Version2.0 2020-07-29T16:23:53Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 17-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccccc1C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4cc(cc(c4)OC)OC C39653073 RHF 6-31G(d) (6D,7F) CCOc1ccccc1C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4cc(cc(c4)OC)OC C01[X(C28H38N3O5)] 216 C1 616 CCOc1ccccc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1cc(OC)cc(c1)OC CCOc1ccccc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1cc(OC)cc(c1)OC CCOc1ccccc1C(=O)N2C[C@@H](C(=O)NCCc3cc(OC)cc(OC)c3)C4(CC[NH2+]CC4)C2 InChIKey=PLJDOSTUEQJKTH-DEOSSOPVSA-O InChI=1S/C28H37N3O5/c1-4-36-25-8-6-5-7-23(25)27(33)31-18-24(28(19-31)10-13-29-14-11-28)26(32)30-12-9-20-15-21(34-2)17-22(16-20)35-3/h5-8,15-17,24,29H,4,9-14,18-19H2,1-3H3,(H,30,32)/p+1/t24-/m0/s1 InChI=1/C28H37N3O5/c1-4-36-25-8-6-5-7-23(25)27(33)31-18-24(28(19-31)10-13-29-14-11-28)26(32)30-12-9-20-15-21(34-2)17-22(16-20)35-3/h5-8,15-17,24,29H,4,9-14,18-19H2,1-3H3,(H,30,32)/p+1/t24-/m0/s1/fC28H38N3O5/h29-30H/q+1 CCOc1ccccc1C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4cc(cc(c4)OC)OC C01[X(C28H38N3O5)] 216 C01 616 CCOc1ccccc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1cc(OC)cc(c1)OC CCO[C]1[CH][CH][CH][CH][C]1C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)[C]([NH]CC[C]1[CH][C]([CH][C]([CH]1)OC)OC)=O CCO[C]1[CH][CH][CH][CH][C]1C(=O)N2C[C@@H](C(=O)NCC[C]3[CH][C]([CH][C]([CH]3)OC)OC)C4(CC[NH2]CC4)C2 InChIKey=GDJNZMMFYKEARX-DEOSSOPVSA-N InChI=1S/C28H38N3O5/c1-4-36-25-8-6-5-7-23(25)27(33)31-18-24(28(19-31)10-13-29-14-11-28)26(32)30-12-9-20-15-21(34-2)17-22(16-20)35-3/h5-8,15-17,24H,4,9-14,18-19,29H2,1-3H3,(H,30,32)/t24-/m0/s1 InChI=1/C28H38N3O5/c1-4-36-25-8-6-5-7-23(25)27(33)31-18-24(28(19-31)10-13-29-14-11-28)26(32)30-12-9-20-15-21(34-2)17-22(16-20)35-3/h5-8,15-17,24H,4,9-14,18-19,29H2,1-3H3,(H,30,32)/t24-/m0/s1/f/h30H 3843.8547812279 -1619.9075407 1-A 30929.9253 133 483 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.67182 -20.64070 -20.64017 -20.61748 -20.61637 -15.85260 -15.68029 -15.67818 -11.44405 -11.44114 -11.44109 -11.43458 -11.38682 -11.37549 -11.36882 -11.36876 -11.36733 -11.36598 -11.35756 -11.35698 -11.35585 -11.35557 -11.33978 -11.33089 -11.33061 -11.32215 -11.31882 -11.31722 -11.30777 -11.30223 -11.30213 -11.30210 -11.29784 -11.27414 -11.26619 -11.26496 -1.50245 -1.48813 -1.48604 -1.48354 -1.47178 -1.46929 -1.36277 -1.32871 -1.24794 -1.23540 -1.20847 -1.20098 -1.15683 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2229.39 2235.61 2247.36 2248.11 2254.47 2276.19 2277.59 2326.72 2327.51 2338.06 2343.60 2347.01 2353.33 2363.91 2369.15 2370.25 2371.11 2374.65 2375.45 2377.56 2377.89 2380.66 2390.37 2391.85 2395.14 2400.64 2407.08 2423.81 2472.48 2566.93 2581.88 2597.12 2602.57 2628.97 2761.75 2765.45 4593.43 4606.43 4621.04 4622.31 4623.15 4626.31 4636.13 4659.95 4684.00 4694.17 4699.49 4699.78 4705.84 4715.60 4716.56 4720.91 4725.33 4731.42 4738.85 4765.94 4786.82 4789.60 4797.81 4798.37 4800.53 4804.91 4826.34 4850.50 4850.64 4862.46 4863.57 4867.41 4890.61 4910.11 4953.62 5281.14 5373.02 5598.11 0.687975 0.721142 0.722086 0.616519 -1619.219566 -1619.186399 -1619.185454 -1619.291022 3.540768D-04 MUNgauss RevisionA2.0 retrievium 29-Jul-2020 DUDE CCOc1ccccc1C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4cc(cc(c4)OC)OC C39653073 RHF 6-31G(d) (6D,10F) C1 496.281147 |X|Y|Z| 60.676631 44.844194 158.862161 75.610605 