Version2.4 2021-05-28T12:22:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)N(CCC(=O)N)C(=O)CSc2nc3cc(ccc3c(=O)n2CCO)C(=O)[O-] C13047002 RHF 6-31G(d) (6D,7F) c1ccc(cc1)N(CCC(=O)N)C(=O)CSc2nc3cc(ccc3c(=O)n2CCO)C(=O)[O-] C01[X(C22H21N4O6S1)] 156 C1 541 OCCn1c(SCC(=O)N(c2ccccc2)CCC(=O)N)nc2c(c1=O)ccc(c2)C(=O)[O-] OCCn1c(SCC(=O)N(c2ccccc2)CCC(=O)N)nc2c(c1=O)ccc(c2)C(=O)[O-] NC(=O)CCN(C(=O)CSC1=Nc2cc(ccc2C(=O)N1CCO)C([O-])=O)c3ccccc3 InChIKey=YDZIVZVQEKBFML-UHFFFAOYSA-M InChI=1S/C22H22N4O6S/c23-18(28)8-9-25(15-4-2-1-3-5-15)19(29)13-33-22-24-17-12-14(21(31)32)6-7-16(17)20(30)26(22)10-11-27/h1-7,12,27H,8-11,13H2,(H2,23,28)(H,31,32)/p-1 InChI=1/C22H22N4O6S/c23-18(28)8-9-25(15-4-2-1-3-5-15)19(29)13-33-22-24-17-12-14(21(31)32)6-7-16(17)20(30)26(22)10-11-27/h1-7,12,27H,8-11,13H2,(H2,23,28)(H,31,32)/p-1/fC22H21N4O6S/h23H2/q-1 c1ccc(cc1)N(CCC(=O)N)C(=O)CSc2nc3cc(ccc3c(=O)n2CCO)C(=O)[O-] C01[X(C22H21N4O6S1)] 156 C01 541 OCCn1c(SCC(=O)N(c2ccccc2)CCC(=O)N)nc2c(c1=O)ccc(c2)C(=O)[O-] OCCN1C(=N[C]2[C]([CH][CH][C]([CH]2)[C](=O)=O)C1=O)SCC(=O)N([C]1[CH][CH][CH][CH][CH]1)CCC(=O)N NC(=O)CCN([C]1[CH][CH][CH][CH][CH]1)C(=O)CSC2=N[C]3[CH][C]([CH][CH][C]3C(=O)N2CCO)[C](=O)=O InChIKey=KFCCQTYXZAOQOT-UHFFFAOYSA-N InChI=1S/C22H21N4O6S/c23-18(28)8-9-25(15-4-2-1-3-5-15)19(29)13-33-22-24-17-12-14(21(31)32)6-7-16(17)20(30)26(22)10-11-27/h1-7,12,27H,8-11,13H2,(H2,23,28) InChI=1/C22H21N4O6S/c23-18(28)8-9-25(15-4-2-1-3-5-15)19(29)13-33-22-24-17-12-14(21(31)32)6-7-16(17)20(30)26(22)10-11-27/h1-7,12,27H,8-11,13H2,(H2,23,28)/f/h23H2 3435.4658561873 -1909.9233798 1-A 20296.6400 123 418 541 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.88649 -20.48876 -20.47672 -20.47238 -20.44715 -20.31204 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0.8570 0.8568 0.8560 0.8464 0.8559 0.8143 0.8561 0.8492 0.8571 0.8569 0.7595 0.3424 0.4608 0.6507 0.5944 0.6916 0.7801 0.3616 0.7520 0.6276 0.7702 0.8084 0.7765 0.7724 0.3754 0.8283 0.3373 0.4851 0.8089 0.7805 0.8198 0.8432 0.6220 0.7312 0.3986 0.8496 0.6657 0.6431 0.5791 0.3091 0.3392 0.8570 0.8561 0.8523 0.8521 0.6165 0.8365 0.7545 0.2758 0.7996 0.8096 0.4627 0.8368 0.4749 0.4221 0.3138 0.8090 0.3805 0.6850 0.8448 0.3636 0.5883 0.7643 0.8566 0.4910 0.3115 0.6344 0.8387 0.8528 0.1222 0.1811 0.8547 0.8262 0.4784 0.0662 0.1511 0.8570 0.8550 0.5496 0.4900 0.3270 0.7205 0.8541 0.7071 0.3088 0.8571 0.3085 0.8191 0.7850 0.7357 0.8113 0.8451 0.7704 0.3318 0.3240 0.5658 0.3812 0.5372 0.2971 0.8505 0.6503 0.8570 0.8111 0.3966 0.5559 0.8408 0.2737 0.8540 0.7801 0.8571 0.7928 0.8509 0.7742 0.6752 0.4286 0.5980 0.8521 0.2853 0.4897 0.8560 0.7574 0.8283 0.8434 0.3908 0.3726 0.4740 0.8465 0.6380 0.2307 0.3070 0.7078 0.6604 0.1630 0.2902 0.0079 0.8485 0.8170 0.8560 0.8338 0.8285 0.6256 0.7848 0.6037 0.2008 0.3895 0.3946 0.2831 0.8284 0.4378 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 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 6 6 6 6 6 6 7 6 6 6 8 7 6 8 6 16 6 7 6 6 6 6 6 6 6 8 7 6 6 8 6 8 8 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 