Version2.1 2021-01-09T00:35:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN(C[C@H]1COc2ccccc2O1)C(=O)NC3CC[NH+](CC3)CC(=O)Nc4ccccc4 C59292286 RHF 6-31G(d) (6D,7F) CCN(C[C@H]1COc2ccccc2O1)C(=O)NC3CC[NH+](CC3)CC(=O)Nc4ccccc4 C01[X(C25H33N4O4)] 192 C1 561 CCN(C(=O)NC1CC[NH+](CC1)CC(=O)Nc1ccccc1)C[C@H]1COc2c(O1)cccc2 CCN(C(=O)NC1CC[NH+](CC1)CC(=O)Nc1ccccc1)C[C@H]1COc2c(O1)cccc2 CCN(C[C@H]1COc2ccccc2O1)C(=O)NC3CC[NH+](CC3)CC(=O)Nc4ccccc4 InChIKey=LUCXMQBADJLFJN-NRFANRHFSA-O InChI=1S/C25H32N4O4/c1-2-29(16-21-18-32-22-10-6-7-11-23(22)33-21)25(31)27-20-12-14-28(15-13-20)17-24(30)26-19-8-4-3-5-9-19/h3-11,20-21H,2,12-18H2,1H3,(H,26,30)(H,27,31)/p+1/t21-/m0/s1 InChI=1/C25H32N4O4/c1-2-29(16-21-18-32-22-10-6-7-11-23(22)33-21)25(31)27-20-12-14-28(15-13-20)17-24(30)26-19-8-4-3-5-9-19/h3-11,20-21H,2,12-18H2,1H3,(H,26,30)(H,27,31)/p+1/t21-/m0/s1/fC25H33N4O4/h26-28H/q+1 CCN(C[C@H]1COc2ccccc2O1)C(=O)NC3CC[NH+](CC3)CC(=O)Nc4ccccc4 C01[X(C25H33N4O4)] 192 C01 561 CCN(C(=O)NC1CC[NH+](CC1)CC(=O)Nc1ccccc1)C[C@H]1COc2c(O1)cccc2 CCN(C(=O)NC1CC[NH](CC1)C[C]([NH][C]1[CH][CH][CH][CH][CH]1)=O)C[C@H]1CO[C]2[C]([CH][CH][CH][CH]2)O1 CCN(C[C@H]1CO[C]2[CH][CH][CH][CH][C]2O1)C(=O)NC3CC[NH](CC3)CC(=O)N[C]4[CH][CH][CH][CH][CH]4 InChIKey=GAPHAAYHVCTWSI-NRFANRHFSA-N InChI=1S/C25H33N4O4/c1-2-29(16-21-18-32-22-10-6-7-11-23(22)33-21)25(31)27-20-12-14-28(15-13-20)17-24(30)26-19-8-4-3-5-9-19/h3-11,20-21,28H,2,12-18H2,1H3,(H,26,30)(H,27,31)/t21-/m0/s1 InChI=1/C25H33N4O4/c1-2-29(16-21-18-32-22-10-6-7-11-23(22)33-21)25(31)27-20-12-14-28(15-13-20)17-24(30)26-19-8-4-3-5-9-19/h3-11,20-21,28H,2,12-18H2,1H3,(H,26,30)(H,27,31)/t21-/m0/s1/f/h26-27H 3182.6038265673 -1483.0146144 1-A 33516.3665 121 440 561 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1305.87 1327.26 1356.65 1388.91 1394.40 1428.26 1446.01 1477.61 1482.23 1497.11 1502.97 1514.26 1523.82 1532.17 1570.62 1583.73 1585.72 1587.18 1587.40 1625.14 1627.92 1635.50 1646.85 1663.33 1680.95 1712.66 1714.95 1719.80 1729.83 1737.40 1744.38 1752.31 1757.54 1777.58 1799.91 1806.95 1825.93 1833.08 1876.26 1881.45 1886.76 1906.78 1918.39 1923.11 1936.82 1953.66 1986.04 2010.12 2016.10 2028.48 2042.04 2051.75 2052.93 2080.62 2094.58 2099.72 2106.14 2122.74 2143.53 2150.51 2189.87 2203.38 2217.38 2220.70 2233.51 2244.82 2254.24 2261.86 2280.34 2289.80 2293.76 2322.09 2336.86 2341.03 2343.92 2348.78 2350.17 2350.61 2359.84 2364.43 2365.90 2380.86 2384.22 2404.84 2417.51 2420.13 2453.90 2503.12 2588.77 2597.09 2600.93 2609.94 2725.63 2791.40 4603.65 4606.37 4616.41 4621.20 4679.17 4687.64 4690.62 4694.91 4696.08 4700.94 4709.21 4718.28 4727.79 4735.25 4758.06 4762.07 4779.37 4784.02 4792.61 4796.54 4807.61 4827.80 4847.12 4860.04 4864.90 4876.02 4879.87 4891.96 4894.90 4940.01 5187.52 5542.74 5584.14 0.609807 0.638376 0.639321 0.544287 -1482.404807 -1482.376238 -1482.375294 -1482.470328 