Version2.0 2020-01-22T10:35:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 05-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)C[C@@H]2C(=O)N(C3([NH2+]2)CCN(CC3)S(=O)(=O)c4ccc(cc4)F)CCc5ccccn5 C36027262 RHF 6-31G(d) (6D,7F) c1ccc(cc1)C[C@@H]2C(=O)N(C3([NH2+]2)CCN(CC3)S(=O)(=O)c4ccc(cc4)F)CCc5ccccn5 C01[X(C27H30F1N4O3S1)] 192 C1 604 Fc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)[NH2+][C@@H](C(=O)N2CCc1ccccn1)Cc1ccccc1 Fc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)[NH2+][C@@H](C(=O)N2CCc1ccccn1)Cc1ccccc1 Fc1ccc(cc1)[S](=O)(=O)N2CCC3(CC2)[NH2+][C@H](Cc4ccccc4)C(=O)N3CCc5ccccn5 InChIKey=KBADYZOIJSKLJB-RUZDIDTESA-O InChI=1S/C27H29FN4O3S/c28-22-9-11-24(12-10-22)36(34,35)31-18-14-27(15-19-31)30-25(20-21-6-2-1-3-7-21)26(33)32(27)17-13-23-8-4-5-16-29-23/h1-12,16,25,30H,13-15,17-20H2/p+1/t25-/m1/s1 InChI=1/C27H29FN4O3S/c28-22-9-11-24(12-10-22)36(34,35)31-18-14-27(15-19-31)30-25(20-21-6-2-1-3-7-21)26(33)32(27)17-13-23-8-4-5-16-29-23/h1-12,16,25,30H,13-15,17-20H2/p+1/t25-/m1/s1/fC27H30FN4O3S/h30H/q+1 c1ccc(cc1)C[C@@H]2C(=O)N(C3([NH2+]2)CCN(CC3)S(=O)(=O)c4ccc(cc4)F)CCc5ccccn5 C01[X(C27H30F1N4O3S1)] 192 C01 604 Fc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)[NH2+][C@@H](C(=O)N2CCc1ccccn1)Cc1ccccc1 Fc1ccc(cc1)[S@@](=O)(N1CC[C@]2(CC1)[NH2][C@@H](C(=O)N2CCc1ccccn1)Cc1ccccc1)O O[S](=O)(N1CCC2(CC1)[NH2][C@H](Cc3ccccc3)C(=O)N2CCc4ccccn4)c5ccc(F)cc5 InChIKey=BWMPYRZFISYPFK-RUZDIDTESA-N InChI=1S/C27H31FN4O3S/c28-22-9-11-24(12-10-22)36(34,35)31-18-14-27(15-19-31)30-25(20-21-6-2-1-3-7-21)26(33)32(27)17-13-23-8-4-5-16-29-23/h1-12,16,25H,13-15,17-20,30H2,(H,34,35)/t25-/m1/s1 InChI=1/C27H31FN4O3S/c28-22-9-11-24(12-10-22)36(34,35)31-18-14-27(15-19-31)30-25(20-21-6-2-1-3-7-21)26(33)32(27)17-13-23-8-4-5-16-29-23/h1-12,16,25H,13-15,17-20,30H2,(H,34,35)/t25-/m1/s1/f/h34H 4104.4594823644 -1978.9930602 1-A 22953.6708 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|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|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| 12.5646 16.4667 17.2823 24.2610 30.2515 32.1301 37.8903 43.8316 49.1754 73.4846 76.9986 83.3079 101.0848 116.7541 135.5353 147.0643 169.7400 189.5056 215.7772 235.4692 241.3343 285.1074 295.1081 296.7650 307.6470 326.3358 347.2286 370.6364 385.9792 390.5544 395.3964 414.7134 428.6775 453.5204 455.8944 460.0371 462.4467 464.5320 500.0735 505.5206 530.3957 542.2789 549.1545 561.6523 577.4971 599.9120 603.5231 613.5002 628.4325 652.6436 665.4527 679.5520 689.0508 690.3606 710.3448 726.9566 753.9617 775.4861 781.7420 796.2390 802.7730 826.3039 843.4635 849.8589 862.4662 864.6902 890.6642 911.7522 915.1822 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1311.81 1316.74 1331.04 1340.97 1363.89 1372.67 1384.65 1431.67 1451.64 1459.58 1470.24 1498.97 1513.09 1560.49 1563.02 1564.36 1571.38 1578.33 1593.03 1596.37 1597.36 1599.21 1610.08 1619.93 1625.30 1631.65 1644.90 1646.03 1649.09 1658.76 1662.75 1684.82 1708.44 1711.32 1721.40 