Version2.0 2020-07-28T16:48:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN1CCCc2c1ccc(c2)[C@H](CNC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)[NH+]5CCCCC5 C38671079 RHF 6-31G(d) (6D,7F) CN1CCCc2c1ccc(c2)[C@H](CNC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)[NH+]5CCCCC5 C01[X(C28H39N4O3S1)] 219 C1 622 O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)NC[C@H]([NH+]1CCCCC1)c1ccc2c(c1)CCCN2C O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)NC[C@H]([NH+]1CCCCC1)c1ccc2c(c1)CCCN2C CN1CCCc2cc(ccc12)[C@H](CNC(=O)c3ccc(cc3)[S](=O)(=O)N4CCCC4)[NH+]5CCCCC5 InChIKey=DWFHGEUSPNSZKN-MHZLTWQESA-O InChI=1S/C28H38N4O3S/c1-30-15-7-8-23-20-24(11-14-26(23)30)27(31-16-3-2-4-17-31)21-29-28(33)22-9-12-25(13-10-22)36(34,35)32-18-5-6-19-32/h9-14,20,27H,2-8,15-19,21H2,1H3,(H,29,33)/p+1/t27-/m0/s1 InChI=1/C28H38N4O3S/c1-30-15-7-8-23-20-24(11-14-26(23)30)27(31-16-3-2-4-17-31)21-29-28(33)22-9-12-25(13-10-22)36(34,35)32-18-5-6-19-32/h9-14,20,27H,2-8,15-19,21H2,1H3,(H,29,33)/p+1/t27-/m0/s1/fC28H39N4O3S/h29,31H/q+1 CN1CCCc2c1ccc(c2)[C@H](CNC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)[NH+]5CCCCC5 C01[X(C28H39N4O3S1)] 219 C01 622 O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)NC[C@H]([NH+]1CCCCC1)c1ccc2c(c1)CCCN2C O=C([C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N1CCCC1)NC[C@@H]([C]1[CH][CH][C]2[C]([CH]1)CCCN2C)[NH]1CCCCC1 CN1CCC[C]2[CH][C]([CH][CH][C]12)[C@H](CNC(=O)[C]3[CH][CH][C]([CH][CH]3)[S](=O)(=O)N4CCCC4)[NH]5CCCCC5 InChIKey=DEQNNEBPEAAJEI-MHZLTWQESA-N InChI=1S/C28H39N4O3S/c1-30-15-7-8-23-20-24(11-14-26(23)30)27(31-16-3-2-4-17-31)21-29-28(33)22-9-12-25(13-10-22)36(34,35)32-18-5-6-19-32/h9-14,20,27,31H,2-8,15-19,21H2,1H3,(H,29,33)/t27-/m0/s1 InChI=1/C28H39N4O3S/c1-30-15-7-8-23-20-24(11-14-26(23)30)27(31-16-3-2-4-17-31)21-29-28(33)22-9-12-25(13-10-22)36(34,35)32-18-5-6-19-32/h9-14,20,27,31H,2-8,15-19,21H2,1H3,(H,29,33)/t27-/m0/s1/f/h29H 4093.7254605496 -1922.6805919 1-A 28582.0536 137 485 622 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.26403 -20.63269 -20.60559 -20.60512 -15.82709 -15.69675 -15.66563 -15.64912 -11.45689 -11.42407 -11.42257 -11.41775 -11.39700 -11.38385 -11.36518 -11.36301 -11.35214 -11.35138 -11.34588 -11.34529 -11.34373 -11.34291 -11.34240 -11.33888 -11.33767 -11.33383 -11.33181 -11.33039 -11.32898 -11.32880 -11.32606 -11.32573 -11.31633 -11.30609 -11.28886 -11.28732 -9.23448 -6.92118 -6.92070 -6.91957 -1.53319 -1.50256 -1.46661 -1.40777 -1.36130 -1.35119 -1.32132 -1.26546 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0.80512 0.81044 0.81342 0.81634 0.82978 0.83695 0.84076 0.84400 0.84715 0.85067 0.85923 0.86551 0.87055 0.87397 0.88112 0.88417 0.89508 0.90158 0.90411 0.90756 0.91467 0.92031 0.92348 0.93139 0.93466 0.94444 0.95117 0.95402 0.96272 0.96504 0.96862 0.97392 0.97766 0.98359 0.98493 0.98898 0.99204 0.99376 1.00700 1.01105 1.01483 1.01792 1.02185 1.02739 1.03172 1.03710 1.03919 1.04427 1.04722 1.05223 1.05675 1.06121 1.06127 1.06535 1.06734 1.06884 1.06962 1.07706 1.07779 1.08176 1.08594 1.08653 1.09104 1.09448 1.09732 1.10102 1.10382 1.10463 1.11039 1.11343 1.12351 1.12691 1.12906 1.13161 1.13403 1.13610 1.14339 1.14690 1.15106 1.15956 1.16393 1.17030 1.17187 1.17792 1.19126 1.19261 1.19785 1.20790 1.20905 1.21554 1.22400 1.23881 1.26674 1.27243 1.28359 1.28734 1.29326 1.29819 1.30763 1.31457 1.32421 1.34208 1.34333 1.34676 1.35364 1.36237 1.37670 1.38042 1.38760 1.39511 1.40175 1.40679 1.41111 1.42132 1.42750 1.44041 1.46221 1.46960 1.47233 1.48325 1.49008 1.49738 1.50539 1.51352 1.52572 1.52972 1.54424 1.55378 1.56245 1.57008 1.58183 1.58513 1.61410 1.62231 1.62967 1.63265 1.64447 1.65027 1.66121 1.66817 1.67002 1.67852 1.68911 1.69537 1.71044 1.72766 1.72970 1.73334 1.75556 1.76817 1.77359 1.78390 1.80603 1.81189 1.82712 1.83325 1.84724 1.85576 1.87836 1.88786 