Version2.1 2020-12-15T07:26:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)CN(c1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N)C(=O)C[NH+](C)Cc3ccc(s3)Cl C18938959 RHF 6-31G(d) (6D,7F) CC(C)CN(c1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N)C(=O)C[NH+](C)Cc3ccc(s3)Cl C01[X(C23H29Cl1N5O3S1)] 180 C1 561 CC(CN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)C[NH+](Cc1ccc(s1)Cl)C)C CC(CN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)C[NH+](Cc1ccc(s1)Cl)C)C CC(C)CN(C(=O)C[NH+](C)Cc1sc(Cl)cc1)C2=C(N)N(Cc3ccccc3)C(=O)NC2=O InChIKey=ZMZLLQDACLURLL-UHFFFAOYSA-O InChI=1S/C23H28ClN5O3S/c1-15(2)11-28(19(30)14-27(3)13-17-9-10-18(24)33-17)20-21(25)29(23(32)26-22(20)31)12-16-7-5-4-6-8-16/h4-10,15H,11-14,25H2,1-3H3,(H,26,31,32)/p+1 InChI=1/C23H28ClN5O3S/c1-15(2)11-28(19(30)14-27(3)13-17-9-10-18(24)33-17)20-21(25)29(23(32)26-22(20)31)12-16-7-5-4-6-8-16/h4-10,15H,11-14,25H2,1-3H3,(H,26,31,32)/p+1/fC23H29ClN5O3S/h26-27H/q+1 CC(C)CN(c1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N)C(=O)C[NH+](C)Cc3ccc(s3)Cl C01[X(C23H29Cl1N5O3S1)] 180 C01 561 CC(CN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)C[NH+](Cc1ccc(s1)Cl)C)C CC(C[N]([C](=O)C[NH](CC1=[CH][CH]=C(S1)Cl)C)[C]1[C]([NH2])N(C(=O)NC1=O)C[C]1[CH][CH][CH][CH][CH]1)C CC(C)CN([C]1[C](N)N(C[C]2[CH][CH][CH][CH][CH]2)C(=O)NC1=O)C(=O)C[NH](C)Cc3sc(Cl)cc3 InChIKey=AYSCWKRYIWVGRW-UHFFFAOYSA-N InChI=1S/C23H29ClN5O3S/c1-15(2)11-28(19(30)14-27(3)13-17-9-10-18(24)33-17)20-21(25)29(23(32)26-22(20)31)12-16-7-5-4-6-8-16/h4-10,15,27H,11-14,25H2,1-3H3,(H,26,31,32) InChI=1/C23H29ClN5O3S/c1-15(2)11-28(19(30)14-27(3)13-17-9-10-18(24)33-17)20-21(25)29(23(32)26-22(20)31)12-16-7-5-4-6-8-16/h4-10,15,27H,11-14,25H2,1-3H3,(H,26,31,32)/f/h26H 3738.0593820310 -2241.5207534 1-A 23598.2366 129 432 561 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1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 34.96885 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 11766.1478 35287.5965 40516.9677 0.99991 0.01297 -0.00413 -0.01295 0.99991 0.00384 0.00418 -0.00379 0.99998 1 0.00736 0.00245 0.00214 0.15338 0.05114 0.04454 16.35 17.77 25.71 43.44 48.03 57.26 68.74 73.51 75.83 91.04 99.44 120.56 131.26 165.34 185.02 197.07 241.28 264.93 275.71 283.14 320.04 325.56 336.16 360.21 368.92 385.97 396.47 423.11 445.42 494.80 512.89 536.39 537.68 571.72 586.64 620.57 638.14 653.99 658.26 673.05 675.24 705.72 715.69 731.78 750.90 756.73 806.73 833.21 873.32 893.25 904.60 916.31 954.46 976.38 1001.58 1020.78 1027.95 1052.36 1085.53 1101.72 1114.43 1144.31 1152.83 1158.29 1203.42 1223.65 1244.13 1280.24 1281.67 1284.20 1343.96 1367.90 1386.45 1387.18 1443.07 1457.08 1464.66 1484.50 1487.67 1500.27 1507.75 1516.96 1531.09 1567.18 1575.75 1597.01 1601.70 1626.39 1638.13 1664.79 1701.04 1704.13 1721.81 1739.01 1765.67 1784.54 1787.63 1814.24 1825.57 1850.04 1868.26 1873.75 1879.03 1882.89 1911.08 1931.49 1964.32 1979.66 1981.30 2008.40 2026.97 2073.51 2083.70 2091.79 2112.38 2138.91 2149.86 2161.68 2186.00 2209.73 2221.24 2239.81 2246.87 