Version2.2 2021-02-11T01:07:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 16-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CCC[NH+](C1)Cc2csc(n2)NC(=O)[C@@H](C(C)C)NS(=O)(=O)c3cccs3 C36025617 RHF 6-31G(d) (6D,7F) C[C@H]1CCC[NH+](C1)Cc2csc(n2)NC(=O)[C@@H](C(C)C)NS(=O)(=O)c3cccs3 C01[X(C19H29N4O3S3)] 168 C1 505 C[C@H]1CCC[NH+](C1)Cc1csc(n1)NC(=O)[C@@H](C(C)C)NS(=O)(=O)c1cccs1 C[C@H]1CCC[NH+](C1)Cc1csc(n1)NC(=O)[C@@H](C(C)C)NS(=O)(=O)c1cccs1 C[C@H]1CCC[NH+](C1)Cc2csc(NC(=O)[C@H](N[S](=O)(=O)c3sccc3)C(C)C)n2 InChIKey=YYGKCTSOYTZWKF-WMLDXEAASA-O InChI=1S/C19H28N4O3S3/c1-13(2)17(22-29(25,26)16-7-5-9-27-16)18(24)21-19-20-15(12-28-19)11-23-8-4-6-14(3)10-23/h5,7,9,12-14,17,22H,4,6,8,10-11H2,1-3H3,(H,20,21,24)/p+1/t14-,17+/m0/s1 InChI=1/C19H28N4O3S3/c1-13(2)17(22-29(25,26)16-7-5-9-27-16)18(24)21-19-20-15(12-28-19)11-23-8-4-6-14(3)10-23/h5,7,9,12-14,17,22H,4,6,8,10-11H2,1-3H3,(H,20,21,24)/p+1/t14-,17+/m0/s1/fC19H29N4O3S3/h21,23H/q+1 C[C@H]1CCC[NH+](C1)Cc2csc(n2)NC(=O)[C@@H](C(C)C)NS(=O)(=O)c3cccs3 C01[X(C19H29N4O3S3)] 168 C01 505 C[C@H]1CCC[NH+](C1)Cc1csc(n1)NC(=O)[C@@H](C(C)C)NS(=O)(=O)c1cccs1 C[C@H]1CCC[NH](C1)C[C]1=CS[C]([N]1)NC(=O)[C@@H](C(C)C)N[S@]([O])(=O)C1=[CH][CH]=[CH]S1 C[C@H]1CCC[NH](C1)CC2=CS[C]([N]2)NC(=O)[C@H](N[S]([O])(=O)c3sccc3)C(C)C InChIKey=YGLCTKSZPCPEQL-WMLDXEAASA-N InChI=1S/C19H29N4O3S3/c1-13(2)17(22-29(25,26)16-7-5-9-27-16)18(24)21-19-20-15(12-28-19)11-23-8-4-6-14(3)10-23/h5,7,9,12-14,17,22-23H,4,6,8,10-11H2,1-3H3,(H,20,21,24)/t14-,17+/m0/s1 InChI=1/C19H29N4O3S3/c1-13(2)17(22-29(25,26)16-7-5-9-27-16)18(24)21-19-20-15(12-28-19)11-23-8-4-6-14(3)10-23/h5,7,9,12-14,17,22-23H,4,6,8,10-11H2,1-3H3,(H,20,21,24)/t14-,17+/m0/s1/f/h21H 3430.0987808783 -2371.031859 1-A 20571.4792 121 384 505 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.28863 -92.09160 -92.05710 -20.64853 -20.63129 -20.62791 -15.83882 -15.72137 -15.67808 -15.67654 -11.46677 -11.46323 -11.43800 -11.42525 -11.42166 -11.39871 -11.37865 -11.37802 -11.37460 -11.36758 -11.35562 -11.35457 -11.34710 -11.33563 -11.33235 -11.32715 -11.31429 -11.28943 -11.28818 -9.25958 -9.10108 -9.06690 -6.94612 -6.94567 -6.94454 -6.78315 -6.78219 -6.78039 -6.74943 -6.74847 -6.74670 -1.55628 -1.52144 -1.48043 -1.43210 -1.43151 -1.34958 -1.32689 -1.26377 -1.24898 -1.20344 -1.18864 -1.17529 -1.16625 -1.10273 -1.09436 -1.08063 -1.07099 -1.06093 -1.02947 -1.01349 -0.98759 -0.97387 -0.95184 -0.94498 -0.90518 -0.88553 -0.87130 -0.85407 -0.85241 -0.83827 -0.83234 -0.82551 -0.81621 -0.80704 -0.79503 -0.77872 -0.77349 -0.76167 -0.75349 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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 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 31.97207 15.99491 15.99491 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 1.00783 1.00783 7084.6062 32958.0969 33830.0764 0.99996 0.00813 0.00317 -0.00832 0.99769 0.06741 -0.00262 -0.06744 0.99772 1 0.01223 0.00263 0.00256 0.25474 0.05476 0.05335 10.23 17.31 18.66 34.12 57.73 65.60 70.97 88.36 94.00 125.95 138.32 161.94 210.51 226.48 231.34 