Version2.1 2020-12-28T18:39:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 13-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccsc1CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H](C(C)C)Oc4ccccc4 C39677327 RHF 6-31G(d) (6D,7F) Cc1ccsc1CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H](C(C)C)Oc4ccccc4 C01[X(C26H36N3O3S1)] 201 C1 571 CC([C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1sccc1C)Oc1ccccc1)C CC([C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1sccc1C)Oc1ccccc1)C CC(C)[C@@H](Oc1ccccc1)C(=O)N2C[C@H](C(=O)NCc3sccc3C)C4(CC[NH2+]CC4)C2 InChIKey=MVASSIXTVBFHLW-FYYLOGMGSA-O InChI=1S/C26H35N3O3S/c1-18(2)23(32-20-7-5-4-6-8-20)25(31)29-16-21(26(17-29)10-12-27-13-11-26)24(30)28-15-22-19(3)9-14-33-22/h4-9,14,18,21,23,27H,10-13,15-17H2,1-3H3,(H,28,30)/p+1/t21-,23-/m1/s1 InChI=1/C26H35N3O3S/c1-18(2)23(32-20-7-5-4-6-8-20)25(31)29-16-21(26(17-29)10-12-27-13-11-26)24(30)28-15-22-19(3)9-14-33-22/h4-9,14,18,21,23,27H,10-13,15-17H2,1-3H3,(H,28,30)/p+1/t21-,23-/m1/s1/fC26H36N3O3S/h27-28H/q+1 Cc1ccsc1CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H](C(C)C)Oc4ccccc4 C01[X(C26H36N3O3S1)] 201 C01 571 CC([C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1sccc1C)Oc1ccccc1)C CC([C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)NCC1=[C]([CH]=CS1)C)O[C]1[CH][CH][CH][CH][CH]1)C CC(C)[C@@H](O[C]1[CH][CH][CH][CH][CH]1)C(=O)N2C[C@H](C(=O)NCc3sccc3C)C4(CC[NH2]CC4)C2 InChIKey=ZKNNBGJCLVAHIN-FYYLOGMGSA-N InChI=1S/C26H36N3O3S/c1-18(2)23(32-20-7-5-4-6-8-20)25(31)29-16-21(26(17-29)10-12-27-13-11-26)24(30)28-15-22-19(3)9-14-33-22/h4-9,14,18,21,23H,10-13,15-17,27H2,1-3H3,(H,28,30)/t21-,23-/m1/s1 InChI=1/C26H36N3O3S/c1-18(2)23(32-20-7-5-4-6-8-20)25(31)29-16-21(26(17-29)10-12-27-13-11-26)24(30)28-15-22-19(3)9-14-33-22/h4-9,14,18,21,23H,10-13,15-17,27H2,1-3H3,(H,28,30)/t21-,23-/m1/s1/f/h28H 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17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 16 6 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 1 6 6 6 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 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 1.00783 1.00783 11904.7681 24010.1643 29370.3051 0.99999 -0.00011 -0.00344 0.00007 0.99990 -0.01382 0.00344 0.01382 0.99990 1 0.00728 0.00361 0.00295 0.15160 0.07517 0.06145 7.15 17.32 19.99 31.60 44.76 56.37 64.33 76.02 88.04 107.09 122.58 127.80 137.03 148.02 181.55 222.43 232.92 238.46 263.85 267.59 313.08 341.12 345.40 360.07 377.74 390.07 394.35 427.19 432.87 462.37 472.67 482.33 512.57 531.52 559.93 614.72 621.99 625.45 650.05 666.29 674.26 676.61 699.75 724.82 758.28 788.40 827.37 836.44 846.40 875.67 934.45 956.66 972.16 995.58 1016.03 1070.52 1120.08 1124.09 1153.21 1192.17 1203.84 1217.05 1246.48 1254.71 1261.01 1279.17 1287.58 1301.70 1333.16 1349.09 1352.68 1361.25 1374.87 1378.41 1431.04 1463.42 1472.88 1474.59 1501.34 1504.35 1510.09 1520.87 1536.34 1555.85 1567.06 1571.52 1586.19 1589.29 1603.17 1612.46 1617.81 1637.27 1637.50 1657.36 1670.74 1684.00 1688.14 1693.30 1701.88 1744.32 1757.60 1767.42 1780.62 1787.90 1841.11 1847.44 1848.58 1854.11 1880.84 1902.01 1914.60 1916.56 1929.42 1953.36 1956.37 1967.05 1987.60 2000.14 2003.34 2038.52 2049.28 2086.42 