Version2.1 2021-01-14T14:59:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COCCNC(=O)[C@H]1[C@H](SC2=C1CCCC2)NC(=O)CSc3[nH]nc(n3)Cc4cccs4 C39934486 RHF 6-31G(d) (6D,7F) COCCNC(=O)[C@H]1[C@H](SC2=C1CCCC2)NC(=O)CSc3[nH]nc(n3)Cc4cccs4 C01[X(C21H27N5O3S3)] 171 C1 546 COCCNC(=O)[C@H]1[C@@H](NC(=O)CSc2[nH]nc(n2)Cc2cccs2)SC2=C1CCCC2 COCCNC(=O)[C@H]1[C@@H](NC(=O)CSc2[nH]nc(n2)Cc2cccs2)SC2=C1CCCC2 COCCNC(=O)[C@H]1[C@@H](NC(=O)CSc2[nH]nc(Cc3sccc3)n2)SC4=C1CCCC4 InChIKey=YSYNLKWHAAJHCO-ICSRJNTNSA-N InChI=1S/C21H27N5O3S3/c1-29-9-8-22-19(28)18-14-6-2-3-7-15(14)32-20(18)24-17(27)12-31-21-23-16(25-26-21)11-13-5-4-10-30-13/h4-5,10,18,20H,2-3,6-9,11-12H2,1H3,(H,22,28)(H,24,27)(H,23,25,26)/t18-,20-/m0/s1 InChI=1/C21H27N5O3S3/c1-29-9-8-22-19(28)18-14-6-2-3-7-15(14)32-20(18)24-17(27)12-31-21-23-16(25-26-21)11-13-5-4-10-30-13/h4-5,10,18,20H,2-3,6-9,11-12H2,1H3,(H,22,28)(H,24,27)(H,23,25,26)/t18-,20-/m0/s1/f/h22,24,26H COCCNC(=O)[C@H]1[C@H](SC2=C1CCCC2)NC(=O)CSc3[nH]nc(n3)Cc4cccs4 C01[X(C21H27N5O3S3)] 171 C01 546 COCCNC(=O)[C@H]1[C@@H](NC(=O)CSc2[nH]nc(n2)Cc2cccs2)SC2=C1CCCC2 COCCNC(=O)[C@H]1[C@@H](NC(=O)CS[C]2[NH][N][C]([N]2)CC2=[CH][CH]=CS2)SC2=C1CCCC2 COCCNC(=O)[C@H]1[C@@H](NC(=O)CS[C]2[N][C](Cc3sccc3)[N]N2)SC4=C1CCCC4 InChIKey=YSYNLKWHAAJHCO-ICSRJNTNSA-N InChI=1S/C21H27N5O3S3/c1-29-9-8-22-19(28)18-14-6-2-3-7-15(14)32-20(18)24-17(27)12-31-21-23-16(25-26-21)11-13-5-4-10-30-13/h4-5,10,18,20H,2-3,6-9,11-12H2,1H3,(H,22,28)(H,24,27)(H,23,25,26)/t18-,20-/m0/s1 InChI=1/C21H27N5O3S3/c1-29-9-8-22-19(28)18-14-6-2-3-7-15(14)32-20(18)24-17(27)12-31-21-23-16(25-26-21)11-13-5-4-10-30-13/h4-5,10,18,20H,2-3,6-9,11-12H2,1H3,(H,22,28)(H,24,27)(H,23,25,26)/t18-,20-/m0/s1/f/h22,24,26H 3786.9650612920 -2500.3168327 1-A 21881.5767 130 416 546 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38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 6 8 6 6 7 6 8 6 1 6 1 16 6 6 6 6 6 6 7 6 8 6 16 6 7 1 7 6 7 6 6 6 6 6 16 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 15.99491 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 1.00783 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 1.00783 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 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 9211.6281 32554.7607 38231.8272 0.99999 0.00383 0.00111 -0.00384 0.99995 0.00896 -0.00107 -0.00896 0.99996 1 0.00940 0.00266 0.00227 0.19592 0.05544 0.04721 10.43 19.82 24.16 26.57 38.35 44.24 52.27 56.89 67.71 78.81 85.27 95.86 115.94 131.10 158.20 159.30 196.65 209.97 230.14 263.97 269.61 290.36 338.23 352.12 370.96 390.66 405.01 421.86 446.43 459.14 480.57 491.08 526.39 550.52 575.98 613.49 635.94 663.95 701.88 724.09 739.03 770.96 789.47 800.95 841.58 859.60 863.62 883.41 893.04 925.38 955.17 1000.41 1013.39 1058.86 1089.37 1117.70 1141.88 1158.66 1161.02 1165.98 1230.75 1265.05 1269.86 1284.54 1306.23 1310.97 1330.99 1344.51 1384.05 1400.39 1414.15 1438.54 1448.24 1467.74 1476.32 1485.25 1506.64 1546.31 1601.53 1602.68 1621.85 1622.90 1634.49 1654.48 1670.53 1710.45 1729.71 1740.93 1764.01 1772.22 1777.60 1780.64 1798.85 1803.88 1842.40 