Version2.0 2020-07-16T22:39:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc(c(c1)[C@H]2C(=C(NC(=O)N2)CSc3[nH]c4cc(ccc4n3)C)C(=O)OCC)OCC C01425289 RHF 6-31G(d) (6D,7F) CCOc1ccc(c(c1)[C@H]2C(=C(NC(=O)N2)CSc3[nH]c4cc(ccc4n3)C)C(=O)OCC)OCC C01[X(C26H30N4O5S1)] 192 C1 604 CCOC(=O)C1=C(CSc2nc3c([nH]2)cc(cc3)C)NC(=O)N[C@H]1c1cc(OCC)ccc1OCC CCOC(=O)C1=C(CSc2nc3c([nH]2)cc(cc3)C)NC(=O)N[C@H]1c1cc(OCC)ccc1OCC CCOC(=O)C1=C(CSc2[nH]c3cc(C)ccc3n2)NC(=O)N[C@H]1c4cc(OCC)ccc4OCC InChIKey=JNYDGMPKXHHFMY-QHCPKHFHSA-N InChI=1S/C26H30N4O5S/c1-5-33-16-9-11-21(34-6-2)17(13-16)23-22(24(31)35-7-3)20(27-25(32)30-23)14-36-26-28-18-10-8-15(4)12-19(18)29-26/h8-13,23H,5-7,14H2,1-4H3,(H,28,29)(H2,27,30,32)/t23-/m0/s1 InChI=1/C26H30N4O5S/c1-5-33-16-9-11-21(34-6-2)17(13-16)23-22(24(31)35-7-3)20(27-25(32)30-23)14-36-26-28-18-10-8-15(4)12-19(18)29-26/h8-13,23H,5-7,14H2,1-4H3,(H,28,29)(H2,27,30,32)/t23-/m0/s1/f/h27,29-30H CCOc1ccc(c(c1)[C@H]2C(=C(NC(=O)N2)CSc3[nH]c4cc(ccc4n3)C)C(=O)OCC)OCC C01[X(C26H30N4O5S1)] 192 C01 604 CCOC(=O)C1=C(CSc2nc3c([nH]2)cc(cc3)C)NC(=O)N[C@H]1c1cc(OCC)ccc1OCC CCOC(=O)C1=C(CS[C]2[N][C]3[C]([CH][C]([CH][CH]3)C)N2)NC(=O)N[C@H]1[C]1[CH][C]([CH][CH][C]1OCC)OCC CCO[C]1[CH][CH][C](OCC)[C]([CH]1)[C@@H]2NC(=O)NC(=C2C(=O)OCC)CS[C]3[N][C]4[CH][CH][C](C)[CH][C]4N3 InChIKey=JNYDGMPKXHHFMY-QHCPKHFHSA-N InChI=1S/C26H30N4O5S/c1-5-33-16-9-11-21(34-6-2)17(13-16)23-22(24(31)35-7-3)20(27-25(32)30-23)14-36-26-28-18-10-8-15(4)12-19(18)29-26/h8-13,23H,5-7,14H2,1-4H3,(H,28,29)(H2,27,30,32)/t23-/m0/s1 InChI=1/C26H30N4O5S/c1-5-33-16-9-11-21(34-6-2)17(13-16)23-22(24(31)35-7-3)20(27-25(32)30-23)14-36-26-28-18-10-8-15(4)12-19(18)29-26/h8-13,23H,5-7,14H2,1-4H3,(H,28,29)(H2,27,30,32)/t23-/m0/s1/f/h27,29-30H 4110.8229069166 -1991.7153726 1-A 21918.9520 135 469 604 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 8.6023 15.5890 24.9534 28.2283 32.8802 35.7565 39.4312 54.5231 62.1278 64.1576 72.8044 77.3201 88.5235 98.1339 101.7075 110.4184 112.7711 117.7898 128.5618 140.9301 160.5486 173.0623 183.1117 203.8114 212.1386 240.9840 252.3996 276.8054 281.1070 286.5267 297.7612 299.2416 301.9623 322.4234 338.5786 359.0757 389.8150 396.6697 400.1551 414.7903 421.9743 430.1708 435.8845 441.2690 451.6524 484.3146 486.1713 509.2441 548.5201 567.2091 571.0937 580.8857 634.9193 640.9131 654.3375 664.7175 669.2592 687.4157 706.4464 724.5719 737.6520 760.8893 779.2049 799.1611 822.4810 830.0278 833.3904 839.3352 861.1594 864.8915 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5453.06 5575.20 5624.86 0.577168 0.610669 0.611613 0.506344 -1991.138204 -1991.104704 -1991.103760 -1991.209029 3.530740D-04 MUNgauss RevisionA2.0 retrievium 16-Jul-2020 DUDE CCOc1ccc(c(c1)[C@H]2C(=C(NC(=O)N2)CSc3[nH]c4cc(ccc4n3)C)C(=O)OCC)OCC C01425289 RHF 6-31G(d) (6D,10F) C1 510.193692 |X|Y|Z| 116.075766 62.932511 66.969128 