3.187456D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE CCN(C[C@H]1COc2ccccc2O1)C(=O)NC3CC[NH+](CC3)CC(=O)Nc4ccccc4 C59292286 RHF 6-31G(d) (6D,10F) C1 453.250181 |X|Y|Z| 175.046705 36.458354 39.314740 63.071835 29 6 7 8 23 4 2 |36.858105| |12.469295|36.858105| |7.624822|13.035733|53.358707| |5.640726|7.600152|17.791789|36.858105| |4.166857|5.646526|10.413774|12.528109|36.858105| |3.747243|5.044766|9.549250|8.879920|17.574364|0.500000| |3.329123|4.045441|6.764137|7.539134|12.538606|0.248151|36.858105| |2.784384|3.359160|5.312700|5.081070|7.964884|0.202006|13.586727|73.516695| |2.790946|3.433449|5.135354|4.578272|7.029021|0.179228|8.180415|24.934403|36.858105| |2.349659|2.797319|4.057905|3.435514|4.662260|0.125573|5.303681|14.340788|13.757242|36.858105| |2.250989|2.667421|3.722905|3.012675|3.873561|0.104881|4.043016|9.335914|7.947336|13.781625|36.858105| |2.493843|3.010902|4.056047|3.183440|4.029318|0.107680|3.883983|8.202863|6.875760|7.939571|13.727349|36.858105| |3.040914|3.852150|5.130576|4.025367|5.281325|0.136177|4.675987|9.279159|7.936742|6.878367|7.943276|13.779861|36.858105| |3.298913|4.279949|6.140026|5.255445|8.124294|0.194976|7.058384|14.156023|13.736932|7.941847|6.882354|7.949040|13.762486|36.858105| |4.254898|6.019302|8.963361|8.045038|13.497948|0.259075|7.988226|12.113037|7.955569|5.215983|4.611524|5.245056|8.053058|13.974699|73.516695| |5.647645|7.653406|19.197617|7.957538|6.001340|0.180620|4.232826|6.229711|3.340670|2.721437|2.501732|2.680227|3.265675|3.810301|8.918625|36.858105| |4.262648|5.292500|11.514495|7.092274|5.932834|0.195386|4.428247|6.551769|3.369303|2.753431|2.477454|2.579637|3.065434|3.645763|8.128062|15.742879|73.516695| |5.488191|6.771459|11.119015|5.209622|4.316187|0.128538|3.274408|5.070527|2.804257|2.371688|2.243491|2.432307|2.906625|3.205676|7.088995|13.785505|15.092364|53.358707| |3.958623|4.477622|7.113767|3.956426|3.489196|0.106903|2.807723|4.478145|2.455278|2.130006|2.018594|2.151651|2.489356|2.710056|5.680812|7.863298|12.663636|17.990896|36.858105| |3.480761|3.820855|5.461616|3.145957|2.876978|0.086655|2.371476|3.884660|2.180424|1.935572|1.874758|2.017743|2.300802|2.417732|4.918823|5.146576|8.211075|10.646293|12.462091|36.858105| |2.750128|2.944922|4.256143|2.607326|2.438319|0.073722|2.081547|3.463980|1.930633|1.743826|1.689120|1.791105|1.996151|2.089562|4.136450|3.875430|6.697711|6.845469|7.553545|12.498267|36.858105| |2.634943|2.720925|3.986341|2.493510|2.285387|0.068249|1.988320|3.275767|1.797512|1.623413|1.558995|1.635883|1.814987|1.920037|3.808941|3.601845|6.386721|6.068668|6.490306|7.640225|12.686923|53.358707| |2.734147|2.744386|3.929809|2.441875|2.205710|0.064827|1.921720|3.147794|1.732166|1.564111|1.507092|1.588183|1.765415|1.859995|3.705925|3.467669|5.966394|5.914193|5.879797|7.069895|9.205894|25.554660|0.500000| |2.813872|2.918130