Version2.0 2019-11-28T03:55:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCN([C@@H](c1ccc(c(c1)OC)O)C(=O)NCS(=O)(=O)c2ccc(cc2)C)C(=O)c3cccnc3 C36577321 RHF 6-31G(d) (6D,7F) CCCN([C@@H](c1ccc(c(c1)OC)O)C(=O)NCS(=O)(=O)c2ccc(cc2)C)C(=O)c3cccnc3 C01[X(C26H29N3O6S1)] 189 C1 602 CCCN(C(=O)c1cccnc1)[C@@H](c1ccc(c(c1)OC)O)C(=O)NCS(=O)(=O)c1ccc(cc1)C CCCN(C(=O)c1cccnc1)[C@@H](c1ccc(c(c1)OC)O)C(=O)NCS(c1ccc(cc1)C)(O)O CCCN([C@H](C(=O)NC[S](O)(O)c1ccc(C)cc1)c2ccc(O)c(OC)c2)C(=O)c3cccnc3 InChIKey=SZFXYALHYJTDPY-DEOSSOPVSA-N InChI=1S/C26H31N3O6S/c1-4-14-29(26(32)20-6-5-13-27-16-20)24(19-9-12-22(30)23(15-19)35-3)25(31)28-17-36(33,34)21-10-7-18(2)8-11-21/h5-13,15-16,24,30,33-34H,4,14,17H2,1-3H3,(H,28,31)/t24-/m0/s1 InChI=1/C26H31N3O6S/c1-4-14-29(26(32)20-6-5-13-27-16-20)24(19-9-12-22(30)23(15-19)35-3)25(31)28-17-36(33,34)21-10-7-18(2)8-11-21/h5-13,15-16,24,30,33-34H,4,14,17H2,1-3H3,(H,28,31)/t24-/m0/s1/f/h28H CCCN([C@@H](c1ccc(c(c1)OC)O)C(=O)NCS(=O)(=O)c2ccc(cc2)C)C(=O)c3cccnc3 C01[X(C26H29N3O6S1)] 189 C01 602 CCCN(C(=O)c1cccnc1)[C@@H](c1ccc(c(c1)OC)O)C(=O)NCS(=O)(=O)c1ccc(cc1)C CCCN(C(=O)c1cccnc1)[C@@H](c1ccc(c(c1)OC)O)C(=O)NCS(c1ccc(cc1)C)(O)O CCCN([C@H](C(=O)NC[S](O)(O)c1ccc(C)cc1)c2ccc(O)c(OC)c2)C(=O)c3cccnc3 InChIKey=SZFXYALHYJTDPY-DEOSSOPVSA-N InChI=1S/C26H31N3O6S/c1-4-14-29(26(32)20-6-5-13-27-16-20)24(19-9-12-22(30)23(15-19)35-3)25(31)28-17-36(33,34)21-10-7-18(2)8-11-21/h5-13,15-16,24,30,33-34H,4,14,17H2,1-3H3,(H,28,31)/t24-/m0/s1 InChI=1/C26H31N3O6S/c1-4-14-29(26(32)20-6-5-13-27-16-20)24(19-9-12-22(30)23(15-19)35-3)25(31)28-17-36(33,34)21-10-7-18(2)8-11-21/h5-13,15-16,24,30,33-34H,4,14,17H2,1-3H3,(H,28,31)/t24-/m0/s1/f/h28H 4266.5947508428 -2011.4345693 1-A 18895.3926 135 467 602 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1599.51 1605.63 1607.16 1608.33 1609.08 1619.02 1652.61 1656.79 1661.80 1689.60 1711.79 1716.62 1731.78 1743.35 1759.66 1762.37 1774.28 1793.07 1802.83 1823.38 1865.80 1868.35 1879.12 1885.13 1894.96 1913.77 1913.95 1936.86 1942.03 1955.36 1963.34 1993.03 2023.06 2058.57 2062.09 2068.73 2081.04 2092.49 2097.41 2122.36 2135.45 2145.82 2150.35 2178.76 2243.13 2245.66 2252.32 2255.86 2261.60 2289.13 2298.07 2308.03 2347.01 2354.22 2355.67 2357.68 2365.83 2369.88 2375.82 2378.22 2385.27 2398.83 2410.74 2448.71 2462.81 2540.75 2565.70 2597.81 2598.83 2604.30 2618.36 2763.04 2818.66 4598.09 4618.65 4635.49 4643.60 4670.35 4701.15 4701.28 4704.18 4707.34 4712.47 4738.11 4761.15 4774.30 4805.60 4822.32 4828.33 4845.48 4847.58 4857.59 4876.65 4877.16 4879.47 4884.76 4896.82 4899.85 4911.64 4932.05 5576.45 5870.48 0.563057 0.596191 0.597135 0.492791 -2010.871512 -2010.838378 -2010.837434 -2010.941778 3.499715D-04 MUNgauss RevisionA1.9 retrievium 28-Nov-2019 DUDE CCCN([C@@H](c1ccc(c(c1)OC)O)C(=O)NCS(=O)(=O)c2ccc(cc2)C)C(=O)c3cccnc3 C36577321 RHF 6-31G(d) (6D,10F) C1 511.177667 |X|Y|Z| 64.572289 53.276977 109.029104 72.117844 25 6 7 16 21 3 1 |36.858105| |12.465829|36.858105| |7.531556|12.466109|36.858105| |4.955743|7.632455|12.980131|53.358707| |3.953941|5.378618|7.550235|17.840480|36.858105| |3.355520|4.446308|5.612191|12.643812|17.718576|0.500000| |3.432037|4.201882|5.939959|10.303225|12.467790|0.251843|36.858105| |3.430647|4.009258|5.866415|8.901558|7.436154|0.166510|13.816898|36.858105| |2.849499|3.152912|4.194563|6.021054|4.966718|0.121762|7.908925|13.667702|36.858105| |2.488524|2.736514|3.451034|5.041233|4.413216|0.112884|6.824299|7.933412|13.874470|36.858105| |2.484945|2.792371|3.461419|5.260775|5.032565|0.131658|7.893026|6.881931|7.950003|13.593396|36.858105| |2.838257|3.327902|4.226482|6.843584|7.599712|0.193358|13.582308|7.958782|6.892057|7.924136|13.860295|36.858105| |2.148752|2.370581|2.809087|4.194949|3.861771|0.104874|5.163368|4.624775|5.312581|8.218069|14.058847|7.850156|73.516695| |2.025879|2.253219|2.596144|3.941653|3.669445|0.103730|4.466315|3.786404|3.992083|5.264693|7.969693|6.640559|24.008561|36.858105| |2.164368|2.319998|2.817066|4.014381|3.364332|0.088145|4.604353|5.245125|8.080144|14.153662|7.994251|5.244614|12.815261|4.728203|73.516695| |4.068605|5.428391|6.290188|10.625188|12.347684|0.256356|7.348404|5.072001|3.879942|3.682994|4.338372|6.211451|6.370368|3.572254|5.228122|36.858105| |3.722229|4.939339|5.074886|8.507304|8.013690|0.216078|5.237926|3.939163|3.165155|3.052821|3.558935|4.764851|5.495439|3.201350|4.489856|15.898735|73.516695| |4.153686|5.019132|5.687328|7.884843|7.663896|0.163277|6.512713|4.855927|3.908296|3.783739|4.432818|5.967085|6.605741|3.625341|5.425720|14.015237|15.096211|53.358707| |3.675730|4.140345|4.214195|5.666667|4.983770|0.119385|4.436434|3.590742|3.096408|3.093055|3.589395|4.420717|5.749822|3.277934|4.659533|7.840204|12.277130|18.184115|36.858105| |2.771688|3.010592|3.158390|4.361758|3.894028|0.098801|3.846709|3.177073|2.920746|3.098889|3.718472|4.289147|6.405548|3.810285|4.804792|5.179702|8.441332|9.571949|10.560544|388.023441| |2.509939|2.667336|2.685476|3.671246|3.124696|0.081385|3.012062|2.577646|2.395389|2.514995|2.917939|3.262809|5.136655|3.092917|4.012756|4.028564|7.080445|6.744179|7.369076|94.293261|73.516695| |2.533087|2.826643|3.066482|4.463691|4.207073|0.111028|4.284620|3.396547|3.149658|3.473523|4.464841|5.255154|7.948671|5.105723|5.316283|5.361610|8.724008|8.724681|7.229973|94.161382|13.536264|73.516695| |2.713091|2.816866|3.021484|3.995325|3.440609|0.085342|3.670078|3.224835|3.099197|3.325615|3.824108|4.067589|6.649305|3.680831|5.282026|4.125179|6.411460|7.675386|6.731045|76.586742|13.004029|12.990167|36.858105| |2.619519|2.616816|2.716603|3.494152|2.871308|0.071738|2.995019|2.738130|2.650820|2.776758|3.045320|3.179984|5.312820|2.925165|4.538519|3.377219|5.422936|5.997088|5.360893|49.589807|11.440