27 6 7 24 3 |36.858105| |12.579432|36.858105| |8.061269|13.481803|73.516695| |5.235396|7.963328|25.108444|36.858105| |4.391394|6.667269|14.029983|13.740060|36.858105| |3.337026|4.494945|9.251961|7.934970|13.728411|36.858105| |2.975664|3.775600|8.188012|6.827490|7.902354|13.785607|36.858105| |3.205355|3.977881|9.385336|7.915238|6.883152|7.991823|13.751610|36.858105| |4.101911|5.248657|14.503217|13.640440|7.923367|6.888565|7.903494|13.746350|36.858105| |4.055281|4.616144|12.258617|7.580955|5.039019|4.469272|5.043802|7.629263|12.703452|36.858105| |4.293643|4.606759|11.384852|6.230786|4.376552|3.829268|4.135699|5.596448|8.036799|15.845274|73.516695| |3.391393|3.697734|9.017173|5.392165|4.033181|3.766584|4.346744|6.244027|7.815504|13.899163|15.076488|53.358707| |3.174787|3.493317|8.254500|4.964856|3.940882|3.732290|4.238005|5.628610|6.437276|7.610933|9.556821|17.775118|36.858105| |3.041834|3.143816|7.003183|3.847452|3.152520|2.928784|3.164323|3.879172|4.450021|5.407500|7.929024|10.774501|12.144698|36.858105| |3.249758|3.324617|7.266478|3.853432|3.193883|2.902125|3.027986|3.581215|4.172543|4.760278|7.159124|8.252265|8.698886|17.568704|0.500000| |3.203483|3.166331|7.006707|3.681661|2.951010|2.699481|2.896188|3.583197|4.253610|5.796388|9.393773|11.070917|7.706774|12.203388|0.242413|36.858105| |3.079161|3.153697|7.160042|3.983980|3.144673|2.942800|3.289738|4.299385|5.041567|7.849830|12.485163|17.947723|8.125466|7.964110|0.161288|12.361675|36.858105| |4.115051|3.833409|8.439780|4.029944|3.152133|2.755048|2.834405|3.427557|4.308903|5.731659|10.041736|8.735397|5.903758|7.580664|0.210404|12.319320|7.468221|36.858105| |4.029951|3.547425|7.365024|3.497096|2.797228|2.458463|2.515758|2.991352|3.682566|4.867084|9.763875|6.753915|4.232814|4.886136|0.131714|7.440185|6.090011|12.529868|36.858105| |3.099786|2.777025|5.568720|2.769669|2.310022|2.088364|2.155563|2.516147|2.941118|3.715841|7.177163|5.442133|3.581629|4.335214|0.115359|6.457595|5.167213|7.705939|12.613924|53.358707| |2.933639|2.603587|5.107608|2.551939|2.155361|1.956433|2.012967|2.325531|2.688909|3.339053|6.623801|4.731611|3.080115|3.556786|0.094858|4.928568|4.353876|5.685608|9.155519|25.691521|0.500000| |3.021730|2.677840|5.265788|2.604610|2.203157|1.988522|2.031995|2.335803|2.710804|3.301806|6.196492|4.840493|3.349846|4.167882|0.115979|5.730333|4.364959|7.016164|9.201512|25.687618|0.328503|0.500000| |2.646675|2.481797|5.067234|2.632210|2.214913|2.051384|2.166966|2.554637|2.899895|3.697664|6.873169|5.819241|3.848377|4.804905|0.119212|7.507652|6.098192|6.531930|7.545231|17.193525|0.254682|0.255883|36.858105| |2.678110|2.581285|5.395432|2.845253|2.384557|2.218670|2.364359|2.814390|3.183685|4.042155|6.976904|6.943954|4.972619|7.252091|0.168094|12.388023|7.429418|7.647080|6.454694|10.397684|0.157153|0.193575|12.492424|36.858105| |2.449054|2.526998|5.377824|3.038137|2.624475|2.530741|2.767338|3.273082|3.483303|4.000526|6.104120|7.471198|7.561532|12.490922|0.246544|7.361289|5.870335|4.962903|3.740788|4.953557|0.085564|0.098996|4.292995|6.480569|36.858105| |2.227711|2.293628|4.840773|2.769211|2.411501|2.364704|2.629939|3.120693|3.233177|3.771472|5.885967|7.037378|6.201718|8.001717|0.163654|6.474327|5.958849|4.310510|3.496921|4.789429|0.084338|0.093523|4.393799|6.396966|15.789886|73.516695| |2.284623|2.358032|4.881663|2.752168|2.451934|2.373837|2.544654|2.891129|3.032222|3.290999|5.093238|5.659072|5.632527|7.835373|0.211773|5.160122|4