2090.18 2100.11 2103.06 2127.00 2146.49 2162.68 2172.03 2180.92 2188.77 2209.45 2217.84 2223.11 2238.07 2243.18 2247.76 2255.30 2262.83 2269.44 2275.82 2301.60 2324.48 2344.83 2345.03 2349.05 2349.89 2359.93 2360.32 2365.64 2375.03 2383.35 2385.33 2387.88 2399.35 2402.02 2414.24 2432.22 2456.47 2565.71 2587.38 2592.99 2629.28 2774.82 2784.92 4595.21 4596.45 4605.19 4609.17 4622.32 4656.13 4665.96 4674.31 4684.27 4689.61 4697.43 4700.37 4710.41 4711.25 4719.74 4725.13 4730.74 4736.80 4751.33 4752.86 4761.14 4773.46 4792.23 4796.36 4804.97 4822.54 4828.66 4844.79 4861.23 4877.46 4883.47 4901.06 4956.90 5278.15 5369.78 5582.57 0.641183 0.671993 0.672937 0.572863 -1790.155345 -1790.124535 -1790.123591 -1790.223666 3.356532D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE Cc1ccsc1CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H](C(C)C)Oc4ccccc4 C39677327 RHF 6-31G(d) (6D,10F) C1 470.247739 |X|Y|Z| 70.558747 44.649095 106.353630 69.455282 27 6 7 8 16 22 3 1 1 |36.858105| |12.643279|36.858105| |7.418559|13.180859|36.858105| |5.102435|8.176247|14.212620|36.858105| |4.703993|7.413527|7.482746|11.049403|388.023441| |7.436870|14.098833|8.221974|7.674614|77.633485|36.858105| |5.927963|7.387950|5.031447|4.829913|48.317995|12.681825|36.858105| |4.579872|5.411371|4.147914|4.154853|41.148010|7.804611|13.036858|53.358707| |3.515296|3.957588|3.248546|3.329171|31.974101|5.222920|7.731407|19.322842|36.858105| |3.221194|3.552083|2.946790|3.017159|28.503309|4.581527|6.787096|11.571196|15.813820|73.516695| |2.936421|3.254778|2.816223|2.920762|26.635541|4.007819|4.999136|10.715695|12.457304|14.129578|36.858105| |3.075118|3.364468|2.908793|2.967236|26.117771|4.019603|4.802618|10.332047|8.901597|10.548794|17.562668|0.500000| |2.631527|3.013215|2.734399|2.962461|27.496721|3.708715|4.241499|8.013488|7.575752|10.596055|12.269935|0.243337|36.858105| |2.257008|2.523516|2.311848|2.487337|22.363949|3.027219|3.478829|6.000152|5.819265|9.682092|8.013844|0.163850|13.065416|53.358707| |2.226060|2.419702|2.172314|2.277719|20.100993|2.871093|3.437044|5.864135|6.061098|11.044893|7.962557|0.158986|7.896500|17.879228|36.858105| |2.456711|2.625933|2.308990|2.369766|20.666715|3.095331|3.787845|6.920354|7.350038|11.667623|12.278049|0.242099|7.816262|11.089441|12.392099|36.858105| |2.467699|2.544702|2.199146|2.202020|18.764532|2.938575|3.693385|6.336092|6.370231|11.413098|7.319568|0.173501|4.966468|6.955395|7.411804|12.391940|36.858105| |2.075730|2.117231|1.870393|1.874442|15.564647|2.382271|2.865875|4.619226|4.258357|7.878830|4.825281|0.121133|3.844214|5.768453|6.042176|7.492278|12.505860|36.858105| |1.924460|1.961909|1.759570|1.766062|14.420505|2.174475|2.529377|4.098462|3.608140|6.291379|4.359420|0.116609|3.630296|5.368198|5.119371|6.449916|7.662775|12.631055|53.358707| |1.754315|1.781214|1.611077|1.617119|13.067588|1.956024|2.245900|3.548593|3.058918|5.427048|3.567138|0.095537|3.105502|4.652230|4.301529|4.914703|5.665543|9.160114|25.687230|0.500000| |1.986172|2.000836|1.787108|1.776314|14.351970|2.194213|2.542722|4.123728|3.528270|6.007311|4.219190|0.118665|3.425355|4.810317|4.351126|5.754875|7.015898|9.205128|25.681340|0.328417|0.500000| |1.908511|1.985370|1.803048|1.836695|15.110437