Version2.0 2019-11-12T07:20:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1=C([C@@H](C2=C(N1)CCCC2=O)c3cc(sc3)Cn4cnc5c4cccc5)C(=O)Nc6ccccc6 C12416416 RHF 6-31G(d) (6D,7F) CC1=C([C@@H](C2=C(N1)CCCC2=O)c3cc(sc3)Cn4cnc5c4cccc5)C(=O)Nc6ccccc6 C01[X(C29H26N4O2S1)] 180 C1 596 CC1=C(C(=O)Nc2ccccc2)[C@@H](C2=C(N1)CCCC2=O)c1csc(c1)Cn1cnc2c1cccc2 CC1=C(C(=O)Nc2ccccc2)[C@@H](C2=C(N1)CCCC2=O)c1csc(c1)Cn1cnc2c1cccc2 CC1=C([C@H](c2csc(Cn3cnc4ccccc34)c2)C5=C(CCCC5=O)N1)C(=O)Nc6ccccc6 InChIKey=ISJUWSJVBMGJHE-MHZLTWQESA-N InChI=1S/C29H26N4O2S/c1-18-26(29(35)32-20-8-3-2-4-9-20)27(28-23(31-18)11-7-13-25(28)34)19-14-21(36-16-19)15-33-17-30-22-10-5-6-12-24(22)33/h2-6,8-10,12,14,16-17,27,31H,7,11,13,15H2,1H3,(H,32,35)/t27-/m0/s1 InChI=1/C29H26N4O2S/c1-18-26(29(35)32-20-8-3-2-4-9-20)27(28-23(31-18)11-7-13-25(28)34)19-14-21(36-16-19)15-33-17-30-22-10-5-6-12-24(22)33/h2-6,8-10,12,14,16-17,27,31H,7,11,13,15H2,1H3,(H,32,35)/t27-/m0/s1/f/h32H CC1=C([C@@H](C2=C(N1)CCCC2=O)c3cc(sc3)Cn4cnc5c4cccc5)C(=O)Nc6ccccc6 C01[X(C29H26N4O2S1)] 180 C01 596 CC1=C(C(=O)Nc2ccccc2)[C@@H](C2=C(N1)CCCC2=O)c1csc(c1)Cn1cnc2c1cccc2 CC1=C(C(=O)Nc2ccccc2)[C@@H](C2=C(N1)CCCC2=O)c1csc(c1)Cn1cnc2c1cccc2 CC1=C([C@H](c2csc(Cn3cnc4ccccc34)c2)C5=C(CCCC5=O)N1)C(=O)Nc6ccccc6 InChIKey=ISJUWSJVBMGJHE-MHZLTWQESA-N InChI=1S/C29H26N4O2S/c1-18-26(29(35)32-20-8-3-2-4-9-20)27(28-23(31-18)11-7-13-25(28)34)19-14-21(36-16-19)15-33-17-30-22-10-5-6-12-24(22)33/h2-6,8-10,12,14,16-17,27,31H,7,11,13,15H2,1H3,(H,32,35)/t27-/m0/s1 InChI=1/C29H26N4O2S/c1-18-26(29(35)32-20-8-3-2-4-9-20)27(28-23(31-18)11-7-13-25(28)34)19-14-21(36-16-19)15-33-17-30-22-10-5-6-12-24(22)33/h2-6,8-10,12,14,16-17,27,31H,7,11,13,15H2,1H3,(H,32,35)/t27-/m0/s1/f/h32H 3817.7701062549 -1878.3733174 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1387.29 1406.75 1424.72 1447.56 1474.87 1500.95 1509.55 1526.17 1530.70 1541.65 1563.46 1577.45 1580.15 1583.95 1598.47 1618.43 1628.13 1649.85 1675.88 1683.21 1707.57 1708.79 1724.96 1747.61 1750.55 1761.45 1765.53 1791.74 1812.66 1826.26 1849.57 1880.04 1888.97 1903.06 1906.69 1917.79 1932.41 1942.29 1965.16 1970.41 1983.87 2014.12 2018.98 2028.97 2062.38 2084.06 2098.27 2126.23 2131.02 2144.11 2170.52 2194.98 2198.17 2223.51 2227.10 2244.82 2263.93 2310.72 2320.69 2340.98 2345.29 2349.94 2351.87 2371.51 2371.87 2373.92 2394.09 2398.69 2407.80 2469.67 2472.61 2563.27 2574.63 2589.02 2601.52 2616.91 2654.35 2739.70 2806.77 2819.10 4597.48 4599.86 4607.24 4623.22 4651.72 4656.25 4675.88 4687.89 4690.69 4730.29 4737.49 4809.69 4822.39 4828.17 4836.30 4848.61 4852.45 4867.23 4875.86 4881.90 4904.18 4927.92 4955.32 4981.85 5578.78 5590.67 0.535164 0.564116 0.565060 0.468519 -1877.838154 -1877.809202 -1877.808257 -1877.904798 3.238001D-04 MUNgauss RevisionA1.9 retrievium 12-Nov-2019 DUDE CC1=C([C@@H](C2=C(N1)CCCC2=O)c3cc(sc3)Cn4cnc5c4cccc5)C(=O)Nc6ccccc6 C12416416 RHF 6-31G(d) (6D,10F) C1 494.177621 |X|Y|Z| 