239.05 264.78 299.18 344.76 350.90 354.91 364.64 384.52 398.60 407.78 423.97 453.99 480.92 486.74 508.62 539.02 556.07 589.83 601.33 625.59 650.83 668.82 689.36 690.71 748.49 758.10 781.13 822.29 862.00 869.68 886.18 908.89 956.94 984.79 1015.49 1032.63 1061.11 1091.75 1138.40 1157.01 1165.69 1196.75 1214.77 1263.42 1264.91 1291.55 1329.61 1332.18 1335.31 1364.74 1378.77 1414.81 1432.06 1455.33 1458.04 1462.37 1480.30 1502.82 1506.59 1522.91 1532.36 1541.53 1561.96 1577.06 1615.75 1619.05 1645.90 1656.28 1665.44 1668.39 1738.59 1754.18 1757.47 1782.07 1800.75 1825.85 1839.06 1856.76 1862.19 1875.54 1895.70 1951.56 1989.74 2022.79 2036.39 2044.24 2053.36 2065.26 2095.51 2100.72 2126.38 2137.26 2157.13 2164.11 2169.66 2172.98 2191.00 2200.36 2212.02 2230.78 2242.60 2247.21 2263.71 2275.94 2287.53 2288.38 2325.22 2339.30 2346.92 2350.85 2352.28 2357.18 2359.70 2361.04 2363.36 2365.29 2365.92 2378.09 2388.58 2390.74 2500.40 2514.27 2534.59 2863.96 4569.64 4578.16 4608.95 4618.53 4619.13 4624.81 4631.49 4705.00 4706.09 4709.50 4710.26 4711.46 4715.11 4716.44 4734.35 4736.21 4739.63 4739.82 4755.33 4791.59 4800.99 4845.18 4913.08 4939.02 4955.43 4958.88 5305.11 5457.01 5552.33 0.519482 0.547450 0.548394 0.455109 -2370.512377 -2370.484409 -2370.483465 -2370.576750 3.128794D-04 MUNgauss RevisionA2.1 retrievium 11-Feb-2021 DUDE C[C@H]1CCC[NH+](C1)Cc2csc(n2)NC(=O)[C@@H](C(C)C)NS(=O)(=O)c3cccs3 C36025617 RHF 6-31G(d) (6D,10F) C1 457.140181 |X|Y|Z| 127.855648 47.965662 43.857729 64.550384 22 6 7 16 15 4 3 |36.858105| |12.452864|36.858105| |8.918637|17.478459|0.500000| |7.486536|12.431629|0.246967|36.858105| |4.888041|7.535635|0.190418|12.456382|36.858105| |4.370290|6.449199|0.158986|7.543800|12.511426|36.858105| |4.956966|7.618038|0.193445|6.524744|7.680573|12.632090|53.358707| |4.713517|7.245988|0.216883|6.041700|7.310804|9.382753|25.704517|0.500000| |7.617293|12.460949|0.248024|7.588685|6.524466|7.647244|17.245499|0.260277|36.858105| |3.798265|4.932871|0.129508|4.350614|4.943140|7.520773|17.141158|0.261598|7.561812|36.858105| |3.551187|4.253375|0.105974|3.872786|4.139515|5.940425|10.242238|0.158473|6.335322|12.737155|36.858105| |3.297127|3.677455|0.092677|3.253880|3.303523|4.270397|7.235131|0.122687|5.199004|7.579401|14.224707|36.858105| |2.811878|3.005932|0.075126|2.804040|2.817545|3.490607|5.259418|0.091406|3.875960|4.777133|7.538697|11.016502|388.023441| |2.908366|3.243867|0.079822|3.200693|3.343351|4.358226|6.019568|0.100875|4.162079|5.321774|8.715134|7.909848|77.992974|36.858105| |3.251770|3.843874|0.094205|3.811607|4.168875|6.023458|8.263344|0.130577|5.186860|7.685255|13.837034|8.277801|52.788437|14.833575|53.358707| |2.572284|2.817123|0.069712|2.893014|3.026426|3.752969|4.853304|0.084021|3.387150|3.988653|5.459676|5.056174|49.236587|13.875358|11.237330|53.358707| |2.253167|2.394345|0.059975|2.435050|2.497525|2.958912|3.904930|0.069614|2.798571|3.176960|4.129643|4.159402|43.088140|7.831838|7.231091|18.864902|36.858105| |2.195113|2.293443|0.057744|2.275003|2.296422|2.693875|3.684336|0.066247|2.693694|3.