Version2.2 2021-02-21T14:00:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 07-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(cc(c1)F)CCn2cnc3c(c2=O)c4c(s3)C[C@@H](CC4)[NH+]5CCSCC5 C15000355 RHF 6-31G(d) (6D,7F) c1cc(cc(c1)F)CCn2cnc3c(c2=O)c4c(s3)C[C@@H](CC4)[NH+]5CCSCC5 C01[X(C22H25F1N3O1S2)] 156 C1 493 Fc1cccc(c1)CCn1cnc2c(c1=O)c1CC[C@H](Cc1s2)[NH+]1CCSCC1 Fc1cccc(c1)CCn1cnc2c(c1=O)c1CC[C@H](Cc1s2)[NH+]1CCSCC1 Fc1cccc(CCN2C=Nc3sc4C[C@@H](CCc4c3C2=O)[NH+]5CCSCC5)c1 InChIKey=GUCJCHZNSLNUDC-QGZVFWFLSA-O InChI=1S/C22H24FN3OS2/c23-16-3-1-2-15(12-16)6-7-26-14-24-21-20(22(26)27)18-5-4-17(13-19(18)29-21)25-8-10-28-11-9-25/h1-3,12,14,17H,4-11,13H2/p+1/t17-/m1/s1 InChI=1/C22H24FN3OS2/c23-16-3-1-2-15(12-16)6-7-26-14-24-21-20(22(26)27)18-5-4-17(13-19(18)29-21)25-8-10-28-11-9-25/h1-3,12,14,17H,4-11,13H2/p+1/t17-/m1/s1/fC22H25FN3OS2/h25H/q+1 c1cc(cc(c1)F)CCn2cnc3c(c2=O)c4c(s3)C[C@@H](CC4)[NH+]5CCSCC5 C01[X(C22H25F1N3O1S2)] 156 C01 493 Fc1cccc(c1)CCn1cnc2c(c1=O)c1CC[C@H](Cc1s2)[NH+]1CCSCC1 F[C]1[CH][CH][CH][C]([CH]1)CCN1C=[N][C]2[C]([C]3=C(S2)C[C@@H](CC3)[NH]2CCSCC2)C1=O F[C]1[CH][CH][CH][C]([CH]1)CCN2C=N[C]3SC4=C(CC[C@H](C4)[NH]5CCSCC5)[C]3C2=O InChIKey=XBVSSZBHLPTNCV-QGZVFWFLSA-N InChI=1S/C22H25FN3OS2/c23-16-3-1-2-15(12-16)6-7-26-14-24-21-20(22(26)27)18-5-4-17(13-19(18)29-21)25-8-10-28-11-9-25/h1-3,12,14,17,25H,4-11,13H2/t17-/m1/s1 InChI=1/C22H25FN3OS2/c23-16-3-1-2-15(12-16)6-7-26-14-24-21-20(22(26)27)18-5-4-17(13-19(18)29-21)25-8-10-28-11-9-25/h1-3,12,14,17,25H,4-11,13H2/t17-/m1/s1 2910.7176754756 -1980.1578361 1-A 24754.9351 113 380 493 |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| -92.07904 -92.07367 -26.35948 -20.62232 -15.85610 -15.72184 -15.66081 -11.45462 -11.45111 -11.44999 -11.44972 -11.43174 -11.41328 -11.41326 -11.41209 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0.5229 0.3394 0.4481 0.3122 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 9 6 6 7 6 7 6 6 6 8 6 6 16 6 6 1 6 6 7 1 6 6 16 6 6 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 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 31.97207 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 31.97207 12.00000 12.00000 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 4800.2055 41844.8566 45533.5850 0.99995 0.00939 0.00195 -0.00938 0.99994 -0.00486 -0.00199 0.00484 0.99999 1 0.01804 0.00207 0.00190 0.37597 0.04313 0.03964 22.99 26.42 30.13 61.43 67.59 76.32 99.67 131.53 151.18 176.97 210.44 239.66 242.34 277.10 322.29 361.46 381.52 386.71 394.98 439.03 452.13 484.74 503.83 542.52 546.44 569.59 587.89 645.29 667.35 683.84 699.10 705.38 733.86 753.36 786.29 810.15 813.39 851.25 888.17 921.05 962.94 991.07 1005.80 1044.77 1056.93 1059.81 1106.55 1112.24 1140.26 1201.69 1208.59 1212.28 1262.01 1265.13 1274.23 1288.00 1311.14 1375.29 1433.09 1449.23 1458.39 1461.07 1492.05 1519.53 1522.15 1535.22 