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 12.00000 15.99491 15.99491 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 11722.9891 26747.1844 36126.9029 0.99993 -0.01169 0.00359 0.01168 0.99993 0.00308 -0.00362 -0.00304 0.99999 1 0.00739 0.00324 0.00240 0.15395 0.06747 0.04996 11.62 23.31 25.90 30.35 41.90 51.07 65.92 69.34 84.51 88.38 100.70 107.26 133.46 154.69 156.03 167.47 176.11 208.38 241.31 281.65 295.21 315.31 353.35 376.02 415.04 436.29 453.71 460.20 481.57 503.94 513.13 519.70 605.75 631.86 643.33 651.40 668.00 703.19 708.91 724.96 736.92 774.84 808.03 825.85 883.14 888.77 915.17 919.23 950.85 961.66 982.80 998.98 1035.20 1054.50 1058.35 1104.46 1123.87 1125.84 1194.62 1240.38 1242.92 1253.38 1256.60 1275.44 1290.49 1297.12 1372.38 1391.57 1398.66 1405.44 1467.28 1472.79 1483.68 1498.32 1508.38 1525.28 1571.78 1586.59 1608.49 1618.55 1619.48 1628.68 1630.55 1676.60 1679.64 1695.82 1698.09 1708.70 1746.27 1748.76 1754.68 1768.01 1839.11 1858.20 1859.90 1893.49 1901.64 1914.96 1917.58 1962.81 1977.48 1995.42 2006.92 2026.58 2058.09 2077.92 2107.29 2144.20 2160.81 2175.55 2181.72 2186.20 2212.44 2238.81 2257.67 2264.15 2276.94 2286.58 2325.50 2336.59 2360.06 2360.62 2361.54 2395.29 2409.03 2521.08 2567.80 2586.88 2589.33 2599.21 2611.02 2755.92 2765.33 2777.46 2834.41 4628.60 4663.38 4718.46 4723.79 4727.93 4741.51 4752.70 4810.23 4813.15 4826.40 4838.80 4844.10 4861.89 4873.24 4873.58 4892.93 4920.40 4929.58 5516.12 5700.87 5909.58 0.445968 0.475417 0.476361 0.378069 -1909.477412 -1909.447963 -1909.447019 -1909.545311 3.296730D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE c1ccc(cc1)N(CCC(=O)N)C(=O)CSc2nc3cc(ccc3c(=O)n2CCO)C(=O)[O-] C13047002 RHF 6-31G(d) (6D,10F) C1 469.118181 |X|Y|Z| 76.167452 116.969792 28.512195 63.332204 20 6 7 16 16 3 1 |36.858105| |13.742989|36.858105| |7.932287|13.761365|36.858105| |6.857889|7.929668|13.723879|36.858105| |7.936292|6.882793|7.943335|13.737293|36.858105| |13.759336|7.948322|6.877617|7.925553|13.745875|36.858105| |4.525875|5.136314|7.810642|13.307502|7.779931|5.125068|53.358707| |3.741844|4.222425|5.868717|7.648757|5.572383|4.103516|17.745993|36.858105| |3.263777|3.426203|4.289574|5.597873|4.981631|3.744447|10.457549|12.468456|36.858105| |2.730605|2.876445|3.442207|4.054607|3.686367|3.010568|6.787388|7.559284|12.566218|36.858105| |2.695554|2.895071|3.432362|3.823268|3.407686|2.876384|6.089437|6.723509|7.978386|15.873609|73.516695| |2.349788|2.423770|2.811698|3.275295|3.107204|2.602678|5.331281|5.151065|7.840861|14.030135|15.130724|53.358707| |3.755885|4.132414|5.633505|7.752045|5.860984|4.221031|19.026049|7.867575|6.002139|4.206887|6.585197|4.853998|36.858105| |3.049944|3.321011|4.285722|5.357399|4.392631|3.370465|11.571980|7.076059|5.965338|4.390716|6.717297|5.236316|15.836072|73.516695| |3.961516|4.229979|5.348227|6.773859|5.778328|4.438968|10.619132|5.020937|4.209936|3.197343|5.150321|3.844742|12.560633|14.172011|36.858105| |2.921047|3.074920|3.616888|4.135375|3.767