Version2.4 2021-05-26T15:36:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(O[C@@H]([C@](O1)(C(=O)OC(C)(C)C)[C@@](CBr)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)C C43199055 RHF 6-31G(d) (6D,7F) CC1(O[C@@H]([C@](O1)(C(=O)OC(C)(C)C)[C@@](CBr)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)C C01[X(C22H37Br1O9)] 201 C1 569 BrC[C@]([C@@]1(OC(O[C@@H]1C(=O)OC(C)(C)C)(C)C)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O BrC[C@]([C@@]1(OC(O[C@@H]1C(=O)OC(C)(C)C)(C)C)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O CC(C)(C)OC(=O)[C@H]1OC(C)(C)O[C@@]1(C(=O)OC(C)(C)C)[C@@](O)(CBr)C(=O)OC(C)(C)C InChIKey=CHIWJNMHYYUWKZ-DZKUTHLPSA-N InChI=1S/C22H37BrO9/c1-17(2,3)29-14(24)13-22(32-20(10,11)28-13,16(26)31-19(7,8)9)21(27,12-23)15(25)30-18(4,5)6/h13,27H,12H2,1-11H3/t13-,21-,22+/m1/s1 InChI=1/C22H37BrO9/c1-17(2,3)29-14(24)13-22(32-20(10,11)28-13,16(26)31-19(7,8)9)21(27,12-23)15(25)30-18(4,5)6/h13,27H,12H2,1-11H3/t13-,21-,22+/m1/s1 CC1(O[C@@H]([C@](O1)(C(=O)OC(C)(C)C)[C@@](CBr)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)C C01[X(C22H37Br1O9)] 201 C01 569 BrC[C@]([C@@]1(OC(O[C@@H]1C(=O)OC(C)(C)C)(C)C)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O BrC[C@]([C@@]1(OC(O[C@@H]1C(=O)OC(C)(C)C)(C)C)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O CC(C)(C)OC(=O)[C@H]1OC(C)(C)O[C@@]1(C(=O)OC(C)(C)C)[C@@](O)(CBr)C(=O)OC(C)(C)C InChIKey=CHIWJNMHYYUWKZ-DZKUTHLPSA-N InChI=1S/C22H37BrO9/c1-17(2,3)29-14(24)13-22(32-20(10,11)28-13,16(26)31-19(7,8)9)21(27,12-23)15(25)30-18(4,5)6/h13,27H,12H2,1-11H3/t13-,21-,22+/m1/s1 InChI=1/C22H37BrO9/c1-17(2,3)29-14(24)13-22(32-20(10,11)28-13,16(26)31-19(7,8)9)21(27,12-23)15(25)30-18(4,5)6/h13,27H,12H2,1-11H3/t13-,21-,22+/m1/s1 4747.4467007712 -4098.3421742 1-A 13965.9976 138 431 569 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0.10059 0.99477 1 0.00612 0.00553 0.00456 0.12746 0.11531 0.09504 25.60 34.73 50.77 53.68 60.82 64.63 67.42 79.58 96.67 129.75 147.71 163.73 178.59 185.61 191.76 206.24 228.06 250.02 256.44 269.79 275.19 308.52 320.39 323.83 328.33 331.18 333.24 350.90 375.04 389.75 391.62 394.06 401.85 420.09 433.86 438.58 440.26 440.48 463.61 483.93 498.84 505.01 517.01 543.21 545.90 547.36 560.43 581.69 602.68 626.55 644.68 658.70 675.62 691.31 711.83 717.87 719.26 720.97 737.03 752.64 808.43 860.75 920.58 960.33 1022.93 1082.11 1119.47 1155.04 1167.04 1175.50 1227.73 1231.99 1251.70 1281.71 1305.28 1342.07 1365.40 1378.81 1383.32 1400.67 1455.97 1456.48 1457.30 1458.81 1458.96 1460.79 1465.11 1495.39 1528.49 1529.09 1531.12 1546.47 1551.59 1585.31 1596.09 1616.37 1664.62 1664.99 1666.03 1670.83 1677.49 1678.53 1723.31 1804.43 1814.56 1858.21 1864.03 1904.44 1910.64 1917.44 1934.63 1958.99 1962.68 2007.74 2008.66 2009.56 2014.03 2024.57 2027.30 2028.30 2038.49 2057.10 2075.59 2112.02 2158.58 2214.46 2242.71 2243.35 2243.50 