|4.487693|2.830894|2.548467|0.076618|2.217465|3.597886|1.936921|1.728839|1.635097|1.700859|1.898263|2.050797|4.117160|4.219652|7.878287|6.792505|7.557071|6.508079|7.647249|17.186411|0.259827|36.858105| |3.613159|3.759022|5.970808|3.560177|3.057999|0.091280|2.575463|4.070708|2.186163|1.912364|1.799077|1.888383|2.150923|2.354401|4.878481|6.035317|10.725247|10.424288|12.425679|7.606514|6.516621|10.415708|0.199230|12.525146|36.858105| |2.187907|2.247007|3.266687|2.112263|1.972713|0.058757|1.755577|2.931263|1.608037|1.472311|1.417999|1.476067|1.613393|1.695667|3.302136|2.849750|5.155341|4.528291|4.384160|4.968805|7.635308|17.465668|0.265750|7.673076|4.988620|36.858105| |2.080097|2.077429|2.986681|1.952605|1.802699|0.052848|1.624066|2.698097|1.475328|1.353856|1.303773|1.354455|1.476408|1.551037|3.020649|2.540508|4.556486|3.962107|3.612181|3.929334|5.102407|10.650569|0.227209|6.031983|4.322968|12.416078|36.858105| |2.248647|2.199604|3.128973|2.026091|1.840948|0.053424|1.651789|2.719980|1.488223|1.359353|1.309627|1.366610|1.497996|1.574400|3.091872|2.642254|4.646726|4.172176|3.728424|4.044378|4.872010|10.026850|0.262510|5.910008|4.601169|8.112062|15.836247|73.516695| |1.822261|1.821937|2.617861|1.744406|1.628420|0.047668|1.487682|2.490486|1.359937|1.257973|1.212127|1.251581|1.352150|1.417284|2.731365|2.192115|3.974118|3.325131|2.936642|3.126688|3.916455|7.124008|0.144807|4.507308|3.411438|7.868530|14.302881|14.910176|53.358707| |1.683161|1.661233|2.368856|1.595551|1.486753|0.043119|1.371965|2.296597|1.252945|1.163302|1.121850|1.155852|1.243853|1.301561|2.500303|1.947406|3.515762|2.910099|2.483737|2.602981|3.080991|5.296550|0.111918|3.547650|2.873065|5.002287|7.699290|11.562193|18.123153|36.858105| |1.535252|1.521546|2.180894|1.489710|1.398395|0.040567|1.304079|2.193008|1.192192|1.112001|1.070243|1.095936|1.172646|1.228669|2.345041|1.781631|3.251440|2.612345|2.202097|2.262312|2.633157|4.364812|0.089545|3.059616|2.520736|3.994483|5.261236|8.068686|10.780934|13.741153|36.858105| |1.423247|1.400402|1.994288|1.372038|1.288323|0.037130|1.209825|2.036535|1.107720|1.036721|0.999219|1.021886|1.089821|1.139369|2.167841|1.607968|2.921417|2.338145|1.930839|1.974555|2.237129|3.605235|0.074979|2.557580|2.188477|3.132135|3.949957|6.512739|7.042264|7.950440|13.770776|36.858105| |1.426261|1.389291|1.959475|1.343909|1.255613|0.035971|1.177521|1.977128|1.078694|1.009128|0.975298|1.000830|1.068690|1.113994|2.123548|1.567633|2.817429|2.289449|1.869786|1.925219|2.148862|3.439217|0.073287|2.414994|2.113649|2.904613|3.705228|6.465813|6.179086|6.885092|7.941177|13.751954|36.858105| |1.543150|1.493922|2.093630|1.420883|1.319151|0.037737|1.227450|2.053137|1.123644|1.047508|1.014336|1.046302|1.122271|1.168041|2.237929|1.678163|2.986460|2.483709|2.034824|2.124030|2.374562|3.847709|0.084212|2.637504|2.310944|3.235008|4.327407