119.181122 86.117150 31.979751 68.980139 33 6 7 16 28 4 1 |36.858105| |12.644156|36.858105| |7.491573|14.333618|36.858105| |4.836006|7.618018|12.522790|36.858105| |4.187638|5.917033|8.997746|17.593270|0.500000| |4.446447|6.797003|7.612747|12.553474|0.249026|36.858105| |5.143694|7.875707|6.816793|7.623820|0.163751|14.225869|36.858105| |7.883692|13.631201|8.064807|6.690738|0.144328|8.074491|13.865701|53.358707| |3.970350|5.085087|4.437282|4.863911|0.116226|7.579598|12.628347|10.640336|36.858105| |3.153796|3.913731|3.715827|4.343185|0.111475|6.609164|7.584966|6.959827|12.481019|36.858105| |2.912783|3.690079|3.766258|4.841025|0.125651|7.444703|6.634668|6.111993|7.592728|12.488204|36.858105| |3.316506|4.460750|4.940547|7.454892|0.193094|12.937673|7.795141|6.982146|6.502508|7.546954|12.564897|36.858105| |2.937777|3.813723|4.440061|6.762424|0.199844|8.160447|5.396463|5.527665|4.613816|5.307079|8.046094|15.868234|73.516695| |3.925843|5.424142|7.572685|12.480191|0.250505|7.568051|5.429950|6.724731|3.972168|3.627873|4.252283|6.068153|10.896027|36.858105| |3.085794|3.919508|5.115452|7.294345|0.199797|5.357225|4.022367|4.951160|3.217946|3.125932|3.771309|5.172445|10.724229|13.225513|36.858105| |2.713012|3.292916|4.022327|5.048397|0.133419|4.130585|3.352043|4.228925|2.808818|2.717918|3.236492|4.070512|8.117652|8.162332|14.171359|36.858105| |2.910461|3.494916|4.061133|4.697922|0.113832|4.019758|3.476035|4.540330|2.923191|2.702334|3.113477|3.734410|6.800369|7.419820|7.472364|10.966208|388.023441| |3.867666|5.079564|6.193917|7.459062|0.156868|5.888103|4.927093|6.476336|3.781457|3.325226|3.780926|4.823600|8.229311|14.147210|8.277450|7.703623|78.459976|36.858105| |2.247907|2.627198|3.099293|3.704445|0.102729|3.201515|2.687486|3.407779|2.345954|2.326492|2.749005|3.289459|6.680348|5.030731|7.481454|12.683240|47.743576|4.824492|36.858105| |2.025867|2.350970|2.681417|3.198642|0.087677|2.947404|2.519030|3.145817|2.273134|2.292343|2.745093|3.148780|6.361436|4.130122|5.459046|7.732243|39.879813|4.105497|13.116315|53.358707| |2.009992|2.356903|2.653253|3.245245|0.088732|3.141183|2.667645|3.238903|2.456493|2.538256|3.142637|3.532750|7.251891|4.058436|5.126039|6.295585|34.960727|3.958490|7.566513|19.007157|36.858105| |1.794574|2.067356|2.274153|2.700807|0.073759|2.681161|2.348367|2.870626|2.224204|2.315709|2.817421|3.015156|6.008971|3.228337|3.817724|4.481379|27.728148|3.221100|5.270660|11.646578|14.858800|53.358707| |1.683737|1.908644|2.095920|2.420805|0.066192|2.349026|2.087971|2.612098|1.966816|2.013218|2.374610|2.551224|5.001920|2.897880|3.419040|4.153991|26.358198|2.948648|5.258213|11.773937|9.023539|18.756347|36.858105| |1.789143|2.029859|2.265064|2.606821|0.071419|2.443575|2.151955|2.725172|1.981623|1.997489|2.338470|2.589541|5.100349|3.215868|3.940137|5.134469|31.103345|3.282900|7.502737|18.777238|8.708074|11.395630|13.658804|36.858105| |1.674583|1.865949|2.069483|2.312021|0