Version2.0 2020-02-03T15:20:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 20-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)C[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]4N1C(=O)c5c4cccc5 C63383574 RHF 6-31G(d) (6D,7F) CC(C)C[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]4N1C(=O)c5c4cccc5 C01[X(C29H35N4O3)] 207 C1 610 CC(CNC(=O)[C@@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]2N1C(=O)c1c2cccc1)CC(C)C)C CC(CNC(=O)[C@@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]2N1C(=O)c1c2cccc1)CC(C)C)C CC(C)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC2=C3C=CC=CC3=[NH+][C@H]2[C@H]4N1C(=O)c5ccccc45 InChIKey=OOKPTTZIYQAQDM-SSUZURRFSA-O InChI=1S/C29H34N4O3/c1-16(2)13-23(27(34)30-15-17(3)4)32-28(35)24-14-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(24)26/h5-12,16-17,23-26H,13-15H2,1-4H3,(H,30,34)(H,32,35)/p+1/t23-,24-,25+,26-/m0/s1 InChI=1/C29H34N4O3/c1-16(2)13-23(27(34)30-15-17(3)4)32-28(35)24-14-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(24)26/h5-12,16-17,23-26H,13-15H2,1-4H3,(H,30,34)(H,32,35)/p+1/t23-,24-,25+,26-/m0/s1/fC29H35N4O3/h30-32H/q+1 CC(C)C[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]4N1C(=O)c5c4cccc5 C01[X(C29H35N4O3)] 207 C01 610 CC(CNC(=O)[C@@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]2N1C(=O)c1c2cccc1)CC(C)C)C CC(CNC(=O)[C@@H](NC(=O)[C@@H]1CC2=C3C=CC=C[C@H]3N[C@H]2[C@H]2N1C(=O)c1c2cccc1)CC(C)C)C CC(C)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC2=C3C=CC=C[C@H]3N[C@H]2[C@H]4N1C(=O)c5ccccc45 InChIKey=YGDMJHSMOQXGFH-CAKRBILKSA-N InChI=1S/C29H36N4O3/c1-16(2)13-23(27(34)30-15-17(3)4)32-28(35)24-14-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(24)26/h5-12,16-17,22-26,31H,13-15H2,1-4H3,(H,30,34)(H,32,35)/t22-,23+,24+,25-,26+/m1/s1 InChI=1/C29H36N4O3/c1-16(2)13-23(27(34)30-15-17(3)4)32-28(35)24-14-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(24)26/h5-12,16-17,22-26,31H,13-15H2,1-4H3,(H,30,34)(H,32,35)/t22-,23+,24+,25-,26+/m1/s1/f/h30,32H 3920.7994561200 -1560.8176048 1-A 21201.4710 130 480 610 |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| -20.64143 -20.61730 -20.59622 -15.77862 -15.71333 -15.66019 -15.65425 -11.48908 -11.46146 -11.45599 -11.44568 -11.44253 -11.42858 -11.42562 -11.41876 -11.40875 -11.40777 -11.40554 -11.39237 -11.38736 -11.38544 -11.36770 -11.35494 -11.34980 -11.34770 -11.34762 -11.34594 -11.33933 -11.31776 -11.29340 -11.28916 -11.28607 -11.26923 -11.26553 -11.26332 -11.26300 -1.51289 -1.48716 -1.48614 -1.46393 -1.40365 -1.32211 -1.31126 -1.30607 -1.28399 -1.26780 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12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12525.4368 27026.1584 35541.6326 0.99998 -0.00361 -0.00572 0.00357 0.99996 -0.00786 0.00575 0.00784 0.99995 1 0.00692 0.00320 0.00244 0.14409 0.06678 0.05078 14.46 20.43 25.05 39.45 52.84 69.51 74.69 82.21 89.72 110.84 119.53 126.35 142.55 164.00 174.60 192.53 215.26 243.72 260.92 296.12 329.43 340.27 349.78 353.13 362.08 374.00 386.72 394.84 402.35 439.27 463.53 470.03 482.01 