Version2.1 2021-01-12T23:52:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)[C@@H](Cc1ccccc1)CNC(=O)[C@H]2CC(=O)N(C2)c3ccc4c(c3)OCO4 C23198052 RHF 6-31G(d) (6D,7F) CC[NH+](CC)[C@@H](Cc1ccccc1)CNC(=O)[C@H]2CC(=O)N(C2)c3ccc4c(c3)OCO4 C01[X(C25H32N3O4)] 186 C1 544 CC[NH+]([C@@H](Cc1ccccc1)CNC(=O)[C@H]1CC(=O)N(C1)c1ccc2c(c1)OCO2)CC CC[NH+]([C@@H](Cc1ccccc1)CNC(=O)[C@H]1CC(=O)N(C1)c1ccc2c(c1)OCO2)CC CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CN(C(=O)C1)c2ccc3OCOc3c2)Cc4ccccc4 InChIKey=ULLGETDXDSTKDB-FPOVZHCZSA-O InChI=1S/C25H31N3O4/c1-3-27(4-2)21(12-18-8-6-5-7-9-18)15-26-25(30)19-13-24(29)28(16-19)20-10-11-22-23(14-20)32-17-31-22/h5-11,14,19,21H,3-4,12-13,15-17H2,1-2H3,(H,26,30)/p+1/t19-,21-/m0/s1 InChI=1/C25H31N3O4/c1-3-27(4-2)21(12-18-8-6-5-7-9-18)15-26-25(30)19-13-24(29)28(16-19)20-10-11-22-23(14-20)32-17-31-22/h5-11,14,19,21H,3-4,12-13,15-17H2,1-2H3,(H,26,30)/p+1/t19-,21-/m0/s1/fC25H32N3O4/h26-27H/q+1 CC[NH+](CC)[C@@H](Cc1ccccc1)CNC(=O)[C@H]2CC(=O)N(C2)c3ccc4c(c3)OCO4 C01[X(C25H32N3O4)] 186 C01 544 CC[NH+]([C@@H](Cc1ccccc1)CNC(=O)[C@H]1CC(=O)N(C1)c1ccc2c(c1)OCO2)CC CC[NH]([C@@H](C[C]1[CH][CH][CH][CH][CH]1)CNC(=O)[C@H]1CC(=O)N(C1)[C]1[CH][CH][C]2[C]([CH]1)OCO2)CC CC[NH](CC)[C@H](CNC(=O)[C@@H]1CN([C]2[CH][CH][C]3OCO[C]3[CH]2)C(=O)C1)C[C]4[CH][CH][CH][CH][CH]4 InChIKey=GZEKTDBNIWNYIE-FPOVZHCZSA-N InChI=1S/C25H32N3O4/c1-3-27(4-2)21(12-18-8-6-5-7-9-18)15-26-25(30)19-13-24(29)28(16-19)20-10-11-22-23(14-20)32-17-31-22/h5-11,14,19,21,27H,3-4,12-13,15-17H2,1-2H3,(H,26,30)/t19-,21-/m0/s1 InChI=1/C25H32N3O4/c1-3-27(4-2)21(12-18-8-6-5-7-9-18)15-26-25(30)19-13-24(29)28(16-19)20-10-11-22-23(14-20)32-17-31-22/h5-11,14,19,21,27H,3-4,12-13,15-17H2,1-2H3,(H,26,30)/t19-,21-/m0/s1/f/h26H 3144.8541352279 -1427.9678213 1-A 24092.7359 117 427 544 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2057.93 2059.55 2067.76 2083.00 2099.45 2105.07 2134.95 2151.86 2178.46 2196.92 2222.58 2229.56 2240.36 2256.61 2271.58 2278.59 2279.55 2282.54 2328.15 2332.88 2334.10 2339.79 2343.25 2354.60 2356.52 2362.05 2364.88 2389.94 2392.72 2402.32 2405.22 2416.19 2422.65 2437.04 2463.82 2467.63 2567.62 2601.64 2618.92 2634.91 2719.07 2883.98 4643.85 4644.37 4649.49 4656.00 4660.51 4667.66 4684.28 4690.64 4707.97 4732.66 4738.78 4742.65 4750.62 4755.38 4759.20 4769.13 4774.97 4777.26 4790.81 4812.46 4816.77 4825.40 4830.41 4859.63 4867.41 4873.78 4893.06 4898.16 4900.11 4927.54 5033.81 5575.69 0.589743 0.618257 0.619201 0.524719 -1427.378078 -1427.349564 -1427.348620 -1427.443103 3.168975D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE CC[NH+](CC)[C@@H](Cc1ccccc1)CNC(=O)[C@H]2CC(=O)N(C2)c3ccc4c(c3)OCO4 C23198052 RHF 6-31G(d) (6D,10F) C1 438.239282 |X|Y|Z| 34.696869 50.833498 142.494446 63.107272 25 6 7 8 21 2 2 |36.858105| |12.502366|36.858105| |7.573920|12.650449|53.358707| |7.596944|9.403413|25.483822|0.500000| |6.015410|7.633872|17.171841|0.258853|36.858105| |4.461129|4.998384|10.269972|0.207165|12.517313|36.858105| |4.964102|7.474074|17.008878|0.260946|7.483981|5.964202|36.858105| |4.153947|5.590864|12.432160|0.215988|7.501105|7.024630|17.665816|0.500000| |4.238782|6.382604|10.027820|0.157022|5.640461|4.415855|12.351268|0.246405|36.858105| |3.787258|5.336260|8.072474|0.126980|5.679225|4.376251|7.296930|0.187879|12.553849|36.858105| |3.770789|5.123423|6.721903|0.108671|4.892333|3.709055|5.200460|0.130655|7.532181|13.725260|36.858105| |3.157935|3.932455|5.257585|0.088997|4.140517|3.323688|3.927109|0.104809|5.001375|7.893110|13.721262|36.858105| |2.773917|3.361056|4.791327|0.082882|3.945394|3.370550|3.658466|0.103452|4.420759|6.823253|7.933231|13.775410|36.858105| |2.775277|3.413062|5.205012|0.090033|4.314941|3.839931|4.202335|0.125716|5.009376|7.893417|6.888107|7.953143|13.723344|36.858105| |3.161889|4.103440|6.602077|0.110418|5.178803|4.465305|5.882379|0.179565|7.540961|13.671677|7.964341|6.887394|7.932705|13.773336|36.858105| |4.470509|5.890916|10.356406|0.217740|5.005898|4.518272|12.343969|0.247835|7.517757|4.842191|3.852376|3.059080|2.863850|3.204901|4.150149|36.858105| |3.856800|4.518326|8.065067|0.193274|4.460642|4.558665|7.523608|0.204015|5.009718|3.766809|3.086142|2.584371|2.497587|2.816861|3.502158|13.101826|53.358707| |4.108047|4.403321|7.689899|0.207720|4.442767|4.751690|5.796981|0.158319|4.022772|3.237834|2.764333|2.367146|2.287968|2.532286|3.034357|7.739110|19.248438|36.858105| |5.310516|5.346443|9.278521|0.292846|5.182329|5.315073|5.848216|0.151435|4.036271|3.310670|2.895627|2.472648|2.355275|2.558970|3.033605|6.854610|11.633958|15.682231|73.516695| |3.191518|3.280776|5.366783|0.133278|3.413419|3.805862|4.050577|0.115432|3.105157|2.621080|2.284054|2.012648|1.974714|2.178124|2.532509|5.013318|10.641728|12.614541|14.167674|36.858105| |2.814482|2.972525|4.876855|0.115540|3.160218|3.551380|3.886515|0.114272|3.051514|2.586033|2.228922|1.974005|1.958519|2.185742|2.545784|4.797331|10.285492|8.907464|10.457522|17.561829|0.500000| |2.956128|2.942201|4.481709|0.108426|2.835282|3.011731|3.330276|0.091033|2.697542|2.287492|2.045570|1.810616|1.757210|1.901548|2.177718|4.166625|7.636395|7.534603|10.786741|12.382153|0.245861|36.858105| |2.532238|2.471576|3.728400|0.088216|2.475757|2.689516|2.720301|0.075927|2.263758|1.984348|1.796617|1.620791|1.588299|1.711832|1.921672|3.186431|5.506557|5.119441|8.042797|7.927558|0.185913|12.526513|36.858105| |2.249965|2.185031|3.219393|0.074582|2.154164|2.305340|2.354695|0.065322|2.013208|1.780945|1.630371|1.480877|1.449912|1.551289|1.724665|2.729434|4.508915|3.945456|6.397334|5.376844|0.136638|7.901597|16.009560|73.516695| |2.561698|2.496749|3.862927|0.091897|2.645983|2.990566|2.775374|0.079367|2.279579|2.029737|1.829676|1.662441|1.644859|1.783683|1.993665|3.126422|5.445449|5.190916|8.312547|8.149892|0.190734|8.177292|13.957102|14.784457|53.358707| |3.005208|2.970356|4.817999|0.118591|3.290430|3.862710|3.426207|0.099717|2.690992|2.374173|2.104429|1.893775|1.876503