.063476|2.144972|1.919803|2.477805|1.768487|1.765327|2.018734|2.222859|4.308874|2.801502|3.338393|4.242897|27.104127|2.892494|5.929523|10.203656|5.343395|7.209968|7.816266|13.695367|36.858105| |1.504391|1.657647|1.809924|1.997572|0.054815|1.887350|1.715333|2.219331|1.605363|1.608832|1.821439|1.962705|3.762430|2.353332|2.709676|3.276973|21.863118|2.436374|4.173584|6.989518|4.259910|6.289198|6.908365|8.066542|13.813550|36.858105| |1.438979|1.588277|1.718413|1.908042|0.052283|1.840924|1.680933|2.155207|1.596217|1.615705|1.836709|1.943847|3.718091|2.217258|2.517851|2.969075|19.990408|2.287749|3.626573|6.335321|4.289902|6.993383|8.018834|6.944087|7.851275|13.593233|36.858105| |1.508616|1.684045|1.823582|2.060757|0.056382|2.015970|1.827445|2.309318|1.744892|1.784787|2.062893|2.170180|4.181263|2.401639|2.741298|3.219975|21.379386|2.461668|3.894122|7.348722|5.479159|10.323687|13.688186|7.885640|6.722353|7.872019|13.824892|36.858105| |6.194223|7.627536|12.668951|7.517928|0.199644|4.953570|4.445642|6.871646|3.295581|2.913631|2.987687|3.777865|6.500710|6.086693|4.804017|3.882944|26.885439|5.119405|3.092310|3.533545|2.488912|2.910226|2.013640|2.215482|2.066253|1.800501|1.685393|1.762095|36.858105| |4.790652|5.594168|8.097916|6.429721|0.203079|4.443103|3.882114|5.650815|2.992260|2.758751|2.853915|3.611302|6.458562|5.221092|4.593233|3.662063|23.800317|4.219472|3.030765|3.448339|2.428520|2.843217|1.968996|2.166124|2.024753|1.766316|1.652768|1.725805|15.887309|73.516695| |5.965651|6.228142|7.865382|5.359445|0.136781|3.938159|3.716114|5.908116|2.887019|2.529252|2.579512|3.125010|5.377943|5.098762|4.174263|3.660279|27.007488|4.888267|2.964612|3.388955|2.341876|2.767438|1.950166|2.163660|2.056223|1.796606|1.667183|1.721815|13.981570|14.957103|53.358707| |4.401513|4.301453|5.022630|3.951651|0.106318|3.080621|2.916808|4.486155|2.379241|2.136770|2.185021|2.582806|4.543603|3.940413|3.532164|3.242834|23.529859|3.844225|2.764344|3.153796|2.143689|2.561528|1.837595|2.054030|1.995361|1.751805|1.610332|1.640025|7.614977|11.587393|18.390070|36.858105| |3.675061|3.608099|4.206753|3.498635|0.099293|2.777156|2.602667|3.894691|2.162816|1.989009|2.036203|2.396305|4.290047|3.410829|3.215742|2.930127|20.222411|3.198698|2.589810|2.960958|2.014781|2.419965|1.740696|1.941574|1.896596|1.673205|1.538133|1.561404|6.248295|11.655263|10.499136|13.698812|36.858105| |2.980892|2.882421|3.230719|2.805780|0.079507|2.316377|2.192565|3.243948|1.871895|1.738114|1.778422|2.050545|3.688909|2.798312|2.713462|2.557479|17.746325|2.686336|2.340656|2.709473|1.832834|2.229576|1.624315|1.811889|1.800348|1.603518|1.467952|1.474031|4.303039|7.975549|6.978574|7.949145|13.742466|36.858105| |2.779342|2.653705|2.899244|2.536246|0.070233|2.133351|2.043909|3.036470|1.764722|1.629420|1.665404|1.895939|3.390410|2.592495|2.506617|2.433645|17.434638|2.578084|2.244018|2.622360|1.763858|2.162111|1.590271|1.776562|1.786465|1.