78.794715 23 6 7 16 18 4 1 |36.858105| |12.570962|36.858105| |8.085059|13.583126|73.516695| |5.227836|7.991051|25.021294|36.858105| |4.399497|6.697665|13.982093|13.863948|36.858105| |3.332418|4.492455|9.218785|7.944529|13.626076|36.858105| |2.974093|3.780737|8.198641|6.849883|7.909531|13.869816|36.858105| |3.194710|3.969443|9.389128|7.872770|6.826064|7.910159|13.537894|36.858105| |4.084667|5.247957|14.553424|13.623989|7.963590|6.922611|7.967806|13.874080|36.858105| |2.644643|3.083920|6.935557|4.952412|4.407556|5.023250|7.556223|12.433597|7.446997|36.858105| |2.412357|2.799157|6.084436|4.275008|4.021220|4.759094|7.105500|8.999597|5.805225|17.679827|0.500000| |2.653842|2.966730|6.730415|4.401100|3.687534|3.839954|4.961623|7.436507|6.487526|12.565862|0.250628|36.858105| |2.568349|2.790803|6.230904|3.871742|3.239053|3.286827|4.026130|5.559730|5.334724|7.737641|0.163248|14.205310|36.858105| |2.479517|2.711832|5.937846|3.723039|3.204668|3.298152|4.023029|5.272742|4.919919|6.903145|0.144457|8.108497|13.856035|53.358707| |2.366353|2.655515|5.713389|3.743295|3.391142|3.678105|4.670399|5.784294|4.845197|7.707702|0.161506|6.712012|7.819645|18.794849|36.858105| |2.197599|2.445586|5.097458|3.271370|3.059534|3.314423|4.001552|4.526809|3.948026|5.340744|0.123031|4.719584|5.417206|11.522988|15.881833|73.516695| |2.379701|2.734130|5.917413|4.072437|3.790526|4.369535|6.156334|7.714968|5.454948|13.072533|0.258715|7.859499|7.035668|11.322813|14.088022|14.978019|53.358707| |2.416569|2.520228|5.467700|3.199655|2.694933|2.664151|3.092299|3.966750|4.061683|4.866764|0.115287|7.455671|12.614223|10.773408|5.134569|7.333912|6.206735|36.858105| |2.786599|2.785717|6.047029|3.303313|2.700111|2.546136|2.815304|3.544009|3.983652|3.838423|0.091601|5.168814|6.798547|7.489519|3.969719|6.046155|4.827824|10.443175|388.023441| |2.592146|2.574113|5.404429|2.950841|2.481609|2.352012|2.564903|3.108525|3.418848|3.314258|0.079135|4.033368|5.364802|7.333910|3.966823|6.442996|4.513174|6.890953|76.989084|36.858105| |2.596710|2.495009|5.075389|2.685781|2.283898|2.133746|2.265728|2.665992|2.969856|2.742716|0.066856|3.194978|3.922094|5.402719|3.178936|5.343535|3.722453|4.693380|50.144166|14.022353|53.358707| |2.699009|2.528105|5.087977|2.631562|2.231178|2.061025|2.163208|2.530729|2.858813|2.564219|0.063183|2.984140|3.531440|4.698639|2.826856|4.722262|3.406810|4.208869|46.661713|9.060164|26.091790|0.500000| |2.339646|2.269929|4.520697|2.429750|2.118796|2.002773|2.118270|2.435917|2.648933|2.508309|0.061551|2.815509|3.422554|5.002497|3.061456|5.369119|3.521880|3.884775|34.946852|8.667060|18.753301|0.247651|36.858105| |2.171245|2.080030|4.028329|2.150372|1.909997|1.803221|1.878335|2.110049|2.283293|2.142469|0.053379|2.345228|2.746734|4.000819|2.563873|4.584628|3.012095|3.028754|26.083347|5.334855|10.218711|0.180347|13.