841|8.789436|13.699140|36.858105| |2.452726|2.394174|2.507476|3.184136|2.561644|0.064131|2.737622|2.601574|2.592081|2.711970|2.864892|2.879434|5.029437|2.690499|4.558657|2.872870|4.596829|4.903555|4.019782|33.734458|7.833619|6.801397|7.966619|13.809416|36.858105| |2.372528|2.332028|2.518536|3.214943|2.600665|0.064999|2.896051|2.817795|2.909473|3.102269|3.204323|3.086861|5.667720|2.918544|5.325221|2.808175|4.413509|4.713520|3.603585|29.778111|6.535813|6.518816|6.850952|7.887879|13.658371|36.858105| |2.440947|2.470403|2.754560|3.591879|3.001576|0.074629|3.490113|3.351702|3.527772|3.922812|4.148392|3.876771|7.380895|3.669275|6.636000|3.199496|4.906067|5.416849|3.954505|33.635315|6.818898|7.809493|7.963051|6.871990|7.958156|13.720725|36.858105| |2.605377|2.718779|3.042847|4.062683|3.546655|0.087675|4.092135|3.670888|3.692190|4.144817|4.789090|4.748272|8.426350|4.366712|6.598696|3.955702|5.962096|7.037659|5.216150|49.416514|8.824593|11.438240|13.756561|7.904358|6.875455|7.890586|13.746904|36.858105| |2.137451|2.068060|2.223164|2.825289|2.232301|0.056386|2.484057|2.495039|2.632905|2.777631|2.758562|2.604772|4.909110|2.506953|4.952992|2.343968|3.732788|3.778669|2.830170|22.358655|5.095694|5.080118|4.440333|5.020579|7.562389|12.618534|7.546869|5.010321|36.858105| |4.214272|6.028682|7.901636|18.905142|7.656223|0.206772|5.519233|5.234627|3.840832|3.238482|3.303679|4.057654|4.825327|2.577117|4.736145|5.301896|8.639709|5.629133|3.255371|18.776836|4.078998|4.858570|2.431657|2.167638|2.003353|2.027813|2.238559|2.478679|1.819422|36.858105| |4.376828|5.900067|7.170419|11.581459|5.353997|0.141257|4.382069|4.521082|3.492498|2.909612|2.870280|3.357012|4.265945|2.259184|4.371936|4.128373|6.826275|4.722398|2.835147|16.581914|3.663770|4.216783|2.198475|2.000134|1.876430|1.902127|2.069464|2.241585|1.733116|15.854346|73.516695| |3.236379|4.295696|5.006140|10.402870|6.418674|0.216875|4.813862|4.341821|3.402767|3.019694|3.170673|3.874071|4.753600|2.615446|4.483202|4.725733|8.320851|4.924043|2.958998|17.735570|3.898383|4.727658|2.247907|1.994987|1.836129|1.856289|2.054873|2.288746|1.668967|12.681527|14.510060|36.858105| |3.000383|3.947383|4.266181|8.308093|5.924372|0.216426|4.299366|3.662900|2.967883|2.752430|3.000285|3.709637|4.628424|2.640681|4.132279|4.977836|9.730760|5.010469|3.104282|18.614642|4.140348|5.011766|2.276275|2.014053|1.826569|1.822560|2.010853|2.273072|1.625889|7.470638|9.726594|13.725394|36.858105| |2.470601|3.077650|3.264117|5.808583|4.325894|0.152393|3.487702|3.049607|2.593354|2.466454|2.688195|3.196666|4.280372|2.489567|3.793412|3.828613|7.515683|4.095601|2.641945|16.548441|3.750640|4.509233|2.031245|1.809901|1.651029|1.649885|1.813190|2.033140|1.484434|5.024041|7.350715|7.994571|13.767746|36.858105| |2.243791|2.720335|2.936973|5.075252|3.703810|0.125483|3.195918|2.919009|2.541129|2.406554|2.560764