1.89795 1.91344 1.92263 1.93739 1.94147 1.94911 1.96243 1.96939 1.97399 1.97959 1.98628 2.00043 2.00670 2.00963 2.02736 2.03264 2.03586 2.04056 2.04243 2.04901 2.05516 2.05793 2.07106 2.07259 2.08016 2.08921 2.09323 2.09632 2.10545 2.10626 2.11837 2.12838 2.12982 2.13528 2.14391 2.15007 2.15328 2.16925 2.17544 2.18688 2.19044 2.20007 2.20376 2.20881 2.21767 2.22395 2.22721 2.23317 2.24120 2.24353 2.24483 2.25024 2.25669 2.25987 2.26542 2.27943 2.28083 2.28987 2.30093 2.30695 2.31485 2.32087 2.32664 2.33275 2.34849 2.36216 2.36429 2.36800 2.37619 2.37790 2.38480 2.38775 2.39562 2.40539 2.40751 2.41790 2.43252 2.43638 2.46043 2.47510 2.47695 2.48437 2.48940 2.49028 2.50034 2.51349 2.52181 2.52451 2.53104 2.53559 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1851.80 1852.54 1877.78 1883.65 1890.22 1890.89 1897.87 1923.72 1933.34 1937.00 1946.43 1987.30 1987.86 1997.32 2007.77 2013.80 2034.99 2037.48 2048.06 2068.26 2090.36 2091.32 2106.21 2127.09 2131.01 2136.07 2150.46 2151.83 2159.07 2178.86 2178.97 2195.71 2202.87 2203.03 2214.20 2220.63 2231.63 2234.67 2257.78 2259.24 2266.54 2281.32 2315.86 2337.73 2343.12 2343.72 2350.54 2354.26 2358.32 2359.20 2364.63 2365.17 2365.34 2369.40 2392.73 2394.27 2403.98 2404.88 2408.52 2426.02 2437.02 2448.37 2525.56 2537.25 2593.61 2608.23 2778.25 4554.76 4590.22 4597.07 4599.29 4610.06 4615.39 4632.21 4639.80 4640.64 4656.69 4673.58 4678.80 4687.54 4689.29 4701.62 4705.93 4710.49 4717.65 4719.05 4720.86 4721.00 4726.56 4732.55 4752.48 4779.30 4780.97 4785.34 4792.88 4808.84 4814.95 4834.53 4839.72 4864.97 4902.52 4916.18 4923.75 4927.09 5324.23 5600.41 0.700633 0.732617 0.733561 0.631085 -1921.979959 -1921.947975 -1921.947031 -1922.049507 3.437062D-04 MUNgauss RevisionA2.0 retrievium 28-Jul-2020 DUDE CN1CCCc2c1ccc(c2)[C@H](CNC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)[NH+]5CCCCC5 C38671079 RHF 6-31G(d) (6D,10F) C1 511.274288 |X|Y|Z| 78.646358 36.279407 145.190754 74.546270 32 6 7 16 27 4 1 |36.858105| |13.154384|53.358707| |7.694395|17.806470|36.858105| |5.057042|10.574592|12.534988|36.858105| |4.400337|8.959072|7.655908|12.503697|36.858105| |5.089188|10.694800|6.706191|7.616396|12.574952|36.858105| |7.801172|18.912914|7.774348|6.728075|7.490458|13.478688|36.858105| |6.726384|10.725280|5.087343|4.514407|4.996186|7.897841|13.564038|36.858105| |4.524971|7.046751|3.908039|3.765139|4.435348|6.851558|7.850622|13.813887|36.858105| |3.748449|6.169660|3.735189|3.881495|4.995419|7.818440|6.726536|7.893467|13.714685|36.858105| |3.928260|7.064180|4.515088|5.066204|7.591115|13.806048|7.901797|6.943952|8.025339|13.684312|36.858105| |2.903099|4.539240|2.899132|3.049413|3.790251|4.998488|4.387413|5.002260|7.504886|12.611530|7.552188|36.858105| |2.656742|4.209292|2.793354|3.031688|3.856027|4.784560|3.957565|4.183827|5.575134|8.901296|7.320555|17.657179|0.500000| |2.652186|4.023956|2.566493|2.693613|3.164652|3.988839|3.715949|4.317615|6.082209|7.490503|5.280788|12.343085|0.248891|36.858105| |2.655698|4.104202|2.652083|2.872568|3.335691|4.098677|3.734772|4.108600|5.266300|6.410783|5.259375|7.778433|0.198656|13.237170|53.358707| |2.355363|3.667962|2.466456|2.749624|3.214757|3.703193|3.239927|3.361915|4.047057|5.042260|4.684394|6.121901|0.187659|7.866310|19.022550|36.858105| |2.159355|3.343023|2.282087|2.533247|3.000665|3.383561|2.929502|3.023363|3.643987|4.620141|4.327187|6.090370|0.208791|7.058729|11.609645|15.826834|73.516695| |2.271370|3.542771|2.434269|2.774292|3.132302|3.428505|3.020681|3.022261|3.405855|4.003725|4.014123|4.304412|0.128746|5.047715|10.641672|12.732979|14.293411|36.858105| |2.086530|3.268399|2.319920|2.699122|3.051423|3.160383|2.727800|2.645722|2.904201|3.426163|3.618412|3.639950|0.113348|3.925576|7.112110|7.722118|11.975848|13.713639|36.858105| |1.968353|3.057970|2.209427|2.582697|2.807