Version2.2 2021-02-04T13:19:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc2cc(NC(=O)C1CC1)c(Cl)cc2C(=O)N[C@H]5CCN(C3C4CCCC3CCC4)C5 152035 CHEMBL94050 RHF 6-31G(d) (6D,7F) COc2cc(NC(=O)C1CC1)c(Cl)cc2C(=O)N[C@H]5CCN(C3C4CCCC3CCC4)C5 C01[X(C25H34Cl1N3O3)] 192 C1 552 COc1cc(NC(=O)C2CC2)c(cc1C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2)Cl COc1cc(NC(=O)C2CC2)c(cc1C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2)Cl COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]3CCN(C3)C4C5CCCC4CCC5 InChIKey=QRFPXARGJKLHNN-XDHZZZRXSA-N InChI=1S/C25H34ClN3O3/c1-32-22-13-21(28-24(30)17-8-9-17)20(26)12-19(22)25(31)27-18-10-11-29(14-18)23-15-4-2-5-16(23)7-3-6-15/h12-13,15-18,23H,2-11,14H2,1H3,(H,27,31)(H,28,30)/t15?,16?,18-,23?/m0/s1 InChI=1/C25H34ClN3O3/c1-32-22-13-21(28-24(30)17-8-9-17)20(26)12-19(22)25(31)27-18-10-11-29(14-18)23-15-4-2-5-16(23)7-3-6-15/h12-13,15-18,23H,2-11,14H2,1H3,(H,27,31)(H,28,30)/t15?,16?,18-,23?/m0/s1/f/h27-28H COc2cc(NC(=O)C1CC1)c(Cl)cc2C(=O)N[C@H]5CCN(C3C4CCCC3CCC4)C5 C01[X(C25H34Cl1N3O3)] 192 C01 552 COc1cc(NC(=O)C2CC2)c(cc1C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2)Cl CO[C]1[CH][C]([C]([CH][C]1C(=O)N[C@H]1CC[N@](C1)[C@@H]1[C@@H]2CCC[C@H]1CCC2)Cl)NC(=O)C1CC1 CO[C]1[CH][C](NC(=O)C2CC2)[C](Cl)[CH][C]1C(=O)N[C@H]3CCN(C3)C4C5CCCC4CCC5 InChIKey=QRFPXARGJKLHNN-FIEAQMJYSA-N InChI=1S/C25H34ClN3O3/c1-32-22-13-21(28-24(30)17-8-9-17)20(26)12-19(22)25(31)27-18-10-11-29(14-18)23-15-4-2-5-16(23)7-3-6-15/h12-13,15-18,23H,2-11,14H2,1H3,(H,27,31)(H,28,30)/t15-,16+,18-,23-/m0/s1 InChI=1/C25H34ClN3O3/c1-32-22-13-21(28-24(30)17-8-9-17)20(26)12-19(22)25(31)27-18-10-11-29(14-18)23-15-4-2-5-16(23)7-3-6-15/h12-13,15-18,23H,2-11,14H2,1H3,(H,27,31)(H,28,30)/t15-,16+,18-,23-/m0/s1/f/h27-28H 3317.1160426642 -1813.9155595 1-A 28745.3201 123 429 552 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1313.03 1328.86 1342.72 1387.22 1399.52 1404.64 1428.87 1445.32 1463.94 1468.48 1484.32 1507.23 1514.75 1518.10 1547.21 1563.55 1576.90 1586.93 1630.44 1632.77 1672.57 1688.31 1707.29 1714.28 1720.73 1724.63 1735.61 1766.63 1767.40 1779.37 1786.10 1791.01 1801.35 1807.64 1809.22 1818.98 1859.49 1862.23 1869.56 1878.58 1906.89 1909.02 1914.50 1933.99 1939.27 1957.91 1971.53 1974.93 1999.09 2020.38 2022.77 2034.36 2043.20 2070.94 2076.14 2084.55 2095.19 2109.62 2124.68 2145.58 2161.88 2165.30 2180.24 2192.05 2197.48 2203.44 2212.83 2216.36 2231.34 2237.24 2248.56 2258.45 2268.45 2306.83 2343.23 2346.58 2356.48 2361.30 2368.62 2369.92 2376.13 2380.34 2381.04 2384.52 2398.14 2399.07 2418.67 2425.84 2439.08 2470.73 2575.17 2602.27 2816.58 2823.52 4415.59 4428.04 4517.54 4577.68 4579.09 4594.96 4600.55 4622.99 4626.56 4629.57 4632.35 4633.61 4637.88 4643.94 4646.32 4659.97 4670.05 4691.15 4693.12 4728.22 4732.54 4734.47 4736.35 4778.94 4783.69 4791.04 4806.41 4812.38 4891.53 4910.08 4929.42 5033.16 