1724.77 1745.81 1771.16 1791.52 1805.90 1813.55 1846.06 1851.52 1858.76 1877.48 1882.24 1892.06 1902.09 1908.59 1930.71 1937.97 1972.95 1983.13 1998.97 2028.28 2042.62 2056.76 2068.67 2071.51 2077.15 2083.45 2119.94 2132.13 2137.35 2143.03 2169.73 2178.16 2187.79 2200.48 2214.15 2230.29 2238.91 2250.29 2257.79 2273.00 2316.62 2332.80 2334.15 2345.89 2352.34 2362.79 2369.12 2374.05 2383.03 2403.61 2405.46 2421.68 2566.37 2566.59 2567.15 2592.09 2598.64 2599.74 2614.03 2896.57 4636.89 4640.37 4650.31 4670.26 4701.86 4716.07 4720.95 4725.11 4731.90 4736.09 4743.81 4751.07 4785.92 4809.15 4818.48 4840.91 4850.72 4861.40 4863.71 4876.06 4878.74 4884.58 4894.77 4895.75 4902.86 4905.18 4917.30 4927.98 5279.82 5378.37 0.586402 0.615594 0.616538 0.520040 -1978.406658 -1978.377466 -1978.376522 -1978.473020 3.236559D-04 MUNgauss RevisionA2.0 retrievium 22-Jan-2020 DUDE c1ccc(cc1)C[C@@H]2C(=O)N(C3([NH2+]2)CCN(CC3)S(=O)(=O)c4ccc(cc4)F)CCc5ccccn5 C36027262 RHF 6-31G(d) (6D,10F) C1 509.202266 |X|Y|Z| 114.103846 93.190338 35.348973 72.168773 32 6 7 16 27 4 1 |36.858105| |13.723984|36.858105| |7.930467|13.770177|36.858105| |6.830963|7.900964|13.674510|36.858105| |7.935797|6.885204|7.952026|13.712577|36.858105| |13.772556|7.947456|6.878327|7.893844|13.722033|36.858105| |4.426190|5.011067|7.537398|12.570083|7.551084|5.008835|36.858105| |3.766067|4.290753|5.975255|7.549181|5.439571|4.074743|12.458441|36.858105| |3.753516|4.520040|6.378381|6.752465|4.767644|3.821216|8.797031|17.617725|0.500000| |2.913980|3.208160|4.100846|4.888097|3.996385|3.154838|7.406254|12.532662|0.247450|36.858105| |2.637286|2.910240|3.674182|4.257584|3.512992|2.826079|6.346053|7.940635|0.185215|16.026071|73.516695| |2.674153|2.860200|3.471002|4.055003|3.565945|2.910534|5.327764|8.151177|0.181288|14.053485|14.854324|53.358707| |2.942317|3.115306|3.703130|4.269078|3.847957|3.197757|5.058168|7.797160|0.184207|8.080024|9.669806|17.826381|36.858105| |3.813790|4.078910|5.129758|6.419281|5.504029|4.255494|7.558033|12.698919|0.252967|8.173685|9.744339|11.446161|12.484216|53.358707| |4.287244|4.616761|5.625431|6.509410|5.666724|4.635108|6.428151|9.046642|0.230563|5.941368|7.825352|8.227698|8.969914|25.695297|0.500000| |3.922740|3.977302|4.856075|6.577633|6.327121|4.668437|7.488957|9.223866|0.182836|6.861867|8.845627|9.670812|9.118184|25.669730|0.328473|0.500000| |2.721748|2.752755|3.112137|3.599871|3.525921|3.024959|3.992831|5.123846|0.123255|5.257881|7.198327|10.255949|12.384880|10.510335|0.183212|0.214771|36.858105| |2.276618|2.308166|2.544572|2.817627|2.757297|2.462265|3.068134|3.801019|0.097454|4.054477|5.951011|7.596744|7.353753|6.735666|0.127568|0.132674|12.387533|36.858105| |2.233867|2.302417|2.514859|2.682993|2.573511|2.346167|2.862690|3.593127|0.097389|3.713821|5.512444|6.575513|6.462202|6.171521|0.124440|0.114492|7.648174|13.043993|53.358707| |2.295756|2.437561|2.723666|2.859956|2.635472|2.372583|3.126964|4.131108|0.116596|4.363231|6.394265|7.752960|7.435178