037381|3.967586|4.304656|49.082915|6.852005|6.390649|11.570205|15.958074|73.516695| |2.003123|2.117895|0.053510|2.203431|2.271825|2.608375|3.346119|0.060786|2.388455|2.637631|3.210563|3.148001|29.011933|5.052465|5.455638|10.537947|12.474267|14.150816|36.858105| |2.005876|2.153351|0.054547|2.280101|2.398121|2.763901|3.451927|0.062762|2.413760|2.700933|3.225296|3.047345|26.639937|4.922620|5.617770|10.301648|8.914429|10.519540|17.633747|0.500000| |2.003246|2.072858|0.052029|2.173796|2.185827|2.431866|3.108896|0.056719|2.283610|2.370838|2.823260|2.783506|24.869551|4.118682|4.646155|7.694863|7.498917|10.674191|12.294817|0.247498|36.858105| |1.903590|1.928503|0.048604|1.980311|1.955454|2.151949|2.827886|0.052011|2.118810|2.164322|2.570184|2.629663|23.839749|3.588167|4.039598|6.095294|6.021619|10.472519|7.371169|0.152065|12.428890|36.858105| |1.805151|1.870370|0.047422|1.990776|2.018451|2.197911|2.767295|0.051211|2.014556|2.080438|2.390824|2.321465|19.675467|3.234449|3.865840|5.689969|4.923653|7.351287|7.546616|0.202406|12.439658|7.546615|36.858105| |1.759962|1.850970|0.047447|1.903452|1.966989|2.235929|2.916713|0.053888|2.074076|2.325223|2.769358|2.778740|25.230881|4.012334|4.476930|7.252665|7.799875|11.943061|13.106223|0.257547|7.669175|6.387030|6.197113|53.358707| |1.659282|1.768943|0.045920|1.812918|1.910598|2.191777|2.867048|0.053498|1.989638|2.330730|2.729297|2.714308|23.726214|3.758564|4.352931|6.355763|5.831332|9.284269|7.125216|0.191560|4.749125|4.115446|4.304007|15.670753|388.023441| |1.550970|1.638328|0.042803|1.654525|1.728112|1.968290|2.630794|0.049516|1.842032|2.153838|2.505869|2.568042|22.456664|3.296172|3.836484|5.198444|4.727003|8.473593|5.134023|0.130442|3.863549|3.688472|3.491231|10.516733|95.048128|73.516695| |1.807265|1.963202|0.050923|2.019089|2.169340|2.553092|3.309537|0.061271|2.240542|2.741900|3.245218|3.133379|26.994270|4.593719|5.360189|7.866479|6.433671|9.494015|6.858286|0.209228|4.427513|3.669871|3.922454|10.429592|94.404758|13.535828|73.516695| |1.500888|1.598812|0.041788|1.660599|1.759003|1.975067|2.541773|0.048018|1.759960|2.019003|2.279770|2.225594|18.463948|2.939576|3.588861|4.828425|4.067068|6.455637|5.189859|0.154855|4.041128|3.474632|4.192574|9.570807|77.588691|13.183594|13.185935|36.858105| |1.362400|1.439115|0.037813|1.487828|1.564497|1.733069|2.249309|0.042860|1.570199|1.776082|1.979929|1.954659|16.025631|2.465565|3.041806|3.914222|3.278248|5.438634|4.006692|0.114141|3.393440|3.093451|3.601763|7.229988|49.306696|11.352237|8.924780|14.128377|36.858105| |1.285571|1.358606|0.035835|1.415476|1.492980|1.633932|2.102203|0.040312|1.465222|1.639194|1.796300|1.754825|14.055391|2.177134|2.746394|3.413966|2.760762|4.545635|3.334627|0.097871|2.964952|2.683709|3.286674|5.486514|33.956221|7.707894|7.027649|8.265452|13.315818|36.858105| |1.339186|1.425350|0.037564|1.500955|1.597254|1.746751|2.214812|0.042432|1.532097|1.715428|1.868844|1.796661|14.236946|2.262565|2.891279|3.578940|2.819285|4.518662|3.440276|0.105937|3.051810|2.656836|3.461029|5.341289|32.496658|6.855216|7.268018