124|3.169110|6.471788|3.700365|3.311668|2.686902|4.341960|3.378330|6.957404|11.752386|10.519899|388.023441| |2.920696|2.973289|3.274033|3.590044|3.483088|3.131988|5.037478|2.939924|2.683850|2.233088|3.669994|2.831298|4.646625|7.455529|7.040346|75.787102|36.858105| |3.427173|3.406859|3.639276|3.956065|3.967264|3.678686|5.187125|2.962855|2.687354|2.222187|3.676908|2.787993|4.507850|6.833365|7.024756|51.471091|15.106310|53.358707| |3.145758|3.043098|3.088158|3.245538|3.355965|3.304913|4.150244|2.474304|2.284768|1.936396|3.235983|2.453632|3.415807|5.341590|4.685452|34.343793|8.309819|18.656453|36.858105| |3.519806|3.273785|3.157798|3.246691|3.471267|3.635408|3.962253|2.381599|2.203027|1.877635|3.164666|2.367756|3.100787|4.789032|4.053750|26.970876|5.367184|10.804657|13.668549|36.858105| |2.995686|2.773276|2.629542|2.664040|2.849626|3.041049|3.283743|2.038434|1.910585|1.661000|2.817532|2.114265|2.533008|4.012268|3.136246|21.522370|4.055325|7.073340|7.916326|13.820404|36.858105| |2.473830|2.341892|2.268045|2.307399|2.425801|2.520808|2.929112|1.847447|1.745087|1.533025|2.598038|1.970981|2.294355|3.720479|2.799882|20.334575|3.874018|6.231646|6.874324|7.933304|13.554444|36.858105| |2.331630|2.251043|2.238899|2.303433|2.382379|2.400623|2.997019|1.886648|1.782153|1.562397|2.633830|2.016991|2.407695|3.952669|2.975568|22.898452|4.613895|7.021168|7.890816|6.848316|7.887189|13.889515|36.858105| |2.559460|2.500218|2.545010|2.656988|2.718375|2.668277|3.496251|2.154107|2.016986|1.742081|2.916207|2.237714|2.888923|4.703775|3.740068|29.994191|6.979835|10.719591|13.696853|7.900101|6.832907|7.943004|13.597159|36.858105| |2.293631|2.285232|2.388443|2.517290|2.519898|2.402815|3.438608|2.142655|2.014481|1.747838|2.911907|2.263194|2.925259|4.917204|3.730568|33.570127|7.884129|9.219285|7.765138|5.099639|4.489850|5.096097|7.654149|13.091245|36.858105| |2.003942|1.999024|2.080749|2.179103|2.178993|2.088129|2.997917|1.911836|1.815049|1.598994|2.672213|2.089603|2.519953|4.327931|3.068607|27.304358|5.436103|6.457753|5.318972|3.994542|3.774605|4.481160|6.604891|8.055345|15.803211|73.516695| |2.429340|2.462211|2.655474|2.848971|2.788250|2.570291|4.013294|2.460650|2.292244|1.961734|3.241666|2.529804|3.575070|6.061989|4.730313|49.910083|13.755387|11.066791|6.965602|4.614789|3.815309|3.957968|5.124405|7.885071|13.595604|15.041438|53.358707| |2.113421|2.163349|2.358458|2.531194|2.444818|2.231711|3.681099|2.331517|2.197703|1.911399|3.152114|2.497961|3.300691|5.917683|4.027145|44.528606|7.561507|7.025614|4.532717|3.404204|2.963502|3.109155|3.874867|5.083033|7.843184|12.826797|17.653016|36.858105| |1.949408|2.027762|2.200045|2.294473|2.176931|2.011543|3.324559|2.146808|1.996633|1.768504|2.957839|2.304673|2.912136|5.260291|3.420219|34.797782|5.447792|5.641816|3.790304|2.985308|2.670206|2.826056|3.461721|4.260376|6.025583|10.933495|10.392387|12.506696|36.858105| |2.063830|2.195457|2.415101|2.478953|2.287941|2.100606|3.624136|2.332695|2.115950|1.872284|3.154174|2.409255|3.196381|5.776264|3.727