Version2.0 2020-07-18T12:20:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](c1ccc(cc1)S(=O)(=O)C)NC(=O)CN(c2ccc(c(c2)C)C)S(=O)(=O)c3ccc(cc3)C C22318837 RHF 6-31G(d) (6D,7F) CC[C@@H](c1ccc(cc1)S(=O)(=O)C)NC(=O)CN(c2ccc(c(c2)C)C)S(=O)(=O)c3ccc(cc3)C C01[X(C27H32N2O5S2)] 198 C1 612 CC[C@@H](c1ccc(cc1)S(=O)(=O)C)NC(=O)CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(c(c1)C)C CC[C@@H](c1ccc(cc1)S(=O)(=O)C)NC(=O)CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(c(c1)C)C CC[C@H](NC(=O)CN(c1ccc(C)c(C)c1)[S](=O)(=O)c2ccc(C)cc2)c3ccc(cc3)[S](C)(=O)=O InChIKey=PQWZDONRLVLPRJ-SANMLTNESA-N InChI=1S/C27H32N2O5S2/c1-6-26(22-10-15-24(16-11-22)35(5,31)32)28-27(30)18-29(23-12-9-20(3)21(4)17-23)36(33,34)25-13-7-19(2)8-14-25/h7-17,26H,6,18H2,1-5H3,(H,28,30)/t26-/m0/s1 InChI=1/C27H32N2O5S2/c1-6-26(22-10-15-24(16-11-22)35(5,31)32)28-27(30)18-29(23-12-9-20(3)21(4)17-23)36(33,34)25-13-7-19(2)8-14-25/h7-17,26H,6,18H2,1-5H3,(H,28,30)/t26-/m0/s1/f/h28H CC[C@@H](c1ccc(cc1)S(=O)(=O)C)NC(=O)CN(c2ccc(c(c2)C)C)S(=O)(=O)c3ccc(cc3)C C01[X(C27H32N2O5S2)] 198 C01 612 CC[C@@H](c1ccc(cc1)S(=O)(=O)C)NC(=O)CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(c(c1)C)C CC[C@@H]([C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)C)NC(=O)CN([S@]([O])(=O)[C]1[CH][CH][C]([CH][CH]1)C)[C]1[CH][CH][C]([C]([CH]1)C)C CC[C@H](NC(=O)CN([C]1[CH][CH][C](C)[C](C)[CH]1)[S]([O])(=O)[C]2[CH][CH][C](C)[CH][CH]2)[C]3[CH][CH][C]([CH][CH]3)[S](C)(=O)=O InChIKey=PQWZDONRLVLPRJ-SANMLTNESA-N InChI=1S/C27H32N2O5S2/c1-6-26(22-10-15-24(16-11-22)35(5,31)32)28-27(30)18-29(23-12-9-20(3)21(4)17-23)36(33,34)25-13-7-19(2)8-14-25/h7-17,26H,6,18H2,1-5H3,(H,28,30)/t26-/m0/s1 InChI=1/C27H32N2O5S2/c1-6-26(22-10-15-24(16-11-22)35(5,31)32)28-27(30)18-29(23-12-9-20(3)21(4)17-23)36(33,34)25-13-7-19(2)8-14-25/h7-17,26H,6,18H2,1-5H3,(H,28,30)/t26-/m0/s1/f/h28H 4294.8454357627 -2319.202914 1-A 27293.7320 140 472 612 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228.12 251.89 267.49 273.76 305.54 320.66 323.35 336.81 359.35 371.83 405.16 408.59 438.97 449.73 464.92 477.73 489.70 496.00 527.97 528.99 559.85 577.43 607.13 639.55 653.58 655.40 658.87 676.38 698.54 704.53 727.68 773.70 776.18 801.04 819.73 860.55 864.69 881.80 898.69 912.36 927.28 981.97 997.88 1001.78 1030.78 1096.01 1107.36 1130.00 1152.08 1158.74 1163.13 1211.57 1227.87 1244.90 1262.44 1303.66 1314.03 1333.08 1356.71 1362.06 1375.82 1376.01 1426.08 1476.40 1497.24 1510.15 1552.08 1567.75 1568.42 1571.34 1571.92 1572.85 1585.87 1588.09 1598.76 1601.16 1604.75 1605.40 1610.87 1634.34 1667.68 1670.73 1688.73 1702.82 1715.44 1722.71 1726.50 1733.93 1766.48 1779.38 1788.64 1792.77 1809.73 1816.02 1821.55 1881.19 1887.58 1890.44 1892.58 1895.43 1912.59 1920.34 1922.86 1947.85 1997.96 2026.28 2058.23 2067.37 2070.83 2075.16 2101.88 2106.94 2121.55 2173.45 2188.21 2194.80 2244.25 2246.48 2254.75 2255.99 2262.63 2265.26 2266.69 2277.31 2297.83 2298.34 2336.93 2339.68 2346.28 2349.92 2356.20 2356.80 2359.33 2360.61 2364.59 2374.90 2412.05 2415.28 2417.14 2458.61 2544.31 2547.04 2549.42 2601.40 2602.77 2616.09 2803.25 