5559.27 5603.74 0.610807 0.639470 0.640414 0.545990 -1813.304753 -1813.276090 -1813.275146 -1813.369569 3.166963D-04 MUNgauss RevisionA2.1 retrievium 04-Feb-2021 DUDE COc2cc(NC(=O)C1CC1)c(Cl)cc2C(=O)N[C@H]5CCN(C3C4CCCC3CCC4)C5 152035 CHEMBL94050 RHF 6-31G(d) (6D,10F) C1 459.228870 |X|Y|Z| 50.270110 29.210120 159.263935 61.610331 27 6 7 24 3 |36.858105| |13.570608|73.516695| |8.006792|25.360149|36.858105| |6.789694|14.172954|13.756878|36.858105| |4.535435|9.266289|7.880593|13.655448|36.858105| |3.731439|7.001324|5.135708|7.779009|13.644435|53.358707| |3.670573|6.403541|4.331468|6.317154|7.629130|18.952528|36.858105| |4.298142|7.029448|4.537331|6.644781|6.505294|11.411068|15.873985|73.516695| |2.863063|4.995065|3.253649|4.250813|5.068149|10.816104|12.763171|14.361929|36.858105| |2.608759|4.438218|2.777396|3.473428|3.831094|7.019120|7.434618|11.618516|12.634807|36.858105| |2.621297|4.443700|2.782359|3.480340|3.833164|7.021316|7.435794|11.615709|12.634566|12.854837|36.858105| |3.812434|8.262989|6.890212|7.963278|13.693270|10.794448|5.127744|7.878014|4.000598|3.144638|3.141939|36.858105| |2.831947|5.789724|4.217745|4.733315|6.943752|8.679145|4.408664|6.465063|3.902463|3.057360|3.049932|10.869927|448.794386| |3.998377|9.454426|7.982379|6.909514|7.907563|7.058136|3.888777|6.420524|3.139640|2.602511|2.601568|13.784607|56.697914|36.858105| |5.242550|14.551567|13.606428|7.879530|6.779462|6.165468|3.663708|6.435912|2.907352|2.476879|2.479094|7.909350|38.239457|13.809377|36.858105| |4.552963|12.131623|7.506838|5.004769|4.415721|4.541735|2.848952|5.075040|2.365366|2.075336|2.080105|5.038099|29.503623|7.622615|12.651481|36.858105| |4.547129|11.518184|6.229413|4.358733|3.778173|4.042122|2.610510|4.720641|2.190975|1.938408|1.969329|4.101237|25.186437|5.537719|8.016697|15.911453|73.516695| |3.643885|8.810899|5.356446|4.031092|3.773908|4.046266|2.550456|4.487284|2.170946|1.929936|1.905811|4.431631|28.078358|6.426423|7.915778|14.011654|15.055989|53.358707| |3.075592|6.952862|3.934070|3.126893|2.937513|3.302408|2.140841|3.792844|1.864421|1.685577|1.667609|3.329593|22.560895|4.362649|5.041113|7.762847|12.141516|17.920194|36.858105| |2.988847|6.678164|3.739976|2.985751|2.802023|3.170247|2.064395|3.662398|1.804456|1.627166|1.628472|3.158548|21.571840|4.095859|4.727725|7.396312|13.643582|12.696436|17.663469|0.500000| |3.074774|6.711386|3.555961|2.863034|2.621227|3.005188|1.997684|3.600399|1.745400|1.605821|1.577230|2.836604|19.293635|3.506976|4.138901|5.728826|9.692108|10.265747|12.391038|0.245497|36.858105| |2.467523|5.148837|2.789774|2.354781|2.215548|2.608892|1.747377|3.126561|1.556584|1.444480|1.415503|2.404073|17.076628|2.873382|3.188669|4.052066|6.940400|7.027538|7.833768|0.179823|12.363157|36.858105| |2.275752|4.769339|2.678333|2.288653|2.208648|2.606207|1.725837|3.046518|1.548270|1.425808|1.403037|2.458661|17.886961|2.962663