Version2.1 2021-01-19T16:59:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 06-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c(n1CC=C)C)C(=O)CSc2c3c(nc(n2)C(C)(C)C)n(c(=O)n(c3=O)C)C C15280710 RHF 6-31G(d) (6D,7F) Cc1cc(c(n1CC=C)C)C(=O)CSc2c3c(nc(n2)C(C)(C)C)n(c(=O)n(c3=O)C)C C01[X(C23H29N5O3S1)] 177 C1 542 C=CCn1c(C)cc(c1C)C(=O)CSc1nc(nc2c1c(=O)n(C)c(=O)n2C)C(C)(C)C C=CCn1c(C)cc(c1C)C(=O)CSc1nc(nc2c1c(=O)n(C)c(=O)n2C)C(C)(C)C CN1C(=O)N(C)c2nc(nc(SCC(=O)c3cc(C)n(CC=C)c3C)c2C1=O)C(C)(C)C InChIKey=BCUHYTLACCYUNB-UHFFFAOYSA-N InChI=1S/C23H29N5O3S/c1-9-10-28-13(2)11-15(14(28)3)16(29)12-32-19-17-18(24-21(25-19)23(4,5)6)26(7)22(31)27(8)20(17)30/h9,11H,1,10,12H2,2-8H3 InChI=1/C23H29N5O3S/c1-9-10-28-13(2)11-15(14(28)3)16(29)12-32-19-17-18(24-21(25-19)23(4,5)6)26(7)22(31)27(8)20(17)30/h9,11H,1,10,12H2,2-8H3 Cc1cc(c(n1CC=C)C)C(=O)CSc2c3c(nc(n2)C(C)(C)C)n(c(=O)n(c3=O)C)C C01[X(C23H29N5O3S1)] 177 C01 542 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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 7229.0881 33067.3950 39409.3645 0.99999 0.00344 -0.00098 -0.00344 0.99999 -0.00107 0.00097 0.00108 1.00000 1 0.01198 0.00262 0.00220 0.24965 0.05458 0.04579 16.66 23.49 30.42 43.07 49.62 68.45 82.93 99.16 108.56 118.97 157.49 162.67 167.93 174.87 178.26 200.05 201.94 235.51 239.42 250.92 275.20 290.74 301.37 321.64 349.87 353.57 384.02 415.79 416.29 435.86 452.91 463.38 466.69 478.41 491.66 500.12 518.57 534.87 544.23 565.68 607.58 617.35 623.26 634.24 668.34 686.94 724.79 772.38 807.74 845.83 856.38 866.61 875.99 933.97 962.47 1027.24 1033.22 1085.28 1109.23 1113.36 1133.48 1169.79 1188.89 1221.66 1232.87 1256.38 1265.79 1302.79 1315.63 1318.42 1342.62 1436.76 1461.20 1467.25 1469.50 1477.70 1478.82 1499.05 1522.31 1555.03 1567.51 1577.54 1628.33 1636.08 1656.79 1657.20 1662.01 1682.48 1694.65 1712.63 1808.11 1817.54 1824.26 1824.94 1826.34 1858.88 1860.21 1867.94 1870.33 1879.03 1944.70 1957.77 1978.35 1999.46 2043.34 2066.08 2073.67 2082.68 2110.57 2159.03 2172.96 2184.44 2193.97 2227.76 2236.84 2246.93 2260.56 2262.49 2277.08 2280.51 2290.32 2298.10 2301.58 2340.46 2341.27 2341.93 2344.55 2345.50 2353.17 2355.07 2361.95 2369.68 2371.81 2372.81 2374.18 2374.24 2380.35 2382.18 2386.08 2405.87 2456.10 2495.08 2559.77 2563.28 2700.75 2780.95 2812.53 2851.59 4604.32 4606.15 4611.14 4613.36 4629.33 4672.46 4685.51 4694.10 4695.62 4696.97 4697.62 4698.55 4709.42 4716.18 4738.33 4739.33 4747.26 4753.81 4754.64 4782.98 4789.06 4795.66 4795.90 4816.87 4853.25 4898.97 4902.10 4909.69 4929.12 0.536237 0.567867 0.568811 0.469796 -1781.725672 -1781.694041 -1781.693097 -1781.792112 3.320979D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE Cc1cc(c(n1CC=C)C)C(=O)CSc2c3c(nc(n2)C(C)(C)C)n(c(=O)n(c3=O)C)C C15280710 RHF 6-31G(d) (6D,10F) C1 455.199112 |X|Y|Z| 133.649567 