|2.057722|2.334520|3.829438|7.041099|7.457776|11.575273|12.394891|0.246139|7.934448|8.097927|9.670435|17.870545|36.858105| |2.249240|2.172384|3.314294|0.076989|2.345083|2.666953|2.360193|0.067926|1.986646|1.810622|1.650856|1.522466|1.516732|1.636076|1.797419|2.566663|4.259186|3.823172|6.421365|5.147302|0.131567|5.132981|7.725435|11.679329|18.222953|7.585295|36.858105| |1.948141|1.901042|2.866198|0.065234|2.030623|2.277909|2.079255|0.059854|1.788886|1.639356|1.500245|1.392061|1.391703|1.499206|1.635923|2.263479|3.692393|3.154123|5.224626|4.119642|0.112430|4.267323|6.239672|11.120840|10.669925|5.195281|13.798448|36.858105| |1.754084|1.704435|2.544858|0.057152|1.832657|2.050616|1.835566|0.052878|1.603229|1.490549|1.375870|1.289455|1.294003|1.386791|1.495179|1.959794|3.111966|2.601195|4.405895|3.200684|0.087714|3.263706|4.326288|7.921027|6.970609|3.925824|7.872433|13.613483|36.858105| |1.777416|1.708830|2.547046|0.057155|1.863163|2.098762|1.807159|0.052103|1.577965|1.481219|1.374666|1.295087|1.301254|1.389200|1.487987|1.896013|2.973542|2.500622|4.343077|2.979527|0.079989|2.966131|3.763515|6.647826|6.232883|3.754523|6.959540|8.069662|13.959134|36.858105| |1.997546|1.898363|2.847327|0.064600|2.098141|2.392828|1.983526|0.057204|1.709430|1.604584|1.488244|1.398586|1.402276|1.496682|1.607185|2.064683|3.248361|2.798694|4.963226|3.308916|0.086152|3.216882|4.028169|6.761704|7.083715|4.421441|8.075376|6.975186|7.947897|13.792478|36.858105| |2.291120|2.173171|3.303407|0.076555|2.400440|2.762296|2.289003|0.065952|1.931243|1.787897|1.644144|1.528153|1.524897|1.635559|1.779025|2.413499|3.892216|3.488090|6.176592|4.289203|0.107609|4.104836|5.321551|8.316540|10.653703|6.366337|13.570456|7.862389|6.745835|7.923329|13.959285|36.858105| |1.914249|1.805299|2.683569|0.060220|2.013319|2.289132|1.849005|0.053267|1.610005|1.531558|1.433357|1.359000|1.365383|1.447851|1.537946|1.889380|2.907135|2.467561|4.465317|2.790648|0.072789|2.692214|3.192207|5.398942|5.320555|3.580786|5.200863|4.683254|5.406384|8.544371|14.078348|7.781360|73.516695| |1.679480|1.594651|2.347426|0.052064|1.754999|1.967008|1.636848|0.047056|1.446377|1.381135|1.298346|1.237272|1.245177|1.316329|1.389918|1.676308|2.555026|2.123710|3.802617|2.392010|0.063566|2.349336|2.777060|4.854701|4.424749|2.932872|4.221943|4.222301|5.362912|8.608397|8.608036|5.366588|23.972038|36.858105| |1.619459|1.554840|2.297306|0.050960|1.698165|1.900575|1.626452|0.046852|1.438270|1.364573|1.275792|1.211748|1.220691|1.296576|1.375256|1.685907|2.595265|2.145269|3.764024|2.473201|0.066781|2.453944|2.975085|5.300712|4.718911|3.007764|4.675955|5.191993|7.748423|14.059476|8.550463|5.401787|14.926074|13.531956|73.516695| |17.598741|8.714200|9.131754|0.185605|6.462844|4.813113|4.405681|0.108213|3.787159|3.585920|3.610718|3.142878|2.804441|2.787130|3.095969|3.835526|4.701914|3.735911|8.497018|2.996972|0.073786|2.741013|2.415226|3.820590|3.398758|2.935678|2.233462|1.928141|1.752814|1.797953