716032|36.858105| |1.955834|1.901297|3.648439|1.979812|1.791041|1.712187|1.783765|1.973470|2.094696|2.012691|0.050465|2.158701|2.508722|3.743474|2.470232|4.542284|2.887604|2.696509|21.761009|4.235007|6.976128|0.124180|8.039520|13.788308|36.858105| |1.889063|1.875829|3.634653|2.013991|1.833477|1.778600|1.875324|2.073551|2.160442|2.147662|0.053672|2.285538|2.692476|4.158829|2.767861|5.223070|3.160041|2.850191|21.849825|4.285420|6.362716|0.109083|6.995856|7.896590|13.533865|36.858105| |1.993697|2.007824|3.974246|2.231863|2.011039|1.964375|2.107757|2.371840|2.453752|2.506265|0.061788|2.701579|3.297772|5.274347|3.402615|6.431570|3.745875|3.503591|26.147434|5.459961|7.371822|0.119048|7.928633|6.734600|7.812107|13.839038|36.858105| |2.226563|2.224821|4.488173|2.489188|2.186429|2.107454|2.271462|2.624957|2.778903|2.776340|0.067481|3.105159|3.919057|6.104717|3.669820|6.567019|4.037400|4.368504|35.151637|8.973352|11.824133|0.167288|13.731171|7.817055|6.852968|8.034338|13.695465|36.858105| |2.356972|2.392306|4.974945|2.802301|2.414209|2.339774|2.581890|3.087915|3.260401|3.373887|0.080288|3.962611|5.423389|8.477622|4.550436|7.678065|4.872208|6.380539|49.623319|14.839556|11.723464|0.167691|8.380292|5.295191|4.591009|5.131076|7.551818|13.718740|53.358707| |1.786596|1.724449|3.245137|1.754991|1.609680|1.538856|1.585624|1.726279|1.826265|1.744912|0.044285|1.847405|2.094704|3.084126|2.084917|3.845009|2.490425|2.224838|17.712373|3.200421|5.142397|0.097581|5.050110|7.571059|12.602170|7.553440|5.005811|4.439664|4.580742|36.858105| |2.608569|2.873399|6.404740|4.047603|3.425569|3.500818|4.296085|5.846868|5.509081|7.586322|0.203821|12.897408|7.549819|6.901202|4.427000|6.155303|6.970941|6.058331|33.241350|3.468446|3.898230|0.076761|2.491987|2.115185|1.935061|2.009827|2.316669|2.652079|4.449223|1.682140|36.858105| |2.502867|2.797437|6.089601|3.930606|3.478834|3.655545|4.494266|5.684103|5.081728|6.870439|0.218242|8.123666|5.317874|5.530352|3.830725|5.504675|6.318314|4.407267|25.859194|2.859112|3.322571|0.065994|2.165388|1.876721|1.734935|1.798350|2.041805|2.288453|3.716352|1.529404|15.965959|73.516695| |2.581942|2.734269|5.994987|3.549094|2.974227|2.929956|3.397343|4.384764|4.523719|5.144314|0.135309|8.015416|6.628638|6.113206|3.731981|5.396740|5.414758|6.765066|39.410336|3.757193|4.229426|0.084792|2.625465|2.214652|1.993615|2.042128|2.343078|2.734067|4.606572|1.729373|14.321659|15.347142|73.516695| |2.430465|2.532913|5.358348|3.101514|2.672932|2.618756|2.936406|3.560733|3.690145|3.929194|0.109133|5.163028|4.431859|4.576144|2.937464|4.416847|4.286695|4.632283|30.073621|3.058213|3.618379|0.074257|2.273077|1.966312|1.776574|1.799177|2.020326|2.318265|3.752532|1.567579|8.105867|12.929513|23.740729|36.858105| |2.320450|2.334593|4.827115|2.690131|2.323394|2.240008|2.450161|2.909033|3.089244|3.142