63.235802 20.791446 56.010798 18 6 7 16 12 5 1 |36.858105| |12.724512|36.858105| |7.399606|14.123966|36.858105| |5.114898|8.462541|13.275103|36.858105| |5.184819|8.482875|8.446659|13.856030|36.858105| |7.529319|13.768714|8.634411|8.617853|14.002335|53.358707| |6.299973|7.578829|5.279323|5.262501|7.613826|17.827587|36.858105| |5.351474|5.794613|4.370335|4.312310|5.644417|10.498547|12.635151|36.858105| |4.843352|4.614426|3.579630|3.402536|4.109057|7.240063|7.621916|14.455478|36.858105| |3.799734|5.183047|5.100706|7.302704|12.701118|10.364985|6.353210|5.107665|3.785730|36.858105| |3.731714|5.183296|7.333402|12.958573|7.499331|7.126094|3.816264|3.323649|2.738528|5.920481|36.858105| |3.131091|4.137882|5.166499|8.071545|6.437840|6.088775|3.495801|3.091911|2.557247|6.250146|15.880965|73.516695| |3.439993|4.417407|6.362869|7.527091|4.950846|5.516805|3.104555|2.785736|2.389971|4.037379|12.516739|14.299126|36.858105| |2.592458|3.130686|3.976373|4.640256|3.614055|4.105502|2.472241|2.272768|1.990136|3.294117|6.975684|12.007533|10.495427|388.023441| |2.399478|2.764073|3.436547|3.619595|2.900019|3.495837|2.150015|2.002517|1.795628|2.606403|4.633744|7.548983|6.972347|77.061602|36.858105| |2.040329|2.296760|2.742657|2.879531|2.414164|2.949491|1.862615|1.752901|1.590565|2.233989|3.537646|6.066055|4.655512|49.022233|13.573583|36.858105| |1.920175|2.109156|2.475821|2.513081|2.137941|2.676546|1.710176|1.619635|1.488116|1.968170|2.940356|4.963693|3.762843|33.696271|8.037354|13.663460|36.858105| |2.035509|2.205441|2.594338|2.548010|2.153741|2.742057|1.747012|1.654857|1.528433|1.946245|2.896646|4.746638|3.756871|30.236968|6.995454|8.000164|14.454219|53.358707| |2.368143|2.588139|3.129790|3.008032|2.471512|3.149151|1.969210|1.852321|1.699690|2.177988|3.415641|5.387679|4.697254|34.850544|8.368918|7.133055|8.469965|19.627606|36.858105| |2.632460|2.985402|3.766234|3.713815|2.931359|3.636830|2.219947|2.066277|1.864725|2.549183|4.449937|6.819551|6.900926|51.028418|14.360473|8.039731|7.096434|11.048064|14.433616|53.358707| |2.487174|2.626561|3.116281|2.847615|2.370405|3.116868|1.962813|1.853369|1.721909|2.059943|3.050466|4.742908|3.981716|26.598339|5.186100|4.537729|5.244964|10.718319|12.470462|10.585017|36.858105| |2.259200|2.344124|2.704737|2.485571|2.119182|2.811139|1.799135|1.686478|1.579925|1.866163|2.629430|4.169159|3.278482|22.403884|4.156976|3.885883|4.604121|8.882789|7.651489|7.421662|12.369879|36.858105| |3.086545|3.239397|3.932795|3.379483|2.751936|3.685412|2.274915|2.130818|1.971534|2.310978|3.471226|5.182661|4.542024|26.863958|4.693591|3.821045|3.984604|6.937354|7.522614|9.474976|12.427256|7.600006|36.858105| |2.260059|2.346431|2.706579|2.487639|2.121511|2.814040|1.803484|1.739235|1.633869|1.868116|2.630434|4.169383|3.279863|22.408480|4.157745|3.886094|4.603678|8.880631|7.