|7.906841|6.976982|7.979016|6.892707|7.955905|13.757880|36.858105| |1.688875|1.643587|2.312084|1.552214|1.437554|0.041347|1.325661|2.212926|1.211778|1.125071|1.088713|1.126125|1.213251|1.264603|2.433973|1.877866|3.339938|2.819706|2.359576|2.495995|2.866171|4.815544|0.106693|3.196109|2.711375|4.213001|6.263491|11.330789|10.522484|13.751570|7.910982|6.853270|7.907918|13.748655|36.858105| |17.556224|8.823087|7.568925|4.450363|3.575320|0.089986|2.944322|4.509869|2.596815|2.230052|2.178042|2.442390|2.949296|3.082478|6.797604|4.419290|6.207701|6.124543|3.430745|3.183960|2.552943|3.303661|0.070438|2.522846|3.126207|2.044456|1.954835|3.759363|2.344404|1.600547|1.459583|1.360176|1.370460|1.485660|1.618146|0.500000| |17.568136|8.793118|9.376137|5.962225|4.225385|0.102259|3.510938|5.093248|2.814415|2.359521|2.230803|2.433502|2.940753|3.256371|7.435964|5.042611|7.191437|6.221238|3.476993|3.015915|2.466987|3.283380|0.069233|2.619414|3.309299|2.035772|1.956065|3.749556|2.356794|1.613308|1.483580|1.383007|1.385552|1.490063|1.617830|0.301536|0.500000| |17.529030|8.725024|9.255992|4.927031|3.692621|0.095955|2.999247|4.511284|2.511356|2.141274|2.048277|2.241441|2.676599|2.895538|6.450869|5.837580|7.816568|8.441176|4.495178|3.926149|3.055832|4.055641|0.087485|3.193534|4.235763|2.426295|2.323193|4.539078|2.731609|1.848139|1.669291|1.541233|1.548905|1.689320|1.862247|0.301258|0.302498|0.500000| |8.858253|17.662014|12.616041|7.478134|6.171000|0.143405|4.429302|6.561961|3.901764|3.129757|3.004643|3.470998|4.629087|5.131898|13.468354|5.832949|7.985328|6.877312|3.663948|3.221782|2.575547|3.238107|0.066271|2.531804|3.133858|2.010430|1.864642|3.480765|2.255169|1.520514|1.403744|1.299059|1.288317|1.377438|1.504058|0.213258|0.211271|0.172592|0.500000| |8.793825|17.597458|12.434898|5.723818|4.836242|0.128563|3.536181|5.474885|3.220756|2.686208|2.617037|2.998551|3.805729|4.030745|9.474443|7.192352|8.884438|10.308338|4.905692|4.399718|3.260280|3.956313|0.081341|3.027403|3.866669|2.376481|2.166585|4.067027|2.568981|1.707005|1.553754|1.423751|1.412425|1.525339|1.688648|0.212056|0.172609|0.207612|0.306988|0.500000| |4.809202|5.714936|12.494652|17.639383|8.924240|0.211506|6.997311|8.427732|4.034613|3.128158|2.714304|2.788419|3.372708|4.291521|10.262822|7.501732|13.923026|6.695221|3.955933|3.069631|2.602292|3.472013|0.069077|2.981548|3.751611|2.168835|2.015632|3.712053|2.457050|1.653092|1.550095|1.426152|1.391414|1.465358|1.599942|0.106601|0.144806|0.124923|0.148874|0.127897|0.500000| |6.143117|7.450225|12.564932|17.594754|8.909040|0.174423|6.843153|8.341056|4.333613|3.314540|2.943982|3.131302|3.943101|5.003482|13.102876|5.863842|9.164122|5.934453|3.383325|2.801595|2.346042|3.078859|0.062374|2.526523|3.123264|1.937295|1.817441|3.376052|2.221631|1.508277|1.410124|1.308576|1.289513|1.363982|1.479649|0.135935|0.199458|0.139812|0