1549.14 1556.70 1571.81 1592.02 1596.80 1598.61 1613.16 1616.86 1623.65 1656.27 1665.13 1672.41 1714.06 1738.92 1751.40 1756.75 1807.83 1813.50 1828.87 1839.55 1857.37 1915.44 1940.97 1945.20 1966.34 1976.38 2004.72 2023.65 2035.10 2053.79 2068.18 2082.72 2097.24 2100.31 2110.48 2122.10 2151.63 2157.45 2177.45 2185.23 2188.67 2228.23 2229.15 2243.64 2246.80 2279.66 2287.73 2313.17 2324.63 2325.93 2334.87 2339.46 2351.88 2354.81 2356.48 2370.03 2372.25 2388.57 2400.32 2429.86 2559.49 2587.35 2603.97 2617.84 2781.43 4614.76 4631.71 4638.57 4645.61 4651.17 4651.83 4682.00 4689.62 4704.34 4710.12 4724.23 4727.24 4750.02 4758.59 4758.83 4762.93 4818.93 4824.55 4833.65 4846.78 4866.98 4870.10 4901.58 4908.68 5294.31 0.481060 0.504715 0.505659 0.423901 -1979.676776 -1979.653121 -1979.652177 -1979.733935 2.742177D-04 MUNgauss RevisionA2.1 retrievium 21-Feb-2021 DUDE c1cc(cc(c1)F)CCn2cnc3c(c2=O)c4c(s3)C[C@@H](CC4)[NH+]5CCSCC5 C15000355 RHF 6-31G(d) (6D,10F) C1 430.142309 |X|Y|Z| 148.083285 48.489470 21.790432 53.885647 27 6 7 16 22 3 2 |36.858105| |13.735490|36.858105| |7.905680|13.715781|36.858105| |6.879252|7.949265|13.699238|36.858105| |8.041779|6.953901|7.978534|13.835193|36.858105| |13.768851|7.914618|6.812528|7.887335|13.815804|36.858105| |5.320196|4.683650|5.302172|8.189604|14.346037|8.169849|97.533100| |5.008983|7.536067|12.587372|7.581122|5.046838|4.420517|8.858235|36.858105| |4.149840|5.602759|7.585366|5.841798|4.259386|3.773526|7.898360|12.437800|36.858105| |3.186986|4.048462|4.979300|4.171949|3.254199|2.938293|6.355822|7.636326|12.938373|53.358707| |2.893934|3.617572|4.075393|3.381529|2.775976|2.609542|5.451872|5.678187|7.775814|19.140374|36.858105| |2.433462|2.934390|3.236505|2.793617|2.356315|2.226383|4.735441|4.239477|5.197439|11.031358|14.898365|53.358707| |2.236082|2.650281|2.994703|2.682857|2.259099|2.095673|4.626718|3.884283|4.630109|9.808766|8.607982|19.129553|36.858105| |2.326119|2.755135|3.238259|2.979534|2.459480|2.222665|5.080100|4.261913|5.102704|10.954221|7.108834|10.713865|13.979083|36.858105| |2.773488|3.371716|4.194528|3.830220|3.016628|2.657055|6.120317|5.915264|7.752346|18.577899|7.917771|9.074267|7.877089|13.163315|36.858105| |2.837651|3.387182|4.377954|4.281944|3.306963|2.807000|6.841847|5.837562|6.993536|11.437970|5.445950|6.390254|5.370006|8.064571|15.848573|73.516695| |2.022948|2.330916|2.702164|2.574796|2.177766|1.966349|4.608702|3.357616|3.779539|6.892483|4.641353|7.110358|8.136275|13.197904|7.326743|11.108362|36.858105| |1.820832|2.077739|2.341464|2.214220|1.912096|1.758018|4.052410|2.844346|3.156085|5.591121|4.123986|6.814180|7.709167|8.264307|5.143700|7.807780|14.179908|36.858105| |1.863115|2.145353|2.364911|2.171817|1.882683|1.763417|3.928242|2.896782|3.260260|5.932091|4.954207|9.570057|11.003330|7.407538|4.826196|6.864891|7.358576|10.890811|388.023441| |1.602758|1.