2251.15 2261.11 2274.91 2295.94 2311.30 2334.88 2339.59 2343.09 2345.07 2353.86 2355.19 2360.07 2364.61 2373.04 2374.46 2379.07 2382.06 2384.99 2391.84 2405.28 2553.39 2566.84 2572.91 2604.74 2665.12 2754.69 2797.81 2862.82 4591.65 4619.66 4643.65 4668.48 4675.85 4700.42 4703.30 4709.76 4717.01 4727.18 4731.01 4745.36 4772.19 4790.24 4811.86 4827.90 4835.67 4844.46 4846.69 4860.90 4875.38 4876.45 4882.63 4888.22 4938.45 5160.79 5486.80 5532.20 5643.09 0.548859 0.579480 0.580424 0.481327 -2240.971895 -2240.941273 -2240.940329 -2241.039426 3.323730D-04 MUNgauss RevisionA2.0 retrievium 15-Dec-2020 DUDE CC(C)CN(c1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N)C(=O)C[NH+](C)Cc3ccc(s3)Cl C18938959 RHF 6-31G(d) (6D,10F) C1 490.167965 |X|Y|Z| 69.752256 44.015749 129.596901 73.550731 23 6 7 16 18 4 1 |36.858105| |12.419710|36.858105| |7.590216|12.431753|36.858105| |7.588918|12.326295|7.442467|36.858105| |4.996966|7.392380|5.635475|12.918718|53.358707| |4.032896|5.812316|5.485466|7.617425|18.197079|36.858105| |3.363872|4.425762|4.455261|5.722733|10.626140|13.995784|36.858105| |2.831300|3.588646|3.841318|4.177967|7.011940|8.007873|13.868565|53.358707| |2.693325|3.420589|3.751529|3.704473|6.141477|6.806759|7.903810|18.634522|36.858105| |2.334412|2.858744|3.157647|3.019124|4.789717|4.773765|5.437576|11.446641|15.982737|73.516695| |3.013812|3.977573|4.315761|4.140567|7.089012|8.061270|7.063304|11.112385|13.946071|15.122997|53.358707| |2.778068|3.561792|3.889510|3.547729|5.807542|5.819263|5.155283|8.041919|9.480875|13.933164|25.956424|0.500000| |3.705353|5.268976|5.316520|5.590218|10.631509|13.230975|7.824158|9.242232|7.748879|9.592290|18.811942|0.259429|36.858105| |3.913482|5.550781|5.308645|5.302083|9.313497|8.121896|5.363163|6.471040|5.394707|7.545448|11.527865|0.214932|15.841404|73.516695| |2.442939|2.942419|3.167566|3.378833|5.265223|5.101366|7.652083|17.542103|7.784119|12.441829|7.054815|0.118925|4.453718|6.182605|36.858105| |2.163113|2.537585|2.622450|2.946890|4.646139|4.200494|5.862266|10.299471|5.525328|9.392167|5.592143|0.098246|3.678023|5.326796|12.564189|36.858105| |2.006316|2.346694|2.389622|2.683228|4.325943|3.872075|4.965081|8.477632|5.314710|9.466246|5.545747|0.100238|3.576385|5.274196|7.524178|13.680370|36.858105| |1.801679|2.061588|2.067451|2.347981|3.722452|3.154732|3.823014|5.918971|3.865828|6.929209|4.364385|0.081242|2.926058|4.484087|5.011292|7.916743|13.783154|36.858105| |1.729972|1.947401|1.945875|2.230659|3.447217|2.830179|3.423745|5.068859|3.223436|5.698061|3.720233|0.069282|2.566667|3.982699|4.428641|6.838252|7.924601|13.714862|36.858105| |1.825019|2.049485|2.062672|2.371474|3.596953|2.946360|3.672970|5.380948|3.265593|5.678962|3.730407|0.068560|2.600266|4.000794|5.014668|7.894968|6.869981|7.948022|13.783862|36.858105| |2.040770|2.331653|2.385194|2.722285|4.138728|3.511218|4.661740|7.109012|4.015227|6.856109|4.396996|0.078962|3.029365|4.537129|7.573880|13.722025|7.947706|6.891844|7.941405|13.714485|36.858105| |3.242829|4.017244|3.909112|5.488882|9.115044|8.012457