.225360|0.148764|0.302024|0.500000| |3.101907|3.637525|6.256201|6.786774|8.817166|0.213567|17.630306|16.939207|5.937839|4.372300|3.412546|3.233895|3.733950|5.122805|10.168190|4.145482|8.157905|4.345887|2.808494|2.340153|2.082390|2.747681|0.053978|2.288897|2.642768|1.789973|1.660448|2.993947|2.076824|1.408304|1.344551|1.246561|1.208692|1.255099|1.354561|0.075632|0.091569|0.079756|0.105672|0.088981|0.206275|0.166072|0.500000| |3.393558|3.976178|6.261448|6.885989|8.858836|0.174283|17.526542|16.556489|6.998443|4.897226|3.870727|3.764225|4.499361|6.408081|12.806662|3.779564|6.758621|4.094542|2.566431|2.201244|1.933025|2.529899|0.050419|2.056487|2.386725|1.646793|1.540155|2.802942|1.924045|1.313163|1.248253|1.164491|1.139056|1.188332|1.277242|0.084302|0.102458|0.083352|0.124652|0.094619|0.173799|0.204859|0.299705|0.500000| |2.132179|2.485102|3.644664|3.096811|4.056693|0.111007|4.855569|13.216038|8.994250|17.734308|8.864616|5.631078|4.956470|5.666898|7.510609|2.487730|4.555393|2.960485|1.985002|1.802657|1.645025|2.102469|0.041270|1.650989|1.808065|1.412232|1.302790|2.318178|1.657075|1.129039|1.084786|1.013258|0.984153|1.017337|1.089481|0.056111|0.059924|0.054586|0.075770|0.066148|0.080790|0.083006|0.117947|0.124845|0.500000| |2.001131|2.322939|3.227485|2.579887|3.194652|0.087477|3.362310|7.543985|5.655110|8.943656|17.729011|8.898207|5.647072|4.957772|6.505985|2.200994|3.895259|2.725444|1.828198|1.715113|1.563601|1.970305|0.038883|1.510539|1.643526|1.328347|1.224761|2.181473|1.558332|1.062879|1.017396|0.952332|0.929320|0.964023|1.031540|0.054143|0.055144|0.051057|0.071616|0.063690|0.065716|0.070324|0.081661|0.090346|0.213663|0.500000| |2.327522|2.757990|3.633218|2.776144|3.352385|0.090400|3.201639|6.508798|4.954264|5.645336|8.896429|17.727827|8.939587|5.655040|7.535635|2.426945|4.124847|3.069762|2.012932|1.922125|1.715115|2.125845|0.042248|1.605957|1.769478|1.416489|1.302235|2.335697|1.641374|1.115856|1.057613|0.988053|0.969660|1.014376|1.090064|0.064348|0.062646|0.058434|0.087408|0.077564|0.068181|0.076406|0.076149|0.087254|0.123728|0.214118|0.500000| |3.325092|4.274891|5.350474|3.969124|4.834916|0.124685|4.063741|7.511308|5.662462|4.955869|5.633426|8.869392|17.727334|8.986551|13.185870|3.364094|5.432904|4.182665|2.591031|2.431189|2.079703|2.552436|0.050976|1.940541|2.213023|1.656640|1.516167|2.748154|1.880660|1.269975|1.190910|1.106391|1.088804|1.148742|1.244197|0.091456|0.087246|0.080314|0.146298|0.120778|0.091123|0.109247|0.092594|0.110447|0.107606|0.123775|0.213751|0.500000| |6.693839|7.581790|10.234497|4.804584|3.907566|0.111181|3.025542|4.689259|2.625823|2.240104|2.145018|2.349302|2.806996|3.032781|6.689889|9.281210|10.937816|26.076039|9.100760|7.204234|4.649033|5.702312|0.119129|4.459438|6.548494|3.159330|2.841525|5.445632|3.238810|2.106854|1.878893|1.693824|1.676601|1.833706|2.075479|0.152