4590.91 4604.79 4610.23 4615.52 4619.34 4664.36 4669.62 4675.90 4680.64 4686.64 4693.80 4703.22 4725.03 4727.10 4731.78 4732.08 4737.70 4758.92 4804.03 4819.28 4838.07 4840.28 4847.82 4850.65 4866.87 4878.25 4902.38 4903.35 4909.84 4913.63 4924.50 5581.40 0.592720 0.627297 0.628241 0.518904 -2318.610194 -2318.575617 -2318.574673 -2318.684010 3.667181D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE CC[C@@H](c1ccc(cc1)S(=O)(=O)C)NC(=O)CN(c2ccc(c(c2)C)C)S(=O)(=O)c3ccc(cc3)C C22318837 RHF 6-31G(d) (6D,10F) C1 528.175266 |X|Y|Z| 141.305160 70.095699 49.123421 78.652525 24 6 7 16 21 2 1 |36.858105| |12.455229|36.858105| |7.426116|12.392226|36.858105| |7.003436|8.884055|17.623002|0.500000| |4.891530|7.546133|12.506567|0.249637|36.858105| |4.091134|5.622645|7.565978|0.204667|13.708959|36.858105| |3.205338|4.157738|5.012593|0.133661|7.894093|13.768986|36.858105| |2.924860|3.784343|4.431826|0.111651|6.862287|7.973060|13.748649|36.858105| |3.168758|4.217810|4.992292|0.117179|7.899921|6.877856|7.906876|13.733719|36.858105| |4.014181|5.767627|7.487811|0.156791|13.696702|7.957811|6.870403|7.966900|13.782348|36.858105| |2.313774|2.826392|3.139625|0.081679|4.191009|4.738241|6.965577|10.766122|6.964263|4.737823|388.023441| |2.138029|2.574029|2.856305|0.073457|3.678257|3.835668|4.960140|7.313669|6.444418|4.406380|94.247618|73.516695| |2.149084|2.559024|2.859597|0.077166|3.676623|4.403120|6.440311|7.312099|4.958957|3.834169|94.259439|13.576320|73.516695| |2.241755|2.718263|2.838425|0.073517|3.615039|3.999836|5.320754|6.797117|5.318377|3.998650|76.274111|13.052916|13.053340|36.858105| |6.245439|7.776206|13.104793|0.258303|7.710869|5.202916|3.957101|3.766797|4.446045|6.482540|19.962580|4.752853|4.534656|2.507979|53.358707| |4.801356|5.226247|7.765714|0.209107|5.741976|4.462273|3.537101|3.340060|3.781628|4.979905|18.375629|4.423406|4.287742|2.265560|19.208009|36.858105| |4.275298|4.592694|6.821083|0.217836|5.467277|4.681385|3.684411|3.342267|3.591997|4.495524|18.507668|4.385285|4.439082|2.250180|11.538567|15.853247|73.516695| |3.860289|3.985530|5.007745|0.131656|4.134492|3.358836|2.849181|2.801380|3.203904|3.981636|16.156570|4.008531|3.761372|2.011431|10.696725|12.484989|14.182541|36.858105| |3.373362|3.288254|3.921551|0.109972|3.287544|2.836047|2.446285|2.370106|2.613441|3.103642|14.083497|3.482816|3.347812|1.769377|7.193367|7.660045|11.810596|13.103263|53.358707| |2.708706|2.689116|3.173281|0.089561|2.825930|2.519298|2.240052|2.189263|2.381208|2.723524|13.335183|3.334913|3.203841|1.662112|5.422538|5.361123|9.261150|7.606388|18.086083|36.858105| |2.362957|2.330294|2.649397|0.073678|2.401265|2.156730|1.954893|1.936324|2.107349|2.365150|12.041256|3.043857|2.888176|1.517461|4.412070|4.005661|6.771274|5.485950|10.556794|13.793104|36.858105| |2.036046|2.027070|2.291900|0.064040|2.135125|1.957436|1.807005|1.796594|1.931445|2.117268|11.384421|2.895262|2.754557|1.431139|3.682496|3.249498|5.690138|4.084327|6.982817|7.985974|13.733757|36.858105| |1.954196|1.968875|2.256843|0.063798|2.140328|1.995909|1.857189|1.837781|1.949497|2.110946|11.715