512.90 557.98 566.54 589.93 605.33 622.14 635.69 648.48 657.76 671.72 673.99 740.81 772.04 784.71 790.05 791.13 816.35 843.63 853.21 860.99 867.79 942.35 958.57 1019.20 1039.79 1064.77 1085.21 1112.76 1127.79 1141.25 1163.03 1186.73 1204.53 1216.85 1219.32 1235.78 1261.27 1275.07 1282.44 1294.05 1330.99 1352.79 1370.80 1379.16 1403.70 1422.96 1442.35 1452.92 1457.34 1473.62 1485.71 1499.87 1507.63 1508.08 1518.66 1523.74 1567.73 1574.60 1590.13 1595.98 1611.27 1616.31 1624.35 1645.33 1648.66 1652.47 1667.18 1700.43 1741.83 1755.69 1768.91 1777.43 1782.78 1787.09 1815.48 1841.88 1858.58 1860.43 1874.39 1874.77 1880.21 1883.27 1899.00 1903.24 1939.37 1940.93 1948.87 1968.25 1991.82 2000.02 2022.11 2031.15 2040.35 2047.11 2061.19 2074.02 2103.39 2104.57 2131.98 2144.64 2154.50 2162.86 2171.94 2184.46 2197.03 2198.56 2229.75 2231.42 2232.43 2245.59 2247.22 2258.52 2268.99 2269.70 2296.69 2310.27 2340.09 2346.02 2346.17 2353.38 2354.01 2354.25 2364.08 2367.95 2371.05 2372.16 2374.16 2382.92 2391.11 2443.51 2504.95 2507.90 2532.42 2580.59 2607.80 2647.37 2759.28 2848.91 2905.47 4565.96 4583.68 4595.41 4599.35 4601.22 4608.47 4613.08 4614.29 4642.88 4656.77 4657.97 4682.85 4686.87 4690.89 4691.67 4693.38 4699.06 4702.15 4711.05 4715.55 4735.07 4751.32 4757.42 4779.78 4838.10 4869.38 4878.71 4888.65 4895.75 4906.19 4907.27 4920.79 5493.32 5567.69 5577.51 0.648136 0.679962 0.680907 0.580766 -1560.169468 -1560.137642 -1560.136698 -1560.236838 3.358712D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE CC(C)C[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]4N1C(=O)c5c4cccc5 C63383574 RHF 6-31G(d) (6D,10F) C1 487.270916 |X|Y|Z| 77.462695 117.929708 35.963611 69.001686 20 6 7 18 2 |36.858105| |12.431450|36.858105| |7.564624|12.435742|36.858105| |7.598264|12.398753|7.471106|36.858105| |4.867045|7.316586|5.961551|12.377513|36.858105| |4.442205|6.708575|6.625352|8.770483|17.629331|0.500000| |3.807477|4.859437|4.201318|7.601439|12.423857|0.245471|36.858105| |3.391245|4.090718|3.462630|5.862020|8.002778|0.166734|15.769687|73.516695| |3.434000|4.203750|3.943348|6.049999|7.827645|0.203214|14.228909|15.039611|53.358707| |2.802038|3.223007|3.056074|4.262757|4.978378|0.131309|7.713201|11.909066|17.821627|36.858105| |2.736808|2.994639|2.846217|3.848038|4.006629|0.105524|5.383313|8.662410|10.373256|12.425796|36.858105| |3.007090|3.168008|2.872787|4.143800|3.997482|0.099932|5.217653|8.887857|8.479363|7.501949|12.451603|36.858105| |2.247652|2.414858|2.324616|2.947510|3.088576|0.082732|3.936654|6.754965|6.792075|7.610245|12.440695|7.546105|36.858105| |4.319728|6.095255|4.868837|7.666213|13.099796|0.256124|7.971070|12.925502|7.228918|3.944582|3.225745|3.268247|2.635489|53.358707| |3.793718|5.235541|4.658131|5.487262|7.779544|0.210306|5.420722|8.908499|5.685905|3.271484|2.720523|2.692582|2.296507|19.246643|36.858105| |3.816425|5.381511|5.367445|5.117802|6.686906|0.212955|4.630305|7.259312|5.261285|3.036780|2.571963|2.508424|2.180545|11.467340|15.938042|73.516695| |3.080047|3.850440|3.449805|3.968916|5.002892|0.132244|4.148454|7.488966|4.517108|2.781904|2.349013|2.342220|2.048032|10.613424|12.367224|14.347714|36.858105| 