|7.783786|8.255888|14.137862|36.858105| |1.518807|1.633339|0.042748|1.728156|1.856551|2.069037|2.595693|0.049176|1.777264|2.026556|2.241585|2.126473|17.052408|2.818052|3.571196|4.623407|3.616211|5.539895|4.576424|0.152198|3.760108|3.083191|4.155039|6.926732|44.384991|8.108615|10.617303|11.002826|7.412036|7.431498|11.075208|388.023441| |17.583384|8.824254|0.214051|6.849218|4.519305|3.819518|5.578815|0.112135|5.525569|3.210103|2.989197|2.782493|17.302465|2.531375|3.811420|3.120271|2.033578|3.512426|1.841300|0.051425|1.856026|1.765955|1.697204|2.216841|10.937895|2.558530|2.959846|1.407682|1.284670|1.220280|1.272908|10.187788|0.500000| |17.560345|8.753725|0.213533|5.455417|4.054791|3.830933|6.247628|0.124086|6.930989|3.719000|3.475222|3.348302|19.968592|2.791605|4.191625|3.322478|2.164760|3.809556|1.911491|0.052745|1.900924|1.829922|1.706741|2.311656|11.437984|2.700239|3.102249|1.448428|1.320518|1.242298|1.286385|10.327231|0.302237|0.500000| |17.549260|8.768645|0.173477|6.770457|4.526743|4.200827|6.226920|0.115253|6.876284|3.650328|3.615202|3.399955|21.345993|3.114868|4.634910|3.781787|2.438993|4.222977|2.160536|0.059679|2.191571|2.088629|1.956348|2.555115|12.396774|2.886747|3.358478|1.569538|1.421505|1.337153|1.391666|11.257380|0.301877|0.301061|0.500000| |6.811450|8.840900|0.215785|17.578784|8.845709|5.506388|6.665674|0.134156|5.521913|3.538298|3.177997|2.755686|17.244567|2.716332|4.271814|3.415711|2.161854|3.609275|1.991346|0.057215|1.985478|1.822190|1.845969|2.367197|11.792305|2.703335|3.248707|1.537500|1.388559|1.330304|1.410442|11.418921|0.203830|0.139959|0.166578|0.500000| |6.940517|8.846214|0.174068|17.515656|8.843462|6.765456|7.732552|0.137448|6.804253|4.097318|3.919692|3.322353|21.113521|3.457530|5.490984|4.328148|2.662541|4.382178|2.411123|0.069177|2.416191|2.186160|2.197825|2.787594|13.637258|3.088933|3.781945|1.750867|1.562352|1.482795|1.573986|12.954931|0.172861|0.140900|0.205663|0.303494|0.500000| |4.478200|6.727043|0.200080|8.815210|17.510915|8.863884|9.359580|0.213757|5.674913|4.616093|3.699524|3.020660|18.121624|2.931372|4.893102|3.609441|2.231308|3.689945|2.041375|0.059685|1.956314|1.768473|1.821192|2.448462|12.577157|2.870962|3.556399|1.639159|1.468827|1.407259|1.501929|12.288379|0.118777|0.107104|0.110405|0.215480|0.173386|0.500000| |4.054478|5.486657|0.139930|8.794162|17.575616|8.976178|7.612219|0.147103|4.896106|4.104204|3.630854|2.946576|18.617111|3.165147|5.239065|4.054333|2.471565|3.985166|2.300933|0.068415|2.228644|1.968232|2.091872|2.701807|13.691315|3.067434|3.881203|1.797680|1.596339|1.535195|1.657048|13.715053|0.107912|0.094572|0.108541|0.210069|0.215104|0.304164|0.500000| |3.540678|4.857325|0.128637|5.482710|8.767140|17.625939|12.375459|0.224812|5.602912|7.150065|5.486467|3.972404|23.389451|4.128667|7.723317|4.930339|2.872662|4.623881|2.565080|0.076576|2.346789|2.064242|2.146549|3.032686|15.890432|3.556165|4.696688|2.029634|1.775811|1.680338|1.806797|15.281010|0.088490|0.089037|0.094377|0.123156|0.138560|0.215007|0.211587|0.500000| |4.204621|5.692506|0.132739|6.738959