463|2.975459|2.866347|1.456693|3.551864|3.154669|5.758105|3.743203|6.144258|6.834910|7.863229|13.745950|36.858105| |2.140640|2.176100|2.562079|0.073502|2.431639|2.279051|2.101869|2.054942|2.165683|2.360388|12.925520|3.252566|3.181193|1.586290|4.030887|3.715667|7.099054|4.261044|6.989045|7.882672|6.814488|7.931678|13.584518|36.858105| |2.532569|2.565676|3.095236|0.089336|2.848126|2.611639|2.344128|2.270143|2.420714|2.717832|13.899057|3.463912|3.389418|1.704943|5.055299|5.007144|9.667052|5.958082|10.685015|13.712043|7.942842|6.934300|7.927315|13.756393|36.858105| |1.976432|2.031294|2.394392|0.069456|2.334643|2.253339|2.114083|2.053402|2.115830|2.255392|13.110764|3.287703|3.285954|1.593893|3.622527|3.243573|6.427178|3.445064|5.259341|5.019253|4.423133|5.015276|7.507310|12.602668|7.599662|36.858105| |1.694921|1.712146|1.934256|0.054621|1.865846|1.766659|1.671540|1.661486|1.744195|1.852475|10.807453|2.758701|2.663718|1.349027|2.966853|2.546108|4.663368|2.903120|4.524292|4.432205|5.012435|7.586529|12.606777|7.513223|5.016606|6.437467|36.858105| |3.594294|3.242121|3.607654|0.103131|2.926324|2.565778|2.204624|2.110543|2.295319|2.710393|12.659204|3.098029|3.023049|1.628633|6.212528|5.720467|9.132375|7.186208|15.781054|7.103843|5.759896|4.139380|3.603335|3.876342|5.138246|3.104972|2.819086|388.023441| |3.003660|2.724084|2.920254|0.081681|2.460363|2.178944|1.917398|1.863535|2.028616|2.344896|11.407320|2.821546|2.720395|1.481414|4.871909|4.169061|6.690375|5.335254|10.222391|6.058671|6.055196|4.335204|3.543276|3.543595|4.335787|2.821660|2.821087|94.587752|73.516695| |4.863143|4.115799|4.439097|0.125678|3.360293|2.873126|2.406657|2.284654|2.503668|3.040539|13.450068|3.255665|3.183659|1.748520|7.786071|6.564624|9.750536|7.070911|10.668707|5.034013|4.181243|3.232122|2.918614|3.172633|4.068034|2.678415|2.373566|94.260269|13.722445|73.516695| |3.170368|2.850220|3.178456|0.095721|2.643803|2.424893|2.096181|1.967505|2.076890|2.394951|11.947579|2.893747|2.910649|1.535783|5.015774|4.570348|8.404183|4.883398|9.580556|5.923524|4.829781|3.862605|3.584443|3.972327|5.088080|3.297086|2.857014|76.763111|13.109409|12.880404|36.858105| |2.641062|2.383067|2.586740|0.076815|2.218498|2.065388|1.823042|1.724091|1.808479|2.044144|10.673631|2.598426|2.612453|1.382440|3.976817|3.453800|6.302359|3.746673|6.908611|4.856833|4.464187|3.776944|3.466540|3.639105|4.269057|3.058469|2.849313|49.767749|11.787756|9.076865|13.789914|36.858105| |2.375675|2.157889|2.331943|0.070115|2.036689|1.939122|1.726533|1.620996|1.675209|1.867465|10.137397|2.456046|2.508270|1.315740|3.463005|2.951073|5.555084|3.064263|5.282860|3.861106|3.576983|3.241211|3.126111|3.308299|3.688354|2.933159|2.678665|33.756209|7.951953|6.929274|7.972708|13.729267|36.858105| |2.441257|2.229482|2.435310|0.074960|2.133446|2.067012|1.832526|1.695941|1.730446|1.924324|10.579151|2.539013|2.641875|1.368409|3.526721|3.009212|5.891877|2.976000|4.947899|3.576494|3.177766|2.919005|2.932573|3.237256|3.620757|3.000714|2.539376|29.838587|6.578297|6.519964|6.862903|7.894537|13.745448|36.858105| |2.849428|2.605306|2