|3.157959|3.992107|6.743941|7.146222|8.200051|0.196963|7.946131|13.010367|53.358707| |1.962107|4.013896|2.273855|2.000504|1.960765|2.359868|1.572645|2.762619|1.430600|1.327006|1.300591|2.174338|16.312932|2.539436|2.623828|3.122706|5.260484|5.326804|5.155938|0.129434|5.131486|7.746460|17.796407|36.858105| |1.807468|3.682050|2.126522|1.899555|1.897792|2.302795|1.526897|2.655864|1.401442|1.294155|1.274052|2.132456|16.453240|2.469374|2.471610|2.874733|4.846221|4.786063|4.337405|0.114671|3.923801|4.974200|10.385086|12.366654|36.858105| |1.605135|3.213740|1.855965|1.689659|1.699082|2.095456|1.400935|2.433107|1.300126|1.210447|1.186462|1.889475|14.848864|2.130936|2.111362|2.372751|4.000005|3.833977|3.280031|0.086423|3.105051|3.838936|6.789309|7.598354|12.361555|36.858105| |1.501202|2.968132|1.688513|1.540498|1.533660|1.903051|1.286490|2.250411|1.196822|1.122941|1.100874|1.677351|13.079752|1.873648|1.885098|2.115729|3.627503|3.343357|2.869770|0.076536|2.857575|3.608727|5.891922|6.374146|7.349418|12.413262|36.858105| |1.592601|3.148359|1.765241|1.595172|1.566712|1.933366|1.312295|2.313311|1.212878|1.141385|1.116890|1.698130|12.993999|1.907913|1.958151|2.227115|3.838693|3.535627|3.113730|0.082098|3.275602|4.415962|6.802818|7.593657|6.457036|7.476211|12.413849|36.858105| |1.789973|3.586877|1.996143|1.771169|1.722388|2.097320|1.416690|2.505779|1.296345|1.212692|1.191003|1.873652|14.078940|2.146354|2.240372|2.631795|4.573675|4.252014|3.981522|0.105325|4.275131|6.418103|10.435266|12.362033|7.679354|6.463818|7.356101|12.366214|36.858105| |1.739964|3.474387|1.925345|1.706358|1.656088|2.018876|1.366318|2.419575|1.251685|1.167973|1.156946|1.798106|13.514457|2.059770|2.157268|2.556004|4.576816|4.003412|3.755704|0.106272|3.895831|5.312292|8.677187|7.530310|6.453920|5.231704|5.855365|7.330039|12.374259|36.858105| |1.654590|3.308309|1.863752|1.665724|1.638740|2.005205|1.350130|2.372509|1.243486|1.154680|1.148781|1.798517|13.748742|2.054988|2.108338|2.470481|4.412788|3.839788|3.495045|0.101281|3.352743|4.176167|7.336193|6.340407|7.363746|5.856525|6.012173|5.851194|7.360000|12.399806|36.858105| |1.756474|3.563353|2.045475|1.824182|1.815729|2.206651|1.467797|2.558445|1.348805|1.242712|1.235246|2.031510|15.652405|2.350748|2.368659|2.784507|4.859030|4.455260|4.059764|0.116223|3.616250|4.380829|8.644095|7.527702|12.375276|7.330658|5.850367|5.225183|6.449140|7.443043|12.399909|36.858105| |2.517372|5.442477|3.163987|2.664433|2.601906|3.007978|1.951928|3.412833|1.734656|1.576962|1.551154|2.990455|21.512781|3.756339|3.941072|5.122459|8.053768|10.499540|12.503951|0.247981|7.957348|8.165495|17.902085|7.724658|6.396698|4.386743|3.596946|3.831190|4.989322|4.424222|4.214488|5.354708|36.858105| |17.583356|16.439805|7.091576|6.798489|4.620555|5.312903|3.927591|8.350898|3.040132|2.737825|2.833534|3.783282|22.809862|3.835183|4.797057|4.094514|7.442014