|6.744169|0.134390|0.116836|6.527332|7.833651|17.757389|36.858105| |2.768051|3.004250|3.482599|3.690259|3.273226|2.864982|4.103124|6.009087|0.173379|5.888534|7.918617|10.299450|12.349696|10.468773|0.208087|0.159592|7.452908|6.486528|10.473450|12.415478|36.858105| |2.286810|2.323742|2.454572|2.560394|2.509135|2.369083|2.600579|3.130563|0.086536|3.036367|4.589290|4.956029|4.803949|5.379480|0.116791|0.101986|5.608856|7.150384|15.592193|7.162011|5.710435|388.023441| |2.206706|2.286691|2.399666|2.425629|2.329266|2.224836|2.447104|2.944659|0.084564|2.833717|4.352424|4.460249|4.142369|4.809651|0.106311|0.088823|4.282369|5.015700|10.520484|6.823461|5.416188|94.804416|73.516695| |2.645986|2.629766|2.744813|2.899256|2.918600|2.780488|2.856861|3.378859|0.091718|3.127639|4.663222|4.999066|5.040023|6.131974|0.139160|0.119802|6.199994|6.492780|10.257526|5.543000|5.423650|94.119454|13.699050|73.516695| |1.945912|1.945769|2.028081|2.123345|2.121818|2.027571|2.157467|2.496444|0.068128|2.482432|3.873625|3.989761|3.556130|4.108335|0.086581|0.081150|4.293562|5.740562|9.628679|4.785450|3.864374|77.074233|12.905944|13.058025|36.858105| |1.729161|1.744681|1.822757|1.893291|1.872079|1.787342|1.943918|2.241222|0.061706|2.275271|3.617638|3.627595|3.090837|3.556449|0.073915|0.069749|3.549947|4.730125|7.979956|4.387011|3.412754|49.772035|10.922029|8.751724|13.685419|36.858105| |1.563734|1.566111|1.624435|1.687809|1.683629|1.618613|1.727448|1.951069|0.053477|1.986622|3.207612|3.115390|2.578294|3.043149|0.062891|0.060591|2.951937|3.756625|5.742517|3.365926|2.755243|33.830449|7.665879|6.793611|7.961959|13.830961|36.858105| |1.559485|1.542071|1.586696|1.656987|1.677471|1.624718|1.680233|1.869046|0.050797|1.885037|3.045875|2.931867|2.428607|2.930897|0.060715|0.059344|2.837186|3.490839|5.021005|2.943278|2.518727|30.223015|6.590858|6.618181|6.990225|8.023221|13.757178|36.858105| |1.708351|1.671301|1.711822|1.799148|1.844284|1.793608|1.806743|2.002404|0.054022|1.990863|3.184165|3.100532|2.622665|3.203500|0.066876|0.065611|3.155880|3.812126|5.322388|3.038523|2.671843|33.771192|6.915021|7.920208|7.960119|6.832092|7.856004|13.821224|36.858105| |1.932019|1.894826|1.950074|2.055890|2.102010|2.032879|2.060379|2.321893|0.062599|2.283475|3.586634|3.607514|3.171717|3.823693|0.080711|0.077802|3.927017|4.849901|6.968006|3.732418|3.262255|49.725677|9.042576|11.704543|13.741436|7.871508|6.831765|8.022373|13.762543|36.858105| |1.418368|1.399069|1.433860|1.494459|1.517061|1.475816|1.514092|1.662775|0.045190|1.681725|2.749546|2.581450|2.094799|2.565383|0.052930|0.052215|2.406480|2.866940|4.031816|2.463858|2.151277|23.358052|5.278298|5.293596|4.712299|5.336723|8.203133|14.460415|8.209239|5.330680|97.533100| |2.220395|2.346371|2.752635|3.118958|2.836207|2.396069|3.901751|5.095159|0.124516|7.789052|11.980615|17.656967|7.347349|7.011476|0.116114|0.132154|5.990738|5.411289|6.261096|5.288568|5.656465|23.830495|5.382132|5.724844|2.849512|2.682291|2.331960|2.171434|