651842|7.423662|12.369809|7.572899|7.599928|36.858105| |1.687326|1.832371|2.103503|2.141199|1.865883|2.351462|1.526904|1.455100|1.346971|1.746146|2.461601|4.243680|2.991283|26.251099|5.232367|7.945212|13.908122|11.320340|5.456946|6.396714|4.047009|3.821937|3.174568|3.821312|53.358707| |1.571313|1.714353|1.951176|2.023324|1.786650|2.234841|1.461696|1.395288|1.290045|1.702002|2.342482|4.143802|2.759806|24.976418|4.513731|6.752893|7.885491|7.237623|4.084776|5.224359|3.178579|3.022984|2.647311|3.022686|18.742026|36.858105| |1.431461|1.547949|1.738477|1.796102|1.608168|2.026367|1.339219|1.283804|1.194110|1.543000|2.045751|3.636011|2.352760|20.544116|3.517603|4.742504|5.439381|5.709102|3.331299|4.235842|2.738208|2.665703|2.311419|2.665404|11.517541|15.929668|73.516695| |1.636704|1.812414|2.076735|2.202902|1.940065|2.388220|1.554276|1.478477|1.355671|1.866010|2.616572|4.728270|3.067501|29.756318|5.101300|7.911868|6.947452|6.390182|3.927856|5.432703|3.012018|2.801301|2.605995|2.801182|11.032875|13.821819|15.033738|53.358707| |1.844181|2.078585|2.431534|2.620870|2.258912|2.735481|1.751923|1.654691|1.501348|2.155859|3.231627|5.845659|3.924090|42.754024|7.507156|13.048089|7.729709|7.020250|4.613564|6.943196|3.368120|3.024845|2.968741|3.024982|9.246973|7.753928|9.571134|18.705670|36.858105| |1.868559|2.134730|2.494178|2.771774|2.405532|2.859910|1.830474|1.724276|1.552267|2.340040|3.509220|6.634324|4.089523|47.574082|6.480850|8.101273|5.325988|5.492239|3.861183|6.089570|2.955067|2.658414|2.723568|2.658677|6.484710|5.407124|7.538738|11.577288|15.932720|73.516695| |1.499766|1.658130|1.871986|2.006730|1.803467|2.217097|1.460072|1.393648|1.280179|1.769477|2.363031|4.374864|2.652256|25.033517|3.845915|5.089547|4.527336|4.694568|3.029275|4.248731|2.449384|2.310469|2.186287|2.310405|7.016849|7.791552|12.427714|17.689808|7.873486|12.801700|36.858105| |1.582806|1.689243|1.911985|1.911204|1.683774|2.155704|1.413101|1.352997|1.264431|1.571947|2.137493|3.655978|2.549665|20.993892|3.959567|5.103610|7.794189|9.676646|4.762606|5.283040|3.937517|3.930823|3.022133|3.929713|17.689840|7.787426|12.475955|7.022728|4.461574|6.198232|3.894755|36.858105| |17.526861|8.841103|5.829778|4.429679|4.653329|8.992463|6.190439|4.944274|4.638145|3.584421|3.347195|5.120973|3.078137|16.976558|2.215605|1.906854|1.801044|2.589649|2.188917|3.279877|2.296540|2.136175|2.798177|2.078937|2.171262|1.491652|2.427102|2.111698|1.736857|3.131722|1.429392|1.502155|0.500000| |17.560374|8.843329|5.789337|4.413171|4.656470|9.042951|6.348874|6.215096|6.003258|3.590182|3.332730|5.103027|3.062348|16.907190|2.206133|1.899720|1.794381|2.579320|2.178952|3.263983|2.285546|2.070486|2.782077|2.126315|2.164092|1.487158|2.420356|2.105370|1.731192|3.122066|1.425596|1.497371|0.301545|0.500000| |17.594584|9.005371|7.031301|4.674183|4.375160