913464|4.559824|6.267544|7.154084|8.928244|17.748999|8.973759|7.259963|13.460824|6.647213|3.799246|3.067979|2.593480|3.421995|2.853948|3.538737|2.174598|2.067899|2.273084|2.741363|3.595542|5.678224|4.988517|5.632085|4.069464|5.235700|4.116475|3.868469|0.083607|3.232614|0.042238|0.043353|0.042804|0.051408|0.068664|0.109729|0.179439|0.500000| |1.195091|1.319387|2.423477|1.882377|1.535615|1.678653|1.864119|2.168023|2.402667|2.896707|3.112021|4.006376|5.047057|7.656917|9.461486|10.901183|26.105201|9.413059|7.725815|4.974277|5.591318|4.318483|4.592572|2.770922|2.392775|2.498877|3.103127|5.784453|7.492851|4.973201|3.982275|3.082943|2.647968|2.255623|2.411679|0.051047|2.144991|0.032195|0.032491|0.032471|0.036850|0.045965|0.062715|0.087510|0.124212|0.500000| |1.049603|1.143920|2.089038|1.625404|1.307105|1.405397|1.537027|1.734878|1.895931|2.186509|2.279891|2.720490|3.167197|4.016143|4.787751|7.059405|9.912282|8.783606|17.723238|8.929647|7.743871|5.018931|5.033687|3.165662|2.584331|2.564866|3.108314|5.632948|4.088611|3.249061|2.744290|2.307690|2.014868|1.781155|2.017556|0.042671|1.827068|0.028350|0.028616|0.028641|0.032062|0.038495|0.050585|0.065533|0.082704|0.233844|0.500000| |0.943633|1.018251|1.847339|1.445970|1.151515|1.220757|1.323918|1.462848|1.579032|1.766045|1.812544|2.065004|2.352532|2.768179|3.287193|5.411597|5.760482|5.678423|8.983070|17.689593|12.752119|5.913760|6.007738|4.139972|3.120655|2.889596|3.363420|5.037096|2.726150|2.307595|2.048024|1.786725|1.642725|1.489406|1.761009|0.037328|1.614997|0.025496|0.025865|0.025796|0.028727|0.033340|0.042658|0.052322|0.063899|0.116944|0.215556|0.500000| |0.912268|0.977895|1.761276|1.392404|1.102472|1.153953|1.246669|1.353439|1.430679|1.555487|1.593546|1.743276|1.989110|2.203577|2.652355|4.935270|3.990368|3.684067|3.693366|4.613937|9.025269|6.638137|12.320669|17.529434|8.745546|6.595270|6.208862|4.550683|2.057417|1.790277|1.667231|1.473840|1.488823|1.378868|1.679985|0.035800|1.555009|0.024595|0.025295|0.024825|0.027844|0.031330|0.038705|0.044970|0.056671|0.073881|0.086162|0.116375|0.500000| |0.926720|0.993879|1.783728|1.422253|1.128919|1.177779|1.279521|1.388731|1.484995|1.615349|1.629682|1.775623|2.033570|2.237188|2.704501|5.021783|4.101178|3.828802|3.891044|4.972404|9.990618|7.027786|12.350132|17.626100|8.694711|5.719604|5.875338|4.701849|2.066164|1.798604|1.685728|1.488234|1.504933|1.398365|1.735772|0.037207|1.602608|0.024907|0.025672|0.025308|0.028513|0.031815|0.040520|0.047267|0.058380|0.076177|0.090227|0.125381|0.302954|0.500000| |0.900056|0.960132|1.717991|1.372008|1.082255|1.121138|1.209446|1.296453|1.363355|1.457060|1.474822|1.573920|1.776978|1.899940|2.233275|4.275626|3.192168|2.761825|2.662618|3.056230|5.277704|4.198405|7.919379|8.711797|17.576903|8.673797|5.661869|3.358920|1.752579|1.557778|1.486001|1.329333|1.391175|1.309492|1.648422|0.035283|1.535598|0.024201|0.025093|0.024508|0.027596|0.030273|0.037164|0.041900|0.051579|0.059355|0.064569|0.078705|0.218743|0.193351|0.500000| |0.954258|1.021369|1.822507|1.469015|1.165323|1.205866|1.312218|1.410971|1.499817|1.606918|1.608160|1.712148|1.