.918984|0.092510|2.510003|2.432724|2.114383|1.929583|1.965392|2.214038|11.833497|2.816844|2.955210|1.518755|4.208592|3.682218|7.534496|3.475525|5.731938|3.962679|3.314229|2.966131|3.009726|3.474008|4.097559|3.229922|2.548523|33.749986|6.815459|7.621985|7.981326|6.877767|7.959122|13.643634|36.858105| |3.348691|3.036790|3.477573|0.110075|2.880579|2.701969|2.302982|2.113155|2.192799|2.529190|12.724231|3.039983|3.133397|1.625464|5.251480|4.838718|9.834100|4.581288|7.993657|5.049868|3.970557|3.352412|3.304562|3.859342|4.937320|3.399429|2.690872|49.498151|8.761487|10.804663|13.691847|7.898816|6.866840|7.885557|13.828307|36.858105| |2.120660|1.957450|2.113663|0.064835|1.894457|1.869897|1.683090|1.555439|1.568164|1.716619|9.844116|2.357629|2.481929|1.279623|2.988832|2.484509|4.861400|2.431172|3.871145|2.851012|2.603592|2.478855|2.538984|2.766448|2.955032|2.680622|2.289457|22.392426|5.116827|5.086386|4.445159|5.009170|7.547269|12.617312|7.565197|5.022444|36.858105| |17.555807|8.814860|5.444580|0.141827|4.074340|3.528453|2.883738|2.672573|2.878521|3.517352|15.415594|3.571970|3.574405|2.152136|6.470429|3.812173|6.116924|3.249449|3.945382|2.386385|2.130259|1.855382|1.775585|1.919058|2.229253|1.779802|1.557808|22.209304|4.829299|7.247093|2.782303|2.388839|2.169728|2.212887|2.521089|2.886854|1.952081|0.500000| |17.547811|8.793858|6.711817|0.206676|4.574985|4.088872|3.177847|2.814482|2.950001|3.635403|15.968204|3.651292|3.784173|2.163445|7.438165|4.591228|7.775175|3.627043|4.488764|2.679130|2.318101|2.011753|1.950702|2.155656|2.548701|2.009935|1.695144|25.346102|5.219811|8.391662|3.324864|2.757270|2.522189|2.649452|3.149603|3.653965|2.305464|0.301795|0.500000| |17.580426|8.713668|6.716521|0.174393|4.440654|3.644909|2.916379|2.719283|2.997276|3.803680|15.474168|3.641047|3.591871|2.081873|9.358493|5.410446|8.115522|4.513452|5.359542|3.043750|2.647594|2.234445|2.111274|2.300598|2.762128|2.081827|1.809290|30.983345|6.360290|11.455780|3.629529|2.968389|2.596747|2.616204|3.046526|3.704239|2.226092|0.301569|0.302732|0.500000| |8.858001|17.556846|8.908572|0.209651|7.226222|6.136872|4.545873|3.994297|4.235102|5.429481|21.208694|4.696155|4.824722|2.945385|7.701723|4.227631|7.020545|3.311288|3.837731|2.379019|2.081946|1.842571|1.808384|1.997191|2.313367|1.896872|1.592746|19.773831|4.226792|6.038512|2.533909|2.157857|1.991576|2.079251|2.415017|2.734234|1.858117|0.212582|0.212755|0.172472|0.500000| |8.797560|17.495549|8.843951|0.174309|6.762694|4.898989|3.886995|3.762906|4.417975|6.101170|20.218377|4.700269|4.463666|2.774080|9.732810|4.769343|7.177348|3.893689|4.288718|2.597589|2.290818|1.993983|1.920274|2.094728|2.447237|1.943812|1.675894|21.855289|4.718228|6.826201|2.632270|2.233363|2.010415|2.045792|2.345787|2.725240|1.802648|0.213382|0.172599|0.206512|0.304816|0.500000| |4.225529|5.442075|7.046016|0.225550|8.911476|17.713791|8.953599|5.666723|4.954507|5.652185|27.859549|5.729893|6.866157|3.438264|6.562013|4.311836|8.439071|3.221160|3.822317|2.491343|2.123237|1.928606|1.973299|2.264307|2.599263|2.252462|1.747527|18.462408|3.886715|5.184499|2.522