796379|1.999131|1.921281|1.690474|1.560987|3.632195|2.349862|2.543054|4.236771|3.112076|4.934045|4.823665|5.063237|3.735846|6.084686|7.514122|12.645708|47.663412|36.858105| |1.575423|1.749095|1.963980|1.929606|1.703770|1.556583|3.712009|2.272452|2.452188|3.965746|2.791111|4.203539|3.953530|4.510181|3.582448|6.194998|6.797349|7.773644|33.049347|12.455019|36.858105| |1.579265|1.747886|1.962838|1.937934|1.715431|1.565253|3.748540|2.256634|2.486620|4.007082|2.807795|4.196105|3.907099|4.471132|3.611739|6.272160|6.438402|6.936545|31.679646|8.902644|17.598155|0.500000| |1.706789|1.902822|2.175948|2.161358|1.885972|1.698487|4.122034|2.535819|2.685716|4.308793|2.907106|4.230228|3.964105|4.910385|4.068684|7.403207|7.616295|6.766210|29.751179|7.536920|12.454335|0.247850|36.858105| |1.958215|2.218459|2.598663|2.571799|2.188802|1.944971|4.733979|3.120078|3.401780|5.661751|3.630533|5.170621|5.039948|7.265224|5.930268|11.023694|12.639564|7.599191|33.478167|6.264004|7.609543|0.199121|12.418665|36.858105| |1.406458|1.541730|1.709567|1.691658|1.517550|1.395686|3.335356|1.935543|2.053570|3.217266|2.286328|3.400609|3.033828|3.318716|2.791787|4.906288|4.417831|4.962240|25.242304|7.473144|12.466713|0.255740|7.548260|4.940303|53.358707| |1.396671|1.522857|1.694217|1.695257|1.525833|1.396447|3.380489|1.900851|2.011418|3.104475|2.172851|3.171623|2.791098|3.113309|2.702720|4.866138|4.062099|4.258503|22.201143|5.663034|9.398639|0.228694|7.404100|4.855946|25.691311|0.500000| |1.310616|1.428894|1.566661|1.545626|1.399067|1.297622|3.075020|1.757562|1.882603|2.931079|2.121782|3.176466|2.771841|2.916846|2.473602|4.290090|3.671101|4.240422|23.554187|6.076165|7.557849|0.205609|4.944047|3.831427|17.207528|0.260401|36.858105| |1.197773|1.293658|1.409103|1.399660|1.280387|1.191433|2.834235|1.557787|1.650407|2.516247|1.817308|2.678376|2.272207|2.382572|2.089347|3.673544|2.876918|3.184867|18.678485|4.151300|4.936933|0.135015|3.828833|3.056836|10.345529|0.203165|12.519149|36.858105| |1.141787|1.231116|1.334232|1.321842|1.213049|1.133531|2.682910|1.471257|1.532360|2.322188|1.684895|2.480184|2.081577|2.162386|1.909689|3.355854|2.571079|2.846981|17.108877|3.660673|4.062613|0.103537|3.399033|2.708210|8.076188|0.154555|6.856234|10.533670|388.023441| |1.234302|1.336888|1.462423|1.452935|1.323810|1.228003|2.928783|1.623501|1.674519|2.546237|1.822553|2.669562|2.272958|2.418547|2.132113|3.786711|2.951402|3.207685|18.429006|4.175373|4.901922|0.115941|4.349406|3.229250|10.364546|0.203753|6.330796|7.050223|74.908882|36.858105| |1.354906|1.482925|1.634700|1.612087|1.451417|1.341275|3.186375|1.845530|1.915492|2.974618|2.129380|3.162917|2.772987|2.977736|2.539130|4.457095|3.815530|4.289823|23.098830|6.145176|7.430781|0.154633|6.108212|4.154621|17.208895|0.260499|7.621595|6.319940|48.733179|12.513178|36.858105| |17.725384|8.919513|5.634811|4.955889|5.693