1847.11 1867.91 1871.34 1893.21 1900.86 1925.09 1939.07 1957.53 1973.84 1995.59 1996.54 2010.09 2025.90 2033.38 2060.60 2067.76 2105.45 2112.48 2160.36 2166.07 2178.24 2183.54 2192.59 2195.53 2204.53 2205.43 2223.57 2269.09 2293.18 2315.08 2325.80 2336.34 2338.48 2350.05 2356.19 2357.80 2366.29 2369.53 2378.43 2381.34 2413.35 2422.79 2458.40 2483.59 2543.36 2547.60 2717.51 2766.84 2813.96 4570.32 4577.16 4598.02 4598.27 4600.84 4610.67 4618.13 4625.10 4629.36 4655.34 4658.17 4668.39 4672.65 4679.03 4687.25 4696.08 4725.21 4761.48 4786.29 4799.29 4830.84 4872.16 4894.29 4949.62 5548.12 5601.42 5642.03 0.512227 0.542695 0.543640 0.441830 -2499.804605 -2499.774137 -2499.773193 -2499.875002 3.414691D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE COCCNC(=O)[C@H]1[C@H](SC2=C1CCCC2)NC(=O)CSc3[nH]nc(n3)Cc4cccs4 C39934486 RHF 6-31G(d) (6D,10F) C1 493.127605 |X|Y|Z| 128.823575 64.274036 33.983832 65.529133 24 6 7 16 17 4 3 |36.858105| |13.628771|73.516695| |8.126247|24.283138|36.858105| |5.217664|14.357631|12.553342|36.858105| |4.610378|11.921316|7.715818|13.140519|53.358707| |3.868663|8.879832|5.832866|7.781796|19.264035|36.858105| |3.572578|7.804248|5.513655|6.845911|11.563991|15.793146|73.516695| |3.289542|7.096005|4.181930|4.999509|10.641800|12.450646|14.156841|36.858105| |3.456044|7.512301|4.137454|4.851228|10.419115|8.882099|10.457771|17.531828|0.500000| |3.070093|6.197239|3.617187|3.907459|7.110407|7.428073|11.475207|12.254245|0.245691|36.858105| |2.938989|5.802649|3.242585|3.424691|6.084514|5.621491|8.559928|8.844527|0.233400|17.716531|0.500000| |2.419575|4.784889|2.865255|3.135453|5.264135|5.223163|9.395272|6.958206|0.148002|10.366638|0.221260|388.023441| |2.348839|4.788355|2.873557|3.345547|5.789718|5.659426|9.523641|7.937007|0.166174|7.383994|0.169864|76.555259|36.858105| |2.656260|5.603117|3.342205|4.080484|7.682714|7.640833|11.085160|12.570189|0.246081|7.709930|0.176592|51.659090|14.413237|36.858105| |2.489191|5.303885|3.134022|3.967228|7.135054|5.904167|8.705704|7.225791|0.184836|4.883595|0.122679|33.226967|7.647125|12.630866|36.858105| |2.074360|4.278271|2.515832|3.043396|5.035641|4.102959|6.601856|4.845401|0.125959|3.875896|0.100939|29.542048|6.738506|7.589041|12.435222|36.858105| |1.943496|3.947975|2.370203|2.811885|4.509338|3.841739|6.633216|4.384742|0.107423|3.802045|0.096362|32.623500|7.620033|6.697361|7.547926|12.456910|36.858105| |1.997443|4.011033|2.402754|2.774123|4.522803|4.062993|7.126657|4.952918|0.116268|4.707848|0.117863|47.768721|12.662071|7.598596|6.331685|7.546977|12.433939|36.858105| |3.485504|6.816999|4.045222|4.045270|6.858953|6.825837|11.829898|7.576112|0.173837|13.279335|0.261356|49.754371|5.009768|5.163668|3.761501|3.076905|3.070988|3.638704|53.358707| |3.614985|6.649384|3.731084|3.507625|5.644095|4.921764|8.360296|5.352049|0.140552|7.777859|0.213095|35.790199|3.820816|3.935345|3.085719|2.601492|2.563488|2.970517|19.191776|36.858105| |3.322774|6.036268|3.245392|3.092030|4.999118|4.167246|6.812438|4.838247|0.136425|6.761522|0.224775|32.416853|3.577855|3.688503|2.954375|2.529269|2.452