600109|1.458937|1.453455|3.662647|6.420471|6.177838|6.829561|7.884057|13.766482|36.858105| |3.059074|2.898258|3.132530|2.695910|0.072655|2.263368|2.187053|3.294831|1.877318|1.708458|1.744656|1.985396|3.513358|2.805212|2.649614|2.605088|19.426625|2.883260|2.355406|2.754043|1.848827|2.261641|1.663291|1.861671|1.868311|1.668386|1.520093|1.516288|3.892896|6.418753|7.068235|7.905767|6.857603|7.986232|13.752020|36.858105| |3.827373|3.640767|3.997499|3.292042|0.086774|2.686794|2.593453|3.984660|2.171096|1.944443|1.985529|2.293488|4.019158|3.425160|3.111815|3.004535|22.858912|3.552589|2.611241|3.020775|2.036633|2.461774|1.789615|2.004241|1.977840|1.748359|1.599210|1.612534|5.159063|7.921415|10.858618|13.682059|7.929227|6.921374|7.937979|13.787276|36.858105| |17.527506|8.888566|5.887126|4.192833|0.099747|3.978035|4.683019|9.567196|3.799069|2.976669|2.750055|3.050151|4.800695|3.641682|2.883540|2.610424|20.633218|3.793220|2.172398|2.691510|1.959545|2.399041|1.661677|1.761492|1.655499|1.494066|1.430686|1.496323|4.985429|6.983238|7.118203|4.046641|3.318889|2.777780|2.675246|3.016731|3.756300|0.500000| |17.533552|8.927798|5.884957|4.217750|0.105492|4.115061|4.900111|9.770767|3.999882|3.198361|2.855388|3.164001|4.957784|3.384737|2.746234|2.417771|18.091023|3.273765|2.041699|2.535213|1.865603|2.287362|1.572679|1.655815|1.549762|1.402658|1.350019|1.417412|4.990099|7.494880|6.297106|3.672578|3.241104|2.694538|2.500012|2.684746|3.224599|0.301766|0.500000| |17.673267|8.811172|6.987713|4.492126|0.112529|3.890531|4.193567|7.730328|3.311373|2.756194|2.610958|3.003417|4.882530|3.761130|3.041128|2.684916|20.198815|3.668431|2.245358|2.718253|1.954123|2.371235|1.650009|1.769261|1.671357|1.498469|1.422817|1.480873|7.105089|9.655802|10.097161|5.461587|4.473179|3.522253|3.236487|3.561250|4.558278|0.301084|0.302273|0.500000| |7.674562|9.304001|5.902976|4.975695|0.115117|5.904959|9.383668|26.085133|7.521174|4.838645|4.012273|4.264425|6.135508|3.936425|3.059167|2.684738|20.581207|3.889468|2.220818|2.825219|2.139576|2.621923|1.763207|1.826176|1.673183|1.513858|1.476294|1.576482|4.202706|6.336991|5.135974|2.979686|2.617526|2.219615|2.095235|2.268804|2.699897|0.203742|0.219904|0.149562|0.500000| |4.099263|4.901887|4.070831|4.144350|0.101876|5.736787|8.932302|10.131934|17.530209|8.829714|5.522716|4.909824|6.691872|3.387626|2.794990|2.466841|18.283752|3.254917|2.094319|2.752620|2.157953|2.686902|1.769948|1.786542|1.614562|1.475628|1.465160|1.587911|3.112481|5.049025|3.754898|2.295934|2.098622|1.825197|1.722169|1.827065|2.101279|0.109272|0.120599|0.093598|0.235461|0.500000| |3.665073|4.540739|3.987790|4.338300|0.102349|6.228105|8.987384|9.078028|17.505611|8.812797|6.681589|5.583422|7.390256|3.828219|3.116328|2.806144|21.514614|3.851713|2.346525|3.139133|2.502780|3.112750|2.022050|2.024068|1.804100|1.643869|1.641624|1.798956|3.033613|4.843575|3.736623|2.283247|2.055520|1.795624|1.714489|1.840