441|8.945285|9.620601|4.086094|3.522740|3.839240|2.643460|3.074820|2.063004|2.112365|2.459474|4.409386|1.850808|1.688466|12.400621|1.496629|1.464428|0.040757|1.571972|1.782859|1.791333|0.036231|1.233818|1.131785|7.695828|1.163692|1.272066|0.500000| |8.927095|17.706867|8.902836|5.646037|4.993117|5.642133|8.333936|6.972755|5.400048|5.578003|3.859489|4.246127|2.740735|2.769909|3.313907|5.703180|2.322541|2.098349|15.756074|1.807284|1.735602|0.048030|1.869369|2.167423|2.081729|0.041689|1.423207|1.285719|8.724972|1.327707|1.476089|0.215768|0.500000| |4.956157|5.631289|8.833097|17.721251|8.982151|5.643223|16.818786|6.970539|5.757585|5.866867|3.378978|3.848357|2.795204|3.208291|4.210032|8.940315|2.804795|2.364185|16.081546|2.050079|2.088832|0.058339|2.380970|2.874665|2.477979|0.050994|1.648057|1.488808|9.957807|1.550880|1.726087|0.107589|0.123626|0.500000| |8.840243|5.617671|4.923135|5.639090|8.953557|17.746299|16.702347|3.539241|3.131866|3.443577|2.283864|2.699847|1.877390|1.981300|2.322336|4.354702|1.777840|1.603623|11.419297|1.439104|1.439827|0.040265|1.563075|1.768356|1.772534|0.036276|1.216207|1.123695|7.616236|1.155812|1.253783|0.213080|0.123713|0.124691|0.500000| |4.230242|5.702015|8.894213|7.102775|4.731740|3.973457|8.750142|17.589623|8.896702|9.595810|5.102241|5.512619|3.946323|4.570396|6.470887|12.338770|3.674746|3.032148|21.147090|2.504632|2.449828|0.066886|2.812080|3.507922|2.823645|0.056805|1.853910|1.640001|11.046071|1.737465|1.985877|0.097490|0.144862|0.208873|0.090558|0.500000| |4.734784|7.185039|8.888104|5.645326|4.223297|3.967912|7.558497|17.547250|8.855988|9.441710|5.964002|6.100225|3.939365|4.087999|5.229652|8.565037|3.220639|2.808038|21.021695|2.320519|2.198683|0.060099|2.421161|2.915500|2.562408|0.050918|1.716578|1.521937|10.305108|1.594747|1.814257|0.112440|0.216948|0.141963|0.090307|0.302664|0.500000| |4.345784|5.861541|6.853558|5.165549|4.055003|3.797920|7.459340|8.799281|17.612430|12.498723|7.534189|6.832126|4.203609|4.311029|5.764223|9.103698|3.285630|2.854849|21.696126|2.334973|2.232171|0.063221|2.386417|2.934471|2.578050|0.051397|1.763578|1.554609|10.269114|1.558959|1.769205|0.104753|0.165362|0.133105|0.088126|0.173857|0.212602|0.500000| |3.985509|5.019276|6.946511|6.306326|4.556280|3.844651|8.690275|8.816901|17.675711|12.536357|5.899404|5.962244|4.157707|4.814345|7.406331|13.872497|3.728906|3.061335|21.624218|2.503065|2.478305|0.070761|2.737409|3.507296|2.827627|0.057153|1.902905|1.673110|10.952310|1.683401|1.916454|0.093106|0.126831|0.185783|0.089204|0.211654|0.173623|0.302790|0.500000| |3.119610|3.948459|4.224916|3.391995|2.831311|2.733865|5.475408|5.620742|7.415081|12.605907|17.739889|12.818302|5.947826|5.076315|5.702162|7.835041|3.678989|3.370439|28.654944|2.665880|2.414731|0.067581|2.498731|3.021466|2.760532|0.053795|1.904015|1.654322|10.975676|1.655449|1.905540|0.080118