955330|2.077339|2.479053|4.818849|3.522895|3.066778|2.889662|3.272061|5.689209|4.757271|9.262670|8.836595|17.539708|8.826913|6.818897|3.828943|1.880268|1.661956|1.595532|1.417099|1.500139|1.412491|1.798997|0.038805|1.665967|0.025555|0.026593|0.026030|0.029585|0.032368|0.041095|0.046626|0.057532|0.064788|0.069314|0.082363|0.174326|0.221129|0.301703|0.500000| |0.973669|1.044837|1.878347|1.491461|1.182262|1.234662|1.335193|1.443716|1.506713|1.621251|1.669873|1.795297|2.055387|2.208980|2.646816|5.231763|3.684662|3.157661|2.870021|3.135693|5.333514|4.727956|9.203423|6.828698|8.829635|17.544639|8.839884|4.028871|2.010298|1.766269|1.681804|1.487013|1.585377|1.478601|1.804613|0.038550|1.671294|0.026196|0.027168|0.026354|0.029847|0.033415|0.040541|0.046129|0.059982|0.066773|0.068810|0.077611|0.184279|0.137910|0.216930|0.174088|0.500000| |1.013111|1.087239|1.943294|1.563024|1.241975|1.288500|1.401683|1.508189|1.580771|1.687204|1.712275|1.811690|2.078235|2.179715|2.601255|5.267698|3.527206|2.952689|2.640106|2.819266|4.679464|4.188503|7.927350|5.661973|8.660229|17.579949|8.713236|3.753201|1.947747|1.724194|1.669842|1.478600|1.621252|1.526994|1.915020|0.041254|1.771738|0.027131|0.028353|0.027458|0.031408|0.034604|0.042842|0.048127|0.061926|0.063818|0.063870|0.069880|0.134800|0.126383|0.195837|0.216533|0.301782|0.500000| |1.101466|1.194391|2.141213|1.727151|1.390640|1.457837|1.611904|1.770785|1.896531|2.074393|2.099684|2.269191|2.713694|2.899273|3.711863|7.889933|5.024756|4.373332|3.611248|3.733158|6.302479|6.569694|12.309237|6.154928|6.551930|8.750185|17.505804|6.300044|2.488971|2.134423|2.052992|1.768916|1.933117|1.787783|2.192567|0.047586|1.993247|0.029409|0.030649|0.029882|0.034542|0.039011|0.051212|0.060192|0.082280|0.086785|0.083928|0.087380|0.134617|0.144038|0.134302|0.182630|0.174758|0.219900|0.500000| |1.086950|1.179576|2.129566|1.691702|1.358466|1.435858|1.574807|1.738525|1.834765|2.019024|2.101677|2.310790|2.761386|3.032863|3.911807|8.247733|5.319399|4.651031|3.779982|3.868809|6.499635|6.910512|12.310045|5.898016|5.734472|8.731592|17.570152|6.832577|2.645278|2.243723|2.121830|1.820442|1.960772|1.791855|2.111988|0.045318|1.924432|0.029168|0.030216|0.029357|0.033654|0.038783|0.048835|0.057728|0.081740|0.090898|0.087370|0.089779|0.146185|0.128767|0.126864|0.137839|0.223297|0.193683|0.301910|0.500000| |1.163581|1.275033|2.311118|1.836121|1.492413|1.597049|1.778257|2.012860|2.181625|2.490462|2.599155|2.985068|3.804846|4.456779|6.841436|15.115017|9.546732|8.955408|5.652055|5.053091|7.710344|8.800889|9.726217|4.625313|4.010598|4.641348|7.382268|17.885616|3.647910|2.912078|2.697432|2.222039|2.327454|2.070766|2.364792|0.050936|2.118457|0.031161|0.032110|0.031495|0.036333|0.043075|0.057700|0.072935|0.112512|0.143626|0.123683|0.109193|0.114112|0.115935|0.091886|0.106288|0.117109|0.113745|0.210525|0.231827|0.500000| |1.261079|1.401514|2.609489|1.978019|1.614775|1.798483|1.977224|2.334312|2.526969|3.085356|3.556919|4.936482|5.646372|8.862204|6.812457|8.648766|9.666589|4.896493|4.389051|3.359993|4.000539|3.077441|3.531736|2.208390|1.972851|2.093416|2.494284