2.248475|2.559582|4.333481|36.858105| |2.087252|2.158218|2.496024|2.882023|2.715572|2.294193|3.570502|4.198380|0.100218|5.875149|10.015201|10.360024|5.298446|5.795300|0.097568|0.119008|5.107846|4.622297|5.075191|3.891420|4.061263|20.462970|4.552829|5.043206|2.576373|2.428089|2.174214|2.068383|2.149779|2.395802|4.189750|12.444998|36.858105| |1.796021|1.848159|2.089697|2.347020|2.240260|1.948965|2.785202|3.182971|0.079587|4.104600|7.251409|6.802518|3.981134|4.425586|0.078263|0.090346|4.042138|4.095288|4.628395|3.467010|3.362380|18.840275|4.230279|4.515331|2.478323|2.408393|2.198038|2.078701|2.115960|2.302962|4.259381|7.608756|12.592726|36.858105| |1.642662|1.691086|1.901399|2.115909|2.021151|1.772913|2.494722|2.752450|0.069794|3.468536|6.459282|5.290523|3.160612|3.706669|0.066658|0.075886|3.146619|3.156679|3.728098|2.816266|2.760621|15.826756|3.628114|3.813271|2.110075|2.074696|1.927976|1.833393|1.852470|1.982425|3.818820|5.294944|7.511473|13.761940|36.858105| |1.475430|1.513495|1.678206|1.840602|1.771639|1.580360|2.117106|2.316772|0.059847|2.804657|5.160561|4.245884|2.669348|3.154565|0.057961|0.064429|2.706077|2.813534|3.396608|2.530001|2.414841|14.668414|3.387722|3.494578|2.006283|2.010242|1.900096|1.804271|1.796921|1.890009|3.803509|4.033851|5.023798|7.995506|13.740899|36.858105| |1.437117|1.469330|1.616052|1.761154|1.704822|1.534545|1.994637|2.207332|0.057463|2.620151|4.680878|4.070529|2.652825|3.079674|0.057186|0.062682|2.762000|3.005163|3.635473|2.649603|2.443225|15.603840|3.584149|3.655325|2.182984|2.222911|2.118061|1.996883|1.962702|2.046091|4.215053|3.838186|4.504536|7.008756|7.990403|13.790669|36.858105| |1.546134|1.579254|1.739993|1.903652|1.844535|1.655551|2.155087|2.436493|0.063152|2.900296|5.022194|4.712548|3.115634|3.489040|0.064534|0.070789|3.336979|3.796042|4.466296|3.184695|2.852453|18.494724|4.166609|4.271831|2.594278|2.638490|2.478388|2.314218|2.276875|2.400322|4.801613|4.571132|5.247857|8.370584|7.050966|8.034581|13.750250|36.858105| |1.729945|1.771616|1.976445|2.192711|2.112701|1.866956|2.529212|2.921577|0.074351|3.593757|6.100126|6.148784|3.920745|4.227225|0.076380|0.085750|4.216246|4.717205|5.253209|3.774945|3.432459|20.837987|4.611507|4.858191|2.817047|2.780501|2.537513|2.373222|2.386794|2.587217|4.830920|6.492159|7.928024|14.349363|8.012969|6.895039|7.995603|14.434765|53.358707| |17.732043|8.905747|5.644222|4.931287|5.643839|8.920089|3.542048|3.125334|0.087259|2.511871|4.085345|3.192261|2.578443|4.361293|0.099595|0.091270|2.433657|2.083530|2.803573|2.097379|2.468896|15.238332|3.701784|4.394557|1.850334|1.649486|1.502404|1.505761|1.649839|1.851618|3.096793|1.988484|1.879411|1.641644|1.509518|1.368213|1.338559|1.436243|2.167500|0.500000| |8.906427|17.727944|8.934706|5.632461|4.959236|5.650546|4.089401|3.683952|0.111313|2.863449|4.688693|3.506891|2.790955|4.749586|0.109310|0.092823|2.472306|2.126088|2.935314|2.297546|2.782239|15.619603|3.918888|4.350683|1.849347|1.672969|1.505635|1.477741