|2.218639|2.537736|4.202921|3.717023|6.263180|4.890942|0.130440|4.334147|6.614436|6.046571|7.422160|6.468230|7.571985|17.196677|0.254506|0.255508|36.858105| |2.200624|2.326235|2.092907|2.142995|18.007167|2.649863|3.065176|5.383723|4.907643|7.692982|7.603761|0.205196|6.222238|8.684671|7.510309|12.311523|7.618958|6.517398|10.464957|0.157694|0.194763|12.515846|36.858105| |1.983174|2.213175|2.079141|2.258905|19.789562|2.596983|2.869366|4.664834|4.166429|7.195457|5.139080|0.118260|7.526204|19.088304|7.847519|5.348689|3.872457|3.501441|4.595692|0.084788|0.083882|4.176536|4.880463|36.858105| |1.799696|1.977482|1.859377|1.999095|17.143896|2.285164|2.530372|3.996574|3.542267|6.375981|4.178736|0.098359|5.283002|11.628160|7.042298|4.701297|3.650344|3.508963|4.604606|0.087323|0.082261|4.128914|4.388040|15.864003|73.516695| |1.934926|2.190042|2.112382|2.342135|20.276565|2.544878|2.689000|4.284194|3.570522|5.985480|4.249568|0.104617|6.346676|10.403696|4.968201|4.030828|3.078282|2.785957|3.747597|0.070081|0.070633|3.339742|3.894485|12.406588|14.248853|36.858105| |2.110490|2.426279|2.351423|2.640123|23.174381|2.843875|2.956899|4.795618|3.895988|6.272804|4.689156|0.117757|7.562945|10.014019|4.720719|4.109530|3.107260|2.730721|3.675313|0.067940|0.070534|3.249529|3.957706|8.750193|10.401798|17.578578|0.500000| |1.828940|2.079080|2.034348|2.282451|19.631647|2.403726|2.500085|3.804195|3.098142|5.389740|3.404873|0.084307|4.626673|7.281396|3.969986|3.230287|2.623328|2.407212|3.175389|0.060404|0.060115|2.706234|3.033399|7.537443|11.354321|12.431558|0.246260|36.858105| |1.731955|1.972777|1.976668|2.239027|18.634034|2.236366|2.252136|3.365675|2.633218|4.513327|2.858394|0.073553|3.719750|5.344830|3.078348|2.667878|2.222814|2.051887|2.748918|0.052673|0.052878|2.319213|2.579915|4.905668|7.711815|7.561682|0.192594|12.445972|36.858105| |1.996678|2.304561|2.244650|2.551802|22.758682|2.722353|2.844856|4.228921|3.445451|6.160801|3.553151|0.085966|4.731970|7.185785|4.042778|3.267270|2.705935|2.428698|3.101134|0.058675|0.058926|2.560935|2.901483|6.364300|9.632938|7.538834|0.190283|12.428013|7.550811|36.858105| |1.739793|1.936808|1.882012|2.060150|17.180107|2.195735|2.297254|3.623678|2.961493|4.959131|3.554867|0.091530|4.792885|7.552995|4.122222|3.523716|2.765460|2.594177|3.625267|0.068896|0.068509|3.295675|3.677908|7.985069|11.972044|13.516352|0.259181|8.005707|6.686891|5.089288|73.516695| |1.744007|1.919573|1.853544|2.000237|16.465535|2.156174|2.265178|3.635531|2.964291|4.861165|3.712279|0.098836|4.806787|7.231895|4.132216|3.757373|2.911199|2.751554|4.000254|0.075615|0.076058|3.795272|4.255912|6.579117|10.071110|8.014244|0.200122|5.198251|4.647187|3.892561|24.859508|36.858105| |1.626298|1.760087|1.685110|1.791146|14.598836|1.960497|2.088064|3.328991|2.748327|4.591704|3.429154|0.091296|4.096177|6.479209|4.099043|3.733082|2.963202|2.929799|4.411918|0.085014|0.082427|4.333339|4.448328|5.701670|9.972661|5.669977|0.138124|4.153226|3.659876|3.287021|14.320498|13.734001|36.858105| |1.589777|1.698847|1.622668|1.703387|13.664765|1.868367|1.987018|3.170697|2.582288|4.272995|3.231893|0.089338|3.619211|5.385454|3.623273|3.555822|2.905433|2.922668|4.624750|0.089833|0.088169|4.616369|4.545697|4.277421|7.