924|37.750310|5.372898|5.674477|3.661910|2.944500|2.591456|2.659697|3.139107|3.848861|4.892160|8.200523|8.585509|7.800527|13.598322|73.516695| |3.053086|2.750183|2.515153|2.505230|2.720190|3.030436|3.028758|1.911844|1.800425|1.581650|2.705251|2.010970|2.265879|3.591863|2.699065|17.921780|3.131836|5.243866|4.967401|7.481701|12.254206|7.412601|4.964037|4.386846|3.285932|5.147098|3.984648|2.394418|2.200991|3.851497|36.858105| |3.676112|3.191979|2.824981|2.788446|3.085737|3.590847|3.274968|2.056143|1.927284|1.684861|2.890528|2.124405|2.397544|3.746178|2.835800|18.054175|3.056624|5.183023|4.579273|6.885556|8.102989|5.252609|3.997513|3.820656|2.973254|4.624231|3.760761|2.278047|2.091589|3.718355|15.494962|73.516695| |2.577011|2.353827|2.169389|2.156868|2.319191|2.552641|2.650027|1.702256|1.615221|1.436583|2.464264|1.839888|1.984278|3.195285|2.316220|15.732902|2.704432|4.336610|4.006981|5.293765|8.113019|6.856676|4.590878|3.827256|2.972510|4.822915|3.553338|2.188524|2.038630|3.537523|15.503629|15.156809|73.516695| |17.732108|8.906428|5.643611|4.945718|5.647073|8.922802|4.908131|3.100336|2.778425|2.394686|4.232174|2.856385|3.115013|4.640096|3.316682|18.322386|2.643825|4.222052|2.963894|3.415240|3.010046|2.468869|2.280896|2.446385|2.168393|3.397568|3.061906|1.959963|1.821068|3.403265|3.201378|7.054415|4.821536|0.500000| |8.912218|17.721559|8.931853|5.645140|4.957449|5.649965|5.674157|3.609759|2.961276|2.576113|4.689756|2.987467|3.508000|5.197377|3.599533|19.677341|2.710354|4.179133|2.811075|3.036433|2.636900|2.246173|2.148783|2.353226|2.153227|3.380474|3.121966|2.030035|1.936645|3.749539|2.651371|5.442078|4.083564|0.214657|0.500000| |5.637540|8.895259|17.713058|8.934904|5.653712|4.954178|9.810359|5.913333|4.113444|3.414960|6.192328|3.779828|5.496246|7.758364|5.005615|25.399780|3.149764|4.612683|2.875662|2.876784|2.427167|2.133913|2.130445|2.421214|2.313728|3.612441|3.527986|2.342239|2.227872|4.434395|2.304944|4.515540|3.581406|0.123973|0.214719|0.500000| |5.642631|4.956879|5.651310|8.931801|17.714343|8.902273|9.738313|5.401042|5.404091|3.873670|6.109730|4.559667|5.879381|8.117154|5.670648|27.291324|3.500154|5.301620|3.288240|3.329908|2.755876|2.381956|2.363277|2.703272|2.537444|3.914973|3.840974|2.497680|2.184995|4.019482|2.603497|5.153666|3.982587|0.124119|0.107597|0.124399|0.500000| |8.920724|5.650514|4.955579|5.643818|8.922961|17.730289|5.660708|3.478988|3.344119|2.752000|4.643726|3.325907|3.606741|5.306531|3.836405|20.576453|2.935125|4.693329|3.208490|3.605473|3.090445|2.551739|2.397643|2.620323|2.338126|3.635633|3.343724|2.134489|1.912689|3.495869|3.152672|6.720961|4.729572|0.215171|0.124190|0.107566|0.214862|0.500000| |3.212634|3.674473|4.961757|5.797477|4.368720|3.410854|12.491410|17.642535|8.865302|6.905463|11.385891|6.772257|7.410618|13.817034|4.729564|26.566800|2.886725|3.857828|2.366729|2.245019|1.933455|1.774426|1.829519|2.091841|2.114698|3.378070|3.334394|2.368377|2.212740|4.335193|1.801388|3.405459|2.871196|0.075763|0.090684|0.149921|0.118128|0