|4.444980|2.781101|0.076550|2.719232|2.229434|2.850198|1.820928|1.701142|1.516047|1.417509|1.491549|1.667526|1.636249|1.572294|1.668954|2.313535|0.500000| |17.574650|16.420191|6.956376|6.772279|4.591078|5.307956|3.959248|8.531376|3.056385|2.839385|2.778026|3.742950|22.620064|3.778857|4.701161|3.987958|6.784644|4.578095|2.845062|0.075362|2.874650|2.349052|2.944823|1.891214|1.741204|1.562218|1.462562|1.550709|1.725606|1.659703|1.576092|1.673961|2.388554|0.298909|0.500000| |17.658694|17.024805|5.899333|4.942098|3.632408|4.193796|3.048622|6.225582|2.473705|2.297500|2.307734|3.201254|19.867921|3.425866|4.420066|4.206099|7.819107|4.694391|3.034994|0.082644|3.142311|2.519843|3.106256|1.962237|1.790253|1.589720|1.500977|1.606208|1.813142|1.770499|1.667151|1.748441|2.470242|0.299776|0.299682|0.500000| |7.590225|12.702741|8.912172|17.884337|8.993621|9.737586|7.042201|15.697622|4.546839|3.817573|3.828449|5.685514|31.462423|4.984176|5.622678|4.077406|6.627281|4.605241|2.742197|0.073181|2.588418|2.157794|2.824791|1.831974|1.734793|1.558205|1.435079|1.490398|1.644787|1.587491|1.543256|1.670662|2.361486|0.225281|0.230517|0.147655|0.500000| |3.154725|5.987709|4.287955|5.770706|9.403538|26.101205|9.470248|10.875833|7.774795|4.968264|4.968255|7.590854|62.510068|4.900701|4.060270|3.089156|4.886424|3.839458|2.325371|0.062089|2.097628|1.846596|2.541940|1.706896|1.684286|1.540498|1.392531|1.403366|1.513342|1.456510|1.457673|1.612490|2.159871|0.090904|0.090561|0.074413|0.145458|0.500000| |2.593570|4.642836|3.054994|3.872742|4.847129|10.189452|8.669360|10.337544|17.708754|8.598766|8.599586|4.088297|34.816684|3.159448|2.832616|2.316655|3.793475|2.928446|1.849615|0.049728|1.714859|1.540267|2.105828|1.436969|1.419457|1.320250|1.209518|1.217902|1.297294|1.252120|1.251551|1.364784|1.740858|0.075697|0.075793|0.062889|0.109366|0.245271|0.500000| |2.300225|3.961820|2.467418|2.995974|3.331722|5.894531|5.523722|8.606151|8.613564|17.720078|8.616151|2.854072|23.119730|2.388013|2.251427|1.913208|3.173483|2.455403|1.588139|0.042523|1.514153|1.375123|1.854556|1.277949|1.251301|1.177984|1.093208|1.107219|1.169381|1.124140|1.113784|1.198835|1.502522|0.066265|0.069129|0.057044|0.089038|0.121862|0.213104|0.500000| |2.803890|4.669116|2.873575|3.595843|3.786111|6.603827|7.067759|12.848174|8.634555|17.741689|8.667198|3.060137|23.013162|2.579619|2.511057|2.108632|3.503796|2.665522|1.711632|0.045724|1.648129|1.476809|1.966378|1.341382|1.298105|1.213342|1.129612|1.154673|1.228661|1.180329|1.159727|1.243569|1.591963|0.081153|0.086823|0.068465|0.113457|0.123508|0.171907|0.291377|0.500000| |2.830164|4.679876|2.882842|3.608784|3.789542|6.607073|7.069676|12.842073|8.634678|8.667011|17.741899|3.056033|22.931411|2.578125|2.514963|2.117058|3.602347|2.608857|1.680497|0.045787|1.597398|1.426092|1.913304|1.296642|1.264668|1.173689|1.092747|1.113150|1.191600|1.161465