337|2.834685|11.495882|15.890443|73.516695| |3.833966|6.628467|3.791965|3.341673|4.965928|4.119536|7.458726|4.022725|0.105723|5.050391|0.132927|27.502192|3.077384|3.148691|2.591772|2.225448|2.219117|2.509512|10.803518|12.545072|14.197881|36.858105| |3.755417|6.034387|3.231055|2.796568|4.054934|3.147954|5.498890|3.139041|0.087173|3.694456|0.104555|20.977444|2.473204|2.550943|2.189887|1.914722|1.881489|2.085959|6.555720|6.991453|11.816449|10.490348|388.023441| |3.875076|5.913254|3.243708|2.702881|3.711666|2.813826|5.066537|2.668710|0.073225|2.983681|0.081437|17.762621|2.156702|2.226563|1.957974|1.723990|1.705394|1.857422|5.147004|4.697794|7.532018|7.048886|77.118489|36.858105| |3.355965|5.073090|2.749972|2.324847|3.161916|2.363271|4.235764|2.262867|0.062661|2.487502|0.068737|15.218773|1.879565|1.933704|1.730166|1.543619|1.525557|1.647961|4.093421|3.607201|6.079453|4.785350|50.024734|14.323022|53.358707| |3.022265|4.621653|2.473725|2.130399|2.927470|2.185530|3.879606|2.130410|0.059480|2.346672|0.065850|14.453886|1.789542|1.835654|1.649097|1.481317|1.460563|1.578206|3.781669|3.347108|5.851776|4.209716|45.432543|9.046665|26.092427|0.500000| |3.239698|4.866917|2.690375|2.256104|2.991077|2.215581|4.024009|2.080492|0.057234|2.240511|0.061031|13.961587|1.749894|1.801107|1.630036|1.459818|1.448000|1.549475|3.637687|3.058356|5.069990|3.950714|34.978134|8.690448|19.218024|0.258805|53.358707| |3.636659|5.467152|3.114710|2.553284|3.331351|2.475363|4.570707|2.267939|0.061646|2.430895|0.064947|15.075701|1.886785|1.948038|1.754380|1.558550|1.551461|1.659537|4.026641|3.321184|5.300465|4.446421|35.484208|9.140979|12.570949|0.175866|20.082223|36.858105| |4.151116|6.324153|3.628254|2.937891|3.903240|2.950022|5.458060|2.689403|0.072586|2.940463|0.077875|17.716536|2.174296|2.251585|1.988652|1.743917|1.735001|1.875945|5.103136|4.337486|6.633672|6.459217|49.174370|14.652397|12.040588|0.169572|11.624843|13.998836|53.358707| |3.356036|5.140273|3.022999|2.486161|3.152453|2.323111|4.355790|2.090993|0.056446|2.192713|0.057917|13.898981|1.770695|1.827643|1.667919|1.489535|1.489623|1.576073|3.550995|2.797524|4.457675|3.545414|25.992176|5.393276|7.363294|0.119806|10.577318|12.700878|10.319037|36.858105| |3.930737|5.875562|3.485686|2.768787|3.388747|2.428880|4.528103|2.137273|0.058026|2.177312|0.057199|13.653920|1.778558|1.864070|1.723467|1.527161|1.514308|1.581413|3.477267|2.679504|4.273172|3.269474|23.376044|4.464314|5.866340|0.099494|7.458722|7.565295|8.157409|12.638400|36.858105| 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|4.104093|5.843058|3.262141|2.596870|3.178701|2.218656|4.017480|1.979568|0.054855|1.986501|0.053025|12.361512|1.636712|1.732277|1.626320|1.443466|1.412871|1.461944|3.095760|2.405549|3.951823|2.822011|21.206262|3.862369|5.368456|0.095287|6.610291|5.563610|6.233057|6.718879|10.960012|7.474313|7.465758|11.027437|388.023441| |17.529111|16.453844|7.199441|4.721659|5.387428|3.368258|5.709864|2.854369|0.081900|2.671095|0.070716|15.516699|2.130960|2.381200|2.263976|1.916030|1.809176|1.843869|4.089274|3.078694|5.033511|3.327