432706|4.170132|0.109216|3.231109|2.951342|2.702943|9.325774|7.948081|13.739311|36.858105| |1.658162|1.771466|1.699198|1.779067|14.119555|1.933251|2.030726|3.261334|2.593310|4.192670|3.265716|0.094160|3.610610|4.976618|3.303836|3.425830|2.809487|2.745330|4.344008|0.082958|0.086023|4.209331|4.441705|3.756644|6.210833|3.820927|0.106590|2.977374|2.806733|2.542088|8.185831|6.863353|7.909141|13.729121|36.858105| |1.783050|1.934004|1.872007|1.983254|15.786975|2.119871|2.192385|3.547500|2.772466|4.395575|3.507198|0.102453|4.070522|5.298123|3.322845|3.444841|2.765037|2.597207|3.949002|0.074154|0.078830|3.710788|4.248973|3.982256|6.241607|4.351173|0.128623|3.303588|3.188255|2.795506|9.275129|7.940886|6.865568|7.948700|13.738377|36.858105| |1.834063|2.024900|1.969357|2.125557|17.273980|2.256016|2.328217|3.769011|2.976331|4.737325|3.755676|0.105241|4.778363|6.312417|3.669054|3.596373|2.808938|2.596998|3.806115|0.071237|0.074504|3.550059|4.157576|5.041700|7.517354|6.147961|0.185602|4.310173|4.148745|3.456020|14.151866|13.728601|7.915298|6.872998|7.916029|13.736927|36.858105| |17.552521|8.895265|6.752067|4.685252|29.299895|5.790390|4.742220|5.504500|3.173154|5.099551|2.764507|0.082204|2.489862|2.902512|2.094498|2.330063|2.329368|1.979773|2.540075|0.047356|0.053914|1.857065|2.136332|1.885954|3.045047|1.854447|0.056313|1.742665|1.665300|1.874134|2.999475|1.706347|1.592717|1.570472|1.653469|1.781114|1.812965|0.500000| |17.611558|8.782904|5.474177|4.235451|30.489286|6.931678|6.680021|6.956281|3.905862|6.383400|3.183506|0.092620|2.751675|3.222836|2.382711|2.675953|2.753734|2.286474|2.851429|0.052763|0.060370|2.048602|2.365669|2.052765|3.321491|1.968024|0.059267|1.844623|1.724969|2.011214|3.142399|1.780579|1.673813|1.640921|1.704968|1.817785|1.861533|0.302198|0.500000| |17.550570|8.889183|6.562436|4.632065|29.500111|5.907984|4.902982|5.162139|3.058508|5.148975|2.573066|0.073617|2.341925|2.793873|2.033692|2.205914|2.233837|1.912074|2.407265|0.045176|0.050481|1.745469|1.980877|1.827096|2.976692|1.784694|0.053572|1.709210|1.624946|1.872767|2.863011|1.604736|1.503023|1.466562|1.520330|1.625545|1.674794|0.302554|0.302206|0.500000| |6.731808|8.578975|17.736385|8.937791|37.786779|5.728557|4.015342|4.664872|2.777368|4.530521|2.464368|0.071155|2.391272|2.797298|1.944783|2.067544|1.987380|1.715484|2.213677|0.041624|0.046058|1.660110|1.903212|1.868995|3.000020|1.903522|0.058383|1.839034|1.803812|2.004172|3.058365|1.702058|1.557324|1.509783|1.585115|1.738160|1.811608|0.189076|0.136464|0.179676|0.500000| |4.049223|5.658606|8.785201|17.788040|55.339072|5.399649|3.842403|4.701824|2.891618|4.713608|2.615795|0.073653|2.718071|3.156388|2.105912|2.162751|1.999437|1.727673|2.234504|0.042014|0.045743|1.717431|1.984797|2.150076|3.397305|2.271180|0.071008|2.244864|2.251449|2.492044|3.582834|1.945368|1.734683|1.646403|1.720945|1.925897|2.071819|0.107167|0.095726|0.105742|0.204237|0.500000| |4.746502|5.763328|4.354492|4.388372|45.182365|8.882555|17.635303|12.590288|7.451768|13.781330|4.732471|0.119057|4.187607|4.883693|3.571990|3.737339|3.654833|2.872489|3.385852|0.061790|0.068301|2.491516|2.959015|2.980984|4.710715|2.759747|0.082987|2.620946|2.327582|3.073762|4.133008|2.251789|2.080255|1.954177|1.966