|1.591261|1.793814|3.026381|2.154754|1.973161|1.713573|1.577552|1.423053|1.385417|1.483917|2.247049|0.214722|0.500000| |5.646651|8.944415|17.686266|8.878059|5.643761|4.952699|6.976555|6.052865|0.199945|4.246305|6.916917|4.767005|3.640521|6.542536|0.142978|0.120656|2.971572|2.477254|3.385951|2.766466|3.548562|17.052814|4.246174|4.644065|1.976470|1.797801|1.598830|1.547366|1.652488|1.876314|3.149125|2.796400|2.489449|2.093405|1.914084|1.689991|1.623169|1.741455|2.686580|0.124260|0.216350|0.500000| |5.650694|4.955980|5.642460|8.891751|17.679702|8.929723|6.991312|5.149125|0.119500|4.042382|6.343280|5.005908|3.890701|7.325008|0.144239|0.187038|3.705879|2.858124|3.523212|2.605078|3.176848|17.692450|4.028938|5.142165|2.136958|1.883105|1.702316|1.705910|1.881670|2.136110|3.477745|2.956200|2.921839|2.387895|2.149474|1.871978|1.794267|1.941806|3.043614|0.124269|0.107593|0.123852|0.500000| |8.918767|5.647696|4.955636|5.630664|8.916500|17.727339|4.089478|3.447836|0.089211|2.797895|4.496344|3.598382|2.899203|5.024659|0.109905|0.114674|2.849061|2.352646|3.024315|2.203415|2.592975|16.114077|3.748465|4.754218|1.979467|1.741626|1.591533|1.614275|1.793055|2.017166|3.315068|2.225079|2.167877|1.863655|1.701186|1.526276|1.486992|1.601834|2.443251|0.214826|0.124147|0.107536|0.216063|0.500000| |3.971631|4.180372|5.584926|8.854238|7.263719|4.755602|17.549962|8.872518|0.173628|6.986878|11.052622|7.223168|4.848758|9.189831|0.153350|0.212534|4.070330|3.095358|3.798428|2.965924|3.747761|17.870370|4.124249|4.920014|2.127756|1.916133|1.716036|1.681125|1.812831|2.055016|3.420428|4.006216|3.892279|2.977784|2.669833|2.239253|2.090776|2.252383|3.621316|0.090436|0.096191|0.140740|0.222424|0.113224|0.500000| |3.948460|4.621358|6.840038|8.796721|5.753491|4.234455|17.590829|9.021807|0.217389|6.721169|11.856540|6.367777|4.227332|7.579675|0.137060|0.148142|3.370269|2.712424|3.500661|2.849080|3.630523|16.599341|3.976651|4.455299|1.963138|1.796386|1.606532|1.556229|1.656204|1.867793|3.176635|3.632075|3.335962|2.655445|2.434316|2.071675|1.932464|2.057685|3.249047|0.089989|0.109352|0.198957|0.147964|0.097988|0.304701|0.500000| |2.986790|2.958063|3.267189|3.762717|3.816865|3.345534|3.920752|4.811336|0.118172|4.483625|6.279897|7.712318|8.946573|10.367008|0.204979|0.223077|17.593767|8.971610|9.264975|5.609155|6.557909|43.163282|7.978937|14.218656|4.508067|3.554711|2.960443|2.908072|3.341736|4.285211|5.517783|4.521471|4.017870|3.307247|2.686088|2.357886|2.407519|2.843216|4.677184|0.074332|0.073286|0.084655|0.110442|0.088165|0.109664|0.090651|0.500000| |2.638240|2.631467|2.981293|3.548133|3.558780|3.001601|4.028253|4.872708|0.112777|5.233593|7.372932|9.918465|8.843524|9.168792|0.153152|0.212261|17.572182|8.802902|7.596738|4.941903|5.487224|31.001890|6.161499|8.525572|3.668990|3.123329|2.696345|2.639155|2.927319|3.502458|5.139381|6.161539|5.990203|4.534380|3.473340|2.926274|2.945891|3.548528|6.246258|0.065475|0.065216|0.078438|0.108289|0.079559|0.120431|0.094