704|2.124304|0.101743|0.100166|0.085558|0.182420|0.303444|0.500000| |3.152284|3.855629|3.684984|4.225127|0.113389|6.090924|6.707076|6.578890|8.883661|17.537211|8.867797|6.763339|9.044122|3.405222|2.980356|2.559250|17.706382|3.044215|2.213927|2.935718|2.361433|2.930307|1.888451|1.884881|1.678228|1.530617|1.531243|1.680739|2.938794|5.057028|3.418139|2.132147|2.013028|1.756116|1.631045|1.693323|1.919208|0.080765|0.090880|0.077224|0.128500|0.218729|0.173919|0.500000| |2.767548|3.286467|3.096667|3.505165|0.090918|4.859354|5.533998|5.689930|8.849568|17.563004|8.821959|5.502210|7.599826|3.067703|2.711264|2.424848|17.325021|2.894996|2.118915|2.887243|2.359056|2.991716|1.916253|1.878265|1.666769|1.535464|1.554874|1.719181|2.510858|4.242528|3.036423|1.917744|1.791830|1.585743|1.498003|1.569848|1.768636|0.074004|0.078517|0.067758|0.114783|0.208873|0.217155|0.303148|0.500000| |2.549584|3.129612|3.240459|4.087509|0.111927|5.580946|4.929943|4.953608|5.499175|8.751480|17.599562|8.996502|13.514474|3.680205|3.456969|3.002066|19.942683|3.254379|2.638741|3.637493|3.102989|3.845751|2.362643|2.296167|1.978260|1.796763|1.826424|2.062696|2.682280|4.667849|3.167014|2.009718|1.902308|1.677168|1.567544|1.626706|1.829017|0.066763|0.070018|0.064660|0.092333|0.123215|0.137596|0.213470|0.208422|0.500000| |2.764825|3.453222|3.499276|4.412948|0.111088|6.327152|5.878948|5.711251|6.820311|8.833328|17.494349|9.024431|11.854768|4.193599|3.733996|3.334148|23.579887|3.935263|2.831444|3.944130|3.380938|4.169265|2.548713|2.476585|2.118806|1.916603|1.947828|2.208809|2.805320|4.692609|3.384424|2.118127|1.954659|1.719592|1.628441|1.719989|1.955159|0.074231|0.074280|0.068914|0.105089|0.138912|0.195703|0.173577|0.213809|0.302720|0.500000| |2.880317|3.601720|4.671261|6.610696|0.211876|5.017575|3.745615|4.559175|3.053163|3.068732|3.720625|5.141292|11.613361|8.611532|17.749601|8.928563|37.739837|5.757111|6.675135|6.851960|4.850595|4.998141|3.271847|3.714156|3.163858|2.596739|2.427560|2.645185|4.538812|8.310877|5.193352|3.312090|3.148861|2.669498|2.420370|2.493817|2.870500|0.073665|0.072701|0.079488|0.079273|0.074391|0.080455|0.083276|0.073885|0.097926|0.099087|0.500000| |4.367521|5.712390|6.269202|6.552871|0.135781|5.695340|5.305728|7.452229|4.061542|3.385372|3.675654|4.451255|7.191308|8.774491|5.701530|5.416065|55.423948|17.773570|3.836097|4.648342|3.348885|3.865411|2.621192|2.855157|2.565219|2.213440|2.097187|2.242863|4.934914|6.992822|6.694021|3.799834|3.092330|2.608421|2.537585|2.887927|3.598353|0.123971|0.100407|0.111497|0.124229|0.097979|0.118087|0.085133|0.082433|0.086504|0.107269|0.122883|0.500000| |2.158439|2.467821|2.876847|3.280757|0.090262|2.827657|2.438722|3.166108|2.139002|2.095029|2.414511|2.831875|5.580588|4.332881|5.795733|8.923365|44.771802|4.370966|17.617674|12.638452|5.699979|6.077897|4.830002|7.228641|6.759988|4.544633|3.718453|3.777290|2.945115|5.106591|3.974964|2.801148|2.620