813|2.110025|2.269118|0.107483|0.144071|0.117761|0.098640|0.100218|0.500000| |6.761417|6.972535|4.615268|4.153062|36.423677|8.938741|17.616967|12.381990|6.374713|10.564044|4.389467|0.120282|3.611728|4.177733|3.140189|3.532676|3.646085|2.857833|3.413691|0.062092|0.070915|2.452150|2.902278|2.560831|4.096116|2.381038|0.071616|2.216049|2.007768|2.478706|3.691166|2.068558|1.938029|1.867542|1.909274|2.033486|2.123405|0.144871|0.245751|0.154529|0.107030|0.093739|0.304179|0.500000| |4.649809|5.539725|4.357876|4.347575|41.029928|7.422734|9.032219|26.064562|9.389610|10.857494|7.526732|0.237734|5.858039|5.711093|3.963212|4.786164|4.248867|3.180918|3.996762|0.070630|0.083273|3.068465|3.996127|3.318061|5.011570|3.139237|0.099774|2.742935|2.474766|2.968160|4.796982|2.754570|2.496659|2.406052|2.529604|2.798182|2.940542|0.119334|0.139789|0.104242|0.100294|0.100510|0.182124|0.198290|0.500000| |2.503936|2.851995|2.646528|2.870470|25.575372|3.397701|3.694315|6.750302|5.677657|8.078855|8.749931|0.227952|17.609848|12.310883|6.028080|6.361002|4.271708|3.469053|4.713091|0.082994|0.092302|4.275501|6.170459|6.732365|8.580309|6.546836|0.235738|4.515202|3.819449|4.288951|9.435291|5.709093|4.594834|4.107598|4.283153|5.141929|6.198708|0.067114|0.071877|0.061799|0.065016|0.074236|0.098590|0.089174|0.147794|0.500000| |2.815379|3.344261|3.059402|3.419756|33.765665|4.268626|4.762336|8.713857|7.546296|10.763832|8.693471|0.190095|17.597501|12.250949|6.069291|5.738304|4.175667|3.294691|4.164382|0.074325|0.081026|3.494502|4.624475|6.457917|8.332711|6.117385|0.213587|4.886235|3.972448|5.443342|7.879341|4.189509|3.516742|3.098648|3.107775|3.544394|4.208227|0.073049|0.080553|0.069616|0.072967|0.086700|0.133307|0.107479|0.172943|0.302264|0.500000| |1.981503|2.128811|1.936124|2.024204|17.405832|2.469736|2.881911|4.727111|4.533438|8.341309|5.670127|0.126410|5.812851|12.531365|17.665224|8.589358|6.271000|6.160966|7.487091|0.133264|0.123337|6.787822|7.011962|7.560539|14.483771|4.736064|0.118842|3.829661|2.980157|3.730901|7.433343|4.240056|4.496883|3.936240|3.419554|3.304545|3.606688|0.052203|0.058629|0.050757|0.048709|0.052569|0.082970|0.074519|0.090628|0.137861|0.130380|0.500000| |2.287213|2.486510|2.212518|2.316254|20.676105|2.981403|3.661482|6.017113|6.374060|13.500196|6.824895|0.138009|6.479964|12.345899|17.609446|8.792522|7.046720|5.700375|6.066003|0.107188|0.107273|4.750839|5.496440|6.376342|10.731986|4.354342|0.115404|3.763337|2.925843|4.083168|6.343145|3.451924|3.391783|3.021279|2.785827|2.820265|3.107880|0.058957|0.068352|0.058489|0.054815|0.059180|0.109936|0.092964|0.108067|0.136409|0.157122|0.302109|0.500000| |2.583555|2.665392|2.275916|2.275237|19.631483|3.118676|4.065613|6.713727|6.980329|14.649431|6.592442|0.150356|4.669086|6.568310|6.880234|8.787969|17.649360|8.990468|7.612365|0.126934|0.143634|4.855761|5.518603|3.703894|6.249555|2.959871|0.082819|2.599007|2.193595|2.764266|4.638285|2.668612|2.676307|2.575295|2.482522|2.476614|2.561289|0.066526|0.080789|0.065435|0.056824|0.057035|0.115676|0.112426|0.118405|0.108215|0.115169|0.157788|0.214827|0.500000| |2.642503|2.667825|2.278101|2.242124|18.787974|3.030141|3.804014|6.569575|6.080429|10.089859|6.776957|0.183461|4.475951|5.809868|5.445