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|2.428675|2.720363|2.362243|2.950878|3.351653|0.083264|3.305039|6.823768|3.686380|2.474906|2.155169|2.231864|1.948633|5.928264|4.275246|6.082330|5.653385|0.128138|6.541928|8.853667|6.209848|4.284801|3.561067|3.609073|4.402427|6.328987|12.365788|0.209186|17.563609|0.500000| |2.278339|2.639899|2.405060|2.812012|3.366587|0.088414|3.240904|6.329409|3.695520|2.455860|2.089931|2.080417|1.897213|5.993091|4.934267|7.129910|7.624865|0.187083|6.468343|7.829838|5.624881|4.047137|3.372621|3.381109|4.034946|5.579757|10.252454|0.175675|12.352183|0.244676|36.858105| |2.151291|2.481215|2.308009|2.571440|3.027377|0.081588|2.855049|5.402516|3.334790|2.218690|1.909660|1.890433|1.743259|5.239905|4.521414|6.919875|6.932244|0.199764|5.890435|7.200771|5.788922|4.274447|3.592003|3.598486|4.252978|5.744423|9.590525|0.163361|8.894547|0.174037|17.490686|0.500000| |2.653431|3.207395|2.897667|3.494159|4.474151|0.116670|4.172290|8.038926|4.557214|2.908532|2.408757|2.379470|2.133731|8.724239|7.577190|9.779495|13.119704|0.252631|7.765967|6.937816|4.771615|3.695097|3.022600|2.899496|3.269456|4.283469|6.951142|0.122590|7.917603|0.198354|13.109699|0.251129|53.358707| |2.493284|3.022510|2.807294|3.413842|4.568290|0.122702|4.611704|8.886728|5.139727|3.327463|2.652357|2.539046|2.361863|8.016788|6.400996|8.915423|7.557480|0.175394|5.078406|4.624583|3.556407|2.912080|2.484155|2.422118|2.708969|3.356278|5.413301|0.102097|5.373179|0.146957|8.099142|0.177698|18.627265|36.858105| |2.627243|3.266288|3.110819|3.767029|5.375201|0.152212|5.472619|9.777468|6.180103|3.864047|2.968832|2.759326|2.599005|8.734951|6.865621|10.025652|6.499961|0.157524|4.418958|3.820749|3.042811|2.596719|2.232979|2.151364|2.350997|2.829313|4.379580|0.083266|4.124925|0.114573|5.468562|0.132257|11.283846|16.037284|73.516695| |2.126132|2.479482|2.312153|2.774466|3.473127|0.092807|3.677378|7.339589|4.302894|2.964144|2.416407|2.319266|2.226346|5.677209|4.321402|6.441176|5.157390|0.128602|4.071031|4.137698|3.344439|2.712993|2.383440|2.405458|2.762163|3.379531|5.724400|0.114045|5.322365|0.147586|8.113686|0.175783|11.333976|12.861937|14.053624|36.858105| |2.039423|2.336647|2.158106|2.547434|3.059679|0.080938|3.126644|6.230484|3.656450|2.515786|2.122142|2.083810|1.963914|5.105228|3.962382|5.931298|5.148884|0.130537|4.388686|4.953626|4.022164|3.117225|2.742498|2.835190|3.385092|4.286620|7.890029|0.159272|7.284187|0.187504|12.603889|0.246522|11.177802|8.155106|9.720998|13.803540|36.858105| |1.792030|2.008123|1.867727|2.171479|2.526089|0.067139|2.613545|5.187253|3.144903|2.221806|1.913647|1.883979|1.807361|4.042404|3.080648|4.781680|3.792047|0.099590|3.460861|4.016528|3.538988|2.814233|2.574912|2.759742|3.357427|4.033046|7.435778|0.169225|5.679110|0.150334|7.235432|0.175454|7.040620|5.220058|7.141510|7.944113|13.782450|36.858105| |1.664179|1.855533|1.743421|2.025168|2.351286|0.062976|2.498