|7.631094|4.670432|4.181452|3.904040|3.290443|3.592962|5.298238|3.506887|18.715134|2.509443|2.125414|2.024197|2.968640|2.569694|3.845274|2.772907|2.506915|3.560385|2.509518|2.407407|1.628927|2.632982|2.289681|1.892741|3.368171|1.527551|1.669331|0.302283|0.301675|0.500000| |6.506592|8.859935|17.784325|8.466646|5.783189|8.001279|4.146403|3.611941|3.107478|4.014918|6.392766|8.123983|6.786399|29.429754|3.794879|2.970360|2.718086|3.974432|3.641530|5.991220|3.723824|3.154499|5.019248|3.153598|3.094800|2.071578|3.262542|2.967951|2.556873|4.567391|1.934636|2.074392|0.144879|0.143397|0.200430|0.500000| |6.977617|7.057999|4.825743|4.493326|5.793067|12.499647|17.612224|8.907896|7.242102|4.867448|3.364738|5.443954|2.850992|16.269744|2.033364|1.771477|1.643561|2.301625|1.904459|2.887315|1.923687|1.784795|2.239326|1.764712|2.003394|1.403914|2.293912|2.017084|1.659298|3.057208|1.390108|1.372245|0.217583|0.191856|0.139267|0.109762|0.500000| |4.749010|5.714787|4.492470|4.851376|7.257312|12.581372|17.617104|8.929401|6.091888|7.388290|3.703339|6.291436|2.957543|17.216803|2.078041|1.814991|1.657150|2.281229|1.871242|2.873397|1.842930|1.701902|2.100225|1.691115|2.024934|1.435981|2.344038|2.090186|1.728716|3.239734|1.454498|1.372279|0.134033|0.129913|0.104785|0.100227|0.304732|0.500000| |4.574373|5.260060|4.292065|4.457514|5.830550|9.441755|8.652642|17.674872|9.168043|5.541020|3.510470|5.895819|2.898376|16.943912|2.072966|1.813949|1.664587|2.299971|1.887071|2.882757|1.867670|1.683193|2.129873|1.762674|2.034622|1.438806|2.349940|2.086128|1.721042|3.207295|1.447958|1.382860|0.113932|0.143476|0.104420|0.098764|0.172133|0.202889|0.500000| |4.017127|3.842507|3.138328|3.011424|3.523327|5.813801|5.471314|9.106677|17.721215|3.327850|2.500877|4.193226|2.213635|13.331950|1.703497|1.520625|1.427854|1.993622|1.618827|2.401547|1.640089|1.502065|1.861102|1.574902|1.767822|1.246422|2.057631|1.779274|1.440443|2.644244|1.238060|1.222727|0.105301|0.137215|0.094567|0.077449|0.142917|0.130843|0.218729|0.500000| |4.968935|4.405054|3.386293|3.145690|3.717782|6.615021|6.910385|9.083099|17.688166|3.394857|2.546970|4.212008|2.256587|13.398736|1.718620|1.527231|1.437685|2.018351|1.647552|2.442733|1.682731|1.560055|1.930401|1.591960|1.774995|1.246364|2.055380|1.774807|1.438344|2.631971|1.230442|1.230083|0.141095|0.170048|0.110859|0.082922|0.216698|0.156044|0.173524|0.289212|0.500000| |3.611132|4.683504|4.414533|5.722746|8.863622|9.230696|6.514449|5.893306|4.232833|17.541661|4.763054|8.881403|3.482900|20.764463|2.368165|2.058599|1.831122|2.467926|2.013906|3.163091|1.918833|1.736105|2.142458|1.769106|2.229686|1.600623|2.595414|2.377144|1.996067|3.835699|1.665921|1.484097|0.093980|0.098936|0.086429|0.099052|0.133764|0.212830|0.193111|0.104725|0.101453|0.500000| |3.587481|4.660424|4.437954|5.806553|8.881495|9.