021|2.810299|2.474847|2.367735|2.515612|2.858912|3.057033|2.927627|0.088516|3.119145|5.397869|5.079756|8.058312|7.926414|13.774894|36.858105| |1.994715|3.061675|2.194404|2.531955|2.657402|2.686352|2.440763|2.351273|2.459218|2.702525|2.843589|2.707446|0.079052|2.950113|5.139325|4.472819|6.789183|6.891834|7.963870|13.736233|36.858105| |2.149050|3.274252|2.284115|2.585589|2.701275|2.835287|2.635419|2.596054|2.733912|2.950589|3.013129|2.941498|0.083526|3.338138|6.071754|5.019789|7.121162|7.922242|6.858471|7.898604|13.740333|36.858105| |2.308089|3.541474|2.410307|2.707116|2.922418|3.201850|2.951914|2.980079|3.259267|3.592201|3.552664|3.670065|0.103509|4.392624|8.920075|7.519115|9.413314|13.700079|7.920231|6.859454|7.964864|13.771850|36.858105| |1.795806|2.713268|1.982463|2.267120|2.299809|2.264553|2.097490|2.004609|2.047950|2.197466|2.322153|2.172765|0.062849|2.318653|3.817254|3.152566|5.023473|4.188633|4.719887|6.929558|10.678691|6.938910|4.722745|388.023441| |1.874298|2.804696|2.040869|2.308170|2.278424|2.254458|2.135394|2.042406|2.052604|2.153587|2.264036|2.088957|0.059306|2.235154|3.658477|2.892005|4.539848|3.716605|3.862001|4.998716|7.397543|6.520169|4.447532|94.791171|73.516695| |1.740066|2.648707|1.975171|2.292062|2.330094|2.231129|2.035815|1.915341|1.946677|2.109873|2.274393|2.079822|0.060961|2.160872|3.484097|2.901225|4.762970|3.713687|4.446090|6.528278|7.394712|4.990162|3.857563|94.824383|13.558416|73.516695| |1.586124|2.358967|1.711697|1.915721|1.955735|1.949970|1.825379|1.775139|1.831466|1.953736|2.021584|1.973074|0.056957|2.133068|3.442681|2.842126|4.640097|3.627911|4.012036|5.382105|6.989320|5.421611|4.024767|84.167401|13.788648|13.808014|53.358707| |1.529634|2.243235|1.610157|1.769985|1.794857|1.815992|1.730271|1.706485|1.760772|1.848750|1.879410|1.871109|0.053247|2.054066|3.286122|2.639899|4.287601|3.268773|3.386828|4.142571|5.320546|4.919800|3.768121|49.959244|11.605545|8.865828|17.674197|36.858105| |1.365751|1.990884|1.435399|1.567192|1.594388|1.607107|1.531739|1.514154|1.565582|1.644258|1.666902|1.679224|0.047957|1.829735|2.858334|2.297540|3.834305|2.737909|2.878333|3.406017|3.958706|3.629288|3.005599|34.884868|7.895069|7.250947|11.154141|12.471114|36.858105| |1.352017|1.985813|1.437146|1.580588|1.630013|1.636481|1.539528|1.517381|1.581819|1.684955|1.715493|1.740904|0.050373|1.886734|2.944384|2.428166|4.129886|2.899857|3.174608|3.801179|4.140714|3.592682|3.046738|34.733402|7.106602|7.741103|11.052520|7.939459|12.439982|36.858105| |1.458212|2.167293|1.581251|1.766983|1.824339|1.809176|1.681293|1.635795|1.698545|1.827207|1.891329|1.871039|0.054611|2.004094|3.172876|2.659287|4.491251|3.284982|3.776947|4.916122|5.355409|4.186119|3.411767|50.101558|8.855118|11.663126|17.623906|7.754224|7.887692|12.431152|36.858105| |2.679047|4.033026|2.599600|2.643179|3.204533|4.039724|3.740516|4.334376|6.102217|7.658088|5.388228|12.388391|0.253518|7.435835|6.788843|4.258271|7.979813|3.242855|2.869738|2.395523|2.231515|2.388724|2.859818|13.176915|3.179396|3.179692|2.331002|1.638200|1.494110|1.548230|1.643356|53.358707| |2.884055|4.244370|2.668379|2.638253|3.129585|4.021558|3.943951|4.851079|7.062821|7.484991|5.080645|9.228026|0.183057|6.612128|6.218267|3.770024|6.765833|2.975284|2.615047|2.226395|2.112590|2.284445|2.712039|12.612271|3.081158|3.028821|2.231303|1.580613|1.439852|1.478594|1.563064|25.718504|0.500000| |2.630086|4.007381|2.665401|2.715987|3.374601|4.092758|3.654147|3.957509|5.014520|6.311448|5.321801|7.627811|0.206186|4.925983|5.266531|3.560166|6.810790|2.858394|2.648302|2.246863|2.068948|2.159962|2.511109|12.425578|2.985791|3.053567|2.190478|1.525331|1.400782|1.458672|1.557768|17.185090|0.259392|36.858105| |2.376275|3.491063|2.344323|2.330008|2.776367|3.235769|3.040105|3.308967|3.945934|4.385773|3.837368|4.933936|0.131285|3.762105|4.136