027|0.143779|0.227551|0.149044|0.247703|0.123328|0.118489|0.081077|0.079312|0.056953|0.053369|0.061127|0.083976|0.500000| |3.479232|4.071566|6.733368|3.953004|3.661077|0.117286|2.950347|4.774248|2.600521|2.255925|2.121103|2.238519|2.575050|2.830606|5.845725|7.496910|14.207677|12.760706|17.618977|8.910014|6.888047|7.853735|0.136755|6.922511|8.934230|4.208743|3.377626|5.958592|3.844721|2.380223|2.147023|1.878125|1.797426|1.929378|2.223688|0.084491|0.087057|0.104926|0.096185|0.122106|0.110990|0.091830|0.082643|0.073295|0.058591|0.053315|0.057795|0.073295|0.181695|0.500000| |3.398586|3.882556|5.406512|3.121547|2.946249|0.089437|2.405111|3.998166|2.284913|2.036265|1.994085|2.170686|2.481150|2.565752|5.170857|4.916060|7.753682|9.654876|8.823122|17.583779|8.958165|7.592806|0.143715|4.888198|5.520095|4.129855|3.313938|5.956962|3.732255|2.318334|2.045661|1.803176|1.758763|1.924507|2.228804|0.087929|0.081156|0.102573|0.092674|0.129285|0.082608|0.077229|0.064981|0.061798|0.052268|0.050585|0.057717|0.073559|0.182282|0.215349|0.500000| |3.714887|3.876157|5.263909|3.014820|2.700866|0.079187|2.243693|3.652516|2.057313|1.830797|1.783018|1.929053|2.200385|2.293418|4.682185|4.687893|7.217838|9.626266|8.796513|17.501806|8.878563|9.320494|0.206184|5.676415|6.802697|4.613709|3.918414|7.558590|4.204877|2.621114|2.249462|1.981565|1.962352|2.196180|2.580457|0.095931|0.087946|0.120252|0.089854|0.124531|0.081217|0.076400|0.061237|0.058783|0.047330|0.045406|0.051348|0.065215|0.212375|0.173792|0.303017|0.500000| |2.547783|2.786950|4.114633|2.575636|2.466331|0.075930|2.116702|3.562866|1.981009|1.796647|1.734919|1.826171|2.021723|2.122823|4.153835|3.767042|6.787186|6.287874|6.783105|8.782670|17.603082|12.410665|0.180598|6.977633|5.734663|7.005624|4.565594|7.376783|5.053278|2.918688|2.562757|2.171677|2.054224|2.226556|2.654194|0.065531|0.064256|0.076970|0.068772|0.084978|0.071759|0.063761|0.059081|0.054037|0.047250|0.044685|0.048447|0.057934|0.114093|0.202260|0.214580|0.173245|0.500000| |2.532971|2.676902|3.753362|2.326601|2.194771|0.065626|1.893071|3.178207|1.787836|1.632003|1.596842|1.699055|1.877819|1.936846|3.789359|3.277856|5.592289|5.646469|5.493656|8.794117|17.624928|12.382382|0.222056|5.596632|4.897643|7.160395|5.010432|8.480310|5.329315|3.097947|2.620564|2.236065|2.166312|2.415577|2.925384|0.066699|0.063100|0.077614|0.065924|0.082824|0.063945|0.059067|0.052296|0.049244|0.042780|0.041302|0.045617|0.054641|0.111436|0.140357|0.212069|0.215916|0.301045|0.500000| |2.602783|2.769189|4.334527|2.798105|2.586383|0.079301|2.265042|3.715759|1.990634|1.782304|1.677975|1.732101|1.921985|2.084963|4.141074|4.096491|8.067211|6.267136|6.820963|5.760649|7.004527|12.394673|0.182134|17.600643|8.794763|7.023611|5.192996|8.421693|5.718398|3.304800|2.950277|2.460891|2.282642|2.438358|2.908612|0.064952|0.067840|0.079944|0.067795|0.