398|8.791422|17.493223|8.898227|9.404892|0.144245|0.205963|5.691120|6.843211|3.330899|5.517102|2.776241|0.079404|2.378891|2.063672|2.446298|4.496687|2.695030|2.722254|2.734217|2.723043|2.695235|2.678782|0.069915|0.083164|0.065750|0.057420|0.056213|0.100515|0.107529|0.125855|0.111471|0.106748|0.131521|0.143498|0.303782|0.500000| |1.944706|2.004511|1.788871|1.810975|15.103882|2.265148|2.700456|4.276303|3.961126|7.597800|4.425458|0.107615|3.775029|6.044582|6.630789|6.728887|8.749682|17.628684|12.421863|0.224414|0.181172|6.923740|5.746079|3.776663|7.019441|2.918399|0.077564|2.546108|2.137024|2.566524|4.819218|2.825521|3.044970|2.961561|2.701303|2.545158|2.592266|0.051310|0.058898|0.050163|0.045563|0.046654|0.076818|0.073805|0.081182|0.093619|0.090651|0.207630|0.179032|0.213025|0.173073|0.500000| |2.033890|2.038502|1.795311|1.780089|14.577674|2.261680|2.714637|4.236654|3.757209|7.056779|4.000732|0.103534|3.228364|4.705609|4.596562|5.458500|8.767960|17.626565|12.363813|0.222881|0.224757|5.570890|4.896460|2.939039|5.257505|2.414337|0.066060|2.133485|1.846579|2.170146|4.021286|2.381795|2.522844|2.538125|2.412233|2.288076|2.272821|0.053914|0.062660|0.052420|0.046040|0.045557|0.075506|0.076960|0.080910|0.081844|0.079337|0.128836|0.126915|0.212641|0.215269|0.301311|0.500000| |1.800125|1.886179|1.725610|1.772805|14.645992|2.116122|2.410603|3.922522|3.494296|6.078014|4.453222|0.113618|4.221769|7.011194|6.575177|6.622502|5.665062|6.886541|12.413742|0.225099|0.181125|17.649228|8.741212|4.661763|8.707932|3.575404|0.093163|2.906026|2.444159|2.717956|6.318291|4.016510|4.776698|4.831020|4.092560|3.584652|3.553277|0.048392|0.053348|0.046081|0.044120|0.046301|0.066933|0.064221|0.078469|0.113633|0.095711|0.238975|0.141903|0.126890|0.131548|0.206562|0.142372|0.500000| |1.793115|1.855945|1.702432|1.730492|13.997042|2.044347|2.290486|3.739262|3.178641|5.303017|4.078295|0.113995|3.739035|5.496882|4.603415|5.431453|4.883169|5.568460|12.348860|0.221691|0.225119|17.630932|8.782652|3.641955|6.408787|3.068540|0.083403|2.502819|2.196814|2.332756|5.584820|3.728708|4.386950|5.091908|4.722020|3.926527|3.566692|0.048956|0.053116|0.045642|0.043878|0.045237|0.061964|0.061751|0.077250|0.106915|0.085697|0.140931|0.104728|0.107446|0.128571|0.142497|0.126418|0.301723|0.500000| |2.311388|2.411627|2.157817|2.179692|18.018937|2.707249|3.107523|5.496678|4.737393|7.172709|7.038468|0.225969|5.401127|6.778201|5.493229|8.783210|6.847551|5.707991|9.405881|0.144167|0.205119|8.920990|17.505502|3.951230|6.306496|3.371645|0.097945|2.692093|2.358726|2.598444|5.723319|3.735353|3.823124|4.074077|4.260434|4.136870|3.865864|0.063068|0.069368|0.057278|0.054740|0.055837|0.081092|0.082969|0.117341|0.155388|0.117030|0.140249|0.123044|0.139945|0.201707|0.132573|0.128305|0.173277|0.217011|0.500000| |2.117534|2.273549|2.082504|2.164379|18.188691|2.590567|2.912854|5.073849|4.481162|6.966909|6.930570|0.188499|6.946811|9.761790|6.998884|8.704984|5.508700|4.884558|7.639362|0.127320|0.143603|9.040481|17.603134|5.726428|8.756145|4.655823|0.131992|3.426377|2.907802|3.154433|8.016353|5.554854|5.720249|5.761494|5.642762|5.482310|5.428538|0.057339|0.062240|0.053027|0.052601|0.056226|0.078337|0.075253|0.106722|0.213498|0.138597|0.186