673|2.818960|5.360373|2.345352|2.197206|1.910101|1.779108|1.851743|2.110955|10.912924|2.636249|2.686227|1.946467|1.366233|1.267027|1.315455|1.391411|10.339966|0.198785|12.513740|36.858105| |2.042626|2.961555|2.000933|2.005161|2.337511|2.671292|2.529869|2.763559|3.286492|3.605932|3.143318|4.314195|0.116786|3.597490|3.928400|2.715875|5.276323|2.250374|2.110211|1.834180|1.707756|1.776842|2.024979|10.496585|2.524038|2.574249|1.898373|1.339952|1.252228|1.304622|1.366771|8.758098|0.163704|7.566228|12.476545|36.858105| |2.066008|2.974626|1.974275|1.978165|2.283252|2.662839|2.562181|2.888097|3.555033|3.831371|3.169469|4.868570|0.124952|4.341047|4.484584|3.011661|5.815608|2.437310|2.228238|1.920285|1.802484|1.905095|2.205059|10.971566|2.645096|2.656254|1.993849|1.418790|1.321385|1.371792|1.427993|10.356324|0.197987|6.554258|7.628238|12.478872|36.858105| |2.233508|3.285571|2.160927|2.203844|2.589468|3.092751|2.909020|3.303118|4.296320|4.943427|3.876922|7.399052|0.183664|6.495387|6.045565|3.968324|7.799864|3.027925|2.701085|2.262576|2.105807|2.246198|2.673975|12.513024|2.999738|3.009932|2.258032|1.599068|1.474590|1.535516|1.608713|17.224942|0.258780|7.699440|6.512942|7.508991|12.483740|36.858105| |17.645546|12.547976|7.627645|4.879767|3.992321|4.246753|5.733682|4.895636|3.615439|3.135834|3.338327|2.516184|0.065127|2.323251|3.197867|2.125188|3.484048|2.081968|1.939840|1.856801|1.889485|2.015487|2.125190|12.312824|3.231013|3.000701|2.082115|1.475320|1.321344|1.304213|1.407219|3.182854|0.069062|2.321017|2.124432|1.846741|1.855795|1.988357|0.500000| |17.575407|12.343334|5.781661|4.346209|3.871934|4.591454|6.850785|6.844169|4.644883|3.713265|3.732725|2.910521|0.073037|2.744830|3.768072|2.414946|3.885404|2.336790|2.113380|1.996074|2.050368|2.246957|2.420733|13.095061|3.450857|3.130286|2.219109|1.586318|1.409497|1.385884|1.487903|3.621660|0.080149|2.536190|2.289906|1.999993|2.060502|2.241463|0.303342|0.500000| |17.508279|12.246613|6.150925|4.289029|3.995189|4.687690|6.869331|6.599356|4.558790|3.713131|3.780005|2.904797|0.073283|2.614183|3.462913|2.252008|3.722487|2.134109|1.964081|1.838894|1.846605|1.981243|2.142561|11.811699|3.054040|2.869080|2.018773|1.433245|1.289592|1.281711|1.374949|3.773520|0.084293|2.754461|2.538121|2.156208|2.164504|2.301855|0.301663|0.299938|0.500000| |7.379146|12.576920|17.612005|8.887478|5.553000|4.968780|5.778629|4.259260|3.344027|3.155179|3.656954|2.532977|0.067820|2.304292|3.263814|2.240598|3.678876|2.246225|2.147783|2.080920|2.097113|2.182897|2.263452|13.740985|3.584864|3.418083|2.273838|1.579679|1.408912|1.400249|1.537058|3.118625|0.065489|2.324425|2.080024|1.805652|1.791133|1.945271|0.243934|0.159751|0.157781|0.500000| |6.589847|12.307364|17.471238|8.846805|6.886445|5.929336|6.495610|4.578603|3.637088|3.516162|4.213679|2.778721|0.074836|2.418699|3.329549|2.291763|3.840706|2.232059|2.147744|2.037020|1.999807|2.062145|2.180159|12.907950|3.288665|3.239868|2.158229|1.491855|1.342776|1.351148|1.480684|3.491042|0.073166|2.704608|2.416962|2.039211|1.978186|2.132888|0.184906|0.136161|0.167152|0.302474|0.500000| |4.827816|9.555818|8.909036|17.551787|8.843651|6.733045|6.228150|4.408935|3.711370|3.792371|4.796485|3.012756|0.082865|2.749934|4.115753|2.893385|4.633577|3.005597|2.900726|2.818350|2.823259|2.909614|3.006130|17.959580|4.646480|4.493447|2.851217|1.932810|1.689528|1.691587|1.902351|3.482884|0.070904|2.556702|2.188853|1.915263|1.919411|2.158194|0.129586|0.122546|0.110364|0.216663|0.173934|0.500000| |4.157991|7.663129|8.892124|17.571420|8.828253|5.536391|4.920722|3.613818|3.125622|3.253119|4.122177|2.669705|0.074885|2.377469|3.440450|2.471938|4.111766|2.521322|2.514001|2.448676|2.388499|2.388061|2.452532|15.569793|3.946089|4.009719|2.523645|1.703823|1.519812|1.536725|1.723286|3.212468|0.065011|2.458731|2.145170|1.862334|1.820675|