|3.813675|17.715422|8.973184|5.633023|4.114992|3.074734|2.521901|2.491895|0.051819|2.215681|0.034183|0.034097|0.034073|0.038326|0.050079|0.064182|0.089464|0.124313|0.247442|0.133940|0.084292|0.060169|0.059862|0.050015|0.053109|0.057226|0.054431|0.069140|0.074774|0.102761|0.500000| |1.379046|1.546527|2.924698|2.158303|1.764552|2.007979|2.179082|2.605142|2.771871|3.389096|4.085079|5.646588|4.985570|5.657280|4.079620|5.983767|5.258767|3.053739|2.856855|2.375957|2.920764|2.224121|2.677151|1.730884|1.590812|1.680089|1.931604|2.605471|8.963251|17.714215|8.936973|7.096246|3.606511|2.887171|2.669095|0.054355|2.373726|0.037603|0.036867|0.037201|0.041332|0.057063|0.069105|0.094830|0.108124|0.121719|0.086177|0.061869|0.047221|0.047197|0.040945|0.043260|0.046029|0.044575|0.054134|0.057177|0.072175|0.218165|0.500000| |1.774432|2.055699|4.015681|2.836590|2.365300|2.857568|3.059365|3.825819|3.758686|4.434816|5.993406|6.396588|4.480030|3.936167|3.018386|4.930935|3.628268|2.231880|2.046297|1.787336|2.293813|1.780253|2.233718|1.461502|1.387749|1.481693|1.668336|2.044853|4.352560|6.067638|8.814434|17.556380|6.316603|4.712378|3.495706|0.068571|3.069069|0.048512|0.046771|0.047224|0.052846|0.084568|0.088080|0.109345|0.104956|0.077075|0.058912|0.046606|0.039586|0.039647|0.035948|0.038096|0.040511|0.040238|0.047494|0.049282|0.058843|0.101789|0.161107|0.500000| |1.807260|2.099987|4.046087|2.947895|2.490387|2.997141|3.305152|4.222854|4.505050|5.561720|6.803114|6.835348|4.627711|3.947913|3.027377|4.905498|3.674297|2.255205|2.081383|1.812445|2.312896|1.786214|2.231478|1.462681|1.386768|1.465728|1.654941|2.049850|4.242968|5.767233|8.825892|17.583944|5.968032|4.708092|3.802493|0.075116|3.282875|0.048923|0.047348|0.048756|0.055148|0.086546|0.106308|0.141207|0.109146|0.079021|0.060338|0.047383|0.039323|0.040057|0.035821|0.038404|0.039684|0.039839|0.047597|0.048242|0.058633|0.098290|0.148335|0.303029|0.500000| |1.584442|1.802930|3.467167|2.494958|2.052289|2.398372|2.570371|3.109483|3.240761|3.877113|4.707688|5.563000|4.190595|3.981676|3.038510|4.785913|3.807221|2.326310|2.182244|1.886268|2.375455|1.813936|2.243944|1.473584|1.382374|1.457173|1.644620|2.076311|4.794018|7.334571|8.872388|17.585975|4.342454|3.496448|3.048392|0.060683|2.704777|0.043337|0.041770|0.042716|0.047121|0.069666|0.079453|0.103530|0.096186|0.083947|0.064351|0.049613|0.039996|0.040318|0.035814|0.037965|0.039774|0.039254|0.046646|0.048181|0.058504|0.114606|0.226661|0.302318|0.301426|0.500000| |2.018547|2.397091|4.667482|3.384350|2.930568|3.676397|4.131501|5.640299|4.967153|5.661213|8.908480|6.998303|5.170415|4.024268|3.218481|5.636704|3.648071|2.269400|2.010610|1.776437|2.340256|1.865365|2.387036|1.546438|1.495344|1.628843|1.838292|2.161900|3.826175|4.421033|6.031440|5.977229|17.720126|8.958599|4.520267|0.088493|3.821300|0.054342|0.053958|0.052803|0.062433|0.106551|0.107766|0.124260|0.133524|0.073631|0.056049|0.045646|0.041516|0.041499|0.038549|0.041173|0.044363|0.044857|0.053019|0.054828|0.064431|0.088883|0.106556|0.201878|0.156326|0.126178|0.500000| 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