|14.055780|11.150754|5.266279|7.380793|6.401153|0.104825|5.160649|7.181384|6.889325|6.012842|4.759495|3.863007|3.679853|4.165041|5.380537|53.358707| |4.287955|5.622605|4.291619|7.684874|19.250917|8.133643|5.684298|5.727417|3.880212|5.585487|6.166513|0.108414|6.442692|11.402378|3.288272|3.065429|2.989129|2.651240|2.441708|2.479306|2.752334|6.953342|36.858105| |3.393032|4.250313|3.539262|5.286576|11.469942|7.083564|5.437743|5.793136|4.016066|5.832040|6.341833|0.112779|6.213890|10.781711|3.326046|3.208428|3.261678|2.913432|2.623715|2.592635|2.832220|6.518122|15.839633|73.516695| |4.678808|5.456639|3.911202|6.608304|10.460219|5.104011|3.974642|4.311538|2.991599|4.501336|4.677084|0.086480|4.522450|8.719542|2.621752|2.475286|2.418703|2.208459|2.075551|2.108295|2.291124|5.162848|12.404874|14.488556|36.858105| |3.498171|3.891515|3.056907|4.380609|7.011008|4.016974|3.309743|3.771291|2.676613|4.126905|4.147495|0.078843|3.794717|7.398876|2.340589|2.271842|2.284352|2.131806|1.995178|1.984738|2.107771|4.303943|7.809960|13.313873|12.758232|53.358707| |3.222682|3.721013|3.023503|4.177320|7.162963|4.329492|3.532736|4.062173|2.926966|4.491993|4.601668|0.087671|4.221507|8.282072|2.482575|2.419035|2.474722|2.298682|2.115750|2.078592|2.207833|4.462551|8.316464|17.322551|9.529293|25.530392|0.500000| |2.987325|3.209355|2.608148|3.733279|5.823967|3.450706|3.028718|3.479057|2.415413|3.776540|3.596139|0.068157|3.149727|5.828081|2.225383|2.221086|2.239199|2.139749|2.036254|2.020566|2.105208|4.128760|5.889832|10.678484|7.716266|17.378282|0.262408|36.858105| |3.330429|3.525161|2.816919|3.633033|5.373544|3.250462|2.718610|3.208008|2.332118|3.669427|3.629562|0.070981|3.229720|6.527543|2.022636|1.950937|1.964691|1.843653|1.730930|1.719893|1.818143|3.512536|5.168912|8.771973|7.626863|17.148657|0.254545|7.582347|36.858105| |2.646326|2.789864|2.343607|2.870508|4.288781|2.744039|2.370642|2.875497|2.113688|3.387737|3.246820|0.064537|2.777147|5.527808|1.841254|1.803919|1.846708|1.759108|1.648791|1.616878|1.685074|3.070064|3.970583|7.286775|4.977320|10.350428|0.196292|6.307366|12.762824|36.858105| |2.338216|2.399549|2.047575|2.471329|3.602402|2.331745|2.066958|2.532283|1.850015|3.000537|2.786519|0.055490|2.331517|4.537913|1.652471|1.633236|1.670201|1.610925|1.526233|1.496818|1.544771|2.724166|3.205573|5.836469|3.919054|7.342500|0.137095|5.314055|7.491487|14.129762|36.858105| |2.014110|2.081940|1.823128|2.135584|3.134626|2.091079|1.881694|2.347629|1.731162|2.842844|2.589683|0.052120|2.118790|4.095682|1.545204|1.538805|1.590742|1.547649|1.462501|1.421017|1.454764|2.471590|2.731803|5.101691|3.140672|5.574642|0.111611|4.102733|5.053429|8.193531|13.297845|36.858105| |1.992683|2.102818|1.860839|2.149299|3.216777|2.185868|1.959028|2.465915|1.842686|3.033486|2.779342|0.056456|2.259917|4.404032|1.612088|1.604945|1.676734|1.626920|1.519721|1.464892|1.501569|2.534923|2.815811|5.400256|3.124489|5.536988|0.117802|3.887254|4.846413|7.727134|8.289496|14.176439|36.858105| |2.340917|2.539161|2.213723|2.589753|3.981778|2.684917|2.