603|2.143158|2.033800|2.202359|2.625778|2.881186|2.000104|0.100413|0.124094|0.102848|0.169191|0.124620|0.500000| |2.853234|3.527430|4.089781|0.114161|5.623887|8.899033|17.746554|8.920611|5.636974|4.953432|47.289157|8.151286|13.145192|5.244499|4.519513|3.066107|5.796877|2.520357|3.025009|2.063578|1.813023|1.693571|1.753177|1.981520|2.179712|2.023177|1.594301|14.403903|3.153152|3.889628|1.964396|1.726239|1.654925|1.769571|2.031846|2.171851|1.646084|0.072313|0.080223|0.072187|0.108234|0.090985|0.215310|0.500000| |2.807677|3.592562|4.068977|0.096851|5.625811|4.957113|5.638395|8.919536|17.745815|8.905035|47.318361|13.164781|8.153883|5.247381|5.246879|3.355899|5.594870|2.988110|3.340283|2.267438|2.041523|1.885141|1.895816|2.077467|2.290188|2.024767|1.709667|15.310340|3.441886|4.123962|1.935775|1.703920|1.576609|1.614661|1.811641|2.013960|1.467748|0.072125|0.072199|0.075034|0.098912|0.107511|0.107598|0.124193|0.500000| |4.075400|5.677450|6.927803|0.141934|8.901849|5.652175|4.952293|5.666822|8.966105|17.734509|27.873507|6.875729|5.730908|3.438606|9.705330|5.254741|7.850390|4.431259|4.528068|2.878465|2.520460|2.228205|2.184874|2.412107|2.794343|2.255946|1.903903|20.496155|4.470533|5.780266|2.462683|2.100821|1.893386|1.923073|2.195157|2.539738|1.702217|0.099765|0.099193|0.111482|0.138676|0.181677|0.124140|0.107565|0.215616|0.500000| |2.326088|2.846974|2.914442|0.073885|3.690009|3.867922|4.838594|6.375861|5.685596|4.258240|57.220915|12.098078|9.665450|17.628222|3.532491|2.306175|3.998122|2.062559|2.447971|1.678694|1.538467|1.443688|1.457646|1.578226|1.703054|1.568885|1.345649|11.793187|2.691796|3.183927|1.545101|1.389813|1.314702|1.358576|1.504831|1.621813|1.264395|0.062470|0.061388|0.060091|0.085222|0.082764|0.091377|0.124788|0.164205|0.103871|0.500000| |1.988662|2.354696|2.450583|0.064198|3.016996|3.303264|4.217469|5.099998|4.216704|3.302933|58.163885|11.918163|11.917386|17.601548|3.005030|2.026306|3.590749|1.826286|2.211591|1.541370|1.418162|1.347840|1.375234|1.489425|1.584674|1.504560|1.284280|10.661917|2.443265|2.836891|1.421396|1.289456|1.232383|1.280057|1.410634|1.499364|1.204061|0.053329|0.053565|0.051722|0.070167|0.066690|0.081238|0.119488|0.119572|0.081263|0.298536|0.500000| |2.336088|2.832246|2.916742|0.076518|3.688539|4.258196|5.687461|6.374578|4.834744|3.864722|57.223870|9.665314|12.099804|17.628401|3.420736|2.261932|4.026865|1.983644|2.389477|1.639976|1.491586|1.403027|1.427947|1.559525|1.682755|1.568445|1.320165|11.605920|2.627836|3.135224|1.550845|1.394608|1.332542|1.393341|1.551155|1.653244|1.306442|0.062504|0.063213|0.059439|0.087457|0.078955|0.103841|0.164094|0.124804|0.091333|0.297155|0.298536|0.500000| |6.414519|7.529980|9.031813|0.185651|6.124150|4.319864|3.457798|3.399825|4.087041|5.771808|18.557835|4.489921|4.173573|2.386177|26.072002|9.471665|10.934570|7.551510|6.927659|3.810405|3.213940|2.658486|2.507441|2.768449|3.415442|2.457029|2.103639|32.645030|6.631073|10.588578|3.525422|2.847406|2.451601|2.446088|2.848122|3.530089|2.077077|0.140496|0.144773|0.211908|0.148464|0.220154|0.111013|0.081629|0.102235|