|2.941107|4.097130|2.351618|3.752739|3.176770|5.937891|3.539640|2.286872|14.633617|3.321758|3.985765|1.844044|1.653465|1.529482|1.544029|1.696144|1.872828|1.405449|4.535212|7.022702|7.040581|8.014461|13.769915|36.858105| |2.326824|2.811743|3.123957|5.403239|3.787287|0.124583|3.363890|3.197894|2.774346|2.561788|2.649884|3.004291|4.167137|2.328140|3.986000|3.097646|5.560973|3.498296|2.223540|14.181114|3.192191|3.834917|1.825653|1.640308|1.532188|1.560654|1.717634|1.876950|1.429424|5.119379|8.182016|7.976694|6.864063|7.989620|14.407813|53.358707| |2.734542|3.402732|3.925518|7.148510|4.681157|0.151919|4.033556|3.884804|3.218947|2.865937|2.928502|3.394032|4.464628|2.441707|4.358043|3.596553|6.276418|3.993292|2.466901|15.355525|3.411261|4.114621|1.988015|1.779773|1.661764|1.696061|1.873036|2.050130|1.547077|7.683774|11.803518|13.699467|8.001752|7.052563|8.429087|19.678937|36.858105| |17.521933|8.755243|6.808661|6.230349|3.908764|0.090688|3.522895|3.517233|2.963807|2.609781|2.607183|2.956468|4.013199|2.114180|4.038497|4.153241|6.565110|6.204934|4.088601|21.699902|4.872314|4.833435|3.073318|3.004254|2.819588|2.706442|2.755916|2.927274|2.414036|3.750199|6.688051|2.956194|2.772342|2.309368|2.100621|2.951154|2.520409|0.500000| |17.542442|8.772561|6.829816|6.232388|3.606380|0.086207|3.248896|3.392360|2.856064|2.452194|2.391807|2.677942|3.673292|1.928080|3.826339|3.516166|5.697897|4.832442|3.123699|17.521007|3.969226|4.073568|2.460003|2.380988|2.277755|2.242995|2.307456|2.415252|2.060170|4.102329|8.022324|3.128168|2.820672|2.351264|2.181369|3.133381|2.717749|0.301425|0.500000| |17.560832|8.790915|5.482528|5.572917|3.390120|0.082615|2.935994|2.891873|2.459255|2.193727|2.209646|2.503777|3.459831|1.859639|3.439967|3.590829|6.110836|4.960078|3.398122|18.452536|4.295582|4.186793|2.508798|2.464586|2.302080|2.193673|2.224833|2.370175|1.988568|3.643293|6.735203|2.931489|2.791457|2.339361|2.118680|2.953893|2.502715|0.301879|0.301972|0.500000| |8.834278|17.542531|8.856042|9.508285|5.574984|0.129258|4.167040|3.750092|2.984917|2.672470|2.809838|3.409853|4.289111|2.336677|4.026569|6.474975|11.005340|8.032392|4.990581|24.199398|5.381756|5.583843|3.052704|2.818468|2.511626|2.400216|2.541276|2.862059|2.094379|5.370225|8.678774|4.156592|4.084475|3.178181|2.729519|3.730072|3.240031|0.209829|0.172713|0.212269|0.500000| |8.856505|17.577141|8.907131|9.497833|4.787753|0.117078|3.735869|3.603178|2.877873|2.506403|2.547573|3.003175|3.884418|2.093626|3.819784|4.625673|7.936281|5.567809|3.479487|18.781887|4.234763|4.497257|2.453095|2.288855|2.109342|2.062571|2.180447|2.381823|1.853495|6.565586|12.372555|4.664562|4.230225|3.281740|2.907542|4.110937|3.685671|0.172773|0.211075|0.212417|0.303437|0.500000| |6.909753|8.869391|17.635729|12.434732|5.842743|0.130397|5.209733|5.802798|4.271527|3.388521|3.251807|3.787432|4.711225|2.414071