083837|6.221128|4.714205|3.620578|17.529854|4.870495|9.145296|3.538057|21.100145|2.396900|2.081542|1.848326|2.488601|2.031160|3.195758|1.931717|1.779445|2.155535|1.746561|2.249143|1.615194|2.617222|2.401662|2.019390|3.885965|1.682965|1.495286|0.098110|0.093333|0.086076|0.099712|0.139237|0.225578|0.133189|0.087484|0.093046|0.301622|0.500000| |3.289625|4.370628|4.645398|6.926257|8.989321|7.694416|4.705253|4.046029|3.163778|17.696121|6.746002|14.786640|4.392586|26.522323|2.825837|2.420412|2.094584|2.778061|2.271214|3.662122|2.103989|1.898451|2.323276|1.903600|2.525350|1.823639|2.925652|2.759656|2.368602|4.659597|1.931143|1.651052|0.085875|0.086157|0.081979|0.105846|0.106787|0.144970|0.123572|0.079581|0.079584|0.301149|0.301778|0.500000| |3.590198|4.515210|6.542412|6.839466|4.635350|5.422660|3.060542|2.689151|2.334218|3.721475|8.889280|11.040750|17.627190|56.120956|6.564346|4.472387|3.760677|5.278928|4.989881|9.840880|4.354719|3.669358|5.155666|3.404969|4.055206|2.704723|4.114655|4.006967|3.685274|6.628021|2.530999|2.576118|0.090652|0.086384|0.103788|0.208988|0.080062|0.080632|0.075839|0.059583|0.062233|0.088696|0.094031|0.108748|0.500000| |3.589613|4.520983|6.546672|6.852770|4.645711|5.430951|3.072922|2.840477|2.456297|3.728401|8.887018|11.024933|17.628363|56.115658|6.566375|4.473670|3.761761|5.280470|4.991378|9.844032|4.355671|3.404291|5.155280|3.672088|4.056217|2.705315|4.115477|4.007732|3.686091|6.629233|2.531378|2.576721|0.086768|0.090036|0.103874|0.208289|0.078405|0.079555|0.082699|0.063750|0.064038|0.092714|0.089781|0.109508|0.304297|0.500000| |2.330099|2.436669|2.826445|2.607606|2.214561|2.925889|1.863833|1.723469|1.606808|1.946904|2.767559|4.379056|3.454663|23.467881|4.274791|3.921341|4.445627|7.948163|6.936671|7.493732|8.734355|17.540349|6.890933|5.486277|4.999885|2.975740|4.648698|3.828871|3.076431|4.858024|2.332217|3.646081|0.061805|0.058589|0.071478|0.091376|0.051520|0.049178|0.047562|0.042153|0.044216|0.049832|0.051925|0.055047|0.111257|0.096401|0.500000| |2.260641|2.291351|2.592561|2.341247|2.022789|2.728543|1.762515|1.659033|1.568687|1.777609|2.414903|3.827870|2.924639|19.490710|3.426506|3.199415|3.677951|6.614063|5.540050|5.912088|8.804530|17.549711|6.998869|6.909513|4.332459|2.600484|4.166306|3.296341|2.586654|4.119891|2.044996|3.336315|0.059615|0.057750|0.070457|0.083935|0.048970|0.046085|0.045719|0.041481|0.043272|0.046208|0.047250|0.049743|0.090429|0.085096|0.301549|0.500000| |2.010250|2.090265|2.386244|2.239781|1.933531|2.549962|1.648477|1.554236|1.459749|1.730102|2.395240|3.873611|2.942518|21.049326|3.948802|3.944235|4.986877|9.818541|6.960332|6.603467|8.737093|17.602173|5.503887|6.916663|5.890957|3.319504|5.243490|4.035555|3.102660|4.753239|2.424659|4.739037|0.053043|0.051691|0.061121|0.075587|0.045307|0.043623|0.043261|0.038739|0.039980|0.044