228|0.085312|4.022536|3.814537|4.088427|2.585892|3.984185|3.625415|4.377656|31.135673|3.134039|3.795556|0.079659|2.347225|2.037519|1.819283|1.817030|2.022006|2.340496|3.743362|1.608687|5.265207|8.259600|14.274868|12.581720|36.858105| |2.453646|2.982308|6.174546|4.603658|5.175688|7.882431|14.015491|8.136005|5.294700|7.006540|0.212214|4.524312|3.718872|5.152166|4.618872|7.213775|8.825027|2.882476|18.033618|2.342209|2.812504|0.054523|1.958487|1.746767|1.679636|1.784240|2.005958|2.125235|3.271558|1.499998|3.936712|7.498184|5.527740|2.719849|2.274923|73.516695| |2.230744|2.690839|5.303463|3.779530|4.490608|6.694249|7.950264|5.224362|3.983019|4.634011|0.141090|3.405585|2.920874|4.063744|3.546303|5.865102|6.140158|2.378418|15.208714|2.004695|2.455000|0.047905|1.727468|1.565739|1.517846|1.606621|1.778601|1.858211|2.799032|1.373491|3.113447|6.001898|4.565094|2.326043|1.983206|24.092471|36.858105| |1.909316|2.230603|4.362760|2.972145|3.330657|4.398976|5.214211|4.075286|3.200253|4.066280|0.128575|3.108901|2.712571|3.787577|3.318801|5.597501|5.684443|2.244091|14.072271|1.867144|2.284022|0.044443|1.619213|1.472504|1.438607|1.532859|1.696553|1.753826|2.634045|1.305985|2.865535|5.530229|4.245079|2.180651|1.870938|14.351108|12.571906|36.858105| |17.551095|8.868403|10.252855|4.237406|3.844974|2.999350|2.650785|2.768132|3.383683|2.327302|0.059790|2.314561|2.244525|2.975954|2.110835|3.531136|2.891960|2.125155|17.176105|2.284517|3.146665|0.066762|2.119264|2.001991|1.822424|1.754991|1.830103|2.014530|2.860975|1.689360|2.283892|3.941521|4.018077|2.157094|2.073825|3.967793|2.071540|1.785290|0.500000| |17.575929|8.864719|12.950703|4.878104|4.020836|3.135246|2.868621|3.137013|4.012100|2.642996|0.066055|2.685763|2.669803|3.555268|2.462230|4.091686|3.293513|2.537992|21.386917|2.870708|3.988830|0.084991|2.635614|2.448503|2.181343|2.086166|2.194283|2.470975|3.523299|1.981581|2.585441|4.323246|4.590280|2.390617|2.311951|4.242168|2.152160|1.858317|0.300372|0.500000| |17.575053|8.863403|12.953705|4.869743|4.018602|3.131023|2.862652|3.129477|4.000431|2.635875|0.067297|2.707865|2.600640|3.334155|2.304098|3.762567|3.173458|2.485474|20.629376|2.612950|3.554367|0.076444|2.309895|2.130369|1.903038|1.832594|1.940262|2.186277|3.182677|1.735218|2.738049|4.673792|4.913346|2.648991|2.550390|4.231057|2.154630|1.860404|0.300382|0.300935|0.500000| |8.848135|17.534588|16.543540|7.120256|6.797063|4.603693|3.763796|3.807565|4.799275|2.963750|0.074579|2.785158|2.655194|3.616126|2.656595|4.435135|3.690250|2.379944|18.448017|2.476498|3.281050|0.067076|2.240934|2.072921|1.918385|1.901961|2.025387|2.212435|3.193998|1.748027|2.631722|4.553733|4.409157|2.279909|2.107132|5.322167|2.739824|2.259289|0.212518|0.212179|0.173394|0.500000| |8.849251|17.532590|16.540742|7.091419|6.785369|4.589819|3.749641|3.793090|4.777587|2.