|8.744857|17.678617|12.403267|0.182668|6.999205|6.865064|6.556689|4.618839|28.119027|5.338038|10.442336|6.277189|3.477010|5.494723|3.023998|0.089487|2.813785|2.443543|2.502405|3.429101|17.263937|3.818821|5.063863|2.162697|1.876444|1.757758|1.883780|16.106077|0.101195|0.101964|0.119025|0.138379|0.196774|0.172795|0.213378|0.302384|0.500000| |6.887370|8.770694|0.173689|6.824592|5.778574|7.031449|12.418829|0.182466|17.634626|6.867494|7.066735|5.843699|32.224307|4.979076|8.324526|5.409706|3.221754|5.488369|2.693992|0.074996|2.591236|2.395556|2.241767|3.120641|15.353155|3.528415|4.318872|1.887475|1.673346|1.551700|1.621318|13.481413|0.140511|0.170334|0.203905|0.139484|0.199943|0.132492|0.129568|0.144247|0.212266|0.500000| |6.896777|8.759474|0.214568|5.499588|4.888950|5.597291|12.380305|0.223209|17.611868|7.218270|6.056538|5.491353|27.694324|3.871422|6.288086|4.246419|2.644286|4.635789|2.243871|0.062252|2.138399|2.019946|1.882706|2.696274|13.589406|3.191881|3.796667|1.682626|1.511458|1.405940|1.458642|11.938644|0.141093|0.206173|0.168721|0.123245|0.139232|0.127205|0.107721|0.126716|0.144008|0.301624|0.500000| |3.720931|4.652118|0.127838|3.875269|4.193453|5.590502|12.407288|0.236907|6.880039|17.632321|8.962688|7.232160|31.384193|4.423514|7.696973|4.632609|2.832862|4.948413|2.369481|0.066535|2.149496|2.002093|1.894487|2.899678|15.233983|3.588096|4.398616|1.861569|1.657577|1.530660|1.588609|13.151246|0.087485|0.105725|0.097214|0.090358|0.099925|0.113811|0.097263|0.148757|0.140486|0.164665|0.215281|0.500000| |3.240304|4.153651|0.112519|3.911043|4.742383|7.224894|12.411668|0.224937|5.582219|17.614773|8.928106|5.901818|29.855872|4.877204|9.449763|5.227853|3.069269|5.137432|2.602702|0.075355|2.305611|2.081514|2.052756|3.155082|16.913659|3.884408|5.061436|2.080608|1.823664|1.690300|1.780273|15.024737|0.078680|0.087321|0.086456|0.090745|0.101858|0.126771|0.113451|0.228847|0.177429|0.143099|0.145620|0.301084|0.500000| |3.240322|3.531437|0.091286|3.023309|3.021305|3.745122|6.548219|0.117180|4.882657|6.598512|8.761763|17.789025|55.049401|5.504148|7.780530|5.396763|3.451238|6.491287|2.713676|0.072738|2.444762|2.359236|2.072411|3.345549|17.193740|4.155484|4.853274|2.012538|1.794948|1.619386|1.647591|13.631153|0.076125|0.094593|0.091083|0.072344|0.084115|0.078675|0.074405|0.097365|0.107718|0.143550|0.155450|0.205161|0.144632|0.500000| |2.520032|2.808219|0.069793|2.974351|3.202886|3.988705|4.887959|0.085011|3.308636|3.916788|5.028428|4.372752|37.514191|9.536529|10.607216|26.003049|9.278276|10.880171|7.358055|0.238896|5.429055|4.078812|4.311427|6.899639|32.900574|6.479425|10.653651|3.700978|2.948245|2.615605|2.813132|26.633237|0.063014|0.065620|0.074974|0.071775|0.090806|0.077432|0.089606|0.109305|0.138364|0.105831|0.083069|0.091289|0.108345|0.097588|0.500000| |2.232330|2.307352|0.057145|2.444979|2.432204|2.701366|3.415535|0.061643|2.538726|2.559398|3.064215|2.975840|26.254845|4.508363|5.126667|8.441293|7.235987|10.100988|8.978716|0.213848|17.491272|8.918312|8.922771|7.680846|28.345087|5.875246|7.071062|3.435117|2.908