|2.038160|2.322289|3.518895|1.727772|2.930435|0.500000| |17.584343|8.794222|9.367865|0.225078|5.290747|4.322270|4.781308|0.112688|3.892220|3.368316|3.244271|2.748600|2.474715|2.523980|2.889228|4.695554|5.778726|4.795890|11.831506|3.672353|0.087185|3.454174|2.906538|4.542095|3.966066|3.435326|2.511963|2.146014|1.910083|1.929539|2.182885|2.546019|3.677572|1.800890|3.093416|0.300675|0.500000| |17.582856|8.946548|7.551585|0.150454|4.634178|3.587374|4.127485|0.096843|3.793367|3.445276|3.577217|3.032574|2.618896|2.561479|2.863716|3.840915|4.498045|3.451080|7.528867|2.785513|0.069145|2.661593|2.305186|3.708038|3.128483|2.619913|2.040967|1.792038|1.625652|1.644728|1.831028|2.073084|3.134511|1.563827|2.682867|0.303215|0.301749|0.500000| |8.771221|17.657083|12.360767|0.183385|7.341189|4.659035|6.428271|0.141541|6.494298|6.179411|6.587661|4.869125|3.933146|3.834422|4.519754|4.824166|5.141294|3.609957|7.423261|2.814856|0.072432|2.535829|2.179232|3.465956|3.011901|2.594552|1.960416|1.735365|1.573166|1.582434|1.747963|1.972107|2.983322|1.493359|2.583437|0.208956|0.172367|0.211679|0.500000| |8.914135|17.661942|12.346085|0.213500|5.619230|4.135795|7.405255|0.146821|6.787779|5.107595|4.854544|3.664765|3.120583|3.180445|3.864682|6.712186|6.481464|4.446413|9.177617|3.305548|0.083754|3.038996|2.501352|3.955176|3.358630|2.889209|2.126871|1.877691|1.675215|1.662209|1.828131|2.092025|3.066368|1.534518|2.682314|0.173051|0.212186|0.217850|0.302567|0.500000| |7.059345|7.613418|12.419124|0.214859|17.668312|8.907567|5.560994|0.147888|4.572091|4.676788|4.429084|3.889646|3.624581|3.747733|4.218353|4.172371|5.148240|3.925939|8.435537|3.113967|0.078966|2.669752|2.367761|3.696491|3.438940|3.080507|2.270076|1.962433|1.786209|1.833828|2.078155|2.362482|3.589386|1.756934|2.990373|0.244635|0.162134|0.147678|0.209723|0.149008|0.500000| |4.982212|6.613990|12.327061|0.182136|17.702721|8.781415|7.091708|0.202290|6.268421|7.400993|6.246563|5.277674|5.073167|5.624655|6.831792|4.573933|5.377044|3.749807|7.358776|2.977493|0.078655|2.514383|2.213302|3.469109|3.191170|2.844465|2.101894|1.852038|1.685252|1.707753|1.898591|2.138623|3.253742|1.615786|2.789841|0.145395|0.119544|0.114474|0.203557|0.143246|0.303194|0.500000| |3.806107|4.423635|9.076079|0.181356|8.718742|17.588099|6.399568|0.242838|4.667179|4.560995|3.670391|3.277813|3.412376|4.086015|4.925189|4.838197|6.851445|4.943630|8.995857|4.001640|0.107902|3.076739|2.731766|4.148792|4.135536|3.947927|2.689374|2.322341|2.078264|2.100083|2.361599|2.722585|3.967105|1.933459|3.367458|0.108962|0.104088|0.087623|0.115205|0.107306|0.172969|0.209059|0.500000| |4.607953|4.775731|9.336388|0.221002|8.790454|17.579665|5.296611|0.163603|3.868610|3.660153|3.185792|2.854149|2.847502|3.164889|3.631913|4.449083|6.507664|5.480843|11.536772|4.406390|0.109676|3.414723|3.063176|4.586041|4.748077|4.697238|3.077276|2.555054|2.276304|2.345013|2.731113|3.234610|4.609011|2.182787|3.729211|0.138537|0.131379|0.101549