945|4.952313|3.080960|2.234207|1.923752|1.870866|1.850208|3.628694|2.712941|4.287810|3.152073|0.083257|2.851317|3.150301|2.820295|2.337611|2.168849|2.308401|2.723081|3.128500|5.367048|0.120945|4.099751|0.113947|4.961334|0.124465|5.606313|4.537723|6.627323|6.970877|8.024986|13.721118|36.858105| |1.711530|1.926091|1.822897|2.135791|2.526596|0.068166|2.758259|5.465296|3.443573|2.534522|2.137854|2.038466|2.067555|3.820797|2.821271|4.470391|3.153423|0.082709|2.758157|2.904298|2.552105|2.150695|1.976424|2.056295|2.363173|2.715509|4.502962|0.097021|3.624642|0.102816|4.485227|0.111243|5.622210|5.024266|7.616394|8.045644|6.904031|7.861140|13.690979|36.858105| |1.920573|2.207042|2.087850|2.484916|3.051974|0.082580|3.369316|6.690453|4.136439|2.987757|2.433372|2.291489|2.304517|4.664691|3.444406|5.361116|3.806542|0.097969|3.158529|3.199663|2.713747|2.276057|2.048636|2.086148|2.371030|2.785650|4.587891|0.094782|3.940871|0.112113|5.183501|0.124048|7.132935|7.386770|10.956913|13.784833|7.882333|6.765961|7.904491|13.755967|36.858105| |17.552354|8.772580|6.937184|5.502382|4.013730|0.106006|3.195531|5.138221|3.980889|2.440194|2.384036|2.574154|2.003209|5.081405|3.469266|6.384343|2.893964|0.075371|3.072202|2.528257|2.308015|2.335991|2.043604|1.816256|1.791120|1.989717|2.664768|0.049940|2.223383|0.062977|2.152913|0.057284|3.360754|2.300572|4.276245|1.977687|1.917061|1.695557|1.570969|1.604801|1.786974|0.500000| |17.537934|8.740665|5.483836|6.926481|4.598893|0.111517|3.752245|6.191865|4.492458|2.746314|2.690927|3.040223|2.225982|5.840415|3.676250|6.296236|3.088419|0.077320|3.368635|2.771796|2.480988|2.446113|2.124669|1.909030|1.910041|2.148091|2.914495|0.054667|2.465370|0.071800|2.336330|0.060713|3.663926|2.497115|4.589318|2.151799|2.085901|1.838507|1.700041|1.736417|1.937308|0.301523|0.500000| |17.529509|8.761264|6.818957|6.874494|4.465281|0.115424|3.694669|5.783803|4.749137|2.883849|2.909416|3.229851|2.370836|5.143069|3.305080|5.935920|2.711165|0.069462|2.784736|2.327410|2.095996|2.064312|1.822459|1.657001|1.661416|1.849639|2.530323|0.047989|2.121356|0.061220|2.077199|0.054481|3.268277|2.308263|4.364800|1.992137|1.895288|1.679999|1.578375|1.634293|1.827980|0.301974|0.301604|0.500000| |8.925969|17.525271|8.921624|8.894142|6.875509|0.173403|4.535476|7.101325|5.144290|2.957890|2.696261|2.833704|2.222696|9.431833|6.327089|11.431043|4.594127|0.114172|4.753411|3.496692|2.991763|2.908715|2.429073|2.145421|2.157164|2.495031|3.395703|0.062310|2.988514|0.084173|2.947114|0.077209|4.918928|3.265766|6.134663|2.642801|2.529759|2.150509|1.955174|2.007190|2.301886|0.213125|0.213291|0.173583|0.500000| |6.801413|8.772025|17.515107|6.807227|5.337919|0.164739|4.087053|5.919988|5.548661|3.188977|3.057791|3.066591|2.472271|5.663263|3.869844|7.651694|2.970610|0.078285|2.811745|2.308796|2.054481|2.005569|1.764110|1.608673|1.621803|1.815277|2.505923|0.047482|2.120355|0.059850|2.179633|0.057951|3.527087|2.569142|5.093441|2.154447|1.997161|1.747308|1.651166|1.738086|1.981491|0.169021|0.139044|0.200600|0.173619|0.500000| |5