907|0.045927|0.049177|0.089260|0.084134|0.301092|0.300964|0.500000| |3.323583|3.553278|4.419272|3.755562|3.003606|4.003661|2.438694|2.310606|2.122243|2.489696|3.844826|5.634906|5.104457|28.818157|4.856924|3.836304|3.853826|6.411429|6.800453|9.637134|8.744317|5.496234|17.584297|6.907441|4.174828|2.600609|4.027999|3.543012|3.005279|4.970726|2.195906|2.866658|0.081410|0.084009|0.106377|0.160142|0.065816|0.062014|0.064825|0.055810|0.057077|0.064452|0.063436|0.069543|0.152121|0.175804|0.140461|0.142074|0.122540|0.500000| |3.073142|3.087775|3.588658|3.027887|2.540477|3.490297|2.194238|2.069862|1.944194|2.142423|3.006872|4.554703|3.704158|22.180762|3.706584|3.164714|3.343924|5.697627|5.498588|6.797133|8.857125|6.988447|17.547183|6.988143|3.790254|2.353137|3.724779|3.122887|2.552427|4.195729|1.958792|2.732782|0.077935|0.077499|0.100617|0.124879|0.060782|0.055961|0.056948|0.051108|0.053340|0.055691|0.055946|0.059111|0.115039|0.115034|0.171007|0.212507|0.142405|0.301223|0.500000| |3.321614|3.547652|4.413642|3.750608|2.999000|3.997814|2.431192|2.225310|2.040587|2.486479|3.842678|5.634580|5.100930|28.812097|4.856251|3.836284|3.854127|6.412211|6.800599|9.634580|8.744582|6.907631|17.583978|5.496247|4.175237|2.600799|4.028302|3.543182|3.005261|4.970460|2.195986|2.867018|0.084562|0.080948|0.106195|0.160245|0.066760|0.062495|0.061308|0.052910|0.055755|0.063020|0.064866|0.069316|0.175690|0.151970|0.205716|0.172605|0.140526|0.302024|0.301223|0.500000| |2.010867|2.091932|2.387540|2.241332|1.935337|2.552169|1.651874|1.595827|1.502584|1.731692|2.396035|3.873838|2.943571|21.053565|3.949565|3.944562|4.986463|9.815974|6.960826|6.605056|8.737122|6.916547|5.503860|17.602027|5.889853|3.319171|5.242849|4.035440|3.102877|4.753809|2.424624|4.737162|0.051883|0.052824|0.061171|0.075571|0.044875|0.043384|0.045018|0.040366|0.040682|0.045655|0.045182|0.049295|0.084141|0.089322|0.140849|0.170762|0.207519|0.140524|0.142400|0.122541|0.500000| |2.261476|2.293500|2.594161|2.342965|2.024816|2.731197|1.766642|1.709945|1.622262|1.779301|2.415660|3.828003|2.925591|19.493603|3.426920|3.199533|3.677744|6.613224|5.540172|5.913051|8.804443|6.909660|6.998568|17.549719|4.332001|2.600309|4.165974|3.296245|2.586742|4.120196|2.044956|3.335680|0.057979|0.059344|0.070532|0.083911|0.048424|0.045803|0.047809|0.043498|0.044168|0.047024|0.046438|0.049864|0.085109|0.090481|0.140823|0.207247|0.170773|0.172597|0.212487|0.142070|0.300964|0.500000| |2.331749|2.441155|2.830088|2.611729|2.219147|2.931541|1.872185|1.824076|1.708478|1.950727|2.769575|4.379498|3.457442|23.476764|4.276158|3.921627|4.444813|7.945235|6.936957|7.497175|8.734333|5.486281|6.891023|17.540365|4.998452|2.975184|4.647743|3.828514|3.076623|4.858823|2.332065|3.644462|0.058820|0.061502|0.071614|0.091328|0.050460|0.048603|0.051796|0.045953|0.045875|0.051613