|0.117828|0.111604|0.211974|0.172427|0.300344|0.500000| |3.872051|4.168008|7.536873|0.148838|8.957964|17.584467|4.586359|0.146103|3.735542|3.922123|3.461215|3.254295|3.390541|3.812687|4.152480|3.612385|4.947810|3.784312|7.402385|3.216013|0.084498|2.623629|2.411639|3.732471|3.668831|3.366254|2.479101|2.140777|1.962231|2.032997|2.317499|2.616944|4.020733|1.950673|3.318245|0.120170|0.102559|0.089484|0.113224|0.096874|0.217581|0.212036|0.303330|0.301972|0.500000| |4.538539|6.998394|9.013635|0.146060|4.900060|3.796207|8.770330|0.173651|17.583083|8.882172|7.287461|4.766248|3.977129|4.186166|5.594509|6.856960|6.168716|3.759007|6.860220|2.925451|0.078746|2.629818|2.199125|3.509244|2.968264|2.531079|1.902041|1.717124|1.541413|1.516490|1.639908|1.848672|2.750118|1.394159|2.461925|0.108288|0.114061|0.117213|0.199953|0.235378|0.118214|0.145470|0.107055|0.095817|0.090867|0.500000| |3.489665|4.790745|7.491516|0.129124|4.467215|3.831750|9.063628|0.217043|17.553331|8.978879|5.888396|4.317563|4.012126|4.685037|6.925711|7.236531|6.828284|3.854015|6.538563|3.065662|0.086098|2.671755|2.241042|3.559691|3.048809|2.614783|1.950674|1.775986|1.589093|1.550759|1.663717|1.873064|2.770994|1.409052|2.510966|0.087558|0.092098|0.088439|0.132187|0.145004|0.102916|0.134879|0.116869|0.095093|0.091609|0.306310|0.500000| |4.103768|5.634740|6.610477|0.108179|4.506555|3.393076|4.926463|0.117694|6.971671|8.901103|17.697241|8.936159|5.652236|4.958744|5.649091|3.844497|4.123480|2.737011|5.160227|2.253993|0.060521|2.053941|1.794589|2.907129|2.461989|2.064664|1.627405|1.478584|1.354485|1.351885|1.463239|1.618436|2.503555|1.276761|2.229359|0.105938|0.096281|0.112109|0.210649|0.154398|0.118128|0.147998|0.091581|0.083575|0.087191|0.223100|0.151009|0.500000| |2.989771|3.577516|4.588126|0.079474|3.578662|2.912812|3.330389|0.088001|4.084477|5.631687|8.918819|17.726514|8.920359|5.649924|4.960312|2.700750|3.142922|2.146538|4.011764|1.845349|0.050068|1.683058|1.516467|2.479657|2.109652|1.747478|1.427856|1.309621|1.218864|1.226926|1.322931|1.437903|2.295840|1.180118|2.049718|0.083137|0.072023|0.081887|0.123041|0.093272|0.097255|0.120575|0.078623|0.071090|0.080081|0.113477|0.099730|0.216294|0.500000| |2.464566|2.880182|4.061956|0.072058|3.361365|2.971219|3.047261|0.086604|3.538545|4.927185|5.642129|8.918088|17.731116|8.902802|5.644454|2.470193|2.996494|2.044239|3.739573|1.794389|0.049498|1.608712|1.470133|2.399601|2.075897|1.723949|1.419807|1.309372|1.225997|1.236608|1.328874|1.433484|2.313937|1.192730|2.074786|0.069961|0.061547|0.065295|0.092125|0.074526|0.088151|0.115095|0.083043|0.070890|0.084950|0.090543|0.091239|0.124292|0.214775|0.500000| |2.464946|2.937200|4.523901|0.080757|3.781334|3.590957|3.636219|0.111914|4.090065|5.629105|4.960576|5.652445|8.905241|17.725245|8.934115|2.883045|3.567928|2.376074|4.222916|2.086792|0.058718|1.817969|1.655314|2.673143|2.362471|1.993008|1.605777|1.479640|1.375635|1.379218|1.480401|1.607259|2.552117|1.309815|2