|4.997497|4.727066|7.082231|6.000856|3.448657|19.436706|4.193342|4.757347|2.691113|2.457243|2.324316|2.369636|2.575128|2.762380|2.139440|7.431274|14.279149|4.698839|3.830035|3.025365|2.821735|4.207717|3.922457|0.169419|0.205367|0.141069|0.173983|0.213720|0.500000| |6.904206|8.852043|17.620491|12.499762|7.506746|0.147961|6.670769|6.550862|4.681271|3.856747|3.874250|4.740193|5.508337|2.815065|5.512914|6.756333|8.985879|9.541216|4.897332|25.653225|5.294415|6.108521|3.558637|3.156455|2.905728|2.936175|3.249475|3.617102|2.543644|5.817732|9.275255|4.178643|3.714931|2.939609|2.656006|3.800930|3.397661|0.204489|0.169967|0.140851|0.211472|0.174336|0.303930|0.500000| |3.852832|4.531256|7.107082|10.094683|6.824566|0.153019|8.923978|17.763176|8.949647|5.667786|4.960820|5.644534|6.525221|3.129741|7.553330|4.697066|6.675945|6.013424|3.334908|20.374285|4.237939|5.289070|2.895756|2.533121|2.423112|2.588286|2.974420|3.192075|2.330076|6.125911|9.890002|4.639522|3.728713|3.057035|2.950029|4.499703|4.156518|0.106961|0.109016|0.088303|0.111737|0.114177|0.217959|0.204823|0.500000| |2.723426|2.929408|3.808157|5.248070|4.044557|0.100924|5.629328|8.852145|17.736599|9.023805|5.661228|4.963551|7.647393|3.343858|13.142606|3.264954|4.871726|4.495744|2.704997|18.165181|3.814895|4.796687|2.745464|2.419183|2.414868|2.723343|3.207521|3.225684|2.543233|3.488008|5.890170|3.077155|2.663257|2.357432|2.347028|3.528875|2.991091|0.078366|0.077611|0.065517|0.075782|0.075175|0.112649|0.115512|0.215072|0.500000| |2.711218|3.197253|3.859141|6.307080|7.116452|0.196890|8.866508|5.657171|4.963424|5.642534|8.982482|17.736698|12.560795|7.377368|7.525931|6.801001|9.663679|8.615501|4.884957|35.015898|6.534478|11.872902|4.274270|3.274466|2.876508|3.001291|3.716992|4.749436|2.501887|3.791977|5.541043|3.765575|3.824856|3.339006|2.988718|4.014390|3.250908|0.078221|0.069987|0.067609|0.093995|0.080653|0.094169|0.117889|0.124014|0.107730|0.500000| |2.009520|2.268932|2.617088|4.093624|3.844407|0.113763|4.558802|3.795683|3.885638|4.898838|7.149172|6.630090|16.446301|17.574630|7.646232|3.637109|5.904922|4.770036|3.124415|24.665269|5.102510|8.166518|3.217548|2.611596|2.393756|2.551565|3.108662|3.652738|2.221329|2.726983|4.202791|2.852108|2.908037|2.783722|2.638522|3.525773|2.682123|0.057478|0.053200|0.051334|0.065331|0.059265|0.067620|0.077186|0.087823|0.090493|0.212096|0.500000| |1.827836|2.003096|2.271065|3.388796|3.038271|0.085833|3.590268|3.185735|3.426211|4.435525|5.866087|4.864433|16.944254|17.651551|7.695170|2.986059|4.861004|4.158918|2.851335|23.903334|5.043668|7.675915|3.328850|2.726112|2.552327|2.782664|3.434735|3.915441|2.438007|2.254029|3.571766|2.292581|2.316498|2.219354|2.120625|2.855894|2.173273|0.052982|0.048575|0.046978|0.057514|0.052028|0.059321|0.067975|0.075101|0.082675|0.144786|0.299564|0.500000| |2.125559|2.367126|2.694131|4.059865