.484209|8.726122|17.590520|6.697878|6.507849|0.229886|4.438911|6.393848|5.664557|3.174227|2.856725|2.795186|2.345318|7.273679|5.435099|12.175880|3.834547|0.102506|3.445493|2.718636|2.373174|2.298724|1.985310|1.795641|1.815544|2.061906|2.849835|0.053359|2.456637|0.068085|2.587821|0.069339|4.330569|3.123554|6.313477|2.516352|2.318301|1.984754|1.851491|1.949035|2.260082|0.141903|0.122357|0.138891|0.214037|0.300154|0.500000| |6.992666|8.798079|17.553076|5.459755|4.558293|0.137270|3.415946|5.212657|4.383723|2.603011|2.457553|2.491594|2.058598|5.526528|4.076510|8.467650|3.182981|0.085963|3.093770|2.496699|2.248563|2.249582|1.961444|1.752028|1.739732|1.943601|2.629834|0.049259|2.214788|0.061359|2.253435|0.060924|3.613777|2.534062|4.894067|2.120423|2.010508|1.756098|1.634502|1.692897|1.916045|0.211398|0.142102|0.171305|0.212590|0.302104|0.303243|0.500000| |6.816632|8.864936|6.961617|17.517036|8.859031|0.208771|7.123565|9.484265|9.125812|4.699768|4.461702|4.823999|3.284128|7.626383|4.344779|7.484524|3.300231|0.081672|3.150754|2.583719|2.230700|2.102445|1.835929|1.699768|1.749429|1.991359|2.817639|0.053620|2.441453|0.071623|2.477307|0.063393|4.092353|3.027842|6.008831|2.525130|2.301694|1.993946|1.889899|2.009897|2.321455|0.139955|0.166814|0.201929|0.174484|0.208286|0.169604|0.141947|0.500000| |7.218757|8.824414|5.478698|17.528726|8.937776|0.174127|7.051199|11.068328|7.340721|4.081022|3.766392|4.316016|2.921884|9.671857|4.955179|7.785901|3.858000|0.091255|3.924832|3.142605|2.653959|2.467057|2.116681|1.948370|2.015030|2.332263|3.303403|0.062151|2.924290|0.087901|2.851607|0.071439|4.733243|3.333316|6.299452|2.770716|2.583317|2.214959|2.057538|2.150637|2.476558|0.144659|0.217643|0.178960|0.209053|0.141320|0.137154|0.123139|0.303754|0.500000| |3.563747|4.441588|4.443218|6.121632|7.544495|0.226749|9.481202|10.872653|26.052349|9.035793|6.628310|5.352011|4.525223|6.737590|4.091969|7.086614|3.182832|0.080120|2.792328|2.374510|2.040677|1.881818|1.663379|1.574963|1.648998|1.876945|2.726564|0.052740|2.361144|0.068901|2.538153|0.064772|4.241655|3.466932|7.478007|2.888283|2.482114|2.144313|2.095432|2.325890|2.769334|0.084818|0.092003|0.102070|0.107953|0.132078|0.132469|0.098747|0.200158|0.140870|0.500000| |2.659502|3.031219|2.800432|3.981994|4.708882|0.119313|7.534474|14.063603|12.644328|17.641104|8.809558|6.902683|6.795559|5.427902|3.274723|5.251599|2.869089|0.070781|2.588322|2.336528|2.007480|1.803199|1.614529|1.570513|1.682180|1.916381|2.873114|0.057004|2.471560|0.075114|2.631408|0.065010|4.211911|3.578588|7.197146|3.263442|2.746187|2.428317|2.458838|2.814170|3.328430|0.064577|0.073961|0.074801|0.079154|0.079321|0.080596|0.067139|0.116134|0.110611|0.180333|0.500000| |2.517768|2.901915|2.849145|3.654560|4.334281|0.121248|6.031549|9.416204|12.536651|17.552766|8.832552|5.486378|7.152592|4.833367|3.082036|5.191097|2.650697|0.067418|2.338881|2.098569|1.825957|1.664099|1.497140|1.450098|1.538948|1.736253|2.570187|0.050877|2.183106|0.064373|2.373938|0.060219|3.798851|3.263849|6.863556|2.940277|2.464806|2.190