.208272|4.064427|3.155189|4.212254|0.074121|0.087012|3.484736|4.832221|14.210730|15.110127|53.358707| |1.945309|2.004716|4.055968|2.309590|2.111322|2.082703|2.236304|2.480233|2.526534|2.692215|4.257712|4.463034|4.108207|4.991393|0.133797|3.838723|3.353012|3.140649|2.593791|3.555561|0.064184|0.073599|2.960802|3.851728|7.750868|12.099510|17.778404|36.858105| |1.808673|1.825783|3.632369|2.031214|1.857286|1.816500|1.928434|2.128098|2.193086|2.369552|3.857624|3.840432|3.321596|4.122918|0.112229|3.501827|3.007827|2.930338|2.502384|3.568903|0.064830|0.075197|3.001379|3.819221|5.799623|9.869833|10.417226|12.429790|36.858105| |1.585134|1.604869|3.152050|1.777126|1.651773|1.634100|1.733755|1.882532|1.908536|2.029863|3.334197|3.213512|2.706685|3.149562|0.085637|2.767847|2.485723|2.381589|2.096862|2.990394|0.055512|0.062670|2.484414|2.989851|4.111822|7.383931|6.785519|7.563910|12.588798|36.858105| |1.487510|1.509785|2.967745|1.686169|1.570236|1.567073|1.677971|1.823494|1.827988|1.950644|3.221836|3.083861|2.537408|2.868473|0.075931|2.589772|2.404835|2.208416|1.980287|2.838296|0.053250|0.058661|2.391437|2.816267|3.705049|7.103717|5.633233|5.783567|7.589779|13.744354|36.858105| |1.345369|1.366857|2.660508|1.515850|1.427205|1.432111|1.527551|1.639130|1.631305|1.720641|2.860382|2.669612|2.166132|2.383091|0.063693|2.180633|2.058142|1.902580|1.731194|2.471107|0.046930|0.051041|2.048025|2.341645|2.937280|5.561983|4.400436|4.223967|5.030628|7.936141|13.724760|36.858105| |1.290881|1.310432|2.528575|1.436779|1.363233|1.365889|1.443159|1.532584|1.528026|1.594517|2.654080|2.443378|1.989280|2.179594|0.059412|1.985933|1.860935|1.769199|1.610507|2.285236|0.043509|0.047561|1.857751|2.108050|2.619347|4.795144|4.008555|3.775392|4.429322|6.832755|7.886860|13.692919|36.858105| |1.354606|1.372646|2.642800|1.493541|1.417065|1.411015|1.479744|1.568959|1.576066|1.639062|2.719192|2.510073|2.071195|2.299924|0.063851|2.066457|1.900594|1.857431|1.673671|2.365737|0.044774|0.049694|1.903249|2.181884|2.758223|4.889499|4.378751|4.176429|5.027727|7.934016|6.874012|7.953870|13.701088|36.858105| |1.500130|1.517692|2.943332|1.655641|1.556804|1.539557|1.615140|1.728193|1.751175|1.833965|3.023683|2.844635|2.388274|2.726700|0.076209|2.404197|2.163010|2.138676|1.895420|2.681623|0.050157|0.056642|2.168981|2.549874|3.363429|5.838588|5.588890|5.664663|7.583455|13.749467|7.935221|6.876774|7.889531|13.719677|36.858105| |1.292361|1.308168|2.495061|1.406774|1.345041|1.337748|1.390674|1.460580|1.468735|1.513741|2.519497|2.287948|1.880555|2.068229|0.058208|1.865966|1.716966|1.710216|1.548428|2.176576|0.041389|0.045907|1.722581|1.950228|2.406781|4.199375|3.804036|3.446004|3.949216|5.303374|4.631942|5.215666|7.902681|14.174332|8.234775|73.516695| |1.181420|1.196721|2.270387|1.283615|1.234623|1.233292|1.281075|1.337159|1.337740|1.373124|2.296973|2.056724|1.669479|1.807356|0.050607|1.651340|1.540255|1.523209|1.394708|1.958627|0.037543|0.041137|1.544092|1.721051|2.069278|3.649926|3.186471|2.801157|3.112730|3.984148|3.793829|4.520217|6.742920|7.993824|5.262750|24.165568|36.858105| |1.276213|1.297981|2.524904|1.444717|1.362442|1.374373|1.473402|1.580233|1.562092|1.650115|2.758735|2.547474|2.029922|2.193710|0.057956|2.044281|1.971153|1.782661|1.643349|2.349495|0.044998|0.048100|1.955893|2.196105|2.658725|5.155650|3.831836|3.499113|3.951082|5.303560|8.235317|14.175521|7.903380|5.216735|4.633231|7.033958|3.718772|73.516695| |1.168580|1.188713