2.005317|0.116942|0.100322|0.101291|0.213562|0.215283|0.302267|0.500000| |3.602227|6.751981|5.545896|8.824076|17.563919|8.894603|5.657307|4.222880|3.998263|4.724469|7.151835|3.794734|0.111679|3.215507|4.761550|3.514557|5.841317|3.507032|3.524297|3.235852|2.989619|2.968364|3.192994|18.148038|4.415081|4.663681|2.910854|1.931081|1.709028|1.762487|1.999457|4.261454|0.082898|3.273339|2.665997|2.288535|2.243803|2.576544|0.092357|0.091642|0.091441|0.124062|0.139891|0.216295|0.207844|0.500000| |4.037831|7.661938|6.787762|8.880235|17.510419|8.902765|6.147754|4.413409|3.998496|4.494418|6.438567|3.543004|0.101207|2.904252|4.035767|2.882821|4.927409|2.764791|2.731622|2.515101|2.358946|2.373308|2.556845|14.729815|3.622845|3.765462|2.436751|1.646715|1.480593|1.520544|1.691818|4.272054|0.084956|3.461944|2.895142|2.399072|2.286897|2.543646|0.103555|0.096816|0.106593|0.139814|0.200020|0.174053|0.218319|0.303670|0.500000| |7.641631|9.726518|4.638432|3.925312|4.061710|5.616074|8.846965|17.789996|9.028776|5.655734|4.994923|4.098916|0.096432|3.747159|4.842692|2.936337|4.718883|2.683436|2.358391|2.145026|2.159974|2.395037|2.706325|13.322958|3.430735|3.167668|2.278654|1.626749|1.448212|1.440339|1.540292|5.099439|0.118825|3.413687|2.998829|2.556505|2.690446|2.989610|0.148785|0.241329|0.217988|0.113885|0.117072|0.107792|0.089865|0.097009|0.102315|0.500000| |3.970482|5.731769|3.276476|3.126171|3.545184|4.936968|5.628929|9.036820|17.655839|8.843624|5.656536|6.872076|0.138967|6.310875|6.911250|3.820869|6.171296|3.185736|2.694115|2.343268|2.310363|2.591777|3.095106|13.769747|3.458925|3.246338|2.393796|1.711436|1.529252|1.539830|1.634238|8.484048|0.220364|4.743962|3.933484|3.391495|3.841745|4.606423|0.090076|0.116924|0.113549|0.080509|0.085769|0.086473|0.074102|0.090832|0.090835|0.221639|0.500000| |3.283364|5.723378|3.945497|4.659569|7.141902|9.027126|5.640458|4.985531|5.679831|8.920557|17.675918|7.028263|0.226369|4.975082|6.936097|4.992498|8.585474|4.274628|4.032045|3.331206|2.984248|3.067715|3.595413|17.171496|4.095171|4.273048|2.856000|1.923016|1.712680|1.785406|1.985873|6.919130|0.125609|5.290330|3.767665|3.140800|3.109922|3.823690|0.080289|0.086651|0.087968|0.090835|0.104372|0.122567|0.110761|0.217183|0.176997|0.108179|0.123961|0.500000| |2.311620|3.459895|2.257320|2.371735|2.758442|3.324773|3.091327|3.495643|4.610254|5.483362|4.252235|8.756757|0.216010|17.691691|12.753758|7.405789|13.704927|4.747375|3.810558|3.019911|2.820636|3.137062|4.053548|15.879356|3.780163|3.709266|2.854125|2.025943|1.827534|1.902183|1.999142|9.285863|0.161590|4.652973|3.689811|3.742833|4.687770|7.346317|0.057123|0.066115|0.063693|0.056865|0.059746|0.066985|0.059221|0.078647|0.071628|0.086694|0.134897|0.116888|0.500000| |2.763753|4.078056|2.542316|2.596281|2.965376|3.771435|3.733997|4.598216|6.596642|6.777862|4.693610|8.725838|0.174134|17.588348|12.595674|5.794372|9.101326|4.248178|3.349199|2.776302|2.707376|3.113026|3.996601|15.482114|3.803031|3.580284|2.741097|1.969665|1.755273|1.785651|1.878268|9.070975|0.188904|4.439913|3.588861|3.438622|4.248240|5.924862|0.066700|0.081032|0.076136|0.063947|0.066374|0.073853|0.063434|0.081719|0.075664|0.114720|0.216848|0.117185|0.301700|0.500000| |2.936393|4.562056|2.891140|3.126544|3.552657|4.445363|4.168870|4.609784|5.713540|6.443905|5.427289|6.504306|0.160885|9.068397|26.081433|9.334357|10.937365|7.362540|4.935171|3.947534|3.934485|4.857647|7.209911|20.824072|5.119922|4.689890|3.523430|2.483974|2.127636|2.156252|2.335211|5.978049|0.117171|3.522983|2.818816|2.631475|2.956825|3.807767|0.071640|0.086459|0.076731|0.072824|0.072611|0.093505|0.075214|0.102341|0.085556|0.110641|0.149610|0.138604|0.182489|0.225824|0.500000| |2.016156|3.164912|2.264981|2.635575|3.052083|3.130570|2.654394|2.566099|2.842491|3.432682|3.661846|3.750931|0.122193|3.882339|6.602287|7.231