|1.149777|1.231125|1.548260|0.086839|0.083138|0.069056|0.114081|0.123511|0.171925|0.171236|0.213202|0.500000| |2.314897|3.968509|2.473381|3.003580|3.334116|5.896914|5.524706|8.604388|8.613730|8.615928|17.720535|2.850706|23.035678|2.386821|2.254295|1.919598|3.247283|2.410263|1.562819|0.042575|1.473973|1.333318|1.809199|1.238535|1.220844|1.141083|1.059217|1.069934|1.136840|1.107573|1.104835|1.187513|1.465092|0.069302|0.067198|0.057390|0.089344|0.121866|0.213139|0.210082|0.171236|0.291387|0.500000| |3.332841|7.610700|5.661980|4.973417|5.648887|5.735493|3.276063|5.388611|2.770190|2.332727|2.331507|8.986449|54.699255|17.746641|8.957473|7.081918|9.316535|9.321177|4.716999|0.123142|3.594547|3.013812|4.395497|2.771890|2.754219|2.347046|2.025221|2.037495|2.296438|2.203854|2.232234|2.614623|4.248463|0.088959|0.087676|0.082232|0.108096|0.116183|0.078862|0.060457|0.063778|0.063725|0.060412|0.500000| |3.548332|8.407679|5.305941|4.149988|3.978544|4.263025|2.663053|4.646332|2.265870|2.017098|1.963849|4.739059|30.120436|6.753344|7.605088|9.437455|10.936696|26.045369|9.061516|0.181019|6.502974|4.813591|6.618363|3.828491|3.442230|2.826534|2.446801|2.576363|3.025815|2.767780|2.652305|3.086930|7.092274|0.087687|0.094159|0.091841|0.096239|0.082893|0.062594|0.052555|0.056949|0.054421|0.050521|0.198981|0.500000| |3.234097|6.973184|3.531418|2.822164|2.533158|2.914691|1.959521|3.570409|1.708537|1.576108|1.558810|2.683978|18.123797|3.272188|3.960660|5.499959|10.319900|8.464397|8.729845|0.224726|17.602183|8.655201|8.225059|4.234485|3.380384|2.737211|2.581096|2.954357|3.803668|3.663398|3.145355|3.270150|5.786244|0.079334|0.082271|0.094526|0.071811|0.056119|0.046332|0.041117|0.045056|0.044190|0.040446|0.091169|0.145164|0.500000| |3.316814|7.260003|3.815083|3.066728|2.776113|3.171717|2.113461|3.828482|1.834417|1.695093|1.647956|2.964900|19.895147|3.626936|4.330847|5.631044|8.959469|9.961855|8.808796|0.176585|17.557491|8.755169|8.262272|4.456894|3.482272|2.874994|2.652089|3.024994|3.750683|3.321207|2.896044|3.124702|6.484060|0.079612|0.087925|0.093676|0.077193|0.061072|0.049835|0.044340|0.048658|0.046315|0.042520|0.100662|0.197079|0.303128|0.500000| |2.323077|4.746302|2.530827|2.155365|2.018726|2.401321|1.624869|2.922243|1.454743|1.356823|1.335226|2.162002|15.446455|2.541903|2.825297|3.537566|6.330111|5.722626|5.953217|0.154373|8.700190|17.603321|12.330821|6.579785|4.471154|3.567336|3.534039|4.464209|6.686908|5.998433|4.356200|4.212713|5.896325|0.058713|0.061154|0.066877|0.055523|0.047179|0.039892|0.035894|0.038560|0.037503|0.035025|0.073369|0.107584|0.223497|0.181841|0.500000| |2.368456|4.869450|2.648255|2.272941|2.147851|2.552158|1.717839|3.074153|1.536783|1.436387|1.395677|2.314333|16.578023|2.715387|2.972937|3.600929|6.017590|6.178165|6.020072|0.136504|8.755582|17.445596|12.235534|7.340880|4.666245|3.849330|3.676169|4.629188|6.243639|