0.193064|0.069620|0.058680|0.066059|0.500000| |3.292486|3.524750|4.441987|0.115661|3.997980|3.287579|2.872638|2.890960|3.339588|4.040996|16.833867|4.254228|3.904938|2.058727|8.745014|9.029112|12.196887|17.612961|12.668381|7.627085|5.665500|4.380633|4.094842|4.696624|6.420203|3.767737|3.152295|38.312443|7.881019|9.000177|4.075466|3.293936|2.771625|2.704705|3.103075|3.893247|2.258978|0.078776|0.086299|0.102662|0.083731|0.097402|0.085853|0.070508|0.088011|0.125455|0.058561|0.052110|0.055744|0.169256|0.500000| |4.038268|4.110232|4.811363|0.120949|3.933882|3.145893|2.690995|2.687291|3.127481|3.908363|15.597815|3.893214|3.586725|1.978678|10.314454|8.794008|10.417284|17.609008|12.340106|5.910374|4.894851|3.687918|3.283795|3.551822|4.597122|2.924908|2.623157|47.926010|9.750125|12.988993|4.345436|3.467521|2.829811|2.703658|3.076748|3.949028|2.235477|0.095942|0.101294|0.135680|0.093178|0.116315|0.083061|0.065969|0.082265|0.126057|0.057050|0.049907|0.054101|0.243593|0.303213|0.500000| |2.386702|2.323338|2.580750|0.070935|2.315249|2.062493|1.867601|1.858014|2.035950|2.294384|11.567211|2.927146|2.756585|1.474552|4.317175|3.782284|6.179171|5.249003|9.650076|8.930780|17.757493|8.885319|5.613889|4.924643|5.648192|3.541108|4.092672|42.792285|13.028381|7.760623|4.640267|4.389832|3.439689|2.990097|3.076948|3.689741|2.458671|0.060301|0.064340|0.075222|0.057361|0.064116|0.056284|0.048013|0.055055|0.068732|0.041779|0.038281|0.040276|0.089954|0.144090|0.141042|0.500000| |1.870670|1.855859|2.061694|0.057279|1.930847|1.775984|1.652474|1.651928|1.774738|1.929262|10.579559|2.702025|2.557262|1.341076|3.272951|2.801479|4.858965|3.457811|5.662936|5.676954|8.957540|17.708625|8.941975|5.641260|4.983067|4.083833|7.064954|25.529438|7.005294|5.116664|3.345130|3.384878|2.950044|2.628897|2.616244|2.898922|2.276958|0.047883|0.051169|0.056876|0.047096|0.051077|0.048544|0.043168|0.048486|0.056539|0.037664|0.035238|0.036476|0.066492|0.101910|0.090120|0.215513|0.500000| |2.742100|2.809219|3.502245|0.103706|3.217447|2.976485|2.630841|2.501026|2.639153|2.988107|15.066190|3.704862|3.697504|1.829788|5.641165|5.834011|12.596015|6.122616|9.957509|8.977003|5.668962|4.984978|5.629825|8.901469|17.729281|7.034489|4.077443|35.265780|7.031730|7.427842|5.101929|4.088939|3.627377|3.746190|4.497225|5.485156|3.060162|0.066098|0.077637|0.082106|0.070487|0.073094|0.083098|0.067850|0.068136|0.083666|0.050469|0.046965|0.050414|0.101696|0.177762|0.126959|0.124652|0.108056|0.500000| |1.840248|1.869164|2.165944|0.063196|2.101198|2.048002|1.927274|1.862402|1.903131|2.019248|12.010371|2.998581|3.029759|1.476650|3.229309|2.836857|5.599157|2.986664|4.622497|4.292665|3.952411|4.576949|6.660958|8.816980|5.902074|17.538542|6.504147|20.441147|4.725768|4.404997|3.161054|3.038405|3.008682|3.089855|3.221381|3.257819|2.827726|0.046367|0.052317|0.053707|0.048793|0.049592|0.057411|0.051722|0.050640|0.055969|0.040313|0.038892|0.040533|0.061316|0.088188|0.071945|0.090088|0.107624|0.152897|0.500000| |2.105368|2.180768|2.616732|0.077050|2.566022|2.508151|2.340633|2.240924|2.283486|2.438575|14.165597