|2.294255|1.313929|1.248992|1.263580|1.348558|1.432277|1.411017|1.477988|2.483615|2.249400|1.777088|1.893758|0.050441|1.777538|1.725867|1.576292|1.466315|2.087977|0.040308|0.042765|1.714172|1.891739|2.231500|4.261862|3.204312|2.831765|3.113869|3.984522|5.263087|7.993463|6.744580|4.521809|3.794986|6.611809|3.778369|24.168220|36.858105| |17.554196|8.857707|12.891547|4.816912|4.001949|3.116585|2.832301|3.085757|3.933118|4.006496|7.334108|4.766856|3.376218|3.358649|0.102848|3.522700|3.227060|4.741715|4.470316|4.632209|0.087604|0.094220|2.857101|2.933172|2.661617|4.230734|3.400987|2.100068|1.957379|1.697613|1.578066|1.419276|1.363653|1.440244|1.607202|2.441946|1.248347|2.377786|1.219923|0.500000| |17.575043|8.875245|12.943759|4.953767|4.031537|3.160603|2.903315|3.199483|4.118203|4.302239|8.671495|4.790480|3.154231|3.028456|0.087576|3.326785|3.270147|4.316561|4.530765|4.614122|0.090579|0.089688|2.841289|2.793768|2.438483|4.001866|3.043026|1.909288|1.786879|1.566777|1.480936|1.338300|1.277092|1.332358|1.472952|2.250246|1.159125|2.268270|1.167355|0.299775|0.500000| |17.567072|8.881358|10.232847|4.240700|3.834628|3.002200|2.653271|2.779844|3.398540|3.312524|6.210657|3.871370|2.701674|2.613305|0.077538|2.727424|2.623072|3.390703|3.384373|3.711276|0.072853|0.074748|2.343418|2.351913|2.165749|3.527636|2.789590|1.773187|1.662071|1.471574|1.382537|1.259304|1.214730|1.275083|1.403614|2.175673|1.123707|2.126340|1.101214|0.301061|0.300473|0.500000| |8.856932|17.562837|16.495735|6.893008|6.689447|4.533127|3.678535|3.718751|4.648018|3.976164|6.772736|4.565481|3.330236|3.018202|0.090539|2.930818|2.862314|3.469779|3.131397|3.441734|0.065589|0.068857|2.288875|2.418318|2.464229|3.938434|3.200240|2.006997|1.819651|1.604621|1.500492|1.362291|1.314479|1.384269|1.530162|2.358026|1.212779|2.289994|1.182170|0.212558|0.173601|0.212664|0.500000| |8.849985|17.577224|16.536214|7.288045|6.813894|4.664769|3.832673|3.916279|4.950966|4.256303|7.765729|4.580209|3.113750|2.769993|0.079559|2.812845|2.889134|3.289745|3.149284|3.432175|0.066769|0.066997|2.279268|2.336985|2.282827|3.749694|2.895695|1.838017|1.679860|1.492474|1.415903|1.289918|1.236225|1.287509|1.412775|2.183902|1.130403|2.191127|1.133888|0.173356|0.212504|0.212528|0.300810|0.500000| |4.657852|7.372423|12.570737|8.890512|17.767257|8.944548|5.646215|4.961475|5.631350|4.095161|6.630943|4.616160|3.360993|2.824331|0.081111|2.664290|2.762121|2.905096|2.616479|2.963451|0.056783|0.058306|2.060626|2.198312|2.379112|3.877186|3.076802|1.963351|1.746279|1.561097|1.478717|1.350903|1.299116|1.355276|1.484538|2.302650|1.191672|2.288773|1.185571|0.115569|0.113886|0.117262|0.230372|0.217452|0.500000| |2.979307|3.899936|7.469153|5.656068|8.954797|17.723110|8.929989|5.666863|4.960598|3.569489|5.621817|4.241890|3.134367|2.550516|0.070791|2.353845|2.527779|2.402048|2.170164|2.550786|0.049085|0.049928|1.840724|1.979584|2.256780|3.766604|2.930429|1.921216|1.686201|1.533742|1.472808|1.357111|1.302099|1.344886|1.457240|2.280568|1.188662|2.318628|1.206821|0.077364|0.077900|0.076629|0.112733|0.114294|0.217349|0.500000| |2.550053|3.123379|6.500676|4.930128|5.627535|8.904083|17.740375|8.905559|5.631732|4.111440|6.191848|5.089894|3.701243|2.841649|0.075136|2.597655|2.946786|2.498780|2.242960|2.672869|0.051223|0.051570|1.996713|2.173468|2.575957|4.422632|3.256728|2.149599|1.854479|1.688967|1.648045|1.511468|1.428170|1.455990|1.576767|2.434084|1.267823|2.606409|1.348022|0.067