334824|2.904829|2.189034|3.547009|3.390398|0.068804|2.829115|5.677377|1.854143|1.823917|1.904684|1.816250|1.675585|1.618791|1.681345|2.958383|3.617593|7.066730|4.021991|7.518515|0.171514|4.665666|6.742828|10.944568|7.439213|7.411383|11.017528|388.023441| |1.718055|1.817368|1.648064|1.850158|2.765407|1.932041|1.762456|2.264072|1.708408|2.857676|2.549490|0.052401|2.017894|3.885516|1.497229|1.500533|1.583831|1.550501|1.444584|1.380024|1.403844|2.276337|2.353275|4.549511|2.502331|4.174945|0.090409|2.976799|3.421885|4.600524|4.809054|6.961076|11.141473|45.453752|448.794386| |17.576571|8.781626|7.013753|5.498631|5.555431|3.499861|2.959157|3.507429|2.512107|3.933406|3.844661|0.073949|3.383656|6.497712|2.243780|1.986346|1.856295|1.671835|1.601590|1.680794|1.870307|3.826561|3.622827|5.305318|3.935144|4.239260|0.080688|2.659582|3.084374|2.502573|2.226306|1.936490|1.921137|15.944955|13.400195|0.500000| |17.514026|8.708760|5.487368|6.855954|6.563344|3.742222|3.131071|3.573591|2.492793|3.859721|3.788830|0.071609|3.424432|6.510837|2.277609|2.061284|1.932929|1.756148|1.691097|1.772716|1.956934|4.175007|4.449046|6.211012|5.353430|5.365644|0.097165|3.353673|3.812075|2.940433|2.601879|2.195540|2.141217|17.857548|14.583859|0.301981|0.500000| |17.532636|8.751346|6.804909|6.918718|6.163115|3.757147|3.287310|3.779525|2.587662|4.015924|3.821930|0.071476|3.350276|6.040673|2.452852|2.170496|1.984608|1.786580|1.734943|1.852419|2.078221|4.465805|3.807722|5.468556|4.019216|4.202341|0.079442|2.746130|2.897530|2.361783|2.124181|1.847686|1.821010|14.948968|12.731592|0.302297|0.301633|0.500000| |8.871876|17.552563|8.941316|8.853685|9.769102|5.722961|4.175567|4.707382|3.427124|5.101618|5.679328|0.106121|5.744606|12.113742|2.795412|2.441460|2.311259|2.036780|1.901888|1.969917|2.217315|4.990180|6.126689|8.269181|6.139835|5.979417|0.117934|3.425911|4.072261|3.152144|2.642660|2.279147|2.324720|20.499853|15.969375|0.211106|0.212329|0.173043|0.500000| |6.902661|8.780556|17.530322|6.745172|6.757945|4.868524|4.304136|5.093098|3.520423|5.353255|5.190003|0.094987|4.441737|7.514277|3.214688|2.645772|2.360192|2.047633|1.954133|2.104102|2.451027|5.414305|3.786124|5.635062|3.468479|3.743478|0.075053|2.423100|2.522633|2.126808|1.887969|1.688540|1.711732|14.228213|12.247107|0.173659|0.139870|0.202843|0.173956|0.500000| |5.490221|8.716483|17.621927|6.724089|8.136395|6.681179|5.283473|6.336625|4.692040|6.800192|7.626631|0.136600|6.934693|11.570549|3.661312|2.932920|2.671112|2.263625|2.097990|2.214871|2.595484|5.851286|4.457862|6.727220|3.807080|4.134867|0.085815|2.588071|2.757926|2.328340|2.021210|1.817794|1.878452|16.016470|13.462575|0.142211|0.122171|0.139271|0.212505|0.301374|0.500000| |6.964064|8.813221|17.570874|5.448619|6.022124|4.338260|3.621882|4.445136|3.304059|5.108891|5.197630|0.100020|4.498548|8.445770|2.760411|2.321880|2.147411|1.878144|1.768005|1.859298|2.121632|4.368247|3.644936|5.508011|3.466290|3.821697|0.077039|2.392426|2.680874|2.255334|1.981394|1.773575|1.811424|15.235257|12.943564|0.212269|0.142164|0.168602