008|2.231501|2.569734|3.037498|0.062053|0.067844|0.071736|0.074822|0.082616|0.083794|0.068209|0.110277|0.095329|0.219459|0.302733|0.500000| |2.822197|3.082833|3.025199|3.877344|3.928720|0.107254|4.896672|7.478299|9.622864|8.920638|17.482972|8.907362|8.921612|4.215051|2.657194|4.573108|2.264660|0.057891|2.096643|1.870579|1.656570|1.543459|1.395793|1.339483|1.399983|1.559786|2.258468|0.044511|1.889666|0.055761|1.973922|0.050656|3.100767|2.487558|4.990390|2.243360|1.982448|1.786870|1.787551|1.974335|2.242589|0.068512|0.075413|0.084953|0.075719|0.092949|0.083996|0.072271|0.129909|0.101773|0.197888|0.174178|0.211733|0.500000| |2.802722|2.947492|2.628802|3.818539|3.784677|0.092906|5.039471|9.442719|7.502126|6.783570|8.781252|17.535101|6.833167|4.410656|2.659466|4.324401|2.366149|0.058726|2.282812|2.081334|1.832150|1.679357|1.518416|1.472019|1.557132|1.745367|2.560664|0.050867|2.148415|0.065880|2.163021|0.054077|3.334854|2.615288|4.960003|2.430941|2.189695|1.990287|1.984040|2.161295|2.414791|0.067151|0.080443|0.081640|0.075119|0.076083|0.071527|0.064036|0.116571|0.114514|0.126886|0.204177|0.140377|0.173478|0.500000| |2.817831|2.870597|2.640754|3.577602|3.349455|0.085534|4.069125|6.951774|6.430043|5.471158|8.796392|17.553730|6.898707|3.814557|2.367005|3.975044|2.083673|0.052699|2.016704|1.829619|1.635282|1.527078|1.389167|1.338149|1.397918|1.548664|2.235190|0.044267|1.850771|0.055619|1.865718|0.047528|2.861218|2.219119|4.245794|2.049773|1.865875|1.706440|1.697731|1.835081|2.032251|0.067870|0.079107|0.085599|0.071249|0.079205|0.070543|0.064691|0.115903|0.103292|0.120478|0.140531|0.123097|0.213675|0.301412|0.500000| |3.625925|3.821562|3.355634|5.278340|4.766225|0.115259|6.080919|9.868243|9.397463|6.808890|8.744812|17.568746|5.477092|5.090930|2.998265|4.951568|2.548923|0.063229|2.457810|2.169357|1.901605|1.763617|1.579475|1.507055|1.576214|1.772338|2.562857|0.050146|2.171395|0.065653|2.187938|0.055165|3.452965|2.662319|5.154097|2.378566|2.149190|1.920683|1.879806|2.030208|2.299080|0.083710|0.101976|0.109390|0.092563|0.099884|0.088989|0.079376|0.178969|0.155295|0.166484|0.171192|0.138949|0.212298|0.301680|0.302090|0.500000| |2.105305|2.285117|2.246703|2.738721|2.929905|0.080563|3.656587|6.178145|6.368245|6.937336|8.744144|5.477778|17.543358|3.424883|2.236100|3.815645|1.998304|0.051609|1.837879|1.692365|1.511605|1.397358|1.278919|1.247400|1.316046|1.455818|2.132960|0.042721|1.757604|0.051865|1.858238|0.047744|2.841014|2.338464|4.622536|2.211688|1.936126|1.785672|1.841892|2.077100|2.318227|0.052650|0.057355|0.061370|0.058756|0.066356|0.063807|0.055491|0.084042|0.074039|0.122212|0.167100|0.215627|0.213421|0.139429|0.140965|0.122350|0.500000| |2.159494|2.269317|2.190956|2.714286|2.752908|0.073840|3.361122|5.771372|5.582621|5.510841|8.782544|6.909098|17.563646|3.223786|2.081400|3.540168|1.866380|0.048009|1.760628|1.624580|1.461040|1.359791|1.248216|1.215277|1.276130|1.404722|2.042921|0.040899|1.673200|0.049698|1.729293|0.044410|2.620835|2.096935|4.054685|1.984733|1.778086|1.649028|1.682941|1.857383