872|0.069445|0.064282|0.085439|0.088541|0.124209|0.214449|0.500000| |2.815452|3.328718|7.591511|5.641032|4.957254|5.667918|8.918720|17.716471|8.951236|7.106201|9.472042|8.975351|5.759491|3.938427|0.097315|3.658173|4.611194|3.328880|2.928798|3.429410|0.064745|0.064501|2.629619|2.909699|3.439471|6.024470|4.051316|2.582105|2.206798|1.958061|1.919419|1.721242|1.593915|1.617746|1.778713|2.656994|1.369345|2.970377|1.508734|0.076246|0.079254|0.068508|0.086547|0.090892|0.107667|0.124360|0.214692|0.500000| |3.493590|4.007870|9.745428|6.039383|4.745608|4.372932|4.800432|6.191217|7.391258|7.262029|9.077381|12.332910|17.668300|8.625873|0.226320|5.950530|5.905528|5.392476|3.912919|4.419309|0.078569|0.085954|3.328500|4.110290|5.848824|8.457207|6.804781|3.736158|3.033413|2.512895|2.331216|2.019532|1.885225|1.980582|2.271917|3.241234|1.622622|3.351537|1.668471|0.103495|0.093496|0.081971|0.108585|0.097110|0.110802|0.100137|0.112414|0.159479|0.500000| |2.719496|3.003015|6.797075|4.240703|3.584378|3.586416|4.238660|5.493267|5.489017|5.965889|7.918838|12.377308|17.612221|8.684043|0.181784|5.916655|6.603638|4.515944|3.495974|4.224193|0.075645|0.081082|3.426992|4.364356|7.681606|12.140773|7.927517|4.451476|3.454960|2.855915|2.715966|2.313671|2.105334|2.172192|2.494354|3.476948|1.737857|3.870165|1.896208|0.079170|0.075054|0.065752|0.080655|0.076253|0.085135|0.085071|0.107158|0.168563|0.302491|0.500000| |2.625706|2.704853|5.946303|3.406561|2.806570|2.710873|3.084466|3.948234|4.281145|5.913186|9.440143|12.497246|7.070965|7.010479|0.140808|8.847140|17.594936|5.482404|4.726597|6.036189|0.106861|0.106683|5.648160|7.020844|6.263124|12.992384|5.921346|3.580748|3.204586|2.661489|2.627553|2.229889|1.983322|2.000966|2.272864|3.176529|1.603446|3.829538|1.868123|0.075977|0.076696|0.063497|0.069427|0.069908|0.068808|0.065606|0.078932|0.123040|0.142025|0.186445|0.500000| |3.153704|3.166559|7.069703|3.856326|3.041695|2.824170|3.120769|4.025319|4.774630|7.608597|14.795068|12.509403|5.807193|5.637568|0.127224|8.534386|17.708708|6.843363|6.762063|7.604918|0.136089|0.124285|6.316146|6.350612|4.447459|8.134433|4.659416|2.837468|2.617983|2.214027|2.160885|1.877713|1.706075|1.734292|1.949613|2.805359|1.427715|3.227061|1.605829|0.090067|0.096146|0.074657|0.078139|0.081911|0.074797|0.067679|0.077725|0.118612|0.131132|0.137246|0.301077|0.500000| |5.067551|4.844645|11.537003|5.160953|3.811217|3.209905|3.251887|3.984324|5.369510|7.166778|12.118618|9.759769|6.447013|6.975503|0.201040|8.685027|6.871019|17.618023|9.041412|7.645307|0.127338|0.143984|4.876025|5.512898|4.507177|6.919720|5.162760|2.949208|2.684663|2.218375|2.061346|1.794357|1.679615|1.763928|2.015628|2.907982|1.463624|2.995907|1.500585|0.163220|0.145678|0.110321|0.118657|0.111262|0.096490|0.076290|0.077648|0.103591|0.177429|0.131434|0.139266|0.177194|0.500000| |3.955748|3.606716|7.536895|3.587432|2.913232|2.549947|2.579691|3.018051|3.680703|4.479391|7.716030|6.750925|5.078548|6.964039|0.225622|8.811072|5.474228|17.496147|8.908458|9.464279|0.144544|0.206331|5.770602|6.948730|4.854041|7.231943|5.762971|3.250101|3.085812|2.478790|2.253327|1.937769|1.818951|1.934602|2.248534|3.182567|1.583781|3.191051|1.587257|0.132249|0.110931|0.092658|0.093788|0.085154|0.076239|0.062719|0.063776|0.080926|0.134875|0.112144|0.123340|0.138312|0.304386|0.500000| |3.937469|3.561041|7.515406|3.649508|2.887211|2.554138|2.646872|3.199011|3.956778|5.505258|12.221949|7.270870|4.193518|