|0.050148|0.055328|0.096458|0.111393|0.122378|0.140823|0.140849|0.205714|0.171004|0.140463|0.301088|0.301550|0.500000| |1.396714|1.528740|1.710515|1.813310|1.642084|2.039624|1.353190|1.296368|1.198536|1.610129|2.096291|3.848030|2.337759|21.142965|3.292272|4.252156|4.086159|4.367567|2.777035|3.787979|2.297111|2.200343|2.036888|2.200027|6.737468|7.711103|15.099096|12.510417|5.756279|9.159535|17.737101|3.972505|0.037087|0.036991|0.039600|0.049194|0.035950|0.037405|0.037306|0.032280|0.032090|0.042331|0.042728|0.048388|0.062626|0.062631|0.061287|0.054501|0.064944|0.056471|0.051256|0.056477|0.064934|0.054495|0.061271|0.500000| |1.502333|1.667320|1.879019|2.031100|1.833547|2.243461|1.479714|1.421453|1.303306|1.812546|2.400347|4.495857|2.658091|25.165219|3.708279|4.695820|4.071281|4.337514|2.868723|4.091131|2.340163|2.169842|2.119497|2.234851|6.020612|6.048273|9.770963|12.400935|7.082218|12.913583|17.639873|3.440927|0.039624|0.039868|0.042327|0.053582|0.038919|0.040995|0.041287|0.035126|0.034633|0.047682|0.047589|0.055261|0.069114|0.070998|0.060440|0.053786|0.062557|0.059996|0.052822|0.058844|0.064613|0.055077|0.063676|0.299212|0.500000| |1.502644|1.667389|1.879384|2.031361|1.833410|2.243391|1.478619|1.401387|1.284097|1.812270|2.401318|4.498939|2.659154|25.181560|3.709906|4.697580|4.071446|4.337627|2.869139|4.092311|2.340381|2.234816|2.119885|2.169957|6.019056|6.044931|9.762236|12.402154|7.087675|12.930955|17.640562|3.439736|0.039986|0.039538|0.042329|0.053607|0.039126|0.041150|0.040347|0.034378|0.034342|0.047116|0.048210|0.055180|0.071011|0.069149|0.063677|0.055076|0.064605|0.058858|0.052829|0.060010|0.062556|0.053788|0.060446|0.299203|0.301586|0.500000| |1.606172|1.705257|1.927567|1.909540|1.681226|2.164310|1.419279|1.368067|1.282176|1.561515|2.117465|3.593746|2.529560|20.349448|3.828048|4.700249|6.965881|9.778934|4.895766|5.288313|4.194169|4.034807|3.163070|4.504388|12.377819|6.040181|9.800008|6.017965|4.011499|5.714283|3.438810|17.642666|0.042117|0.042395|0.047273|0.058392|0.038272|0.038094|0.038898|0.034550|0.034601|0.041159|0.041072|0.045368|0.070508|0.072519|0.099773|0.096487|0.134741|0.084127|0.079985|0.081044|0.159861|0.104575|0.116709|0.096505|0.087727|0.084209|0.500000| |1.457301|1.551494|1.739004|1.748903|1.558521|1.996526|1.319266|1.266755|1.187116|1.469627|1.948274|3.371490|2.274509|18.750597|3.361117|4.268724|5.750063|6.947436|3.770121|4.396422|3.223463|3.249402|2.582264|3.248593|12.554975|7.750683|15.271183|6.768428|4.048881|5.775041|3.984250|17.740367|0.038577|0.038463|0.042449|0.051866|0.035596|0.035737|0.035987|0.031968|0.032092|0.038689|0.038973|0.042912|0.063475|0.063488|0.085190|0.078997|0.106190|0.068665|0.065830|0.068673|0.106155|0.078983|0.085156|0.118861|0.096789|0.096743|0.299518|0.500000| 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