|3.839431|0.106941|4.501061|3.681203|3.722918|4.658050|6.905764|6.651149|16.388904|17.612858|7.264607|3.971740|6.330644|5.649731|3.850296|33.938257|6.642927|12.575560|4.421378|3.369698|2.999568|3.189959|4.042657|5.154121|2.655363|2.601251|4.032288|2.615342|2.686238|2.503629|2.314058|3.081854|2.388100|0.062090|0.055494|0.054345|0.069314|0.060513|0.068369|0.082036|0.085360|0.086720|0.229700|0.298676|0.299849|0.500000| |2.021243|2.169056|2.584051|3.714706|3.159968|0.084224|4.197432|4.446861|6.070718|10.114503|7.989675|5.079455|15.921603|5.536672|35.660002|2.835655|4.384994|4.013477|2.583102|19.531582|4.088851|5.512777|3.010084|2.567659|2.568390|3.000570|3.775145|3.788003|2.776325|2.472313|4.033525|2.383754|2.239952|2.080657|2.051854|2.926237|2.314683|0.058941|0.055385|0.050672|0.059569|0.055953|0.070667|0.078682|0.101342|0.151299|0.118967|0.134560|0.145583|0.127197|0.500000| |4.111041|4.755855|5.816293|7.670908|7.320102|0.151344|7.529425|5.762523|4.637899|4.448649|5.128999|6.774811|7.345734|3.824783|6.224641|9.370022|10.876584|26.055569|9.079209|45.304310|7.931743|10.550572|6.089005|4.649362|3.926434|3.923147|4.681675|6.106133|3.103862|4.022985|6.114632|3.448847|3.371332|2.789651|2.476355|3.398527|2.867654|0.128764|0.100374|0.097762|0.143844|0.107234|0.129358|0.218894|0.140554|0.106742|0.180949|0.100227|0.089093|0.119739|0.092574|0.500000| |3.970507|4.201289|4.096526|5.161179|4.221955|0.100799|3.849814|3.299138|2.887429|2.840958|3.170180|3.734152|5.109703|2.852901|4.361141|5.934636|9.494850|12.379769|17.602736|57.529783|12.009833|9.674732|6.612671|5.983439|4.443794|3.809535|3.967463|4.949694|2.989391|3.012360|4.802181|2.687611|2.769137|2.372798|2.082751|2.782198|2.270311|0.128047|0.092257|0.103111|0.139658|0.096488|0.094512|0.133789|0.087215|0.071603|0.109498|0.075111|0.070417|0.090907|0.066702|0.210253|0.500000| |3.498699|4.036905|3.926297|5.469139|4.723323|0.118935|3.970563|3.216992|2.769019|2.760175|3.197647|3.940156|5.196131|3.042875|4.200330|7.626028|14.605880|12.637840|17.654958|58.050348|12.520626|11.400776|5.106991|4.330977|3.363842|3.024445|3.263562|4.127015|2.455462|3.234944|4.982555|3.019260|3.286059|2.807460|2.380337|3.091618|2.493941|0.104022|0.082303|0.092447|0.140056|0.097116|0.089475|0.119401|0.084279|0.067807|0.124012|0.082609|0.074153|0.098482|0.064987|0.179493|0.300100|0.500000| |2.587013|2.571335|2.590918|3.332732|2.701887|0.068183|2.726688|2.482017|2.370177|2.452420|2.687356|2.852873|4.683742|2.631387|4.010338|3.237219|5.364361|5.622074|5.343154|47.399722|13.108844|8.125158|8.901324|17.744076|8.917235|5.620579|4.953842|5.635523|4.092968|2.085366|3.430911|1.929093|1.968875|1.775091|1.612670|2.162544|1.716323|0.081953|0.064699|0.068918|0.078047|0.062817|0.064846|0.082086|0.064698|0.060444|0.082743|0.066517|0.068432|0.083930|0.062975|0.115208|0.173096|0.125364|0.500000| |2.322