|2.042226|0.053747|0.059489|0.063985|0.057808|0.065243|0.060644|0.054426|0.084571|0.075189|0.106985|0.139453|0.144071|0.213130|0.169972|0.207535|0.140906|0.301907|0.500000| |2.142377|2.297190|2.178038|2.800919|2.968828|0.078269|3.833049|6.938187|6.230275|6.879043|8.769185|6.810446|17.527027|3.547413|2.266505|3.773565|2.056528|0.052344|1.923297|1.787731|1.591761|1.459837|1.335888|1.309597|1.390317|1.542453|2.276592|0.045822|1.878175|0.056420|1.954372|0.049539|2.964445|2.419303|4.662053|2.323543|2.049101|1.899138|1.960402|2.199847|2.433730|0.053163|0.059720|0.061975|0.059583|0.063298|0.061143|0.053893|0.084397|0.078695|0.111346|0.200898|0.176219|0.173531|0.201870|0.168783|0.139294|0.301289|0.301889|0.500000| |3.783113|4.877443|3.942769|6.265196|9.318282|0.187979|8.144497|16.257627|7.099389|4.069119|3.286234|3.372790|2.715397|25.959020|9.452267|10.890085|7.450072|0.148188|6.405141|4.798032|3.596831|3.057144|2.534999|2.371711|2.558008|3.148135|4.741223|0.087129|4.722446|0.144913|4.924323|0.113492|9.864130|6.674914|11.979637|4.772025|4.261638|3.317677|2.959585|3.118243|3.844182|0.091268|0.108329|0.093905|0.149049|0.097444|0.116694|0.093944|0.136037|0.180531|0.127525|0.120011|0.100399|0.085142|0.095917|0.079518|0.105548|0.071418|0.067328|0.076129|0.500000| |3.640233|4.305426|3.454366|4.431227|4.885276|0.116257|4.091124|7.767218|4.343975|2.699420|2.364944|2.483800|2.044686|10.125815|7.306986|9.497475|8.790268|0.174283|17.554836|9.120455|5.952415|4.845906|3.650166|3.238298|3.443660|4.492964|6.296592|0.106794|6.547157|0.186324|5.481256|0.131708|9.137950|4.800148|7.627498|3.884986|4.063521|3.260715|2.747344|2.690709|3.084005|0.093431|0.108669|0.086083|0.148165|0.082793|0.098491|0.089098|0.098666|0.132463|0.083341|0.078312|0.068868|0.062738|0.070697|0.061651|0.076670|0.054093|0.052416|0.057413|0.218803|0.500000| |3.391369|3.992560|3.435672|3.713778|4.006563|0.103909|3.268390|5.862849|3.678992|2.302837|2.043747|2.104128|1.790039|7.487444|6.762315|10.304913|8.768327|0.220724|17.612242|8.909726|6.828059|6.295418|4.366476|3.589679|3.617499|4.599677|5.863946|0.098122|5.466282|0.135198|4.942439|0.134982|7.696937|4.118840|6.704896|3.376966|3.590443|2.951002|2.486028|2.411547|2.722005|0.092106|0.097007|0.079725|0.142066|0.080552|0.099695|0.092939|0.085248|0.103925|0.073170|0.065281|0.060229|0.055337|0.058835|0.053146|0.064334|0.048031|0.046274|0.049731|0.142671|0.302418|0.500000| |2.570779|2.758801|2.475064|2.559471|2.628736|0.069474|2.302472|4.189079|2.720505|1.778155|1.624876|1.682350|1.462302|4.353497|3.571201|5.949714|4.320090|0.121992|6.021535|6.564537|8.713803|17.747090|9.019356|5.589413|4.815840|5.495644|5.830901|0.098123|4.421987|0.107282|3.715956|0.108070|4.900448|2.857141|4.628434|2.590222|2.884458|2.567444|2.170163|2.035456|2.182064|0.072472|0.074573|0.062339|0.090764|0.060472|0.069846|0.069527|0.062092|0.072908|0.054284|0.050574|0.046985|0.044073|0.047345|0.043429|0.050499|0.039327|0.038351|0.040849|0.087258|0.141453|0.208453|0.500000| |1.964138|2.044831|1.882778|1.934274|1.973877|0.052