|0.121847|0.090943|0.066324|0.131164|0.172639|0.238316|0.152552|0.500000| |1.558405|1.744402|1.930217|1.849536|1.632921|1.514274|3.505857|2.262192|2.388994|3.925647|2.903765|4.580155|4.324199|4.435872|3.390522|5.562301|6.079978|8.913645|42.097255|17.546232|8.777918|0.173843|6.637076|5.304538|9.334514|0.144692|5.447128|3.978141|27.019002|4.501814|6.919004|0.040549|0.048924|0.054579|0.038841|0.067286|0.062780|0.061029|0.064667|0.069973|0.500000| |1.515724|1.689200|1.858188|1.782795|1.583135|1.473301|3.404041|2.159359|2.356960|3.885567|2.921094|4.678129|4.400386|4.347787|3.304018|5.352452|5.749777|8.916698|45.757837|17.565847|8.790503|0.218052|5.494502|4.833751|9.137693|0.141950|6.655532|4.397262|26.716639|3.957220|5.439453|0.039549|0.047397|0.052406|0.037892|0.062903|0.059478|0.061170|0.064440|0.070578|0.302752|0.500000| |1.696490|1.894854|2.158454|2.129579|1.858953|1.681188|4.047485|2.522622|2.600767|4.151964|2.831031|4.131229|3.822939|4.594875|3.838449|6.910807|6.666547|6.247825|29.000419|6.997142|8.819204|0.174306|17.567972|8.872174|9.004675|0.172927|4.419691|3.557925|24.011571|4.516166|6.516280|0.043491|0.051931|0.064802|0.042968|0.078384|0.067808|0.064190|0.072416|0.067993|0.200246|0.140730|0.500000| |1.644837|1.813052|2.071400|2.094114|1.845515|1.654885|4.088553|2.362851|2.484232|3.857009|2.577860|3.668405|3.303004|4.023509|3.566223|6.750508|5.557081|4.938214|24.186306|5.486448|8.782238|0.209250|17.519893|8.838071|9.705468|0.230646|4.743972|3.898496|24.393281|4.463346|5.761213|0.042076|0.049080|0.064510|0.042542|0.072782|0.062108|0.061567|0.071456|0.062606|0.138954|0.122861|0.301857|0.500000| |1.956042|2.197096|2.577284|2.593235|2.219771|1.961209|4.847903|3.033294|3.402599|5.516542|3.485440|4.851511|4.546439|6.353343|5.682272|11.111458|8.929422|6.081722|29.594312|5.229088|6.605662|0.201747|8.787358|17.545471|6.221792|0.129987|3.725415|3.011651|18.416815|2.997855|3.698113|0.049382|0.059127|0.081127|0.049671|0.093188|0.077335|0.082057|0.100892|0.081531|0.120807|0.121196|0.174296|0.219686|0.500000| |2.098953|2.389330|2.852761|2.851999|2.392141|2.096561|5.174750|3.451103|3.630141|5.878335|3.625851|4.966235|4.628099|6.688935|6.265000|12.869117|8.913667|5.806477|29.074230|4.862987|5.548705|0.143148|8.843421|17.625766|5.560984|0.113874|3.227215|2.687765|17.473228|2.955535|3.676474|0.052622|0.064218|0.090241|0.052640|0.112105|0.088353|0.084901|0.104313|0.084432|0.123786|0.108193|0.221364|0.207201|0.305987|0.500000| |1.301545|1.423243|1.551825|1.516768|1.372261|1.280116|2.997547|1.748699|1.872415|2.938010|2.164916|3.295378|2.874288|2.933902|2.448973|4.168558|3.644082|4.438304|25.548908|6.626986|6.741966|0.175302|4.465305|3.593841|12.347379|0.182187|17.662061|8.825863|45.650986|5.671973|7.056218|0.034142|0.039634|0.044622|0.033300|0.050969|0.047877|0.048986|0.052016|0.054024|0.170494|0.225779|0.115563|