376|0.301419|0.500000| |2.182721|2.172641|2.348538|2.596016|2.610088|2.373756|2.757655|3.265194|0.083845|3.394109|5.120716|5.954399|5.457958|5.693591|0.110926|0.117197|8.891715|17.631956|12.415136|5.669573|4.891385|49.497996|8.313116|11.881952|6.617882|5.135116|4.175210|4.041495|4.606658|6.019459|7.323138|4.286728|3.970342|3.656602|2.899260|2.642406|2.856445|3.577924|5.789887|0.056093|0.055680|0.062829|0.075810|0.064120|0.078171|0.067897|0.224174|0.209521|0.500000| |2.083049|2.124586|2.356640|2.609040|2.530049|2.247994|2.908974|3.574391|0.091467|4.050552|6.116299|7.741120|6.393361|5.914432|0.108956|0.116780|8.722185|17.621365|12.551695|7.024347|5.618542|38.380262|7.489084|8.484860|4.797492|4.345645|3.581168|3.279817|3.438381|4.102431|6.205654|6.351824|5.474745|5.087297|3.727042|3.308784|3.609903|4.820400|8.623915|0.053041|0.054624|0.064446|0.073302|0.059710|0.082409|0.072814|0.174552|0.215062|0.305583|0.500000| |2.194788|2.346481|2.580586|2.633104|2.421967|2.224376|2.813223|3.608197|0.105650|3.696075|5.605892|6.066534|5.470062|5.646393|0.117299|0.098752|4.875186|5.677448|12.449126|17.693730|8.869211|49.245856|14.602930|9.083322|4.685003|4.481573|3.404372|2.915180|2.954697|3.584861|5.503498|4.194075|3.229373|2.961093|2.487565|2.279548|2.392739|2.814104|4.366497|0.056280|0.062477|0.073577|0.065634|0.057420|0.073275|0.072389|0.125166|0.108194|0.127251|0.144468|0.500000| |2.110789|2.242028|2.522020|2.668785|2.452598|2.191778|2.995659|3.914757|0.108884|4.454668|6.724701|8.129158|6.622865|6.017861|0.114735|0.106721|5.816454|7.156501|12.600781|17.614246|8.744275|38.307477|9.120266|7.737989|4.158015|4.030734|3.204230|2.786786|2.814254|3.330117|5.338877|6.317294|4.407165|4.032025|3.213576|2.877543|3.035068|3.714262|6.086762|0.053616|0.058784|0.071726|0.068093|0.056749|0.080061|0.077181|0.132074|0.132087|0.145100|0.212571|0.303938|0.500000| |2.719888|3.040301|3.600309|3.709555|3.165023|2.762616|4.232895|6.368131|0.203687|6.397452|8.808030|9.918062|8.796862|9.155527|0.179410|0.139653|5.475393|4.883493|7.612717|8.819930|17.565082|31.574019|8.022925|7.474347|3.234373|2.966345|2.452800|2.238653|2.338011|2.772738|4.375830|5.546248|3.902165|3.245239|2.728225|2.381480|2.374724|2.714205|4.390116|0.067216|0.079208|0.106219|0.084108|0.068693|0.104189|0.108041|0.135873|0.124051|0.107785|0.126736|0.212130|0.212046|0.500000| |3.032291|3.290546|3.723500|3.833700|3.438547|3.087139|3.988634|5.531565|0.165132|4.849174|6.741818|7.666059|8.823427|10.121334|0.241472|0.156739|6.547547|5.660912|9.458850|8.962101|17.545405|44.931085|11.041320|11.481604|4.014410|3.435616|2.763355|2.553381|2.752318|3.419104|4.884538|4.342248|3.385252|2.863412|2.406936|2.137655|2.168052|2.499462|3.990571|0.075322|0.084913|0.103806|0.090568|0.077244|0.099596|0.096952|0.185853|0.135408|0.127838|0.130214|0.219905|0.174094|0.301826|0.500000| |1.709627|1.746024|1.836676|1.894848|1.847204|1.754586|1.961998|2.288437|0.063718|2.345452|3.740560|3.743150|3.156726|3.579