4.699706|3.722422|3.886297|6.639221|0.059178|0.063771|0.066994|0.058249|0.050250|0.042239|0.038124|0.040918|0.038939|0.036486|0.078519|0.125403|0.180982|0.229725|0.302390|0.500000| |1.959063|3.993652|2.272555|2.015160|1.982090|2.393851|1.596441|2.801130|1.454267|1.354204|1.316924|2.193259|16.514919|2.538151|2.604199|3.024224|4.981765|5.197484|4.750864|0.114132|4.875811|7.015633|12.414968|17.357090|8.865344|7.217584|6.035697|7.213197|8.861710|5.494347|4.751887|5.493909|6.911752|0.050236|0.053063|0.054188|0.051337|0.048143|0.040597|0.036323|0.038104|0.036353|0.034775|0.076516|0.108386|0.109764|0.126077|0.158631|0.219211|0.500000| |1.884009|3.874989|2.278503|2.038216|2.061413|2.489240|1.632995|2.819153|1.496720|1.372843|1.350445|2.357967|18.370654|2.753967|2.697680|3.113109|5.125991|5.291133|4.632291|0.120147|3.929338|4.638875|9.523816|8.827003|17.546879|9.023851|5.485108|4.861498|5.549855|4.843390|5.466500|8.944459|7.242043|0.049321|0.050476|0.051290|0.051220|0.050842|0.042316|0.036880|0.038121|0.037097|0.035937|0.087302|0.107300|0.092671|0.098448|0.111570|0.121345|0.212643|0.500000| |1.624660|3.252249|1.887855|1.727342|1.744390|2.155387|1.439304|2.494323|1.337010|1.247151|1.214802|1.941893|15.327255|2.178833|2.144350|2.377026|3.944022|3.874670|3.237254|0.083039|3.086868|3.764188|6.409000|6.917979|8.914311|17.501089|8.875735|6.531950|5.572756|4.307962|4.485080|5.450652|4.340348|0.042471|0.044250|0.044508|0.044226|0.044090|0.037764|0.033792|0.034757|0.033276|0.032407|0.066572|0.081290|0.074594|0.081519|0.094695|0.109116|0.217171|0.226109|0.500000| |1.520157|3.031560|1.762920|1.618881|1.641968|2.038086|1.361702|2.354238|1.271335|1.181936|1.161934|1.831690|14.620197|2.048172|2.003522|2.223632|3.760927|3.531692|2.945891|0.079042|2.731958|3.232923|5.591913|5.514127|8.809382|17.524294|8.815926|5.484286|4.876505|4.396730|5.320050|6.795738|3.817412|0.040173|0.041082|0.041668|0.041491|0.041863|0.036017|0.032031|0.032770|0.031860|0.031168|0.062985|0.072174|0.067957|0.070565|0.084317|0.088796|0.144740|0.215596|0.304280|0.500000| |1.412683|2.772408|1.579911|1.454789|1.453615|1.817518|1.233374|2.155328|1.153660|1.087266|1.062608|1.582736|12.439385|1.747778|1.748878|1.932044|3.300026|3.024572|2.531704|0.067159|2.535638|3.114356|4.874186|4.922749|5.448481|8.849236|17.526369|8.847252|5.450873|4.456662|4.513225|4.454702|3.100179|0.037105|0.038458|0.039176|0.037803|0.037032|0.032427|0.029507|0.030377|0.029237|0.028444|0.052215|0.062184|0.063972|0.066721|0.084479|0.090112|0.139567|0.125027|0.223408|0.206706|0.500000| |1.438062|2.832435|1.608230|1.469558|1.462608|1.819600|1.232780|2.157516|1.149410|1.078044|1.061833|1.596179|12.473607|1.778340|1.790259|2.010566|3.490643|3.127378|2.679153|0.073158|2.646469|3.271627|5.311498|5.298323|6.340945|8.816035|17.604596|8.816485|6.346102|6.063631|6.940829|6.057223|3.269782|0.037922|0.038760|