953016|0.076362|2.809088|2.586533|3.383561|2.460609|4.023920|3.523041|2.335962|17.951127|2.304879|3.025771|0.062619|2.030075|1.868899|1.720735|1.703820|1.820386|2.000860|2.933275|1.571828|2.792381|4.967635|4.691740|2.499966|2.282312|5.299506|2.744682|2.262844|0.212618|0.173416|0.212110|0.301082|0.500000| |4.661899|7.382518|12.430386|8.897528|17.762629|8.940166|5.659320|4.931546|5.638414|3.531870|0.091523|3.064582|2.759894|3.736716|2.882290|4.741781|4.278386|2.368974|17.168723|2.250960|2.876635|0.057825|1.975794|1.808078|1.701139|1.728030|1.868990|2.015556|2.974261|1.546399|2.906361|5.265510|4.615197|2.387955|2.116624|7.455552|3.912522|2.985190|0.117742|0.114535|0.114653|0.224851|0.225793|0.500000| |2.981728|3.906239|7.455435|5.674209|8.950794|17.761919|8.928918|5.621616|4.981463|4.093341|0.111990|3.217147|2.810922|3.876747|3.197890|5.284499|5.094116|2.332608|15.853347|2.088665|2.608554|0.051529|1.819268|1.658072|1.588355|1.650453|1.805332|1.911107|2.846572|1.441821|2.985538|5.605577|4.523784|2.321037|2.009353|12.544764|7.436580|4.683206|0.076746|0.077684|0.077602|0.113925|0.113666|0.218566|0.500000| |4.129940|4.892745|13.591757|8.985504|5.689985|4.981252|5.643948|8.936253|17.755877|6.835429|0.146533|7.378913|6.383218|7.448289|4.863638|6.940526|6.963367|4.931919|36.044852|4.085927|4.718121|0.092893|2.985518|2.516773|2.264295|2.318537|2.659074|3.104895|5.102660|1.949107|6.232282|9.313342|9.612454|4.192569|3.545758|7.576326|3.320759|2.799323|0.093481|0.116206|0.115805|0.121176|0.120675|0.124554|0.108072|0.500000| |2.390998|2.558376|5.486264|3.318115|2.874742|2.903679|3.398664|4.235873|4.148549|5.076107|0.113482|5.872460|9.260957|25.910470|9.387663|13.843483|8.134434|7.579690|40.863957|6.523041|6.265624|0.106697|4.382867|3.391074|3.178900|3.619962|4.847824|5.759440|11.852299|2.547927|4.169521|6.070746|6.985713|3.040258|2.822819|5.702536|2.623982|2.467113|0.058902|0.071013|0.065398|0.070104|0.064675|0.069900|0.070838|0.129071|0.500000| |2.271041|2.633930|5.558190|3.862329|3.801206|4.612394|6.568413|6.917858|4.849818|9.094261|0.221847|5.713869|5.145875|8.172025|9.627359|13.851040|26.034241|3.684923|21.399682|2.875825|3.322227|0.062485|2.346843|2.046345|1.985777|2.174698|2.535059|2.668197|4.229101|1.734404|4.215496|7.183005|5.971725|2.773625|2.368456|14.026364|5.403050|5.062083|0.056965|0.063728|0.061264|0.073696|0.069947|0.088312|0.112951|0.120979|0.132834|0.500000| |2.185331|2.266331|4.798631|2.803915|2.422165|2.418007|2.784667|3.437678|3.444625|4.193300|0.101513|5.704548|8.940780|10.344775|5.036923|7.559464|5.781168|17.654063|56.853568|7.112262|6.515309|0.115042|4.155356|3.206332|2.898192|3.139100|3.976221|4.941556|10.222294|2.360252|4.672314|6.490894|8.900617|3.770675|3.670656|4.721305|2.226548|2.135120|0.054066|0.064101|0.061815|0.060343|0.058413|0.059843|0.059696|0.