567|2.411331|2.350176|2.478292|2.709475|0.058418|0.054292|0.060505|0.057857|0.053713|0.059702|0.055562|0.053415|0.064232|0.069099|0.143874|0.099759|0.500000| |2.186362|2.548013|3.034158|3.642570|0.105603|3.122231|2.597546|3.282625|2.268076|2.282530|2.694769|3.252029|6.800738|4.678829|7.152131|9.013137|36.392100|4.193403|17.569729|12.400795|6.474668|6.433205|4.638633|6.146784|5.121072|3.785034|3.331640|3.558181|3.087084|5.564051|3.945023|2.730701|2.629928|2.379139|2.242007|2.304372|2.530488|0.057968|0.055630|0.061079|0.059540|0.056564|0.062064|0.061252|0.057592|0.073017|0.075447|0.207812|0.094418|0.303330|0.500000| |2.178607|2.608413|2.963042|3.779677|0.103479|3.725443|3.065330|3.622283|2.801144|2.937236|3.786882|4.378510|9.364306|4.731786|6.033687|6.712265|35.940510|4.405432|6.824354|12.221579|17.777185|12.417918|6.037311|5.940278|4.183567|3.446156|3.460197|4.242198|2.714531|4.708261|3.397932|2.241867|2.102533|1.886779|1.797699|1.883027|2.097657|0.058516|0.056223|0.058357|0.065726|0.067221|0.078633|0.075436|0.074718|0.103767|0.113151|0.160232|0.101916|0.139863|0.171822|0.500000| |1.721090|1.907879|2.130878|2.351199|0.064716|2.138342|1.913962|2.498385|1.743888|1.725437|1.955231|2.177969|4.209567|2.862336|3.424602|4.388016|27.910216|2.957503|6.200640|8.919487|4.589361|5.840263|5.571681|8.799518|17.723425|8.908432|5.600384|4.873850|2.166261|3.779342|2.967002|2.144073|2.041329|1.949796|1.943781|2.031871|2.137772|0.047206|0.044033|0.048125|0.046786|0.044415|0.049186|0.045799|0.045028|0.052918|0.056499|0.089859|0.072617|0.224261|0.149722|0.105283|0.500000| |1.429595|1.559250|1.695191|1.844104|0.050669|1.736277|1.590730|2.077299|1.489584|1.486048|1.662716|1.787662|3.402370|2.148229|2.439773|2.901418|19.674062|2.228098|3.591522|5.596806|3.463468|4.988808|4.970323|5.699428|8.973142|17.714034|8.889243|5.630520|1.702144|2.973228|2.331837|1.689879|1.620944|1.570019|1.577946|1.641204|1.700754|0.039516|0.037068|0.039741|0.039541|0.038296|0.042308|0.039439|0.039469|0.045512|0.048342|0.065156|0.056805|0.111160|0.092206|0.080874|0.215642|0.500000| |1.334946|1.461577|1.568710|1.724753|0.047285|1.674118|1.543441|1.987379|1.476837|1.495505|1.683084|1.762840|3.345301|1.973951|2.204980|2.545605|17.405392|2.037211|3.013762|5.018794|3.491478|5.613900|5.676186|4.989049|5.623837|8.893841|17.716520|8.953520|1.540551|2.688689|2.080301|1.483000|1.421172|1.364503|1.360604|1.414512|1.478635|0.036953|0.034935|0.036677|0.038053|0.037883|0.042221|0.039462|0.040222|0.046615|0.049488|0.059334|0.052515|0.086033|0.078178|0.081281|0.123850|0.215963|0.500000| |1.440577|1.604312|1.721699|1.942556|0.053134|1.931374|1.764426|2.220311|1.707907|1.761323|2.032088|2.097744|4.016138|2.224662|2.493774|2.847656|19.151792|2.272896|3.304473|5.968342|4.763688|9.196506|8.885759|5.619354|4.874251|5.598905|8.874687|17.729282|1.651729|2.877438|2.188692|1.527174|1.456318|1.374885|1.354151|1.410612|1.499474