|0.214975|0.301833|0.303103|0.500000| |6.390238|8.797073|7.257622|17.603739|12.583868|7.165994|6.221662|6.123487|3.803889|5.527079|5.480781|0.094844|5.074721|8.051117|3.737845|3.187134|2.803897|2.433626|2.340464|2.545233|2.983403|8.749103|5.825305|7.914498|4.932483|4.889114|0.096629|3.222555|3.031438|2.486894|2.185987|1.919881|1.931777|16.213939|13.567625|0.135115|0.153841|0.185947|0.175892|0.213150|0.185335|0.144356|0.500000| |7.549578|8.784965|5.548449|17.583428|12.498226|5.671617|4.637005|4.782187|3.125760|4.655054|4.659438|0.083532|4.406863|7.680465|2.961530|2.680837|2.465568|2.208977|2.127889|2.258058|2.537570|6.495758|7.260559|8.925162|7.495923|6.475556|0.119358|4.172982|3.903917|3.022505|2.629302|2.233180|2.207420|18.690305|15.065947|0.147716|0.221036|0.196907|0.196645|0.146625|0.136947|0.124068|0.306700|0.500000| |2.271322|2.709838|2.985805|2.987772|4.556038|4.337139|5.764338|12.653681|7.849426|15.163420|6.888700|0.121572|4.102407|5.834197|17.699174|8.894642|6.621622|4.581339|3.994982|4.361826|6.024526|6.851757|2.899332|5.230360|2.365816|2.909231|0.063043|2.019976|1.881247|1.727244|1.554867|1.464466|1.533922|12.493151|11.542134|0.058907|0.058592|0.063134|0.072230|0.083865|0.096472|0.073898|0.090448|0.072985|0.500000| |2.553124|3.041334|3.314241|3.522530|5.231516|4.844133|7.131159|12.464316|5.964289|9.470434|6.056091|0.103529|4.068296|5.776471|17.619770|8.859637|5.573078|4.181709|3.980063|4.776126|7.321872|10.018141|3.185337|5.543294|2.587156|3.095344|0.065888|2.172610|1.972462|1.781454|1.607375|1.494443|1.545090|12.564775|11.464089|0.064758|0.065553|0.072609|0.078197|0.096691|0.104465|0.079391|0.112784|0.085827|0.303427|0.500000| |2.037507|2.410958|2.468793|2.710561|4.438059|4.086391|5.037982|9.051371|6.407077|11.887360|6.510122|0.118860|3.981215|5.824305|6.969538|8.894949|17.723821|8.938435|5.643190|4.951248|5.648133|6.038902|3.093003|6.098789|2.480691|3.207385|0.071888|2.267838|2.036263|1.919567|1.721679|1.645448|1.752239|14.303139|13.336490|0.052678|0.054402|0.055349|0.066932|0.066651|0.077792|0.061959|0.077377|0.068451|0.184633|0.140258|0.500000| |1.699814|1.936000|1.931531|2.176869|3.455097|2.892915|3.359974|5.124193|3.532480|6.426125|4.119236|0.078388|2.759943|4.310864|4.087579|5.639336|8.942642|17.722954|8.905568|5.651540|4.962263|4.509038|2.516822|4.993461|2.120611|2.839259|0.062942|2.097051|1.817466|1.757686|1.613486|1.565547|1.657290|13.087818|12.818190|0.044068|0.046267|0.046511|0.053733|0.052686|0.058594|0.049198|0.061750|0.057195|0.107540|0.096126|0.216074|0.500000| |1.596942|1.776097|1.763978|2.017879|3.086882|2.479910|2.905531|4.208163|2.750987|4.884803|3.262558|0.061606|2.274674|3.594767|3.543370|4.934525|5.641911|8.900912|17.724881|8.922705|5.645033|4.237929|2.220211|4.246114|1.923703|2.550168|0.054995|1.933355|1.638105|1.575854|1.471567|1.419263|1.471704|11.400651|11.306279|0.041226|0.043631|0.044477|0.048364|0.049159|0.052359|0.044870|0.058364|0.054072|0.090908|0.090591|0.124186|0.214730|0.500000| |1.736210|1.919616|1.926010|2.212159|3.283785|2.622347