079675|0.082308|0.068593|0.065399|0.057652|0.047489|0.043117|0.045293|0.054080|0.110665|0.204674|0.129276|0.132377|0.210780|0.143627|0.500000| |2.614433|2.640247|4.021500|2.602458|2.330799|0.069064|2.069796|3.353750|1.795111|1.610684|1.521325|1.573743|1.744700|1.884408|3.761446|3.632059|6.793934|5.589047|5.489826|4.890063|5.604942|12.372346|0.227001|17.646341|8.789295|7.245017|6.846500|12.211541|6.964659|4.065528|3.480343|2.875594|2.700469|2.951855|3.612260|0.065469|0.068788|0.082540|0.064281|0.074781|0.077034|0.065549|0.059789|0.053822|0.042988|0.039213|0.041346|0.049380|0.105697|0.140903|0.107733|0.127613|0.143537|0.126724|0.300075|0.500000| |3.885800|3.806233|5.743391|3.397726|2.857683|0.082869|2.424866|3.814750|2.061930|1.809588|1.713507|1.808515|2.060535|2.235434|4.643839|5.374990|8.875241|9.449453|8.788483|6.811780|5.698033|9.348585|0.210102|8.869651|17.509001|4.635367|4.340135|8.835217|4.606545|2.918804|2.522358|2.214339|2.178081|2.420376|2.838949|0.093740|0.098155|0.132856|0.087208|0.108173|0.098294|0.085360|0.068578|0.063604|0.047455|0.043569|0.047333|0.059407|0.189818|0.174095|0.139352|0.199368|0.132222|0.128181|0.173143|0.214871|0.500000| |3.626048|3.785348|6.370469|3.943032|3.316328|0.099081|2.816907|4.376046|2.300885|1.994233|1.849559|1.921608|2.191574|2.446204|5.104856|6.528939|12.857734|9.431683|8.855352|5.534427|4.894829|7.595378|0.145422|8.967887|17.611616|4.143234|3.724429|6.942636|4.192448|2.659881|2.393461|2.100215|2.018525|2.172795|2.500260|0.085446|0.095318|0.115902|0.088423|0.103691|0.120984|0.094541|0.081985|0.072035|0.052645|0.046803|0.049577|0.061858|0.160638|0.217342|0.123776|0.139493|0.128791|0.107874|0.214429|0.211504|0.302189|0.500000| |2.080350|2.161605|3.195176|2.098859|1.981519|0.059545|1.776906|2.981682|1.625405|1.491344|1.429057|1.476247|1.606412|1.697394|3.285987|2.800192|5.211841|4.315052|4.161951|4.422413|6.428507|12.315478|0.185158|7.415859|4.713745|17.629467|8.662504|10.697662|9.712542|4.680557|4.005133|3.109731|2.797398|3.004563|3.783969|0.053731|0.054259|0.063342|0.054131|0.062985|0.060375|0.053144|0.050696|0.046010|0.039933|0.037242|0.039227|0.045449|0.081847|0.117096|0.105356|0.110052|0.189238|0.159610|0.222728|0.196400|0.116230|0.114153|0.500000| |2.078273|2.144238|3.066191|1.982625|1.873090|0.055737|1.667191|2.808308|1.555282|1.433634|1.391806|1.454056|1.581958|1.645042|3.178286|2.634916|4.704914|4.202350|3.952053|4.768025|7.516173|12.340125|0.211331|5.634646|4.163480|17.603855|8.877024|11.546732|9.205233|4.568052|3.689873|2.952024|2.766633|3.087974|3.967959|0.054603|0.053435|0.063445|0.053692|0.063702|0.055880|0.050757|0.046861|0.043525|0.038136|0.036332|0.038993|0.045296|0.082359|0.106121|0.115253|0.124085|0.193376|0.232903|0.149275|0.144103|0.109350|0.097197|0.301043|0.500000| |1.738153|1.758156|2.538822|1.702308|1.606426|0.047306|1.472177|2