910|2.228426|2.290751|2.890450|2.280628|0.057544|2.399971|2.306684|2.295531|2.372161|2.471632|2.486797|4.342794|2.339241|4.031064|2.540833|4.137794|4.221981|3.469458|27.895354|6.867112|5.714548|5.661946|8.966468|17.710684|8.896367|5.652975|4.952810|7.024270|1.843000|3.100421|1.691969|1.684216|1.530499|1.422283|1.938908|1.539299|0.073966|0.060209|0.061410|0.064702|0.054974|0.059514|0.072595|0.060610|0.060268|0.069016|0.058624|0.062259|0.071487|0.062923|0.092005|0.108197|0.083263|0.215705|0.500000| |2.306743|2.342716|2.655891|3.493875|2.907764|0.072864|3.492475|3.467863|3.844132|4.420107|4.469262|3.915643|8.090781|3.810382|7.841362|2.976963|4.563231|4.843795|3.398913|27.823717|5.731205|6.855492|5.665335|4.951785|5.649306|8.910625|17.720683|8.953714|6.984102|2.204781|3.640477|2.030898|1.965788|1.782231|1.686412|2.343288|1.875307|0.071414|0.061530|0.058165|0.065937|0.058009|0.070216|0.086163|0.084600|0.098197|0.101115|0.088810|0.100403|0.111652|0.124455|0.116633|0.093267|0.079890|0.107545|0.124097|0.500000| |2.562502|2.748923|3.156251|4.369842|3.979466|0.099177|4.824080|4.165402|4.227549|5.016282|6.345158|6.150550|11.307104|5.726406|7.695649|4.322828|6.398659|7.407774|5.088348|47.008250|8.145447|13.119428|8.914370|5.632776|4.957574|5.629693|8.915099|17.769144|4.088265|2.658407|4.208377|2.483781|2.465915|2.205742|2.032605|2.772636|2.224813|0.078451|0.066293|0.064371|0.080161|0.067406|0.079408|0.103375|0.096862|0.098937|0.171530|0.127211|0.135295|0.194457|0.124955|0.180056|0.125921|0.114523|0.124043|0.107596|0.216059|0.500000| |1.922269|1.870340|1.992121|2.563586|2.028603|0.051907|2.235676|2.226423|2.348459|2.503310|2.513926|2.368971|4.576112|2.383308|4.517204|2.136079|3.451445|3.391151|2.575958|20.794787|4.870810|4.773928|3.991332|4.548326|6.538930|8.872301|6.049473|4.368688|17.542353|1.668358|2.825506|1.548196|1.518611|1.398794|1.326649|1.828452|1.442192|0.059581|0.051459|0.050185|0.052864|0.047011|0.053251|0.062390|0.057808|0.063057|0.064050|0.058684|0.065484|0.070075|0.071428|0.075844|0.074938|0.063146|0.106669|0.181088|0.158577|0.101543|0.500000| |2.100843|2.042827|2.232399|2.847247|2.247180|0.056801|2.553176|2.619156|2.841496|3.017548|2.913063|2.679454|5.183475|2.578887|5.520404|2.305112|3.646149|3.662802|2.662553|20.711536|4.639726|4.856538|3.969881|4.174533|5.584557|8.839078|7.211887|4.737020|17.590981|1.841966|3.127685|1.688460|1.630211|1.489978|1.420857|1.980087|1.576646|0.065410|0.056888|0.053871|0.056842|0.051058|0.060362|0.070861|0.067649|0.077233|0.070232|0.063310|0.069875|0.074410|0.085441|0.084566|0.076822|0.064445|0.096048|0.141197|0.219940|0.112671|0.301762|0.500000| |2.201218|2.086733|2.213918|2.767625|2.147225|0.054057|2.351220|2.380975|2.477046|2.544808|2.504261|2.407855|4.375054|2.247320|4.494642|2.257318|3.612217|3.628290|2.727350|20.762074|4.812933|4.644645|3.976721|4.661593