388|23.317871|3.557346|4.332010|0.079399|4.358824|3.623706|5.350598|3.507989|4.360476|4.539436|5.190010|5.525098|34.083313|0.500000| |17.527333|16.439581|7.235598|4.758052|5.983904|3.931937|6.615329|3.371483|0.096518|3.285049|0.087054|18.229700|2.412660|2.684436|2.448446|2.050610|1.947879|2.036328|5.329436|4.209234|6.698498|4.738392|33.184962|4.951532|5.548925|0.099029|5.261402|4.462245|7.346104|3.926954|4.493593|4.410755|4.349595|4.389026|31.654889|0.300180|0.500000| |17.621351|16.872876|5.860914|4.365146|5.581697|3.467341|5.581208|3.097448|0.092969|2.903916|0.079321|16.283511|2.232698|2.524653|2.387975|2.005628|1.860716|1.909932|4.379144|3.413524|5.811709|3.525113|25.914383|3.642196|4.422551|0.083405|4.190254|3.313321|5.041886|3.007807|3.420959|3.369622|3.566876|3.808955|26.464127|0.299515|0.299579|0.500000| |7.314487|16.526021|17.512631|8.864192|9.469599|6.172628|11.164535|4.383539|0.116121|4.000096|0.097553|22.255020|3.011058|3.421323|3.072795|2.486273|2.392424|2.485014|6.518142|4.390597|6.474874|4.654796|26.563003|3.781546|4.206277|0.075845|4.091623|3.580439|5.942886|3.422819|3.868208|4.346464|4.222297|3.720577|24.344167|0.176544|0.218571|0.147994|0.500000| |7.211380|16.517065|17.483992|8.879939|7.629603|4.533823|8.029482|3.418412|0.093477|3.029046|0.076272|17.861859|2.525454|2.871857|2.751540|2.272071|2.162219|2.169539|4.572327|3.149518|4.938069|3.292651|20.560849|3.023000|3.574392|0.065512|3.596772|3.078262|4.696561|3.109478|3.741979|4.419549|4.910451|4.281111|25.102824|0.213661|0.174415|0.146615|0.301000|0.500000| |4.264061|10.275426|8.889680|17.642871|12.580802|7.357778|13.641195|4.669226|0.119009|3.741762|0.089325|22.535236|3.401543|4.036459|3.922150|3.071133|2.925467|2.865309|5.277856|3.287957|5.092242|3.179530|18.593976|2.563882|3.012086|0.056203|2.955353|2.475840|3.848649|2.456364|2.722887|3.107891|3.179132|2.806456|17.726354|0.112007|0.112646|0.100035|0.213446|0.214782|0.500000| |4.842933|13.009834|8.918333|17.588331|12.585660|5.826957|9.052246|4.260017|0.119874|3.345164|0.084016|19.615613|3.011767|3.670620|3.791018|2.955723|2.672668|2.569915|4.578141|3.001660|4.856345|2.856969|17.693470|2.415970|2.890220|0.054593|2.819533|2.309118|3.530892|2.265791|2.541285|2.822598|3.010857|2.789087|17.461852|0.125837|0.116814|0.117509|0.174136|0.214240|0.301366|0.500000| |4.745515|12.335767|6.638146|9.097906|26.084218|9.430666|10.907706|7.465277|0.244576|5.030956|0.127110|25.835312|4.001056|5.354793|5.139338|3.640597|3.150590|3.154352|6.414211|4.079660|6.710422|3.512506|21.222551|2.680668|3.135757|0.059838|2.937121|2.365501|3.749911|2.212636|2.371827|2.509924|2.538547|2.414215|16.187024|0.110178|0.122461|0.123041|0.162297|0.137959|0.180659|0.224412|0.500000| |2.580437|5.595947|3.408581|4.546419|7.932936|6.278451|9.511837|6.368558|0.159515|4.352565|0.106673|29.387691|6.122697|8.916503|17.493455|8.811782|6.558631|5.297105|4.863634|2.931994|4.889967|2.535628|15.187196|1.948191|2.343507|0.045315|2.230135|1.777525|2.732086|1.709046|1.784879|1.906870|1.903349|1.779704|11.948331|0.065859|0.069816|0.067827|0.091297|0.083727