|3.512060|3.580057|1.705181|3.905669|3.535148|7.322609|3.576949|5.329249|4.785370|3.977955|4.184914|5.553348|8.859010|7.347482|17.591857|4.727447|22.337175|4.916938|4.926716|3.380306|3.047055|2.945536|3.114195|3.477845|3.650980|2.781664|0.052249|0.059963|0.061103|0.056767|0.057337|0.070170|0.062384|0.059925|0.066762|0.046345|0.044516|0.046795|0.072128|0.107618|0.083031|0.090603|0.096064|0.226187|0.301921|0.500000| |1.852534|1.925560|2.258337|0.064618|2.247448|2.173653|2.075317|2.045226|2.108531|2.211652|13.248987|3.364455|3.320572|1.601020|3.398696|2.971266|5.759626|3.161953|4.630545|4.292443|3.955106|4.576606|6.659391|8.816415|5.893290|17.539170|6.501665|19.530356|4.512805|4.297577|2.823323|2.635909|2.522899|2.562839|2.737958|2.883924|2.327815|0.046635|0.051930|0.053915|0.050193|0.051668|0.059653|0.055243|0.056668|0.061500|0.043742|0.042191|0.043457|0.064475|0.098324|0.075942|0.090143|0.107630|0.152559|0.302655|0.302021|0.500000| |1.637250|1.644768|1.851831|0.052819|1.784022|1.708070|1.616629|1.593026|1.654893|1.753059|10.395983|2.634312|2.583699|1.301455|2.800732|2.395488|4.459081|2.661824|4.169930|3.961835|4.286879|5.893160|8.820618|6.664894|4.581527|6.500886|17.540160|19.030362|4.726480|4.025824|2.819440|2.863175|2.774195|2.654970|2.622419|2.694416|2.435363|0.041863|0.045868|0.048311|0.042744|0.044428|0.047342|0.043146|0.044831|0.049619|0.035914|0.034474|0.035534|0.054882|0.078659|0.066773|0.099410|0.153278|0.107516|0.211524|0.133079|0.173264|0.500000| |1.645833|1.682792|1.908655|0.053645|1.871100|1.779178|1.701320|1.703199|1.784815|1.874667|11.170054|2.872495|2.757583|1.384359|2.909055|2.474816|4.539405|2.783397|4.175308|3.961154|4.288595|5.889177|8.819252|6.669725|4.578489|6.511458|17.540765|18.285992|4.512213|3.942841|2.571809|2.518811|2.379758|2.298140|2.341466|2.471295|2.094131|0.042058|0.045607|0.048459|0.043677|0.045900|0.048583|0.045135|0.048857|0.053351|0.038279|0.036713|0.037460|0.057109|0.085591|0.069919|0.099438|0.153172|0.107433|0.173670|0.133231|0.211826|0.302722|0.500000| |1.613302|1.621518|1.808056|0.050727|1.739515|1.640834|1.555343|1.553523|1.637337|1.737275|10.151401|2.599771|2.491051|1.278200|2.773981|2.344270|4.220552|2.697715|4.184492|3.983302|4.778401|7.325634|8.855854|5.553966|4.183051|4.726652|17.586834|19.038880|4.912787|4.016543|2.671016|2.713090|2.538140|2.363549|2.338891|2.470179|2.140693|0.041472|0.044616|0.047963|0.041896|0.044364|0.044999|0.041187|0.044837|0.049912|0.035554|0.033875|0.034717|0.055313|0.080654|0.069243|0.113799|0.227090|0.095927|0.133094|0.103925|0.133102|0.301967|0.301945|0.500000| |2.483267|2.246527|2.405407|0.069992|2.079293|1.922101|1.710854|1.636300|1.728523|1.946846|10.193754|2.499662|2.482008|1.326117|3.732444|3.181665|5.624154|3.584393|6.551354|4.696050|4.684359|3.937825|3.450947|3.451925|3.944506|2.857629|2.856294|47.594379|13.873709|8.545133|8.945065|17.766769|8.883754|5.625398|4.958379|5.635482|4.081855|0.063211|0.070679|0.078032|0.056417|0.059410|0.054813|0.044908|0.045632|0.056143|0.037192|0.034445|0.037021|0.075792|0.088422|0.094997|0.135079|0.100908|0.101