325|13.375257|8.939915|17.756766|8.914067|5.654131|4.947601|5.647222|27.724938|5.754760|6.905202|4.680983|2.930944|2.585902|2.896665|3.395474|4.073722|0.074330|2.818204|2.322075|2.236913|2.333683|2.835520|0.052070|0.056112|0.053249|0.057810|0.059078|0.076866|0.068773|0.098693|0.077456|0.063231|0.073075|0.117899|0.107125|0.090255|0.122156|0.500000| |1.839767|2.851419|2.096091|2.459120|2.661270|2.595091|2.279029|2.159378|2.272560|2.575802|2.788251|2.631672|0.080160|2.732295|4.522638|4.137626|6.954362|5.638626|8.908162|17.760323|8.922586|5.636036|4.948805|47.137485|8.201162|13.361548|7.227590|3.918870|3.361972|3.887074|5.284709|3.000766|0.056884|2.109901|1.811862|1.742147|1.801228|2.092214|0.048612|0.051384|0.047923|0.055042|0.054179|0.073697|0.066006|0.085681|0.067272|0.054566|0.058799|0.085309|0.074192|0.067951|0.091183|0.214001|0.500000| |2.120338|3.176962|2.209759|2.460381|2.504296|2.627347|2.509561|2.486505|2.573231|2.695163|2.727724|2.648767|0.073828|3.002623|5.256974|4.081028|5.944887|5.636518|4.947879|5.634706|8.920177|17.759486|8.909739|47.214099|13.284744|8.177834|7.326772|5.342107|3.776294|3.522738|3.971293|2.987500|0.059131|1.986180|1.725805|1.657560|1.779254|2.069514|0.055611|0.062245|0.054058|0.059498|0.055218|0.077422|0.063276|0.074992|0.061312|0.064852|0.068467|0.075672|0.078277|0.080113|0.119146|0.107490|0.124188|0.500000| |2.404669|3.629820|2.411524|2.638818|2.821290|3.185054|3.038606|3.171721|3.501132|3.719837|3.520746|3.783762|0.102260|4.771648|9.776669|6.874842|8.644707|8.861237|5.628191|4.946234|5.669449|8.975736|17.729701|27.829340|6.930735|5.756362|4.718605|3.411527|2.765223|2.738879|2.961433|4.025869|0.079299|2.534775|2.143415|2.060247|2.279222|2.768857|0.060997|0.071272|0.062071|0.063090|0.060446|0.081216|0.065750|0.083253|0.068703|0.081021|0.094488|0.095510|0.119848|0.126206|0.238631|0.123985|0.107473|0.216172|0.500000| |1.580207|2.314379|1.642284|1.796586|1.835642|1.885102|1.801269|1.796174|1.870994|1.962792|1.970137|2.003882|0.056755|2.242399|3.627144|2.911203|4.670396|3.632543|3.629494|4.289748|5.578584|5.624446|4.326625|43.670557|10.315798|7.767924|12.251969|17.517704|8.776776|6.696120|6.256241|2.375046|0.046762|1.605783|1.433934|1.411368|1.507930|1.711127|0.042054|0.045764|0.041193|0.044554|0.042212|0.054472|0.047604|0.054679|0.046656|0.047555|0.050823|0.055762|0.061647|0.059836|0.076079|0.085948|0.107864|0.172197|0.109911|0.500000| |1.550775|2.262729|1.626461|1.780789|1.780482|1.796527|1.727998|1.699695|1.734442|1.801553|1.835581|1.799234|0.050806|1.964664|3.127298|2.459707|3.968618|3.006769|3.058778|3.683625|4.775874|4.604981|3.523738|46.660338|13.100630|8.358553|12.335092|17.662717|8.680591|5.700318|5.790141|2.149460|0.042609|1.472896|1.323123|1.291522|1.365159|1.531464|0.041753|0.044831|0.040179|0.044670|0.041694|0.054362|0.047672|0.052885|0.045262|0.045272|0.046801|0.051731|0.053328|0.052830|0.066585|0.073848|0.096746|0.147484|0.090615|0.300451|0.500000| |1.317418|1.906984|1.366819|1.478681|1.505253|1.529471|1.468060|1.463556|1.517550|1.584024|1.589857|1.625607|0.046158|1.784495|2.763564|2.197211|3.676546|2.566950|2.636728|3.009969|3.447924|3.308446|2.826444|28.291232|6.674364|5.954423|7.921236|8.732545|17.590705|8.677557|5.641218|1.982074|0.039099|1.359037|1.235611|1.227584|1.301525|1.447431|0.035366|0.037891|0.034672|0.037286|0.035592|0.044120|0.039721|0.044498|0.038937|0.039075|0.041484|0.045141|0.049774|0.047880|0.057002|0.066289|0.081372|0.096598|0.073875|0.218609|0.194292|0.500000| |1.317684|1.916083|1.390908|1.517295|1.530949|1.530248|1.462055|1.437350|1.474269|1.542431|1.572963|1.562630|0.044587|1.683746|2.607260|2.077889|3.481078|2.447776|2.584693|3.055857|3.510261|3.198745|2.666981|32.304527|7.573286|7.050685|9.425422|8.862600|17.563450|8.810128|6.795450|1.902894|0.037528|1.320040|1.198947|1.181522