0.040022|0.038109|0.037006|0.032271|0.029145|0.030074|0.029322|0.028449|0.053344|0.062805|0.067700|0.067582|0.091229|0.089975|0.132021|0.134374|0.174996|0.220468|0.306162|0.500000| |1.610067|3.176273|1.781501|1.615181|1.586275|1.960738|1.332807|2.350744|1.232012|1.163370|1.131905|1.714062|13.107082|1.917111|1.966478|2.213905|3.770746|3.533387|3.058386|0.078729|3.277801|4.390324|6.422077|6.914157|5.568333|6.531199|8.874547|17.500846|8.914296|5.449710|4.482384|4.304232|3.744902|0.041687|0.043870|0.045039|0.041987|0.039509|0.034340|0.031394|0.032770|0.031287|0.030064|0.056581|0.072822|0.081088|0.086591|0.119519|0.136652|0.217000|0.125542|0.184159|0.135287|0.223319|0.174986|0.500000| |1.502433|2.940956|1.637233|1.485479|1.453759|1.803527|1.232242|2.179537|1.142204|1.079290|1.057827|1.562072|11.949113|1.741517|1.795303|2.030910|3.542509|3.158671|2.749173|0.073658|2.931772|3.837970|5.604804|5.511350|4.872614|5.484318|8.816165|17.524593|8.808234|6.791747|5.313781|4.391536|3.232342|0.039196|0.040631|0.042319|0.038803|0.036316|0.031796|0.029097|0.030359|0.029344|0.028187|0.051232|0.063585|0.075493|0.075507|0.112547|0.110714|0.144665|0.107364|0.135298|0.123886|0.206637|0.220489|0.304271|0.500000| |1.851141|3.692190|2.025336|1.789710|1.721359|2.094112|1.422515|2.532892|1.297363|1.218819|1.194202|1.852027|13.751947|2.117147|2.244909|2.642082|4.613147|4.236401|3.966049|0.103500|4.611824|7.333968|9.606803|8.831003|5.551637|4.863469|5.484929|9.015448|17.549995|8.952256|5.467735|4.843819|4.658210|0.047558|0.049657|0.052537|0.046411|0.041724|0.035883|0.032587|0.034466|0.033284|0.031568|0.062014|0.083879|0.115327|0.113495|0.232637|0.210387|0.212492|0.123839|0.125559|0.107405|0.124967|0.134405|0.225736|0.215345|0.500000| |1.884128|3.786064|2.076428|1.817111|1.746005|2.112015|1.428523|2.540572|1.299996|1.209873|1.201996|1.891195|14.005724|2.188649|2.331549|2.828127|5.160852|4.406965|4.286080|0.125139|4.534728|6.188649|9.665285|6.824115|5.558384|4.305420|4.484534|5.451897|8.916612|17.561958|8.886499|6.498444|4.786577|0.049080|0.049487|0.053588|0.046886|0.042093|0.035992|0.032207|0.034024|0.033646|0.031882|0.064716|0.082659|0.121727|0.103030|0.209876|0.140362|0.140297|0.124724|0.103118|0.103238|0.100223|0.126055|0.124642|0.141836|0.223606|0.500000| |1.621370|3.195386|1.759743|1.572024|1.522782|1.870810|1.275598|2.265597|1.173667|1.101054|1.090894|1.637289|12.342816|1.852480|1.941872|2.265948|4.085888|3.472110|3.152438|0.089288|3.340786|4.368489|6.503640|5.488722|4.878292|4.408073|5.340147|6.812640|8.817380|17.513960|8.817767|5.474776|3.559029|0.042471|0.043078|0.046061|0.040947|0.037475|0.032563|0.029480|0.030943|0.030458|0.029055|0.054523|0.067140|0.089601|0.081134|0.140689|0.111788|0.123490|0.107212|0.103493|0.106322|0.118508|0.160939|0.141934|0.206465|0.213898|0.303877|0.500000| |1.642332|3.273485|1.837395|1.641374|1.610477|1.972