687|1.798999|3.295173|2.183421|1.466288|1.358978|1.404499|1.247586|3.117194|2.475430|4.198524|2.889765|0.082367|3.525491|4.103994|5.629751|9.041745|17.758045|8.775101|5.583411|4.926384|5.014054|0.089913|3.351130|0.083096|2.867423|0.084618|3.593594|2.217813|3.604916|2.119344|2.388774|2.254481|1.936744|1.783615|1.847703|0.055588|0.056902|0.049097|0.064150|0.047358|0.052864|0.053104|0.048421|0.055226|0.043565|0.041827|0.039079|0.036842|0.039714|0.036702|0.041507|0.033668|0.032975|0.035015|0.063666|0.088729|0.106881|0.215335|0.500000| |1.669985|1.744700|1.611785|1.705776|1.769196|0.047107|1.665236|3.104172|2.033253|1.391616|1.287867|1.326473|1.198848|2.774724|2.164943|3.613245|2.556766|0.071910|2.978163|3.688423|4.966001|5.659402|8.806715|17.722496|9.087856|5.706241|5.710314|0.108499|3.396284|0.084356|2.873254|0.084715|3.404178|2.142028|3.421753|2.143886|2.491903|2.470040|2.109826|1.884217|1.893426|0.046420|0.048479|0.042480|0.053570|0.041183|0.045527|0.044727|0.043201|0.048981|0.040182|0.040152|0.037260|0.034617|0.037909|0.034675|0.038694|0.032411|0.031652|0.033972|0.058132|0.076257|0.083598|0.124055|0.215750|0.500000| |1.671226|1.774334|1.628390|1.788048|1.899975|0.050187|1.830404|3.487981|2.217550|1.531705|1.400285|1.436937|1.310007|3.018775|2.331350|3.784895|2.838711|0.078030|3.229111|4.299983|5.500060|4.816529|5.520400|8.942698|17.753514|8.761153|9.227074|0.192581|4.539312|0.110868|3.680914|0.106810|4.040938|2.535028|3.920026|2.655306|3.264465|3.387953|2.779061|2.370615|2.325332|0.045556|0.048629|0.042746|0.054144|0.041794|0.046404|0.044357|0.045249|0.051638|0.043251|0.044852|0.041038|0.037215|0.041542|0.037259|0.041609|0.035417|0.034327|0.037501|0.065042|0.082982|0.084729|0.105233|0.123151|0.216845|0.500000| |1.713839|1.898148|1.763283|2.022743|2.304160|0.061208|2.347708|4.619331|2.836604|2.000499|1.751672|1.740775|1.657246|3.679802|2.819063|4.425614|3.492590|0.093194|3.340234|4.056448|3.755698|2.970730|2.774123|3.070965|3.866952|4.564740|8.637962|0.216410|5.726736|0.146087|6.441999|0.168378|6.099057|4.240493|6.010102|5.626699|8.826307|17.711543|8.916385|5.617633|4.896772|0.045372|0.049038|0.044529|0.056715|0.045755|0.051685|0.046475|0.051582|0.057576|0.054117|0.060250|0.054560|0.045670|0.050993|0.044157|0.049430|0.045358|0.042370|0.048238|0.082869|0.086724|0.080270|0.073688|0.066857|0.076369|0.111688|0.500000| |1.529186|1.685088|1.588671|1.825597|2.081708|0.055878|2.206853|4.339777|2.756659|2.018163|1.766952|1.724565|1.718134|3.165996|2.359448|3.782480|2.702952|0.072168|2.506303|2.784077|2.567649|2.165295|2.046426|2.206902|2.598448|2.891587|4.843211|0.111772|3.523303|0.097952|4.014234|0.104248|4.592493|3.613755|5.481347|5.003481|5.686461|8.934989|17.727211|8.926368|5.641604|0.040279|0.043447|0.040445|0.049130|0.041988|0.046578|0.041618|0.047653|0.051639|0.052368|0.061393|0.056075|0.045726|0.050824|0.043861|0.047913|0.047548|0.043747|0.050647|0.070967|0.067350|0.061723|0.055671|0.051077|0.056782|0.075217|0.216107|0.500000| 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