.081922|0.500000| |4.016448|4.673646|6.487680|7.507420|5.454102|4.233156|12.526265|17.662786|8.865912|6.923835|12.833566|6.353105|5.816501|9.151643|4.244152|22.655319|2.650501|3.704241|2.323465|2.281934|1.972434|1.778066|1.795015|2.023378|1.988334|3.167769|3.052661|2.112248|1.969840|3.807531|1.879445|3.626412|2.980300|0.092169|0.111626|0.184133|0.138400|0.098341|0.302779|0.500000| |3.581204|3.609026|4.369558|5.880811|5.796325|4.288869|9.467906|8.837878|17.522093|9.027762|11.788871|8.978660|5.300561|8.732239|4.035487|22.178128|2.627186|3.661712|2.314131|2.269228|1.970876|1.783769|1.802881|2.027251|1.994983|3.188005|3.048237|2.115893|1.909351|3.558721|1.875986|3.604172|2.982334|0.084261|0.085127|0.110683|0.183463|0.107570|0.173739|0.213204|0.500000| |2.989975|3.096918|3.817688|4.984472|4.581040|3.461655|9.570255|8.867189|17.590633|8.844379|10.516008|10.154739|6.518880|12.664928|4.496592|26.039830|2.878422|3.838709|2.371997|2.246172|1.941916|1.788731|1.847154|2.108180|2.134837|3.419957|3.349978|2.387307|2.137902|3.995381|1.806571|3.402623|2.884917|0.071455|0.074877|0.102044|0.144401|0.087566|0.211928|0.174154|0.302374|0.500000| |2.289045|2.339585|2.709755|3.204138|3.083986|2.565583|5.280851|4.822461|7.346252|9.267539|10.863018|26.105431|3.689737|7.258991|2.932819|18.652832|2.178559|2.892228|1.862561|1.781929|1.588195|1.486833|1.530507|1.704927|1.736358|2.852010|2.655872|1.939388|1.771834|3.267667|1.499872|2.802216|2.439706|0.056840|0.058659|0.073876|0.094498|0.067450|0.130281|0.116490|0.173608|0.230675|0.500000| |2.134488|2.207699|2.522595|2.851870|2.705423|2.324778|4.522480|4.260095|5.708927|9.440868|13.787018|26.045087|3.057249|5.856655|2.484612|15.822681|1.888404|2.528253|1.651402|1.597700|1.438724|1.347548|1.377571|1.517849|1.537180|2.540524|2.322799|1.694723|1.579152|2.934769|1.374424|2.574659|2.248348|0.053565|0.056316|0.069938|0.079712|0.060968|0.117954|0.111716|0.139477|0.150493|0.311015|0.500000| |4.258724|4.243923|5.067237|6.753220|6.764447|5.109120|9.367064|4.592233|4.117388|3.107686|4.961195|3.784650|8.881879|11.076666|17.668321|56.660498|6.821647|10.356030|5.117742|4.529903|3.428270|2.997648|3.141688|3.941068|3.787414|5.494528|6.287065|3.816528|3.158377|5.860445|2.944245|5.551201|4.432722|0.098857|0.098309|0.123882|0.196286|0.125308|0.114922|0.110197|0.115347|0.122308|0.080686|0.067682|0.500000| |4.440745|4.975837|6.334148|7.113808|5.733990|4.676255|9.627978|4.662876|3.756267|2.948119|4.895549|3.507717|8.848425|10.817983|17.666767|56.464536|6.621453|9.931166|4.947334|4.400626|3.347522|2.930341|3.067419|3.832357|3.695408|5.379892|6.157717|3.756491|3.334322|6.640781|2.888704|5.454096|4.358811|0.102366|0.117932|0.166108|0.142938|0.109061|0.122595|0.115823|0.101077|0.106383|0.072915|0.063854|0.306768|0.500000| |4.370059|3.931715|3.686335|3.770663|4.132456|4.500038|4.402305|2.602729|2.385374|2.013065|3.400590|2.510226|3.347812|5.036073|4.370629|26.735924|4.907257|9.876773|8.886874|17.771962|8.984576|5.648367|4.943436|5.630044|4.145712|5.942968|5