|3.185792|4.533656|2.798139|4.863934|3.274865|0.060708|2.316623|3.618422|4.095177|5.630781|4.950924|5.646119|8.917630|17.722938|8.912113|4.993756|2.270835|4.171783|1.970490|2.528900|0.053501|1.909220|1.621317|1.526875|1.425249|1.353384|1.385844|10.788161|10.486374|0.044475|0.047000|0.049309|0.051017|0.054995|0.056720|0.048456|0.066157|0.059239|0.101203|0.113765|0.107504|0.124131|0.214745|0.500000| |2.103616|2.382616|2.460310|2.784361|4.098369|3.419574|4.513206|6.640596|3.731851|6.310973|4.159240|0.074707|2.912533|4.387271|7.031213|8.900110|5.642399|4.959095|5.651364|8.920828|17.680797|7.416565|2.670745|4.760174|2.251868|2.781303|0.058730|2.037457|1.772351|1.630501|1.499102|1.404729|1.440607|11.445084|10.768260|0.053433|0.055670|0.060333|0.061958|0.071620|0.073649|0.060556|0.086810|0.072159|0.157353|0.225608|0.123994|0.107637|0.124234|0.215771|0.500000| |3.496223|4.274028|3.899682|6.321557|10.552822|7.541547|9.570050|8.113318|4.345740|6.237211|5.653810|0.094955|4.824695|7.049165|5.075403|4.735262|4.017820|3.445084|3.338926|3.709159|4.466635|26.048958|5.937353|9.443109|4.390619|4.842315|0.100506|3.464933|2.828557|2.433402|2.156611|1.931612|1.962607|16.309289|13.962635|0.082330|0.093874|0.098320|0.107602|0.109550|0.114486|0.088794|0.201728|0.160309|0.110846|0.148892|0.105130|0.084109|0.080659|0.093475|0.125858|0.500000| |2.780666|3.319970|3.274048|4.279363|6.871371|5.908111|9.423116|10.287316|4.904110|7.236458|5.675960|0.095520|4.302852|6.147249|7.715871|7.760740|5.647533|4.568666|4.469453|5.306671|7.301046|26.009325|4.219320|7.393467|3.268287|3.863477|0.082112|2.792893|2.344476|2.092467|1.878542|1.723494|1.769083|14.476056|12.894901|0.068191|0.073800|0.078552|0.085589|0.093133|0.099300|0.076984|0.135291|0.107872|0.149287|0.227114|0.136300|0.104459|0.101804|0.126090|0.201000|0.317371|0.500000| |4.808664|5.166358|3.705829|6.592381|9.110086|4.500266|3.716400|4.025912|2.728920|4.150145|4.123823|0.076136|3.836702|7.091687|2.516786|2.395788|2.308565|2.129661|2.038415|2.094901|2.266698|5.102501|8.658303|11.021373|17.654844|12.320471|0.187076|7.622971|6.270729|4.363833|3.672613|2.939132|2.841695|24.580610|18.460342|0.109288|0.159974|0.119026|0.148105|0.094722|0.097571|0.090943|0.141324|0.243590|0.062767|0.070210|0.064646|0.056435|0.052700|0.054999|0.062594|0.124250|0.090268|0.500000| |5.572949|6.481344|4.382340|6.702063|9.378203|4.824790|3.691329|4.103245|2.919344|4.416983|4.666448|0.087761|4.550369|9.343210|2.493321|2.310237|2.249197|2.042088|1.915745|1.950653|2.130743|4.675081|8.849924|11.165433|17.652072|12.297177|0.205282|5.709236|7.656354|4.843303|3.797645|3.050669|3.045023|28.046086|19.655453|0.131437|0.181632|0.124269|0.224778|0.104208|0.115317|0.110211|0.135128|0.201202|0.063446|0.068623|0.064587|0.054574|0.049351|0.050745|0.058553|0.106837|0.082249|0.301773|0.500000| |2.590289|2.768758|2.317155|3.120935|4.850322|3.027122|2.703408|3.192490|2.249621|3.568515|3.335746|0.064154|2.848343|5.294922|2.063894|2.082308|2.132977|2.065268|1.959714|1.918586|1.973718|3.653997|4.694503|9.049498