2244.70 2247.92 2248.37 2253.49 2270.50 2279.59 2282.64 2283.25 2303.44 2328.84 2329.24 2329.77 2335.80 2338.18 2348.48 2351.61 2351.77 2352.69 2354.49 2356.02 2360.79 2364.09 2365.77 2365.90 2366.83 2374.77 2374.99 2376.10 2376.40 2400.62 2401.74 2403.57 2877.80 2888.02 2905.26 4621.80 4622.32 4626.29 4627.96 4628.57 4628.86 4637.88 4642.21 4642.55 4643.03 4649.75 4705.23 4707.09 4710.73 4718.68 4726.49 4727.14 4729.10 4729.68 4733.07 4734.59 4736.23 4741.32 4744.51 4747.19 4753.94 4770.80 4785.40 4787.42 4788.54 4788.72 4797.58 4803.01 4809.33 4844.11 4906.25 5899.11 0.623942 0.659255 0.660200 0.556772 -4097.718232 -4097.682919 -4097.681975 -4097.785402 3.468959D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE CC1(O[C@@H]([C@](O1)(C(=O)OC(C)(C)C)[C@@](CBr)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)C C43199055 RHF 6-31G(d) (6D,10F) C1 524.162094 |X|Y|Z| 77.396780 69.146135 56.526252 67.129539 5 6 8 3 2 |36.858105| |12.486927|36.858105| |7.890060|13.597757|73.516695| |6.296210|8.418668|24.346809|36.858105| |6.447687|6.929195|16.614408|17.666321|0.500000| |6.014201|8.250401|14.608577|12.166649|0.243327|36.858105| |7.924219|13.503837|15.257690|8.228001|0.181536|13.711274|73.516695| |5.375264|5.746792|9.648138|7.444069|0.210533|12.287498|14.219511|36.858105| |5.163796|5.144672|7.925272|5.331622|0.151118|7.948506|12.664334|16.054663|73.516695| |4.432610|4.556577|8.469702|6.889716|0.221923|8.006251|9.694888|14.532315|15.211970|73.516695| |3.601983|3.494698|6.328346|4.586543|0.147976|5.035240|7.095091|7.810468|11.980272|23.278484|36.858105| |3.036199|3.020766|5.320784|3.683270|0.109862|4.322811|6.330665|6.328602|11.163726|13.832142|12.486379|36.858105| |3.066769|3.020406|5.752673|4.149871|0.134660|4.115342|5.847721|5.290249|7.971739|14.564738|12.496511|7.599075|36.858105| |3.846482|3.440432|6.007158|4.068085|0.135425|4.307725|6.666045|6.290630|11.119656|13.876148|12.478016|7.513944|7.591630|36.858105| |4.130896|5.449925|9.988200|7.136488|0.152939|12.220354|14.095332|7.549535|10.480815|10.669767|4.252260|4.050592|3.662424|3.492345|36.858105| |3.660800|4.510782|7.424154|4.751742|0.112925|7.450809|11.810999|6.393050|10.838130|8.689906|3.854520|4.019724|3.209324|3.266980|12.139845|36.858105| |2.884627|3.243578|5.525455|3.617896|0.092928|4.922530|7.534889|5.342229|9.584454|8.275102|4.106943|4.925637|3.413994|3.335558|6.438604|9.772915|2539.412838| |3.704862|5.105509|9.705069|5.883222|0.124335|7.265574|11.377100|4.828656|7.331143|7.380193|3.198184|3.053671|2.909236|2.763641|12.311141|7.852800|160.286400|36.858105| |3.936955|5.708643|10.301313|5.413546|0.115647|6.284778|11.869641|4.250980|6.734655|6.401439|2.843960|2.694224|2.580422|2.557572|7.844494|6.262507|132.758327|16.096806|73.516695| |2.976625|3.805912|7.384400|4.573459|0.103098|5.183271|7.966554|3.949599|6.096131|6.458635|2.922949|