111231|0.231942|0.097342|0.500000| |2.289600|2.377001|5.096300|2.974921|2.536159|2.518378|2.912183|3.668881|3.716046|4.510090|0.112746|6.949797|8.888847|7.893320|4.261875|6.208203|5.519711|17.765179|57.749516|5.277726|5.394257|0.103093|3.309542|2.674105|2.393995|2.498228|2.977143|3.590080|6.545739|2.018188|6.737441|8.574960|15.330883|5.713217|5.436424|4.881696|2.290544|2.181850|0.056274|0.065834|0.066327|0.061789|0.062182|0.062319|0.061717|0.122957|0.150284|0.093108|0.301671|0.500000| |2.191204|2.059182|3.937190|2.070385|1.839783|1.722498|1.776855|1.985925|2.168050|1.994754|0.050050|2.182090|2.506107|3.565474|2.303706|4.080180|2.761939|2.765562|24.284091|4.606472|8.984303|0.181402|8.841866|17.711858|8.884433|5.608846|4.879375|5.584776|5.858147|6.963809|2.005033|3.184237|3.762530|1.907422|1.997934|2.926718|1.484320|1.392758|0.056467|0.068914|0.060014|0.056737|0.051449|0.048767|0.044116|0.066345|0.081840|0.052340|0.079684|0.069157|0.500000| |1.740785|1.737717|3.335289|1.861453|1.718456|1.680087|1.766449|1.925675|1.983234|1.993867|0.050282|2.089447|2.422024|3.747494|2.567035|4.928752|2.958205|2.521754|18.809548|3.489130|5.035620|0.089312|5.014499|5.642137|8.893088|17.703507|8.985759|5.688603|5.610519|7.076308|1.845517|2.966885|3.306932|1.652208|1.660752|3.017143|1.542823|1.482126|0.045292|0.052983|0.046779|0.049234|0.044135|0.045207|0.043671|0.058327|0.088930|0.057278|0.076923|0.062236|0.123806|0.500000| |1.896713|1.939388|3.846992|2.201677|2.006200|1.991377|2.159804|2.415104|2.441260|2.595431|0.064141|2.756915|3.368797|5.580745|3.703186|7.268834|3.993924|3.478873|24.329059|4.738918|5.975694|0.099653|5.634599|4.880860|5.576869|8.889135|17.731814|8.870673|9.128970|4.083658|2.332542|3.669428|4.127439|1.994163|1.969955|3.707916|1.848479|1.779895|0.048460|0.057347|0.051207|0.054547|0.049180|0.051565|0.051007|0.072527|0.143939|0.075462|0.111589|0.082193|0.106290|0.215018|0.500000| |1.779687|1.725766|3.222804|1.747718|1.616110|1.546193|1.583996|1.709081|1.803552|1.713885|0.043518|1.789229|2.011621|2.989713|2.056212|3.834518|2.460211|2.094588|16.459881|2.919757|4.561750|0.086693|4.329675|5.891221|8.838959|6.732912|4.602459|3.985655|4.218661|17.544900|1.623368|2.639446|2.937441|1.498547|1.523875|2.666009|1.379904|1.310238|0.046996|0.054844|0.047583|0.049067|0.043660|0.043316|0.040412|0.052943|0.068140|0.047978|0.061312|0.052766|0.151633|0.193138|0.108384|0.500000| |1.630744|1.581918|2.976761|1.621748|1.496160|1.441385|1.490901|1.617266|1.694271|1.649383|0.042147|1.746974|1.976054|2.898968|1.968270|3.637771|2.360757|2.108821|16.457899|2.919637|4.561191|0.086809|4.329621|5.891687|8.837396|6.726637|4.600158|3.985620|4.218155|17.543645|1.598120|2.591255|2.923415|1.497717|1.540524|2.528372|1.307016|1.252231|0.042950|0.049727|0.044216|0.044434|0.040369|0.039911|0.037653|0.050069|0