|1.239772|1.374631|0.035612|0.037689|0.034532|0.038118|0.036189|0.045416|0.041136|0.045498|0.039601|0.038294|0.039914|0.044844|0.046516|0.045008|0.054133|0.065224|0.085404|0.093060|0.068569|0.174357|0.220296|0.301414|0.500000| |1.363663|2.002463|1.438832|1.577508|1.641860|1.665188|1.565038|1.554794|1.636875|1.749797|1.764713|1.831364|0.053056|2.008433|3.138862|2.612920|4.468752|3.106790|3.368991|3.908308|4.163455|3.709876|3.234775|31.551871|6.509120|6.932743|9.095803|6.833456|8.829086|17.550633|8.824873|2.215165|0.043031|1.522471|1.371068|1.368289|1.447877|1.628182|0.036354|0.038890|0.036029|0.038754|0.037627|0.046740|0.042363|0.049252|0.042571|0.040936|0.044471|0.051067|0.056819|0.052624|0.063170|0.085501|0.108266|0.099277|0.080899|0.188010|0.137972|0.217167|0.173943|0.500000| |1.262164|1.848042|1.343537|1.472746|1.517410|1.515948|1.427224|1.404956|1.461526|1.554978|1.585243|1.607583|0.046579|1.726204|2.653404|2.175768|3.753369|2.535935|2.783011|3.256108|3.423918|3.000806|2.616207|28.385693|5.978023|6.737858|7.948522|5.663489|8.674557|17.595156|8.732775|1.966261|0.038336|1.370696|1.244410|1.237477|1.294889|1.437924|0.033926|0.035815|0.033352|0.036416|0.035273|0.043501|0.040000|0.045458|0.039602|0.037125|0.039562|0.045899|0.048511|0.045451|0.053764|0.072280|0.094574|0.081703|0.066078|0.136241|0.125992|0.196357|0.216202|0.301997|0.500000| |1.407774|2.090976|1.540541|1.724562|1.767771|1.731147|1.608640|1.553444|1.600033|1.717196|1.792445|1.744144|0.050936|1.841470|2.879893|2.388264|4.064750|2.889668|3.329522|4.268437|4.525025|3.580363|2.969469|44.418336|8.231229|12.000131|12.349496|6.063221|6.472924|8.709536|17.617979|2.100255|0.040847|1.477190|1.325520|1.298066|1.345994|1.505017|0.037957|0.039724|0.036865|0.041768|0.040183|0.051447|0.047165|0.053830|0.045756|0.040699|0.042632|0.052340|0.050844|0.048069|0.059056|0.085077|0.132687|0.095509|0.072466|0.134714|0.140843|0.133280|0.180073|0.174654|0.219613|0.500000| |1.493650|2.235670|1.630592|1.833593|1.921108|1.906000|1.750566|1.701782|1.782474|1.943032|2.016848|2.010527|0.059386|2.149055|3.418024|2.941947|5.034504|3.670476|4.438054|5.906266|5.803511|4.349611|3.650246|46.353961|7.978370|11.513996|12.214048|5.908969|5.734805|8.719823|17.590484|2.390830|0.046029|1.667244|1.480009|1.455834|1.519350|1.722798|0.039858|0.042175|0.039223|0.043686|0.042520|0.054556|0.049589|0.058994|0.049551|0.044192|0.047490|0.059515|0.059901|0.055243|0.068945|0.111976|0.185457|0.108910|0.086143|0.149333|0.128391|0.127024|0.137626|0.223888|0.192450|0.301806|0.500000| |2.399100|3.692036|2.519246|2.638152|3.306498|3.840819|3.310129|3.450218|4.237321|5.514461|5.040072|7.036762|0.227126|4.736172|5.260295|3.752793|7.527057|2.993779|2.835886|2.377507|2.147147|2.208637|2.563453|12.832643|3.044834|3.178030|2.266164|1.565350|1.442435|1.516543|1.625867|12.444691|0.182491|17.604385|8.801839|6.844256|5.828070|7.093245|0.059636|0.064280|0.068672|0.061331|0.070792|0.069276|0.067198|0.092082|0.094475|0.082912|0.110148|0.151862|0.129474|0.113241|0.095668|0.086020|0.062449|0.055826|0.070581|0.045692|0.041729|0.038758|0.037701|0.044065|0.039642|0.042822|0.048735|0.500000| |3.009982|4.700814|3.109160|3.150108|4.044316|5.072754|4.414044|4.662546|5.780830|7.453928|6.662883|7.290697|0.193427|4.623843|5.194637|3.482546|6.434947|2.866544|2.663550|2.279953|2.108747|2.200073|2.541098|12.700127|3.070323|3.132544|2.212295|1.534706|1.401692|1.453459|1.563177|12.373677|0.224013|17.681968|8.786798|5.497362|4.903695|5.623754|0.072940|0.079101|0.088022|0.073677|0.088483|0.080718|0.078179|0.105815|0.117185|0.107988|0.141273|0.176163|0.115401|0.117590|0.099784|0.078040|0.059499|0.056317|0.071072|0.044688|0.041384|0.037630|0.036822|0.041874|0.037891|0.041332|0.046323|0.301336|0.500000| |2.290077|3.376472|2.319762|2.310492|2.756130|3.106515|2.884180|3.029655