4.481028|0.115782|6.664513|6.676436|8.771938|17.657492|12.331570|0.223920|0.180656|6.813505|5.643249|3.501576|6.008939|3.973409|2.437915|2.330213|1.981034|1.898350|1.669622|1.546614|1.592435|1.786987|2.616298|1.334039|2.845873|1.432912|0.114928|0.127502|0.091773|0.085506|0.090221|0.074065|0.062224|0.065442|0.087786|0.106445|0.097481|0.141014|0.239498|0.214392|0.173365|0.500000| |4.598318|3.771724|7.436965|3.399819|2.757040|2.385863|2.385592|2.768707|3.409601|4.241826|8.563212|5.586543|3.628919|4.069126|0.115111|5.435408|4.619372|8.776441|17.626784|12.363580|0.221494|0.226419|5.563934|4.880134|3.201731|5.277606|3.825322|2.345773|2.275902|1.931849|1.817294|1.605268|1.508665|1.574336|1.772786|2.614588|1.329671|2.706411|1.369306|0.144867|0.146782|0.107498|0.091850|0.092265|0.073175|0.058998|0.059025|0.073962|0.097271|0.084512|0.104277|0.139861|0.213961|0.215780|0.301544|0.500000| |2.597589|2.466907|5.074221|2.677095|2.245452|2.095787|2.239904|2.669123|3.010298|3.929955|7.524430|6.122820|3.812739|4.422921|0.106873|6.740365|6.716025|5.729385|6.871696|12.430420|0.225518|0.181382|17.635470|8.751472|3.964190|7.486082|4.336698|2.748116|2.734403|2.311840|2.267096|1.960405|1.770569|1.794191|2.019927|2.888021|1.467978|3.374128|1.671317|0.076133|0.078590|0.063831|0.062550|0.063843|0.057561|0.052065|0.057455|0.077374|0.090741|0.095579|0.176561|0.215887|0.127542|0.133142|0.202863|0.141827|0.500000| |2.344692|2.193990|4.381304|2.292637|1.970055|1.839990|1.935936|2.240677|2.493072|3.060286|5.654209|4.731085|3.234512|3.981046|0.101471|5.464723|4.624846|4.912750|5.561229|12.370019|0.222537|0.225777|17.624437|8.764807|3.794093|7.020558|4.365399|2.826604|2.973021|2.496855|2.419925|2.080154|1.884166|1.922676|2.180970|3.090125|1.561359|3.542583|1.747572|0.070097|0.069379|0.058701|0.056821|0.056406|0.051365|0.046360|0.050073|0.064155|0.079140|0.082339|0.125825|0.131501|0.107769|0.129869|0.141124|0.126513|0.301495|0.500000| |2.607622|2.486604|5.088098|2.655504|2.260945|2.095976|2.200268|2.561726|2.884186|3.497238|5.995353|5.781810|4.425024|6.671342|0.173801|8.770410|5.443624|6.880672|5.678212|9.345177|0.143481|0.203437|8.884584|17.498312|6.287831|10.216757|7.011465|4.090161|4.234584|3.220382|2.940805|2.428330|2.209011|2.324887|2.762228|3.701280|1.818338|3.977608|1.924156|0.080731|0.074304|0.064253|0.065718|0.062081|0.058666|0.052422|0.056349|0.072517|0.106380|0.108878|0.143449|0.132315|0.140367|0.205806|0.131124|0.128493|0.173036|0.215316|0.500000| |2.370680|2.328777|4.845657|2.631579|2.243543|2.131259|2.305411|2.735939|2.991499|3.721145|6.322896|6.524076|4.756212|6.547380|0.145725|8.775490|6.884135|5.526354|4.847890|7.602629|0.126953|0.143030|8.992899|17.641243|7.034894|14.493783|6.882656|4.207390|4.215228|3.293447|3.177508|2.594780|2.284215|2.330566|2.724832|3.643328|1.806861|4.355123|2.078459|0.070971|0.068392|0.058472|0.061062|0.059362|0.057220|0.053087|0.059701|0.080363|0.107061|0.123698|0.213951|0.160372|0.122691|0.141324|0.126456|0.107378|0.213693|0.212529|0.303925|0.500000| |2.424065|2.502362|5.147866|2.866329|2.563465|2.448225|2.572299|2.884957|3.073343|3.264405|5.046717|5.432727|5.469693|7.494408|0.242594|4.895113|3.906345|4.155095|3.166468|4.141601|0.072821|0.086883|3.285341|4.424983|9.429739|10.874181|26.091217|8.999925|6.256959|4.366382|3.578413|2.901463|2.728075|3.040423|3.850827|4.835363|2.279206|4.492889|2.157620|0.074624|0.064930|0.060401|0.070240|0.061964|0.066244|0.061795|0.066