055|0.140357|0.122857|0.139609|0.128582|0.107730|0.214413|0.213643|0.303925|0.500000| |1.687210|1.890345|1.841389|2.037287|17.241963|2.163215|2.272535|3.427582|2.817701|5.005211|3.087031|0.076471|3.984802|6.600397|3.836389|3.061051|2.533400|2.386443|3.153521|0.060754|0.059129|2.679497|2.901063|7.067833|12.622526|9.027650|0.175730|17.573606|8.883108|8.884804|13.156936|4.906582|4.204428|3.226102|2.878308|3.079929|3.893892|0.044696|0.047499|0.044061|0.046597|0.055606|0.066437|0.056791|0.068187|0.107190|0.112524|0.107457|0.101710|0.069755|0.063321|0.071281|0.058864|0.081674|0.068942|0.070928|0.090092|0.500000| |1.849999|2.135271|2.165330|2.492902|20.768210|2.424227|2.393561|3.577645|2.738388|4.607436|2.956538|0.077081|3.880920|5.231443|2.991326|2.668633|2.219205|2.017179|2.702404|0.051433|0.052505|2.270949|2.575777|4.501704|6.813010|6.808374|0.204764|8.761710|17.513793|6.837382|10.372809|4.408611|3.413222|2.836531|2.787162|3.258606|4.242598|0.049517|0.050777|0.048003|0.054658|0.070243|0.068090|0.058729|0.073986|0.112815|0.118803|0.078675|0.078970|0.060822|0.057885|0.057597|0.050566|0.065324|0.059891|0.066403|0.080605|0.173150|0.500000| |1.647481|1.871397|1.886679|2.137906|17.580937|2.106607|2.110766|3.086627|2.397819|4.177303|2.535410|0.065297|3.177827|4.576187|2.745633|2.385025|2.034598|1.892464|2.516723|0.048572|0.048475|2.086288|2.285676|4.073734|6.714450|5.502912|0.141263|8.827266|17.561635|6.934593|8.853332|3.720495|3.097795|2.561561|2.432478|2.703874|3.362622|0.043896|0.045439|0.043305|0.048059|0.060177|0.061121|0.052557|0.062531|0.088725|0.094996|0.074244|0.074134|0.056362|0.052570|0.054937|0.047773|0.061151|0.054943|0.058407|0.070147|0.212808|0.301970|0.500000| |1.622269|1.826568|1.829661|2.046977|16.701367|2.045156|2.062493|3.098116|2.422425|4.131355|2.677416|0.069913|3.417581|4.940132|2.899514|2.547141|2.128054|1.992388|2.715495|0.052351|0.052275|2.313176|2.537311|4.561715|7.394973|6.892361|0.171334|8.760817|17.611682|5.484465|13.427535|5.166143|4.018938|3.199491|3.023252|3.434744|4.526426|0.043656|0.044961|0.042276|0.046770|0.057218|0.058605|0.051646|0.063844|0.100266|0.097651|0.079603|0.075304|0.057656|0.055111|0.057577|0.049824|0.067881|0.061729|0.064580|0.080332|0.212813|0.300873|0.301713|0.500000| |2.041071|2.335351|2.227716|2.491863|22.498609|2.786841|3.015054|4.502051|3.817638|7.095345|3.875300|0.090749|5.051294|8.292085|4.784948|3.652777|3.026780|2.706493|3.376211|0.063675|0.063430|2.764816|3.120807|7.135199|11.148571|6.788700|0.166665|8.700507|5.471254|17.554988|8.298017|3.726079|3.271672|2.705374|2.512376|2.703721|3.265525|0.052822|0.057802|0.053186|0.055105|0.066488|0.092317|0.073134|0.085602|0.120129|0.157918|0.121130|0.140208|0.087305|0.074407|0.080676|0.066724|0.082420|0.068652|0.076373|0.092433|0.212845|0.139125|0.141653|0.122249|0.500000| |1.872281|2.150435|2.119296|2.410675|20.966672|2.501284|2.576963|3.714299|2.962886|5.376433|2.983223|0.073549|3.743863|5.574356|3.359543|2.782305|2.383169|2.173092|2.775662|0.053095|0.052965|2.254773|2.498889|4.791451|7.845112|5.495173|0.140621|8.823814|6.966794|17.576594|7.474524|3.298158|2.859843|2.393002|2.254242|2.453142|2.963352|0.048813|0.052090|0.049322|0.052996|0.066232|0.077754|0.063099|0.072