.469931|3.079077|2.722400|4.886836|7.004621|13.890161|8.635988|0.117295|0.099285|0.090566|0.106976|0.123097|0.067091|0.069866|0.069001|0.066729|0.052172|0.046861|0.138896|0.135319|0.500000| |2.249233|2.125626|2.043472|2.065833|2.172890|2.275711|2.626104|1.681132|1.597252|1.417752|2.412530|1.830316|2.035408|3.329728|2.422126|17.528416|3.188055|4.955325|4.956929|5.675195|8.959067|17.762726|8.910172|5.630867|4.121067|6.841079|4.477239|2.703904|2.507688|4.197922|7.010524|8.635743|13.960306|0.063151|0.057172|0.053629|0.059327|0.064476|0.044929|0.045212|0.045413|0.045326|0.038276|0.034927|0.071567|0.070156|0.124919|0.500000| |2.062336|2.005060|2.004581|2.060178|2.116361|2.119724|2.715935|1.735386|1.649529|1.460459|2.464885|1.898421|2.183609|3.645447|2.635613|20.732076|3.993556|5.696622|5.637718|4.940606|5.606271|8.907071|17.733209|8.916536|7.083992|13.009378|6.371699|3.784432|3.468387|5.437672|4.046552|5.916084|7.036850|0.056146|0.053499|0.053486|0.058639|0.058857|0.047080|0.045865|0.046154|0.047616|0.040071|0.036179|0.076283|0.074679|0.107386|0.212180|0.500000| |2.157095|2.220405|2.468043|2.696760|2.577964|2.301537|4.042992|2.563319|2.426109|2.094800|3.420584|2.745203|3.745473|6.945576|4.474840|54.755705|7.280299|6.703537|4.079854|3.159397|2.718162|2.771923|3.316339|4.252290|5.761854|9.245793|12.420351|17.669563|8.894638|12.669910|2.243669|3.862637|3.629528|0.054986|0.057402|0.068321|0.073934|0.060764|0.072964|0.063460|0.064115|0.074432|0.059693|0.051458|0.115173|0.110971|0.081778|0.067500|0.088697|0.500000| |1.955943|1.975846|2.127795|2.289295|2.252132|2.076199|3.301526|2.122638|2.038603|1.789459|2.947482|2.364680|2.894045|5.205741|3.436744|34.701025|5.855216|6.007165|4.125950|3.182216|2.854933|3.069591|3.866842|4.840209|7.493755|14.276865|12.546757|17.645274|8.911536|10.112187|2.319362|3.883938|3.819464|0.050819|0.051581|0.058285|0.064543|0.055917|0.059527|0.053700|0.054949|0.061583|0.051178|0.044728|0.093565|0.088801|0.079328|0.075117|0.108618|0.302560|0.500000| |1.781970|1.852081|2.011857|2.103775|1.997925|1.842715|3.078861|2.028641|1.908223|1.710584|2.859721|2.251132|2.677383|4.949966|3.025077|29.863459|4.328975|4.659408|3.153494|2.569961|2.335059|2.469540|2.960582|3.497683|4.684181|8.877977|7.614296|8.954616|17.581037|16.977278|1.965814|3.335225|3.268568|0.046338|0.049232|0.056798|0.056062|0.048851|0.058510|0.051679|0.050461|0.056998|0.048225|0.043062|0.077944|0.080901|0.065939|0.061956|0.083619|0.215031|0.218583|0.500000| |1.883038|1.946442|2.075695|2.139874|2.051057|1.928015|3.037192|1.966352|1.832213|1.631897|2.745761|2.126228|2.597639|4.610036|3.058020|29.019873|4.883849|5.373896|3.840088|3.043380|2.790822|3.042024|3.816854|4.562476|6.567574|13.204650|9.476173|8.875921|17.591376|16.448870|2.282990|3.797378|3.797846|0.049370|0.052030|0.058132|0.056886|0.051253|0.055841|0.050700|0.049115|0.053979|0.045196|0.040616|0.080034|0.084566|0.075678|0.075328|0.109514|0.174382|0.214071|0.301889|0.500000| 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