020|1.330501|2.341814|1.225506|1.136430|1.136937|1.761442|13.435017|2.009904|2.070720|2.432353|4.430996|3.691834|3.327429|0.099901|3.164692|3.760001|6.312569|4.900766|5.459791|4.457106|4.512263|4.454508|5.457988|8.853817|17.530748|8.854605|3.802611|0.043609|0.043183|0.046099|0.042323|0.039775|0.034225|0.030396|0.031672|0.031696|0.030418|0.060416|0.069852|0.084872|0.075570|0.111000|0.091657|0.106969|0.124586|0.100237|0.118095|0.100770|0.143786|0.100195|0.117998|0.124638|0.224255|0.206376|0.500000| |1.517913|3.006035|1.697695|1.534682|1.517616|1.873972|1.266965|2.223032|1.174791|1.095343|1.088211|1.659040|12.827317|1.870286|1.902173|2.183493|3.878467|3.359557|2.957140|0.084359|2.866600|3.508317|5.869728|5.277119|6.336385|6.048667|6.922724|6.041519|6.333349|8.809298|17.594227|8.811399|3.528004|0.040192|0.040403|0.042429|0.039688|0.037974|0.032907|0.029456|0.030527|0.030195|0.029153|0.056242|0.065471|0.074936|0.070650|0.101098|0.090436|0.118333|0.134014|0.125744|0.159880|0.143609|0.262761|0.125648|0.159605|0.133978|0.175276|0.221246|0.306336|0.500000| |1.643784|3.312660|1.918706|1.732791|1.743376|2.136663|1.420898|2.463822|1.315140|1.210702|1.206182|1.956229|15.357681|2.235457|2.213591|2.543401|4.431399|3.986875|3.459035|0.099387|3.053615|3.531173|6.480703|5.487789|8.816766|6.811576|5.334913|4.403265|4.875943|5.474604|8.816524|17.514252|4.389349|0.043724|0.043620|0.045228|0.044144|0.043665|0.037143|0.032546|0.033508|0.033301|0.032353|0.069414|0.077497|0.077703|0.075096|0.094390|0.089351|0.123498|0.213846|0.141955|0.206553|0.118449|0.160706|0.103416|0.106204|0.107213|0.134829|0.123971|0.206339|0.221305|0.500000| |1.907763|3.917667|2.252097|1.983008|1.966160|2.363918|1.563384|2.726422|1.426438|1.305865|1.303686|2.215159|16.853376|2.609784|2.648978|3.197901|5.638159|5.136168|4.828431|0.145169|4.060503|4.712776|9.606838|6.817346|8.910505|5.449768|4.481066|4.300526|5.552792|6.496966|8.887297|17.558457|6.284479|0.050383|0.050038|0.052691|0.050098|0.047831|0.040035|0.034837|0.036284|0.036183|0.034746|0.081287|0.095844|0.102374|0.094690|0.124371|0.110741|0.140216|0.223067|0.124604|0.141836|0.100174|0.125958|0.103023|0.103132|0.124731|0.182564|0.134824|0.224362|0.175318|0.303939|0.500000| |2.501164|5.382145|3.179977|2.720461|2.688643|3.117575|2.015309|3.505769|1.793493|1.634206|1.590561|3.106467|22.554424|3.852670|3.934874|4.777784|7.179358|9.856321|8.793528|0.174459|6.789475|6.931566|12.204267|6.999507|5.853873|4.374611|3.534682|3.734547|4.558959|3.830222|3.639878|4.533837|17.340467|0.063475|0.067143|0.067482|0.066863|0.062414|0.050136|0.043404|0.045882|0.043843|0.041642|0.120925|0.218731|0.137665|0.178906|0.139840|0.183809|0.206505|0.192513|0.128236|0.105187|0.086854|0.087024|0.105866|0.086834|0.120233|0.110431|0.088326|0.090305|0.088217|0.107841|0.136824|0.500000| 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