577|0.080491|0.145212|0.148578|0.107314|0.089842|0.109940|0.124896|0.080203|0.079838|0.082815|0.083759|0.134617|0.121409|0.500000| |1.885445|1.956280|3.915129|2.240072|2.083358|2.065397|2.196697|2.386843|2.411256|2.500215|3.950521|4.034208|3.717052|4.281746|0.120137|3.313799|2.937972|2.834003|2.356611|3.187953|0.058092|0.066314|2.581129|3.243676|5.827901|8.995209|12.573026|17.598517|8.816275|6.915398|5.170726|4.058714|3.837918|4.426650|6.009430|6.662961|3.000461|5.903840|2.759024|0.056482|0.050910|0.048060|0.055075|0.049862|0.054199|0.053422|0.058959|0.068240|0.098108|0.111644|0.085418|0.070184|0.075538|0.082146|0.061618|0.060194|0.066949|0.068564|0.095782|0.095456|0.229594|0.500000| |1.866987|1.939822|3.944843|2.282909|2.093165|2.096338|2.290653|2.550456|2.543203|2.710647|4.271731|4.535039|4.109454|4.684184|0.118967|3.692849|3.402762|2.963122|2.487665|3.403992|0.062005|0.069226|2.878248|3.683855|7.312579|13.359686|12.541025|17.645585|8.828632|6.885213|6.183183|4.485717|3.820921|3.983052|5.031162|5.770848|2.710760|6.810700|3.043587|0.055321|0.051244|0.047267|0.053630|0.049874|0.053634|0.053695|0.061848|0.075261|0.101557|0.130234|0.104495|0.079881|0.077885|0.082739|0.066202|0.062119|0.075973|0.076212|0.103969|0.115555|0.182584|0.302765|0.500000| |1.834647|1.838650|3.676529|2.046497|1.850974|1.804533|1.926027|2.151879|2.231471|2.465502|4.050915|4.042304|3.405558|4.327361|0.113454|3.853856|3.289936|3.126709|2.699574|3.947822|0.071390|0.082726|3.446576|4.466507|6.195147|11.455278|9.515131|8.898999|17.567427|8.891148|7.142314|4.728311|3.976086|4.229776|5.700215|6.016569|2.774794|6.978569|3.065332|0.055060|0.050865|0.046661|0.050364|0.047079|0.048159|0.046293|0.051312|0.062462|0.084216|0.097587|0.099197|0.079476|0.077857|0.090387|0.069885|0.067217|0.086525|0.096114|0.137518|0.143790|0.154081|0.173996|0.213602|0.500000| |1.855826|1.855487|3.658037|2.017481|1.845338|1.785034|1.869151|2.051375|2.142537|2.307064|3.779849|3.680778|3.175978|4.016527|0.114911|3.441147|2.870490|2.987358|2.543248|3.636148|0.065832|0.078258|2.979584|3.758672|5.226896|8.351941|9.553024|8.861037|17.541607|8.893303|5.665856|4.217111|3.977377|4.749428|7.215633|7.022493|3.078031|5.991540|2.766682|0.056336|0.050641|0.047512|0.051627|0.047130|0.048601|0.046120|0.049610|0.058274|0.082307|0.089012|0.082587|0.070055|0.075739|0.090037|0.064739|0.065018|0.074071|0.082337|0.120906|0.110086|0.179953|0.211378|0.173782|0.302334|0.500000| |1.526312|1.549806|3.068741|1.748041|1.616206|1.615159|1.744610|1.915695|1.917509|2.071459|3.424307|3.312963|2.696054|3.046733|0.078621|2.789411|2.626301|2.326131|2.093464|3.018328|0.056584|0.061711|2.599941|3.074588|4.007644|8.145734|5.768765|5.664954|6.974907|8.849173|17.730491|8.971564|5.641165|4.953946|5.629121|6.528950|3.138108|13.548346|4.883715|0.044847|0.042476|0.039240|0.042490|0.040444|0.042029|0.041951|0.047590|0.056583|0.067556|0.080785|0.081437|0.065344|0.059943|0.065040|0.056133|0.052812|0.069048|0.073121|0.087400|0.099365|0.099026|0.132357|0.180637|0.211122|0.142568|0.500000| |1.204716|1.223350|2.347902|1.336058|1.274771|1.280957|1.350627|1.425271|1.416058|1.470440|2.457998|2.231840|1.799888|1.946426|0.053118|1.790003|1.693182|1.610076|1.478410|2.093609|0.040127|0.043493|1.690171|1.890614|2.292049|4.198258|3.452003|3.134980|3.547532|4.938940|5.627918|8.890593|17.819278|8.893764|5.628854|12.607303|7.529962|12.610184|7.533524|0.035212|0.033120|0.031616|0.034110|0.032192