294|0.074148|0.069029|3.478423|4.618675|8.360352|4.901598|3.621053|47.432344|11.865977|8.033930|8.881441|17.748566|8.948900|5.681302|4.933272|5.618753|9.641641|2.795985|2.474713|2.464887|2.124870|2.060573|2.279935|2.705605|3.875085|0.045160|0.046716|0.050843|0.051318|0.047101|0.053325|0.050712|0.094472|0.084324|0.129704|0.121421|0.146072|0.126676|0.088628|0.099650|0.500000| |1.449650|1.458203|1.513446|1.565661|1.554027|1.494092|1.608682|1.809684|0.049818|1.856634|3.030743|2.886498|2.339910|2.773159|0.057043|0.055061|2.615001|3.263181|4.959976|3.055672|2.508764|27.832500|6.639668|5.683308|5.637878|8.877415|17.755058|8.941137|5.628450|4.934114|16.781858|2.188753|2.046978|2.099853|1.864950|1.861221|2.087934|2.417352|3.300296|0.038753|0.039118|0.041613|0.043590|0.040759|0.044363|0.041901|0.071916|0.067101|0.097761|0.089031|0.086952|0.082716|0.063233|0.069238|0.213318|0.500000| |1.668179|1.616113|1.643490|1.730582|1.793759|1.758118|1.725778|1.883641|0.050614|1.863284|2.997084|2.866767|2.399679|2.995248|0.062520|0.062094|2.875184|3.328768|4.502356|2.652410|2.401533|27.790546|5.823535|6.918345|5.639605|4.934236|5.625250|8.959659|17.755205|8.856957|16.769168|2.071651|2.011996|1.978708|1.749618|1.700082|1.845282|2.113540|3.002442|0.045008|0.042712|0.043837|0.051053|0.049305|0.048357|0.043970|0.085305|0.075682|0.110912|0.084186|0.071366|0.068743|0.058937|0.068875|0.107249|0.124450|0.500000| |2.110208|2.042748|2.088606|2.215970|2.301076|2.239769|2.190399|2.447647|0.065499|2.361476|3.680775|3.704522|3.314456|4.109600|0.087810|0.084937|4.187093|4.820543|6.603771|3.613700|3.323656|47.410768|8.491371|13.714820|8.918141|5.621916|4.934415|5.680715|8.912563|17.764114|9.627962|2.564714|2.414970|2.275247|1.958736|1.847476|1.972928|2.297076|3.415187|0.056198|0.053329|0.055156|0.065105|0.062172|0.060826|0.054585|0.134157|0.103895|0.167034|0.109999|0.094958|0.088467|0.077895|0.098775|0.123883|0.107269|0.212503|0.500000| |2.111068|2.262834|2.663235|2.949139|2.631679|2.242098|3.704887|4.759782|0.122036|7.384030|13.103513|12.528935|5.758337|6.036316|0.103269|0.111815|4.587785|4.294191|5.367611|4.733049|5.031904|21.215175|4.976404|5.040873|2.557569|2.456782|2.153613|1.992869|2.038575|2.291814|4.014689|17.620795|8.834873|6.685514|5.247789|4.038665|3.742526|4.238308|7.571146|0.052679|0.058366|0.076825|0.075046|0.057571|0.103273|0.099980|0.102743|0.127646|0.097825|0.136302|0.109995|0.159783|0.149370|0.109283|0.072108|0.056897|0.052301|0.063388|0.500000| |2.106962|2.212493|2.542627|2.824687|2.611115|2.255962|3.370226|4.347905|0.110572|5.801476|8.879552|12.470642|7.150210|6.400043|0.110808|0.120098|6.434252|6.731117|7.749482|6.518887|6.069995|27.244839|6.066928|6.264456|3.263904|3.104356|2.653953|2.428589|2.491841|2.855954|4.789971|17.731142|8.893298|7.258895|4.929832|4.002697|4.057007|5.162205|10.243232|0.052939|0.056913|0.071510|0.075081|0.058663|0.094774|0.086714|0.131639|0.172340|0.140417|0.245135|0.137000|0.240049|0.156467|0.126986|0.