.066333|0.045773|0.062704|0.053592|0.151646|0.192721|0.108277|0.302302|0.500000| |1.815330|1.728270|3.229436|1.726803|1.579668|1.498855|1.535004|1.671191|1.783328|1.677287|0.042678|1.782501|2.004372|2.902398|1.955247|3.561107|2.363137|2.140747|17.382517|3.077060|5.080450|0.100099|4.760027|7.270617|8.828929|5.556978|4.147416|3.957126|4.238746|17.576579|1.641309|2.658516|3.021146|1.552689|1.605775|2.568877|1.325652|1.256435|0.047857|0.056117|0.049144|0.048458|0.043752|0.042351|0.039013|0.053022|0.065830|0.045684|0.062307|0.054392|0.221598|0.141267|0.095525|0.301821|0.301815|0.500000| |2.170225|2.279715|4.738598|2.793432|2.479719|2.487947|2.812721|3.318984|3.293428|3.763966|0.109123|4.746204|4.035258|4.272225|2.812273|4.258137|4.169089|4.130170|25.503701|2.728264|3.240408|0.065912|2.079032|1.814664|1.660184|1.693554|1.898000|2.143183|3.437649|1.473435|7.265323|13.078988|16.511932|17.625166|8.811218|4.771596|2.318956|2.217100|0.054202|0.059145|0.064909|0.057755|0.063068|0.061799|0.062064|0.100103|0.078704|0.075771|0.097103|0.141572|0.048756|0.043545|0.052555|0.039217|0.039346|0.040401|0.500000| |2.642556|2.772095|5.869131|3.380149|2.903110|2.804195|3.089329|3.708814|3.935122|3.867395|0.108073|4.774992|3.987426|4.254312|2.797804|4.232808|4.141445|3.965702|27.091796|2.833615|3.417083|0.070674|2.157516|1.884904|1.704819|1.717801|1.912470|2.181858|3.478398|1.514275|7.288415|13.134624|16.535238|17.630908|8.815675|4.987234|2.411972|2.223575|0.064904|0.070867|0.081184|0.068181|0.077191|0.072157|0.068788|0.122163|0.078338|0.075526|0.090982|0.126724|0.051098|0.043937|0.052311|0.040428|0.040038|0.041807|0.302611|0.500000| |2.565344|2.531001|5.261456|2.849894|2.413864|2.279027|2.460654|2.944099|3.241034|3.091742|0.081850|3.946534|3.849331|4.162560|2.599416|4.018889|3.584303|4.492685|35.658890|3.456505|4.241077|0.090919|2.557252|2.208455|1.941771|1.916955|2.127140|2.499611|3.992818|1.710530|4.892888|7.499909|12.873909|8.845585|17.573078|3.989820|1.953754|1.821636|0.063060|0.071549|0.079367|0.062849|0.067933|0.061269|0.056480|0.105994|0.080786|0.064972|0.103477|0.147522|0.060610|0.048293|0.056850|0.044877|0.045194|0.047709|0.172937|0.210973|0.500000| |2.123503|2.136533|4.393037|2.466922|2.150599|2.096605|2.310789|2.732822|2.847850|3.033127|0.082201|3.921519|3.882579|4.170778|2.606717|4.034656|3.596841|4.721628|32.136648|3.262067|3.907922|0.081212|2.424867|2.094438|1.873949|1.880843|2.104090|2.437520|3.923202|1.650284|4.875575|7.480615|12.819149|8.835917|17.564668|3.872599|1.901648|1.816801|0.053041|0.059439|0.063867|0.054325|0.057630|0.054470|0.052520|0.090395|0.081024|0.065045|0.112498|0.172002|0.056720|0.047714|0.057083|0.043185|0.044157|0.045596|0.211060|0.172882|0.300693|0.500000| |2.178801|2.177563|4.402260|2.441620|2.147291|2.071578|2.234475|2.584485|2.728440|2.742986|0.075729