|6.923419|8.850265|5.750035|4.241828|17.565237|1.787247|3.053864|1.627507|1.581435|1.440424|1.363738|1.891186|1.507524|0.069618|0.059132|0.057146|0.058424|0.051887|0.059493|0.070182|0.062855|0.067181|0.064177|0.056207|0.060365|0.065952|0.069068|0.082185|0.081753|0.066094|0.110055|0.202123|0.147000|0.097932|0.302191|0.301431|0.500000| |3.259694|4.404284|4.561888|8.760498|6.456237|0.226505|4.372167|3.602688|2.902332|2.715351|3.008970|3.796653|4.658044|2.682801|4.064968|6.076770|13.195073|5.791918|3.601461|20.830944|4.635238|5.545510|2.476507|2.184342|1.952184|1.923769|2.115870|2.424766|1.697956|6.812133|8.939417|8.869813|17.726034|8.900885|5.670185|6.734837|5.657348|0.083880|0.082690|0.084784|0.133840|0.128726|0.108472|0.111215|0.100845|0.071835|0.111779|0.080949|0.065113|0.077595|0.061467|0.103930|0.087967|0.109077|0.059773|0.049907|0.056714|0.072620|0.044000|0.046911|0.045932|0.500000| |2.301636|2.818848|2.912275|4.985207|3.810918|0.130657|3.117726|2.708296|2.344580|2.270924|2.502896|2.951840|4.070671|2.415232|3.531296|3.598442|7.330878|3.910059|2.597576|16.474173|3.792188|4.497949|1.992181|1.780749|1.615435|1.602233|1.752181|1.971805|1.439279|4.066492|6.115945|5.656763|8.882515|17.740391|8.903792|7.753286|5.047697|0.060229|0.060350|0.061359|0.082554|0.082679|0.074428|0.074217|0.074544|0.059289|0.087726|0.074937|0.060293|0.068164|0.054339|0.073119|0.064644|0.078079|0.048883|0.041706|0.047584|0.059178|0.037872|0.039926|0.038767|0.213088|0.500000| |1.995358|2.364667|2.520078|4.200247|3.106685|0.102560|2.764379|2.549333|2.277130|2.189800|2.327106|2.614146|3.801905|2.203573|3.474641|2.748547|5.153586|3.139043|2.067953|13.482291|3.094697|3.676832|1.704442|1.536938|1.426532|1.439666|1.574967|1.729801|1.317293|3.611999|5.778980|5.038207|5.670387|8.906069|17.707198|12.718261|5.921498|0.052235|0.054020|0.052800|0.066156|0.069764|0.067646|0.064291|0.071017|0.058917|0.074273|0.068763|0.055953|0.059989|0.053191|0.061193|0.052570|0.059878|0.041744|0.036988|0.043578|0.051998|0.034728|0.036985|0.035482|0.124156|0.213981|0.500000| |2.734139|3.322387|3.913022|6.752088|4.283393|0.130440|3.911119|4.015874|3.369485|2.920030|2.881607|3.248862|4.367724|2.338231|4.474109|3.278348|5.569643|3.762807|2.323411|14.541593|3.228613|3.862681|1.923280|1.732608|1.635785|1.682485|1.854655|2.002316|1.548230|7.171596|12.615941|8.914693|5.671997|5.046198|5.915326|12.712847|17.730031|0.069951|0.077268|0.068922|0.085440|0.099711|0.114108|0.094063|0.123768|0.089196|0.084171|0.070466|0.058179|0.063013|0.065158|0.076646|0.060162|0.064291|0.046198|0.042178|0.051985|0.060107|0.039984|0.044098|0.042018|0.124058|0.109163|0.129926|0.500000| 2008.857218 -13253.719897 5207.021329 -240.188277 -6278.029628 4266.595058 -2011.434570 2.001283 3D50E00000000006 4564FB2F2D00E225 44E3E4ADAD83AE99 421D659983FFFFF3 2F6C7501E65971CF 4409486019FA4D43