2.859464|2.755288|2.492084|8.165070|6.225673|153.814054|14.434086|15.204940|73.516695| |2.550722|3.179964|6.114548|3.562782|0.083200|3.802744|6.272578|3.049860|4.873769|5.069984|2.392156|2.351864|2.296059|2.096619|5.086091|4.435641|119.432844|7.776088|11.970317|23.238614|36.858105| |2.575996|3.227727|6.453779|3.590549|0.083641|3.544245|5.975027|2.810375|4.465321|4.731324|2.235053|2.139350|2.177430|1.995793|4.284543|3.592786|97.481700|6.307464|11.175375|13.809580|12.487552|36.858105| |2.196116|2.626886|5.063279|3.041070|0.073655|3.201270|5.150635|2.723530|4.372471|4.690885|2.277540|2.275828|2.238429|1.975783|4.166127|3.749049|112.998368|5.272953|7.966264|14.546261|12.491495|7.592818|36.858105| |2.422437|2.985849|5.431074|3.064953|0.072904|3.395308|5.941788|2.794690|4.637291|4.532040|2.179251|2.181595|2.052666|1.947255|4.398726|4.346205|116.325428|6.280547|11.100375|13.887167|12.479802|7.513680|7.593524|36.858105| |3.475555|4.221913|8.273174|6.333144|0.147647|8.143345|9.519469|6.768617|9.108067|11.778116|4.734478|4.531308|4.315663|3.610810|13.746659|7.677809|216.636501|7.874194|9.626248|13.268651|4.787643|4.033570|4.359129|3.907832|73.516695| |4.260909|5.345519|14.315940|12.483959|0.250277|7.184074|9.426772|5.220872|7.082052|9.697087|3.963745|3.300110|3.949940|3.391786|6.308562|4.162936|113.939543|5.921218|9.140685|9.122373|4.019524|4.203159|3.504390|3.227640|11.822779|36.858105| |3.710352|4.803524|12.092950|7.961300|0.164960|5.924865|8.518359|4.274105|6.122279|7.577539|3.272652|2.872983|3.252516|2.838632|6.101729|4.096877|109.807280|6.932234|10.690714|11.194208|5.022121|5.605310|4.200675|3.786516|11.024817|16.037545|73.516695| |3.707622|4.198853|10.139320|8.148911|0.227520|5.436337|7.378871|4.697381|6.474636|9.783467|4.226698|3.396052|4.607405|3.569763|4.818631|3.484589|103.696131|4.339817|6.787397|7.191533|3.317978|3.432451|3.077542|2.718282|9.914436|14.521814|15.199358|73.516695| |2.906114|3.230165|7.318459|5.093155|0.140459|3.946868|5.696814|3.550183|5.170364|7.289540|3.456861|2.925036|3.958344|2.951961|3.825265|2.933891|91.105760|3.650011|5.750360|6.504134|3.163415|3.329068|3.083657|2.559803|8.060058|7.828026|12.010070|23.326108|36.858105| |2.735713|3.052018|6.970414|4.355644|0.117143|3.368692|5.165842|2.953837|4.443356|5.742865|2.774220|2.400333|3.053874|2.482332|3.263068|2.574440|78.323274|3.327720|5.490731|5.927311|3.051090|3.418472|2.936935|2.482826|6.401329|6.319102|11.213081|13.861074|12.473886|36.858105| |2.668951|2.814925|6.081041|4.150851|0.124137|3.360702|4.956239|3.258919|4.852238|6.967141|3.554517|2.952513|4.406778|3.080283|3.168021|2.558193|82.863673|2.925768|4.692061|5.171120|2.554218|2.632136|2.530216|2.149322|6.606525|5.287788|7.975695|14.550934|12.490866|7.601242|36.858105| |2.580961|2.915677|6.299609|4.349510|0.114578|3.758237|5.383920|3.398653|5.007647|6.878175|3.307740|2.957