090944|0.068990|0.062831|0.078082|0.303752|0.500000| |2.185286|2.221489|2.548780|2.997344|2.905847|2.444757|3.643784|4.198214|0.098057|5.433774|8.724493|9.725534|5.565575|6.176027|0.103360|0.133530|5.988766|5.151292|5.292277|3.842082|4.042404|21.581222|4.667017|5.457383|2.734174|2.522122|2.261968|2.184631|2.308636|2.588955|4.406958|8.853235|17.551847|8.987703|5.934934|4.361797|4.087710|4.861311|9.691580|0.054610|0.055913|0.069218|0.088770|0.064781|0.113212|0.091624|0.128870|0.220394|0.125933|0.165355|0.087913|0.115866|0.103559|0.095837|0.070073|0.058457|0.060331|0.073441|0.174104|0.206781|0.500000| |2.108063|2.188638|2.556028|2.977170|2.779741|2.322895|3.794825|4.269270|0.100859|6.116529|11.595018|9.137984|4.626726|5.513902|0.092826|0.114312|4.271564|3.755236|4.299294|3.346017|3.613701|18.056910|4.091448|4.517088|2.273939|2.145947|1.939596|1.857469|1.932258|2.137307|3.798116|8.845432|17.594492|8.850580|7.212342|4.737954|4.002461|4.307957|7.823755|0.052518|0.055451|0.071089|0.083505|0.060745|0.117646|0.100927|0.098034|0.137333|0.091869|0.117150|0.079332|0.102753|0.099574|0.085581|0.060716|0.050989|0.050698|0.060262|0.218032|0.174764|0.302453|0.500000| |1.666015|1.719973|1.945185|2.173369|2.065346|1.800575|2.594699|2.803964|0.070776|3.559565|6.908469|5.164825|3.031429|3.669669|0.065755|0.075411|2.944207|2.854526|3.410296|2.608673|2.632601|14.732294|3.404416|3.596468|1.944157|1.898304|1.764249|1.686758|1.714168|1.837190|3.523046|4.923892|6.909129|8.901796|17.736417|8.878886|5.659280|5.045982|7.759726|0.042409|0.044503|0.054533|0.061146|0.047866|0.077820|0.071351|0.070734|0.090451|0.072886|0.090699|0.064496|0.081320|0.073307|0.064213|0.053939|0.047365|0.045226|0.050847|0.140440|0.120630|0.152084|0.219041|0.500000| |1.387811|1.423427|1.571867|1.714377|1.651715|1.481378|1.960211|2.110964|0.054887|2.518314|4.701100|3.705289|2.351152|2.841257|0.052607|0.058098|2.362929|2.430145|2.982447|2.230401|2.149435|13.148629|3.066796|3.149054|1.803464|1.811218|1.725736|1.646028|1.636624|1.709620|3.500279|3.382159|4.077610|5.663978|8.898279|17.724347|8.902233|5.675235|6.756541|0.035870|0.037311|0.044053|0.048373|0.039817|0.057518|0.053807|0.058150|0.070546|0.063929|0.077479|0.056604|0.069527|0.059389|0.053461|0.051532|0.047204|0.043271|0.046520|0.095922|0.092011|0.100339|0.112125|0.213328|0.500000| |1.332328|1.359564|1.483434|1.603569|1.558000|1.415808|1.793752|1.968005|0.051701|2.289146|4.090471|3.502831|2.332947|2.746307|0.051611|0.055874|2.433272|2.664070|3.290134|2.384710|2.187625|14.431941|3.343819|3.371125|2.052104|2.116796|2.050149|1.935305|1.881269|1.933034|4.138275|3.181086|3.594000|5.025542|5.651159|8.868268|17.745451|8.901898|7.759475|0.034663|0.035781|0.041400|0.045371|0.038245|0.051962|0.048438|0.059968|0.071263|0.071432|0.086993|0.060844|0.074953|0.059189|0.054626|0.060268|0.056812|0.049312|0.051491|0.087021|0.093661|0.092803|0.090855|0.123754|0.212306|0.500000| 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