|0.039733|0.037813|0.039117|0.042333|0.043247|0.049045|0.046003|0.047555|0.056895|0.060705|0.067273|0.058196|0.087919|0.085373|0.107860|0.106192|0.123642|0.213704|0.500000| |6.420308|6.678777|7.693476|5.285391|0.126880|4.023629|3.903892|6.388640|3.026802|2.590882|2.633316|3.151608|5.322842|5.261788|4.128629|3.727941|29.462681|5.516737|2.971362|3.439634|2.383236|2.824056|1.989738|2.201497|2.088411|1.827617|1.699519|1.757503|9.528475|10.935148|26.086064|9.336432|5.741991|4.293776|4.079663|4.930923|7.668596|0.168578|0.131883|0.207429|0.113052|0.080023|0.081493|0.070236|0.063707|0.065204|0.071618|0.101238|0.164689|0.081584|0.078783|0.070404|0.061258|0.048339|0.043271|0.045617|0.500000| |3.700830|3.723715|4.449231|3.736445|0.110201|2.936895|2.716004|4.012495|2.244527|2.085961|2.136322|2.539903|4.579761|3.502496|3.325863|2.937944|19.647357|3.155072|2.596857|2.971547|2.042173|2.444991|1.743234|1.933686|1.870552|1.649771|1.525292|1.558447|6.819601|14.979164|9.524341|8.911199|17.828101|8.914514|5.632211|4.952635|5.646254|0.090092|0.092547|0.123693|0.074499|0.060494|0.058453|0.059337|0.051866|0.055693|0.056245|0.093077|0.083702|0.071687|0.074532|0.059768|0.055537|0.044189|0.039115|0.040490|0.143214|0.500000| |2.663388|2.590700|2.888243|2.568045|0.074048|2.151509|2.032100|2.968256|1.754367|1.648831|1.686842|1.933952|3.503769|2.537041|2.503212|2.354182|16.036620|2.405171|2.194582|2.560021|1.738734|2.126186|1.550215|1.721528|1.714186|1.535418|1.409048|1.413065|3.737996|7.225361|5.652756|5.661476|8.970725|17.712565|8.927205|5.665030|4.976727|0.068654|0.068370|0.085943|0.056736|0.047647|0.046578|0.046576|0.041927|0.044572|0.045124|0.069715|0.064521|0.062567|0.062784|0.049665|0.051449|0.041863|0.036496|0.036700|0.098203|0.216446|0.500000| |2.418794|2.310324|2.492474|2.224426|0.061838|1.906218|1.832586|2.698841|1.604953|1.492699|1.524684|1.717448|3.079477|2.277881|2.230519|2.189096|15.640006|2.271483|2.058143|2.433519|1.637777|2.025406|1.498943|1.668994|1.693458|1.530481|1.395280|1.381570|3.042300|5.396346|4.918458|4.929917|5.621189|8.899443|17.723804|8.896354|5.643154|0.065195|0.061418|0.076804|0.052157|0.043624|0.043443|0.041530|0.038374|0.040104|0.041504|0.060227|0.062124|0.060172|0.057266|0.046080|0.051209|0.042221|0.036332|0.035812|0.092446|0.123967|0.214619|0.500000| |2.766608|2.613195|2.767398|2.423440|0.064836|2.078304|2.025515|3.040678|1.763322|1.605109|1.637083|1.839983|3.247850|2.548030|2.416773|2.422879|18.423806|2.672549|2.217448|2.629290|1.764083|2.177387|1.612707|1.800437|1.823379|1.641717|1.494784|1.481918|3.282345|5.393096|5.743567|5.638318|4.943847|5.660687|8.902538|17.714317|8.956197|0.077546|0.068041|0.087324|0.058707|0.047749|0.048465|0.043973|0.041273|0.042460|0.045163|0.062889|0.075106|0.065368|0.059717|0.049530|0.055098|0.045142|0.038804|0.038325|0.116885|0.107515|0.124236|0.213946|0.500000| 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