|0.128851|0.121903|0.149993|0.500000| |2.581851|5.534925|3.153645|3.957365|7.216195|5.440016|7.681228|6.750540|0.202161|4.569533|0.120912|28.863460|5.825336|8.910247|17.508352|8.819237|5.513111|4.881825|4.867159|3.034846|5.287394|2.539872|15.615374|1.952041|2.358158|0.046071|2.213293|1.738792|2.675741|1.644916|1.706974|1.788935|1.786693|1.703534|11.608734|0.064719|0.069628|0.069923|0.084225|0.076504|0.103961|0.108271|0.156711|0.304287|0.500000| |1.975293|4.070607|2.390606|2.902137|4.635653|3.603886|5.863305|3.996472|0.106821|3.234851|0.084904|24.047345|4.926345|5.543054|8.831803|17.547151|8.810782|5.492671|3.643025|2.307764|3.992908|2.015332|12.507971|1.604550|1.970317|0.038620|1.875898|1.469450|2.217455|1.414921|1.459692|1.538296|1.534651|1.454151|9.875026|0.051168|0.053706|0.053177|0.064695|0.060811|0.081653|0.080299|0.093473|0.219872|0.206693|0.500000| |1.987403|4.045796|2.330909|2.745276|4.540934|3.663193|5.839123|4.520299|0.122630|3.785382|0.102919|28.760641|6.192552|6.626755|8.852669|17.517857|8.864238|6.934317|4.045543|2.565232|4.535852|2.172052|13.476491|1.688060|2.066108|0.040719|1.942255|1.511291|2.298517|1.434666|1.462696|1.522118|1.502369|1.432639|9.885304|0.050805|0.054724|0.053991|0.064196|0.058452|0.075574|0.074266|0.093787|0.174178|0.220418|0.303116|0.500000| |1.986341|4.058730|2.488813|2.997860|4.700849|4.011489|7.189170|4.257492|0.102325|3.640822|0.089905|30.656128|6.640739|6.154487|6.934718|8.863218|17.525775|8.857153|4.142989|2.520378|4.208592|2.222424|13.291266|1.718059|2.088393|0.040581|1.997121|1.583670|2.406951|1.534019|1.567672|1.667109|1.632740|1.518831|10.341261|0.051719|0.055205|0.052289|0.069719|0.063514|0.089056|0.078856|0.088740|0.195285|0.139920|0.211255|0.173861|0.500000| |1.751107|3.510974|2.091865|2.436138|3.804781|3.151757|5.492489|3.532617|0.089251|3.184639|0.082763|27.235467|5.560477|4.905893|5.492102|8.806889|17.547705|8.838657|3.601720|2.265897|3.893969|1.988304|12.184467|1.562112|1.919290|0.037662|1.826876|1.430094|2.157359|1.377540|1.396765|1.466291|1.436253|1.352472|9.303490|0.045599|0.048711|0.046826|0.058526|0.053657|0.070258|0.065097|0.074679|0.137583|0.123327|0.214175|0.211287|0.303049|0.500000| |1.872778|3.713748|2.184185|2.472219|4.002745|3.491000|6.013252|4.340645|0.107079|4.321134|0.114690|42.901866|8.968577|6.105939|5.293413|6.542131|8.783089|17.510790|4.563324|2.830267|4.932943|2.379520|14.345986|1.781226|2.166289|0.042652|2.027061|1.580196|2.420649|1.492942|1.489944|1.542693|1.487315|1.406304|9.858214|0.047994|0.053086|0.050268|0.062626|0.054970|0.069814|0.064269|0.079443|0.120976|0.122908|0.137311|0.194735|0.173964|0.219169|0.500000| |1.911012|3.797270|2.302818|2.620542|4.145639|3.729599|6.891285|4.273391|0.099816|4.275984|0.105531|45.974606|8.938797|5.816494|4.891075|5.513110|8.804837|17.540202|4.755004|2.860547|4.781476|2.472594|14.514336|1.837759|2.221804|0.043324|2.099686|1.657257|2.542612|1.582665|1.579040|1.653615|1.582921|1.476193|10.287746|0.049381|0.054489|0.050445|0.066882|0.058360|0.076492|0.067012|0.079107|0.123221|0.108800|0.123297|0.139861|0.220