413|0.078791|0.077444|0.069607|0.078791|0.069594|0.077337|0.500000| |2.119480|1.934289|2.065246|0.061428|1.828343|1.747854|1.573634|1.486352|1.533656|1.693720|9.393341|2.284098|2.326869|1.225173|3.046459|2.547479|4.737576|2.667128|4.483653|3.348876|3.242526|3.030983|2.913583|2.986666|3.203571|2.680803|2.571985|27.922066|6.992886|5.857256|5.669307|8.944170|17.717946|8.919440|5.649219|4.948873|6.982139|0.054525|0.062043|0.063926|0.049944|0.050514|0.050697|0.042071|0.040349|0.047763|0.034018|0.032020|0.034427|0.060470|0.068113|0.069521|0.087833|0.078711|0.086157|0.077581|0.073641|0.064971|0.074705|0.063251|0.068771|0.215031|0.500000| |2.809820|2.604110|2.933662|0.094889|2.558905|2.541569|2.209041|1.986428|1.992555|2.227690|12.192997|2.875079|3.077270|1.562028|4.085228|3.510814|7.401601|3.185326|4.985941|3.465811|2.908549|2.654961|2.750061|3.210962|3.709542|3.118426|2.375658|27.879754|5.708421|6.626051|5.667664|4.953669|5.654114|8.891004|17.706969|8.975592|7.031062|0.069071|0.087740|0.081259|0.068189|0.064455|0.077613|0.059604|0.050679|0.060423|0.042700|0.040293|0.044565|0.075731|0.080304|0.078364|0.074831|0.065432|0.116646|0.086551|0.095714|0.074094|0.068221|0.061613|0.060287|0.107602|0.124113|0.500000| |3.871087|3.561574|4.265501|0.140590|3.425136|3.186989|2.644125|2.393099|2.485850|2.921294|14.109876|3.343525|3.464720|1.788200|6.433140|6.188022|13.638104|5.261506|8.479124|5.026817|3.811795|3.201416|3.188562|3.813586|5.028631|3.410209|2.595378|47.093239|8.023480|11.594506|8.883279|5.631259|4.951610|5.621291|8.930705|17.752315|4.096301|0.089694|0.118788|0.118157|0.088043|0.086749|0.095300|0.068573|0.062506|0.080731|0.049512|0.045455|0.050639|0.115036|0.121461|0.121932|0.098026|0.076592|0.166526|0.088345|0.104657|0.081265|0.071341|0.067460|0.065831|0.124086|0.107502|0.216125|0.500000| |2.159290|1.975168|2.107171|0.065040|1.884000|1.873534|1.682814|1.544992|1.549344|1.695136|9.777333|2.327114|2.470275|1.279462|2.928576|2.392206|4.671733|2.298364|3.574222|2.570868|2.342443|2.213926|2.254802|2.456727|2.644772|2.395961|2.042837|20.828701|4.734124|4.905425|3.988021|4.304558|5.898133|8.859003|6.718287|4.604288|17.547848|0.055511|0.066015|0.062328|0.052491|0.050228|0.056157|0.045913|0.040156|0.046476|0.035083|0.033424|0.036472|0.056542|0.059062|0.059218|0.062107|0.056800|0.077003|0.069291|0.069716|0.058626|0.059780|0.052529|0.053309|0.099598|0.152576|0.190489|0.108302|0.500000| |2.024425|1.901893|2.078211|0.063874|1.890367|1.884327|1.707865|1.575352|1.577766|1.714531|10.015568|2.397870|2.543031|1.293616|2.923957|2.442643|4.854328|2.374839|3.744273|2.815949|2.556288|2.479169|2.606845|2.883777|3.019460|2.884709|2.377329|20.775263|4.717897|4.720060|3.986713|4.291878|5.867435|8.856783|6.761780|4.616608|17.550330|0.051631|0.060987|0.058546|0.050416|0.048670|0.056037|0.046654|0.041006|0.046947|0.035344|0.033878|0.036658|0.055988|0.062189|0.060074|0.066017|0.062944|0.087743|0.086039|0.083962|0.069129|0.071214|0.060719|0.061013|0.099240|0.151391|0.192998|0.108800|0.302254|0.500000| 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