|5.618805|12.313452|0.225882|17.688897|6.966182|7.157718|6.325138|4.952491|4.640979|38.036735|27.656942|0.065430|0.079626|0.066446|0.082532|0.059905|0.064382|0.059841|0.076408|0.094171|0.052538|0.055545|0.060280|0.056985|0.052182|0.050414|0.052697|0.083146|0.069911|0.149100|0.127091|0.500000| |2.943701|3.232391|2.657437|3.941788|6.409974|3.797098|3.403414|3.840174|2.606531|4.043018|3.817136|0.071181|3.334384|5.950753|2.455819|2.484497|2.502210|2.395241|2.284459|2.268492|2.360653|4.745125|6.522356|12.343841|7.236369|12.382684|0.228445|17.669549|5.565811|4.787224|4.138030|3.427120|3.345053|28.226416|21.616671|0.071984|0.089835|0.076443|0.093694|0.069266|0.074074|0.066645|0.096188|0.121543|0.061042|0.066460|0.069704|0.064746|0.059969|0.059293|0.063103|0.113064|0.089458|0.204353|0.144276|0.299936|0.500000| |3.062098|3.155052|2.542749|3.636268|5.318165|3.125116|2.775695|3.197995|2.208512|3.475042|3.259543|0.061925|2.833031|5.234384|2.075470|2.062088|2.051246|1.965815|1.896653|1.903230|1.981826|3.855268|5.000849|8.436784|6.925856|12.315257|0.181891|17.633767|6.916535|5.623809|5.161081|3.888388|3.521655|28.470730|21.864155|0.075479|0.097975|0.078855|0.091881|0.066345|0.068757|0.065127|0.087793|0.117325|0.052473|0.057045|0.057235|0.053239|0.050212|0.050485|0.053909|0.090333|0.072515|0.221096|0.150992|0.299100|0.297829|0.500000| |3.453685|3.471343|2.745600|3.558065|4.986010|2.981674|2.535409|2.987820|2.147625|3.395454|3.291261|0.064153|2.899047|5.745114|1.910008|1.841566|1.834734|1.728951|1.642578|1.645880|1.737509|3.343688|4.554829|7.414885|6.922732|12.344764|0.180013|6.968849|17.622482|8.955324|7.084482|4.663867|4.186205|36.338626|24.485379|0.088678|0.113895|0.083881|0.108402|0.069213|0.073100|0.072903|0.083020|0.110078|0.049331|0.052337|0.052310|0.047113|0.043308|0.043443|0.047455|0.075351|0.062092|0.180541|0.197900|0.171855|0.142886|0.208985|0.500000| |3.622754|3.902486|3.102032|3.813798|5.591198|3.421462|2.793322|3.314876|2.451737|3.845866|3.905455|0.077144|3.526912|7.462985|2.065854|1.961215|1.969949|1.827400|1.704065|1.696800|1.810363|3.525103|5.220152|8.640868|7.313488|12.430194|0.220777|5.599777|17.617507|8.901429|5.771571|4.342348|4.390130|45.170731|26.070744|0.094879|0.113717|0.085177|0.131626|0.075419|0.084349|0.083114|0.087172|0.110160|0.053740|0.055875|0.057227|0.049973|0.044571|0.044267|0.049112|0.077763|0.064822|0.158287|0.241577|0.142864|0.126854|0.143213|0.301100|0.500000| |2.360208|2.366929|2.008381|2.442697|3.479298|2.227561|1.988324|2.425423|1.755169|2.847403|2.621498|0.051923|2.193134|4.226864|1.594557|1.575431|1.597002|1.543240|1.475665|1.457515|1.503285|2.655271|3.045023|5.400946|3.801114|6.773710|0.120734|5.171991|6.667684|8.903268|17.727592|8.623373|5.759041|37.611690|31.158706|0.062291|0.073954|0.059955|0.071412|0.051865|0.054468|0.053991|0.060254|0.073443|0.041597|0.043427|0.045381|0.042708|0.039583|0.038778|0.040772|0.058760|0.050871|0.103271|0.102413|0.162924|0.111716|0.152447|0.205313|0.143085|0.500000| 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