239|3.750005|2.736675|4.005683|3.097405|99.107735|3.866098|5.844986|7.433224|3.601008|3.641978|3.719558|2.818257|9.084144|6.326706|11.136658|13.869172|12.478757|7.505718|7.597320|36.858105| |7.554480|12.592160|14.243728|5.382208|0.126878|5.407542|14.152283|4.077901|6.877317|6.017478|2.752972|2.482127|2.444167|2.720460|4.411948|3.931172|96.903536|4.689112|10.439626|6.359746|3.170326|3.305151|2.563785|3.101083|6.157993|4.181635|7.337633|5.970598|2.754818|2.714926|2.400059|2.543222|36.858105| |17.577280|8.853184|12.515584|5.348466|0.154752|4.703089|10.147346|4.220038|7.151756|6.618144|3.135262|2.652716|2.781014|3.373128|3.479066|3.078856|84.850936|3.261150|6.228935|4.785342|2.367596|2.448188|2.052235|2.244752|5.378141|3.930151|6.184644|6.221984|2.806473|2.723019|2.598865|2.451042|6.902535|0.500000| |17.590937|8.860878|10.141357|4.878244|0.136622|5.185077|12.681100|4.932125|9.231512|7.068700|3.366237|2.945477|2.816890|3.666179|3.796411|3.598066|97.470335|3.408788|6.487783|4.919576|2.397084|2.383786|2.072411|2.334395|5.639436|3.533457|5.640486|5.550315|2.527721|2.380889|2.347871|2.302501|6.868592|0.299719|0.500000| |17.578148|8.764819|12.634537|6.801684|0.221885|6.354544|12.666140|6.403515|10.632830|9.643105|4.369579|3.493842|3.627178|4.847370|4.189768|3.660980|102.084864|3.563772|6.418193|5.191795|2.468502|2.464400|2.167039|2.311410|6.523707|4.468537|6.603375|7.213797|3.109402|2.839607|2.921113|2.728053|5.491455|0.301080|0.302288|0.500000| |2.847367|2.940781|5.274793|3.690921|0.106279|4.378160|6.238068|5.945959|9.868865|12.827539|8.841216|17.590684|6.909035|5.491332|4.431664|4.383521|198.648965|3.298560|5.036580|5.636063|2.571473|2.295359|2.528055|2.358664|9.437623|3.444889|5.412461|6.273472|3.091294|2.501341|3.062675|3.253518|2.446226|0.069493|0.076143|0.088905|0.500000| |2.664484|2.609783|4.613540|3.105387|0.093188|3.486368|5.296796|4.713337|8.481006|10.042441|8.896635|17.550331|7.020469|6.765776|3.299786|3.294123|136.688735|2.609204|4.154853|4.415513|2.094559|1.922190|2.053669|1.954270|6.522414|2.850183|4.469142|5.311429|2.655631|2.206239|2.755284|2.682083|2.191536|0.066020|0.072279|0.084480|0.300537|0.500000| |3.165872|3.128875|5.307823|3.573429|0.104508|4.405136|6.724842|6.618972|13.577149|12.112762|8.770172|17.644016|5.507439|6.902212|4.107210|4.359553|184.847934|3.084538|4.903471|5.043496|2.338650|2.113936|2.231518|2.214919|7.642445|3.105298|4.879405|5.485290|2.643687|2.224412|2.615316|2.664862|2.584704|0.075677|0.087649|0.100106|0.301597|0.300801|0.500000| |3.251533|3.160747|6.196928|4.488981|0.153850|4.109533|5.888370|4.988700|7.377573|13.264798|8.823239|5.516376|17.576670|6.956104|3.527067|3.004019|103.207620|2.876388|4.597736|4.799596|2.269234|2.200082|2.192456|2.014878|7.217909|4.304625|6.121320|9.455439|4.466048|3.412169|5.237298|3.938149|2.534114|0.083301|0.081036|0.108310|0.141616|