|0.033838|0.034076|0.037274|0.041135|0.047641|0.052823|0.049975|0.043464|0.042666|0.045847|0.039601|0.038654|0.045009|0.047674|0.054701|0.056567|0.065993|0.089047|0.088701|0.090597|0.090621|0.124305|0.500000| |1.550586|1.564762|3.020102|1.688152|1.589781|1.561994|1.623975|1.731238|1.767364|1.841447|3.033853|2.838262|2.400884|2.762683|0.079138|2.415794|2.141415|2.186294|1.924506|2.706880|0.050474|0.057702|2.154774|2.536814|3.330572|5.580550|5.680049|5.463542|6.960786|8.846531|5.627835|4.955396|5.644239|8.976656|17.729625|13.563234|4.886991|6.530367|3.139159|0.046423|0.042034|0.040370|0.044078|0.040266|0.042326|0.041115|0.043820|0.049026|0.064298|0.068727|0.061567|0.053629|0.057401|0.064757|0.049993|0.050358|0.055311|0.059924|0.077447|0.073739|0.113654|0.169769|0.127334|0.143821|0.215350|0.123325|0.124361|0.500000| |1.161403|1.183036|2.248569|1.279514|1.235214|1.241722|1.294669|1.347052|1.337656|1.366954|2.280404|2.047123|1.662158|1.777573|0.049474|1.618008|1.524594|1.486437|1.360054|1.899699|0.036444|0.039664|1.500733|1.673035|2.038618|3.618553|3.123154|2.755778|2.969390|3.786092|3.737531|4.578514|6.739922|7.010447|4.758322|16.430495|17.566714|6.885124|4.057346|0.033960|0.031662|0.030668|0.033306|0.031127|0.033051|0.033310|0.035772|0.038438|0.044883|0.048454|0.044257|0.039231|0.039857|0.042647|0.036323|0.035954|0.039888|0.041960|0.048650|0.048969|0.061726|0.082413|0.075609|0.073800|0.079799|0.086733|0.226148|0.120036|0.500000| |1.144066|1.154035|2.187435|1.233634|1.183262|1.180207|1.227020|1.284431|1.287487|1.328939|2.235038|1.988576|1.599206|1.736134|0.048378|1.606565|1.501298|1.481615|1.367635|1.935253|0.037238|0.040648|1.530232|1.691735|1.983073|3.532653|3.008293|2.618447|2.967210|3.790650|3.741049|4.581234|6.740029|7.015495|4.764125|16.431432|17.567197|6.888401|4.056588|0.033542|0.031297|0.030249|0.032365|0.030333|0.031721|0.031564|0.033715|0.036609|0.042966|0.046109|0.043512|0.038837|0.039377|0.042717|0.036379|0.036209|0.040440|0.043293|0.049611|0.049488|0.059398|0.076010|0.070860|0.075237|0.081269|0.086823|0.225937|0.120270|0.298685|0.500000| |1.154926|1.168625|2.204413|1.243537|1.200877|1.197400|1.236363|1.284118|1.287217|1.315082|2.203580|1.956189|1.585889|1.711629|0.048309|1.566056|1.458170|1.460159|1.339252|1.874126|0.035989|0.039471|1.463541|1.623191|1.931284|3.373808|2.972304|2.555553|2.798341|3.416037|3.188571|3.623385|4.914533|5.881104|4.428475|17.003455|17.652709|5.463072|3.121239|0.033910|0.031385|0.030625|0.033011|0.030667|0.032341|0.032163|0.033961|0.036340|0.043139|0.045593|0.041869|0.037664|0.039118|0.042322|0.035531|0.035666|0.038615|0.041050|0.047736|0.046908|0.059884|0.076606|0.068037|0.069503|0.078500|0.075175|0.146837|0.121996|0.300111|0.300103|0.500000| |1.134153|1.147845|2.204319|1.255240|1.193366|1.201593|1.274532|1.351567|1.339729|1.404504|2.371649|2.126193|1.674464|1.797196|0.048240|1.698799|1.636176|1.520646|1.421594|2.034750|0.039388|0.041903|1.660952|1.819802|2.095975|3.960051|3.019289|2.637681|2.966135|3.788269|4.760235|7.009663|6.740056|4.581168|3.740006|6.887813|4.058710|16.430642|17.566378|0.032941|0.031461|0.029772|0.031733|0.030397|0.031592|0.031919|0.035277|0.039331|0.043850|0.049134|0.048820|0.042483|0.040122|0.042772|0.038448|0.037038|0.044760|0.047353|0.051829|0.055125|0.057035|0.071647|0.076840|0.081130|0.074887|0.120079|0.226228|0.086822|0.117608|0.127866|0.092516|0.500000| 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