0.113636|0.095004|0.084735|0.500000| |1.341020|1.461654|1.605641|1.587590|1.436377|1.329808|3.159766|1.799531|1.955009|3.047387|2.198684|3.281779|2.865594|3.032058|2.577666|4.472219|3.794277|4.300739|23.975682|5.764534|7.332922|0.241660|4.821154|3.954258|12.386694|0.222116|17.618690|8.848857|36.275027|4.779293|5.593861|0.035019|0.040356|0.047093|0.034607|0.052471|0.048516|0.050977|0.055313|0.054703|0.133873|0.179775|0.114176|0.129617|0.111464|0.090913|0.300603|0.500000| |1.148074|1.236526|1.338875|1.327288|1.219623|1.140285|2.698310|1.473587|1.567413|2.380934|1.733931|2.558722|2.144135|2.214088|1.951172|3.410225|2.613160|2.903668|17.659039|3.667213|4.116850|0.116534|3.244410|2.711601|7.567768|0.147340|8.962035|17.605576|57.282345|5.195069|4.779741|0.030235|0.034212|0.039021|0.029943|0.042765|0.040079|0.041331|0.044096|0.044130|0.096973|0.111839|0.083948|0.090680|0.075041|0.066626|0.213971|0.214816|0.500000| |1.196269|1.287177|1.406167|1.408208|1.291319|1.196958|2.876047|1.545329|1.635771|2.471397|1.764394|2.567905|2.169101|2.310653|2.060530|3.676485|2.778366|2.971359|17.329488|3.721134|4.644119|0.130823|3.807976|3.048724|9.324699|0.214994|8.818866|17.552954|56.125310|6.424312|5.559723|0.031341|0.035353|0.041796|0.031411|0.045311|0.041662|0.042695|0.046440|0.044682|0.097946|0.105832|0.096639|0.112973|0.085118|0.075050|0.173062|0.213450|0.303623|0.500000| |1.203339|1.301507|1.417842|1.405748|1.284271|1.195385|2.838835|1.569855|1.602133|2.423322|1.741056|2.544931|2.144344|2.262271|2.009956|3.564726|2.707277|2.931338|17.299917|3.692810|4.080614|0.096873|3.799959|2.918660|7.576236|0.147683|4.783502|5.195351|57.304315|17.605657|8.963322|0.031587|0.035976|0.041528|0.031295|0.046692|0.043077|0.041500|0.044498|0.044164|0.114485|0.096887|0.114190|0.106800|0.074556|0.075982|0.127348|0.105833|0.116484|0.132986|0.500000| |1.234519|1.331923|1.461871|1.465297|1.338187|1.235952|2.980049|1.612732|1.660702|2.501754|1.769877|2.560511|2.170483|2.345719|2.104031|3.796331|2.849536|2.991986|17.126942|3.741151|4.617154|0.112726|4.348754|3.229386|9.349287|0.216013|5.574353|6.427467|56.116485|17.552329|8.812758|0.032264|0.036541|0.043670|0.032367|0.048110|0.043693|0.042827|0.046750|0.044723|0.108183|0.097314|0.122637|0.132247|0.084741|0.083034|0.131312|0.125212|0.132990|0.187869|0.303661|0.500000| |1.422588|1.561613|1.733149|1.712877|1.534188|1.410539|3.367971|1.965310|2.016142|3.127770|2.211227|3.254732|2.865229|3.145437|2.702550|4.798065|4.066940|4.382129|23.174752|5.855847|7.120758|0.144846|7.139096|4.604406|12.356015|0.221562|5.589664|4.771436|36.300287|8.861453|17.659553|0.036961|0.043056|0.051220|0.036528|0.059465|0.053577|0.051234|0.055989|0.054747|0.188626|0.134467|0.242258|0.186367|0.109665|0.116543|0.144952|0.126691|0.105743|0.124819|0.215562|0.213239|0.500000| 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