|3.346167|3.151007|3.502497|2.270595|3.550747|3.201907|3.507528|25.161341|2.681874|3.331222|0.070381|2.095210|1.851557|1.664535|1.655445|1.819469|2.076122|3.246519|1.489836|4.272935|7.164675|10.206998|8.901987|17.555967|3.714913|1.852408|1.755742|0.054758|0.059743|0.066830|0.054628|0.059874|0.055017|0.052213|0.084749|0.067582|0.059081|0.084693|0.116132|0.050822|0.042321|0.049280|0.039295|0.039765|0.041470|0.211527|0.211991|0.300809|0.301050|0.500000| |2.252361|2.731354|5.278163|3.728842|4.575509|6.766351|7.001146|4.707570|3.777040|4.061484|0.116724|3.077365|2.726616|3.885730|3.408487|5.827854|5.617216|2.244067|14.605641|1.961729|2.424345|0.047249|1.721717|1.571193|1.531637|1.622515|1.785703|1.850267|2.752384|1.391283|2.777686|5.214682|4.167617|2.123050|1.842290|16.535251|17.544145|8.851181|0.058524|0.060601|0.059549|0.079169|0.076861|0.113856|0.229940|0.087584|0.070821|0.137759|0.058840|0.059407|0.041364|0.043454|0.051561|0.039068|0.036691|0.037252|0.058258|0.061056|0.050893|0.049193|0.047855|0.500000| |2.272669|2.756855|5.355634|3.793451|4.627629|6.812165|7.164199|4.838301|3.862806|4.167086|0.128385|3.194200|2.714012|3.679227|3.088597|5.067440|5.215156|2.251126|14.610695|1.902845|2.348279|0.046229|1.641286|1.493293|1.440214|1.510403|1.660635|1.744595|2.620810|1.309315|3.045113|6.022218|4.499882|2.341756|1.988970|16.558871|17.548262|8.842628|0.058911|0.059991|0.061358|0.077107|0.080070|0.114392|0.223709|0.089454|0.066476|0.120172|0.058101|0.060938|0.039598|0.040224|0.047538|0.036478|0.034608|0.035298|0.064936|0.068557|0.054366|0.052464|0.052053|0.300939|0.500000| |1.864281|2.158494|4.254947|2.875975|3.137575|4.023349|4.888733|4.036717|3.159018|4.222648|0.141617|3.265974|2.792221|3.800394|3.263795|5.376537|5.680447|2.316039|14.320977|1.871714|2.278315|0.044432|1.603825|1.453089|1.413444|1.502894|1.667730|1.734942|2.626486|1.281069|3.085967|6.114669|4.519294|2.338011|1.980398|12.936268|8.861553|17.578113|0.048278|0.050303|0.051029|0.059824|0.061051|0.077756|0.114642|0.077843|0.068316|0.135098|0.060927|0.063444|0.038228|0.040250|0.048525|0.035517|0.034205|0.034296|0.067028|0.066056|0.052962|0.053427|0.051709|0.173418|0.211963|0.500000| |1.852872|2.146023|4.215073|2.846885|3.120817|4.013156|4.833193|3.957358|3.110346|4.109036|0.126260|3.139171|2.804174|4.026653|3.645466|6.307977|6.204639|2.307159|14.310633|1.926976|2.346892|0.045323|1.678153|1.524206|1.499219|1.612808|1.793979|1.838162|2.757879|1.357278|2.806907|5.271175|4.180977|2.119375|1.834811|12.908396|8.854341|17.571382|0.048062|0.050656|0.049969|0.060770|0.059590|0.077587|0.115458|0.076571|0.073018|0.161463|0.061749|0.061691|0.039801|0.043476|0.052808|0.037887|0.036205|0.036073|0.059728|0.059248|0.049719|0.049965|0.047572|0.212186|0.173262|0.300794|0.500000| 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