.296717|0.069301|0.063283|0.063246|0.089185|0.076392|0.092219|0.130242|0.108231|0.083001|0.101579|0.096301|0.110446|0.107637|0.124161|0.214613|0.500000| |2.983943|3.794559|6.414960|0.111380|4.929196|4.634597|6.114488|0.208821|6.986341|8.875135|5.648473|4.957294|5.649769|8.954824|17.683862|4.429442|5.258122|3.267335|5.631191|2.743303|0.078043|2.314248|2.038170|3.232990|2.892836|2.508509|1.907112|1.737800|1.580388|1.564499|1.685548|1.872323|2.847184|1.445969|2.558616|0.080870|0.077827|0.074375|0.110147|0.100700|0.109336|0.166947|0.152866|0.105123|0.117443|0.140817|0.198583|0.123926|0.107614|0.124309|0.216640|0.500000| |3.687633|4.746504|7.621933|0.152085|4.106664|3.764151|8.913402|0.202825|7.490922|4.761286|3.764965|3.000001|2.822352|3.175647|4.125123|17.642524|12.704249|5.807793|8.931518|4.311125|0.121033|3.732012|2.913551|4.532614|3.838766|3.329526|2.349836|2.118151|1.844998|1.771351|1.901092|2.190733|3.096330|1.563764|2.815243|0.089402|0.105348|0.091864|0.115498|0.152958|0.096900|0.109966|0.114181|0.101126|0.086993|0.191768|0.239490|0.104105|0.073551|0.067708|0.079697|0.124062|0.500000| |5.140303|6.635724|9.862088|0.215452|4.638647|4.034593|8.750008|0.175467|6.396889|4.327272|3.679531|2.922719|2.670742|2.886930|3.604631|17.583550|12.456271|7.113081|12.553157|4.718404|0.119803|4.234747|3.195913|4.918496|4.164675|3.653192|2.512226|2.211456|1.918041|1.859691|2.028781|2.371575|3.308804|1.652704|2.943915|0.115817|0.154985|0.124229|0.142440|0.236128|0.113631|0.116045|0.113576|0.113439|0.091593|0.186980|0.162739|0.106611|0.073225|0.064573|0.071906|0.102551|0.304682|0.500000| |3.216499|3.704188|6.283085|0.142461|3.726727|3.889959|5.907446|0.169304|4.422916|3.423711|2.816166|2.397413|2.347387|2.664264|3.275055|9.063380|26.051209|9.447638|10.912670|7.493429|0.239040|5.536231|4.059043|5.977876|5.378133|4.885537|3.103182|2.756700|2.312290|2.174927|2.334784|2.770162|3.688252|1.842672|3.369734|0.081314|0.096889|0.078713|0.089367|0.108985|0.089045|0.094922|0.122069|0.111672|0.089400|0.111176|0.130490|0.076326|0.059679|0.057929|0.069908|0.102301|0.238816|0.189195|0.500000| |2.716365|2.759952|4.139092|0.097153|2.601012|2.713350|3.187035|0.086548|2.651872|2.230865|1.994085|1.762156|1.708163|1.848412|2.120067|4.095624|7.310919|6.231903|8.826030|8.592312|0.219180|17.625128|8.844890|12.663490|8.162782|5.703052|4.233524|3.794346|2.971724|2.662531|2.802490|3.420426|4.229292|2.124227|3.981217|0.069350|0.086479|0.069097|0.066785|0.080874|0.067690|0.065328|0.077980|0.082981|0.066121|0.072317|0.074398|0.055777|0.045542|0.043448|0.049104|0.062721|0.106496|0.115705|0.157425|0.500000| |3.300639|3.181289|4.698417|0.115428|2.920593|3.018290|3.363782|0.089319|2.729189|2.308190|2.091009|1.842374|1.767300|1.890496|2.160470|4.189035|7.163751|7.224269|11.892830|8.724494|0.174155|17.551629|8.973547|11.923886|8.937451|6.628309|4.537731|3.744769|2.978598|2.784017|3.068000|3.880895|4.665137|2.282091|4.158266|0.083813|0.110804|0.082745