.480974|1.354829|1.257960|1.212081|1.247494|1.342100|1.405815|2.692828|2.129548|3.899869|3.202197|2.835343|3.010809|3.829277|6.648885|0.127606|4.265571|3.214792|7.629074|9.530347|10.849958|26.019667|9.235900|7.433064|4.857345|4.070689|4.312733|5.813093|0.045632|0.045927|0.052690|0.044655|0.050662|0.048929|0.044085|0.041993|0.038702|0.033896|0.031868|0.033394|0.037968|0.062976|0.077534|0.074530|0.080778|0.105030|0.106292|0.116527|0.129795|0.086241|0.081520|0.220154|0.191479|0.500000| |1.512677|1.513131|2.186025|1.500392|1.417394|0.041339|1.325116|2.236100|1.212563|1.132469|1.087489|1.109625|1.184861|1.244197|2.367579|1.794407|3.309868|2.612587|2.215658|2.256136|2.647409|4.354487|0.086699|3.105405|2.524174|4.040918|4.953059|7.313088|9.949089|8.897683|17.697599|8.921057|5.646357|4.960706|5.631549|0.039811|0.040653|0.045467|0.038861|0.042897|0.043493|0.039268|0.038073|0.035084|0.030761|0.028738|0.029699|0.033304|0.051676|0.060902|0.056915|0.061329|0.073110|0.072454|0.085565|0.097449|0.068780|0.067133|0.118615|0.103068|0.222234|0.500000| |1.335993|1.318598|1.881899|1.304873|1.231419|0.035488|1.163688|1.965423|1.067352|1.002178|0.965138|0.983441|1.044938|1.092761|2.070319|1.511263|2.759264|2.176707|1.785459|1.811363|2.036218|3.226227|0.066329|2.322596|2.007345|2.765029|3.327463|5.482722|5.719347|5.656669|8.945443|17.731808|8.905492|5.650730|4.942897|0.035475|0.036209|0.039946|0.034142|0.037131|0.037734|0.034604|0.033374|0.031121|0.027294|0.025610|0.026414|0.029378|0.043660|0.048645|0.046310|0.050191|0.055524|0.056311|0.062990|0.071881|0.055993|0.054087|0.077764|0.072753|0.114748|0.215869|0.500000| |1.340328|1.302082|1.830422|1.262462|1.181628|0.033734|1.113686|1.872820|1.022180|0.958857|0.927571|0.950606|1.012294|1.053641|2.002735|1.452735|2.607666|2.107687|1.701361|1.744587|1.920673|3.019937|0.064262|2.139176|1.906817|2.496954|3.072592|5.432245|4.919792|4.959597|5.648005|8.912605|17.734227|8.914068|5.634830|0.035896|0.036311|0.040252|0.033692|0.036667|0.036278|0.033798|0.031742|0.030021|0.026016|0.024600|0.025616|0.028627|0.042981|0.045513|0.044602|0.049470|0.051164|0.053788|0.056438|0.065799|0.054649|0.050956|0.067163|0.066569|0.092279|0.124168|0.214451|0.500000| |1.526141|1.465812|2.036624|1.381710|1.280011|0.036434|1.191623|1.991598|1.092752|1.019426|0.989496|1.022833|1.097042|1.138562|2.181704|1.618423|2.857579|2.396152|1.937465|2.028514|2.228238|3.547690|0.078595|2.430137|2.181870|2.891815|3.742717|7.105445|5.653685|5.671592|4.963211|5.653655|8.920267|17.729871|8.955771|0.041055|0.040958|0.046410|0.037602|0.041551|0.039438|0.037052|0.033744|0.032182|0.027471|0.026134|0.027598|0.031267|0.049570|0.050724|0.051301|0.058921|0.057656|0.063300|0.062092|0.074631|0.064209|0.056998|0.074014|0.077545|0.098871|0.107672|0.124160|0.214890|0.500000| 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