515|0.206002|0.304037|0.500000| |3.545993|6.985692|4.404284|4.386579|7.114217|7.334310|14.904836|6.765652|0.149884|9.151911|0.181653|45.456942|4.791825|4.903462|3.661455|3.002221|3.058532|3.567773|26.008637|9.320787|10.805437|7.578363|31.801991|3.792688|4.083834|0.075726|3.716731|3.102027|5.383241|2.788329|2.742825|2.842569|2.575288|2.359627|16.943151|0.086355|0.111207|0.088310|0.151461|0.102007|0.121225|0.098474|0.128015|0.100145|0.094607|0.073311|0.078778|0.086559|0.073083|0.089095|0.097643|0.500000| |4.531424|7.802683|4.631463|3.877321|5.560268|4.529989|8.403059|4.088539|0.106569|4.763946|0.120150|25.964340|3.030843|3.169993|2.645482|2.242116|2.228669|2.474350|9.951214|8.823315|10.718024|17.653087|56.582068|7.081918|6.452823|0.111758|5.621409|4.956662|10.412582|4.020342|3.813223|3.723467|3.199339|2.976461|22.721546|0.108750|0.162585|0.110205|0.169171|0.110393|0.102414|0.089808|0.106477|0.073390|0.071845|0.056817|0.059967|0.062882|0.055225|0.064218|0.067789|0.221216|0.500000| |3.222418|5.613949|3.297385|2.980071|4.368142|3.685123|6.946267|3.618963|0.092956|4.606807|0.119723|27.583636|2.996161|2.963995|2.439920|2.137664|2.176180|2.487962|9.341761|8.910100|11.299741|17.594283|56.201787|6.275074|6.139727|0.110964|5.206077|4.303826|8.144380|3.503952|3.127242|3.005809|2.582328|2.424965|18.782821|0.080316|0.107190|0.082458|0.110936|0.081758|0.081030|0.071387|0.084708|0.066369|0.065480|0.053774|0.057902|0.060719|0.054515|0.065627|0.069394|0.194236|0.302556|0.500000| |3.089762|4.909698|2.972098|2.489293|3.160429|2.368351|4.531640|2.121010|0.056489|2.238264|0.058488|14.421908|1.824652|1.866503|1.694502|1.518052|1.533182|1.628204|3.642152|2.818211|4.424787|3.583290|24.813093|4.890742|6.334805|0.105525|8.174236|9.015826|9.397424|17.574866|9.022836|7.140487|4.680570|4.182499|36.404307|0.088717|0.099494|0.076377|0.094801|0.084773|0.069586|0.062481|0.060861|0.048347|0.046005|0.039982|0.040461|0.044062|0.039372|0.042672|0.045777|0.080838|0.113215|0.101752|0.500000| |2.913281|4.492031|2.603768|2.188651|2.792832|2.053701|3.823942|1.874458|0.050856|1.963733|0.052338|12.601794|1.613478|1.658398|1.524554|1.374028|1.374556|1.450371|3.123123|2.462548|4.002559|3.037766|22.899933|4.567391|6.779055|0.115544|10.204572|9.052190|7.712724|17.583088|8.891161|5.805093|4.351085|4.364749|44.554807|0.084948|0.092074|0.074369|0.079942|0.074592|0.060083|0.056194|0.054880|0.043278|0.041859|0.036385|0.036898|0.039220|0.035523|0.038368|0.040488|0.067309|0.092481|0.084154|0.302290|0.500000| |3.617254|5.933628|3.875814|3.142396|3.722756|2.708468|5.278448|2.299318|0.060848|2.311270|0.059093|14.798288|1.941833|2.027974|1.873856|1.656687|1.664678|1.730600|3.683782|2.693742|4.183121|3.212485|20.773886|3.611456|4.445856|0.077665|5.088777|4.920001|6.501135|6.645550|8.936841|17.734487|8.581234|5.732365|37.750742|0.109749|0.111138|0.084864|0.122501|0.119660|0.090280|0.078453|0.069858|0.054804|0.050679|0.044024|0.043452|0.048650|0.042455|0.044637|0.048498|0.083981|0.106662|0.087535|0.207964|0.144631|0.500000| 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