|0.074978|0.091769|0.077779|0.071239|0.083375|0.095717|0.072955|0.075290|0.073740|0.059019|0.047833|0.044907|0.049801|0.062813|0.102014|0.124942|0.135435|0.300939|0.500000| |3.401214|3.243807|5.236679|0.132671|3.612213|4.242624|3.513602|0.100531|2.737120|2.432836|2.179778|1.960870|1.929141|2.095020|2.366582|3.806685|6.622651|7.225917|13.430054|8.789285|0.175248|6.608428|6.486882|8.400324|12.280539|17.579552|6.475744|4.466942|3.579160|3.591903|4.421908|6.406856|6.608761|2.970137|5.226004|0.093605|0.110290|0.081050|0.077836|0.085845|0.096134|0.084511|0.114511|0.151283|0.102317|0.072035|0.072250|0.059692|0.050430|0.049215|0.055980|0.069564|0.089825|0.103431|0.120989|0.134815|0.178699|0.500000| |2.784108|2.804772|4.635870|0.110844|3.295933|4.056217|3.349668|0.101132|2.649866|2.381900|2.095477|1.904372|1.914909|2.123599|2.396722|3.599041|6.509549|6.199930|9.615014|8.692476|0.222682|5.726819|5.962629|7.909351|12.404698|17.599924|6.988823|5.076083|3.967646|3.840386|4.503458|6.205788|6.543630|3.010718|5.507311|0.076763|0.085832|0.067498|0.069337|0.074943|0.084595|0.080028|0.118775|0.135568|0.099689|0.068074|0.071973|0.056365|0.048586|0.049006|0.057798|0.072456|0.088312|0.092515|0.128932|0.127791|0.135256|0.300637|0.500000| |1.893038|1.866779|2.807528|0.063619|1.963787|2.178505|2.071312|0.059463|1.791706|1.629977|1.487312|1.375530|1.373526|1.482261|1.623974|2.291322|3.758293|3.150964|5.096939|4.182774|0.118204|4.497686|6.658053|12.751317|9.817027|4.848653|8.967075|17.778107|8.902197|5.713590|5.009794|5.621194|6.591260|3.447462|7.402679|0.051528|0.057853|0.048580|0.047329|0.051758|0.052364|0.050065|0.062304|0.067060|0.056502|0.047857|0.049857|0.040774|0.035917|0.035841|0.040611|0.048076|0.060255|0.062108|0.079479|0.115709|0.106212|0.112773|0.129800|0.500000| |1.605923|1.568955|2.327678|0.051794|1.674590|1.856848|1.693261|0.048715|1.496086|1.394778|1.290790|1.213542|1.219399|1.304880|1.401634|1.808374|2.842862|2.328826|3.928012|2.820524|0.078645|2.903299|3.729074|7.041841|5.651591|3.300978|5.611374|8.820026|17.752712|8.936547|5.644377|4.888340|7.766552|4.651370|12.146591|0.044462|0.048265|0.041623|0.040450|0.043036|0.045296|0.043145|0.052502|0.056509|0.049527|0.040036|0.041410|0.035310|0.031929|0.032183|0.036043|0.041139|0.047780|0.049161|0.059180|0.075478|0.073733|0.083732|0.092896|0.213249|0.500000| |2.569966|2.399522|3.665033|0.086077|2.685423|3.119503|2.475584|0.071118|2.063127|1.912068|1.760643|1.632341|1.623230|1.737334|1.893220|2.577599|4.131953|3.793774|6.997883|4.469675|0.108018|4.143682|4.982860|7.534523|9.658142|6.844689|8.760269|5.595647|4.888949|5.642922|8.964016|17.755405|12.263216|4.672631|7.782576|0.073166|0.079965|0.063845|0.060097|0.063351|0.074155|0.065402|0.083522|0.104485|0.081892|0.054837|0.054924|0.048174|0.042632|0.042272|0.047190|0.055064|0.063960|0.070670|0.079754|0.094145|0.112739|0.220997|0.180355|0.123421|0.106482|0.500000| 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