|3.458701|3.847285|3.582931|4.129870|0.114570|3.209885|3.682927|2.567544|4.889881|2.184214|2.084707|1.830607|1.698605|1.748094|1.966535|10.518429|2.536468|2.612676|1.873949|1.309652|1.218943|1.268292|1.345408|7.571714|0.145396|8.987008|17.573813|8.786362|5.522049|4.884956|0.057520|0.060506|0.068035|0.057161|0.067477|0.059599|0.059843|0.073482|0.081815|0.076485|0.093384|0.099825|0.087382|0.084534|0.070417|0.061566|0.048721|0.045290|0.054925|0.037954|0.035267|0.032941|0.032166|0.036572|0.033456|0.035797|0.039752|0.214023|0.213682|0.500000| |2.535032|3.648540|2.408413|2.335324|2.734030|3.234375|3.162694|3.540602|4.176121|4.332556|3.714552|4.582574|0.115895|3.600211|3.967087|2.641496|4.890952|2.225429|2.065131|1.813444|1.711482|1.796246|2.041030|10.560138|2.575198|2.587361|1.881898|1.328657|1.229835|1.267525|1.337213|9.291328|0.209215|8.869043|17.514253|8.814932|6.801445|5.686540|0.062496|0.067907|0.076676|0.059487|0.069210|0.060869|0.059387|0.071535|0.078914|0.090908|0.118618|0.097393|0.095948|0.099365|0.076604|0.059733|0.047635|0.046916|0.058199|0.038749|0.035926|0.033385|0.032386|0.036610|0.033287|0.035414|0.039266|0.173242|0.214131|0.303987|0.500000| |1.912053|2.799065|1.919600|1.953512|2.287902|2.562116|2.377691|2.539303|2.986543|3.368378|3.029176|4.089677|0.116984|3.440141|3.847054|2.743714|5.471343|2.276467|2.168023|1.877970|1.728772|1.779691|2.021388|10.620801|2.532171|2.619888|1.926717|1.352980|1.269713|1.332749|1.398025|7.648658|0.135071|6.785087|8.850044|17.529302|8.845260|6.719049|0.048386|0.051898|0.055475|0.048196|0.054295|0.051900|0.050794|0.063179|0.065410|0.064840|0.083930|0.086673|0.101575|0.088754|0.070864|0.064775|0.049870|0.045845|0.056459|0.039511|0.036063|0.034517|0.033257|0.038893|0.035200|0.036905|0.041586|0.200545|0.139318|0.214872|0.173386|0.500000| |1.918232|2.739985|1.860622|1.845750|2.115616|2.384514|2.296211|2.500530|2.890735|3.067863|2.722737|3.509087|0.094501|3.037028|3.405360|2.359400|4.524760|1.998516|1.884385|1.661033|1.557746|1.618166|1.823097|9.688702|2.339293|2.378809|1.760122|1.247451|1.171301|1.216766|1.269100|6.598101|0.131378|5.509373|8.826813|17.587995|8.844223|5.490154|0.048531|0.052149|0.056618|0.047021|0.052974|0.048929|0.047944|0.057241|0.060604|0.065455|0.083466|0.075056|0.087325|0.082448|0.064313|0.055149|0.044038|0.042248|0.051625|0.036403|0.033491|0.031974|0.030796|0.035370|0.032178|0.033591|0.037381|0.139674|0.123186|0.208803|0.214843|0.303446|0.500000| |1.860094|2.663495|1.784252|1.796031|2.048093|2.344755|2.258224|2.515360|3.026013|3.239477|2.749446|4.064870|0.107506|3.869628|4.126803|2.830219|5.521148|2.316134|2.131108|1.846303|1.734166|1.827312|2.102161|10.610090|2.550258|2.565957|1.948464|1.392192|1.305652|1.358792|1.403826|7.584008|0.144868|4.913269|5.522079|8.787467|17.574195|8.985047|0.046852|0.051774|0.053776|0.045379|0.049529|0.048722|0.046263|0.056409|0.056830|0.065794|0.090675|0.075863|0.120694|0.105197|0.075366|0.062059|0.048268|0.047503|0.060266|0.041158|0.037095|0.035867|0.033982|0.039998|0.035731|0.036713|0.041498|0.130563|0.108013|0.123203|0.139014|0.214749|0.209271|0.500000| |2.146871|3.038069|1.990602|1.961599|2.234078|2.631052|2.604986|3.008099|3.689235|3.760465|3.064399|4.517864|0.111021|4.130540|4.287210|2.806023|5.248454|2.306596|2.090688|1.821260|1.732255|1.846533|2.129548|10.609230|2.582124|2.557079|1.926295|1.379345|1.282127|1.320497|1.370998|9.281324|0.207631|5.697785|6.807276|8.836515|17.511435|8.880590|0.053328|0.059835|0.063125|0.050345|0.055399|0.052911|0.049954|0.060196|0.061972|0.079397|0.114960|0.081293|0.119316|0.118816|0.080324|0.059955|0.047333|0.048360|0.061896|0.040740|0.037066|0.035163|0.033480|0.038607|0.034603|0.035933|0.040256|0.133308|0.127482|0.139158|0.198571|0.173556|0.215950|0.304081|0.500000| 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