779|2.604659|2.723364|23.780610|0.057202|0.058213|0.068735|0.061596|0.076951|0.059594|0.069031|0.071204|0.088547|0.081416|0.065150|0.063825|0.068366|0.071881|0.166535|0.500000| |1.725664|1.751989|0.044600|1.793021|1.784093|1.958485|2.583581|0.047958|1.918519|1.991352|2.336235|2.400534|21.488720|3.170658|3.620631|5.268610|5.166482|9.271811|6.538584|0.138673|8.759794|17.553791|6.914096|9.380437|31.088163|7.197403|6.515296|3.750578|3.434033|2.926366|2.818827|22.678561|0.044696|0.046347|0.052041|0.046105|0.054332|0.045260|0.049913|0.052750|0.060964|0.059408|0.051180|0.051558|0.053685|0.060517|0.099523|0.173577|0.500000| |1.889507|1.889997|0.047565|1.949177|1.900778|2.055272|2.694050|0.049769|2.043669|2.026697|2.367557|2.411554|21.153795|3.161424|3.668462|5.170862|4.675384|8.133928|5.433677|0.123764|8.853882|17.568492|6.888934|6.475106|23.940820|5.446631|5.460935|2.986318|2.720481|2.431621|2.422472|19.503569|0.049038|0.050309|0.057941|0.050234|0.060100|0.047754|0.053328|0.054397|0.064517|0.064078|0.054036|0.052300|0.053938|0.060745|0.098281|0.217515|0.303231|0.500000| |2.007667|2.023385|0.050829|2.044493|2.004134|2.225800|2.978828|0.054518|2.254445|2.304593|2.789865|2.929155|27.679121|3.967395|4.334992|6.550007|6.688033|13.146953|6.749358|0.138208|8.701904|17.597871|5.470007|7.976269|28.290509|6.555170|6.465942|3.213795|2.862317|2.465437|2.428645|20.075908|0.051267|0.054017|0.061431|0.051917|0.062609|0.050339|0.055339|0.058912|0.070237|0.071406|0.060214|0.059509|0.060846|0.072893|0.115509|0.209875|0.300935|0.301847|0.500000| |1.834274|1.924341|0.048838|2.079745|2.138929|2.327645|2.872447|0.053163|2.063345|2.144486|2.437880|2.316291|19.181224|3.260776|3.997370|5.764678|4.653471|6.731709|6.893659|0.219919|8.740238|5.477492|17.543956|7.479710|29.877497|5.893669|7.167391|4.271585|3.577295|3.363720|3.715863|33.012885|0.048029|0.047834|0.054942|0.053560|0.063787|0.053432|0.062382|0.063636|0.073906|0.063483|0.053064|0.053764|0.059359|0.057178|0.128277|0.214315|0.139975|0.141511|0.122097|0.500000| |1.778435|1.819803|0.046100|1.941076|1.941020|2.076602|2.620446|0.048706|1.933474|1.943387|2.208609|2.153274|17.972410|2.887525|3.506529|4.871603|4.077629|6.365286|5.487695|0.145958|8.819209|6.978700|17.565514|6.402662|24.748754|5.264822|5.712903|3.428014|3.073244|2.877378|3.005575|24.393736|0.046754|0.046633|0.053802|0.050430|0.059793|0.048702|0.055975|0.055878|0.065260|0.059691|0.050229|0.049472|0.052930|0.053928|0.101379|0.213271|0.174893|0.209432|0.141299|0.301867|0.500000| |1.653835|1.713537|0.043832|1.807898|1.842310|2.007118|2.551922|0.047596|1.847239|1.938115|2.213683|2.169957|18.373257|2.943170|3.524483|5.059424|4.470525|6.930179|6.817170|0.179661|8.777269|6.777129|17.579660|9.280634|33.497150|6.838759|7.122455|4.849251|4.267741|3.846397|3.943421|32.542512|0.043293|0.043762|0.049379|0.046762|0.054756|0.046664|0.052827|0.054971|0.062610|0.056508|0.048396|0.049425|0.053462|0.054289|0.105461|0.173717|0.203102|0.166467|0.139323|0.301339|0.301571|0.500000| 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