390|0.096028|0.117665|0.087997|0.095899|0.068117|0.060368|0.063874|0.054713|0.066440|0.057604|0.062962|0.074465|0.212011|0.171388|0.210695|0.141887|0.303092|0.500000| |2.202637|2.601128|2.552350|2.971596|27.402305|3.124536|3.197524|4.750146|3.761918|6.542336|3.804037|0.092760|5.170370|7.048277|3.914095|3.310512|2.731470|2.394625|3.056642|0.057337|0.058800|2.512251|2.918204|5.625096|8.112335|6.808095|0.202471|8.739921|6.798224|17.513700|8.279442|3.736251|3.100202|2.610877|2.523160|2.834321|3.494685|0.057241|0.061121|0.057018|0.062495|0.080579|0.095610|0.075680|0.093172|0.130119|0.180448|0.097083|0.109537|0.077624|0.069611|0.068983|0.059648|0.072478|0.063731|0.073859|0.087949|0.173030|0.201529|0.169172|0.139168|0.300428|0.302592|0.500000| |1.554162|1.677470|1.603495|1.703281|13.907991|1.870332|2.004383|3.153576|2.628472|4.499880|3.194298|0.083178|3.763443|6.278502|4.115556|3.566656|2.895916|2.932453|4.343526|0.085298|0.079622|4.161932|4.067235|5.825631|11.489816|5.447886|0.125468|4.236321|3.626444|3.341080|13.185312|8.974362|17.744769|8.842940|5.617970|4.950698|5.654048|0.042062|0.044513|0.040145|0.041195|0.045842|0.056139|0.051839|0.064674|0.111253|0.091340|0.131301|0.096176|0.073614|0.072730|0.087038|0.070279|0.134626|0.114341|0.095757|0.136902|0.126175|0.091019|0.086971|0.110098|0.093899|0.081609|0.084981|0.500000| |1.495738|1.582753|1.507793|1.571309|12.520199|1.729993|1.848138|2.916470|2.377580|3.992802|2.914596|0.080348|3.145878|4.735663|3.350411|3.294895|2.796746|2.916783|4.723447|0.094647|0.089484|4.636861|4.191819|3.717787|6.748037|3.511580|0.091229|2.845422|2.599043|2.431339|7.535852|5.653336|8.931809|17.703078|8.905222|5.647798|4.951400|0.041052|0.043030|0.038510|0.039145|0.042162|0.050640|0.048732|0.060988|0.095778|0.075676|0.103636|0.078824|0.068836|0.073124|0.082637|0.070989|0.137519|0.148239|0.105035|0.137792|0.080474|0.068961|0.064000|0.077725|0.068369|0.060646|0.064828|0.213295|0.500000| |1.601741|1.691859|1.622120|1.681547|13.164931|1.825164|1.912868|3.046633|2.394473|3.880235|2.961301|0.086894|3.138255|4.263790|2.930986|3.118292|2.650800|2.624605|4.230919|0.081766|0.085651|3.972837|4.052703|3.145674|5.281909|3.153721|0.088581|2.550977|2.428811|2.231709|6.497873|4.947231|5.630913|8.893569|17.717348|8.905801|5.635895|0.044656|0.045810|0.040847|0.042323|0.045173|0.051176|0.050501|0.065852|0.101082|0.076035|0.084123|0.069807|0.064924|0.072677|0.070827|0.065018|0.104456|0.129183|0.112781|0.134218|0.068836|0.067365|0.059521|0.072082|0.061551|0.055664|0.061824|0.123531|0.214371|0.500000| |1.818772|1.968429|1.918944|2.024772|15.841061|2.131616|2.171798|3.495718|2.660181|4.178188|3.299894|0.099385|3.715411|4.634892|2.954995|3.144470|2.585770|2.405710|3.636339|0.068281|0.074109|3.295272|3.801176|3.386686|5.315611|3.709254|0.112916|2.935620|2.901673|2.555065|7.490439|5.650664|4.948310|5.648104|8.909185|17.716516|8.930870|0.050970|0.051225|0.045913|0.049761|0.054778|0.057386|0.056150|0.077911|0.129750|0.092137|0.080262|0.071073|0.064690|0.071485|0.064656|0.059697|0.086596|0.097136|0.107671|0.129343|0.075410|0.084280|0.069326|0.085836|0.068339|0.062966|0.073218|0.107491|0.124098|0.214695|0.500000| 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