0.142156|0.123092|0.500000| |2.694807|2.614340|4.894089|3.371815|0.107193|3.371473|5.006360|4.229598|6.800330|10.281106|8.843833|6.878521|17.564600|6.881180|3.068869|2.792108|103.593231|2.510645|4.014663|4.276304|2.048137|1.945059|2.017580|1.854687|6.274772|3.234144|4.891693|6.596511|3.348085|2.678350|3.812080|3.213872|2.168426|0.068824|0.070021|0.087291|0.168442|0.209190|0.141056|0.300475|0.500000| |2.851939|2.916487|5.646995|4.118415|0.126981|4.116731|5.721665|5.002580|7.391540|13.233114|8.837751|6.985136|17.579166|5.516370|3.896318|3.356434|124.321469|3.092282|4.765479|5.347303|2.484110|2.329245|2.465138|2.185602|8.742049|4.168095|6.187888|8.750927|4.389912|3.260553|4.811824|4.407780|2.392817|0.072003|0.072750|0.091054|0.208957|0.175083|0.141625|0.301013|0.300406|0.500000| |4.158480|3.628900|6.028694|3.948948|0.126831|4.418161|7.179487|6.631494|13.606419|12.226871|8.776077|6.872087|5.505930|17.634731|3.541412|3.449873|118.410796|2.795721|4.660691|4.414407|2.091627|1.980047|1.949495|1.974559|6.220573|3.196789|4.845418|5.739132|2.671827|2.296462|2.710094|2.505560|2.873167|0.098672|0.114765|0.144891|0.141254|0.167269|0.206869|0.141545|0.140764|0.123198|0.500000| |3.195636|2.880934|5.058013|3.332065|0.107891|3.478135|5.502991|4.702535|8.494356|10.044956|8.875316|6.796675|6.955256|17.555131|2.963562|2.826892|101.437630|2.412911|3.986167|3.947420|1.899719|1.810096|1.815002|1.773418|5.518574|2.904748|4.418147|5.509225|2.667233|2.265635|2.850444|2.499669|2.359642|0.080105|0.085902|0.107438|0.139221|0.199800|0.169723|0.172596|0.207271|0.141486|0.301129|0.500000| |4.252237|3.665622|6.537201|4.398006|0.155531|4.314752|6.750793|5.826444|9.704640|12.775533|8.820248|5.483536|6.944267|17.549316|3.380606|3.056926|101.439546|2.739603|4.564851|4.361187|2.077826|2.014838|1.944831|1.916757|6.151818|3.612689|5.272319|6.884633|3.144086|2.663200|3.322566|2.805819|2.854293|0.105583|0.108750|0.155536|0.123343|0.139184|0.140952|0.209563|0.170119|0.141884|0.300230|0.301426|0.500000| |4.127641|4.989908|7.580897|4.659320|0.113383|7.479769|13.975644|6.829691|13.079678|8.586343|3.865707|3.991769|3.115522|3.429172|8.664704|17.739667|261.586133|6.218317|10.071953|8.575150|3.710903|3.169841|3.144553|3.743565|10.351381|3.831683|6.545813|5.762203|2.702244|2.402938|2.401689|2.762192|4.316625|0.093780|0.116976|0.113186|0.114738|0.091133|0.125546|0.081545|0.075948|0.087602|0.104385|0.081640|0.088930|0.500000| |3.228436|3.993103|6.629695|4.029015|0.095726|5.613157|9.651886|4.727999|8.153102|6.865809|3.176261|3.319883|2.747587|2.758133|8.651040|17.705587|265.009840|8.046920|11.914387|12.164846|5.081781|3.897569|4.164495|5.384285|10.916201|3.709157|6.815213|5.525561|2.702062|2.431039|2.343178|2.892928|3.734828|0.077437|0.088842|0.087563|0.100572|0.078289|0.098774|0.072198|0.067616|0.080249|0.080407|0.067739|0.072561|0.301867|0.500000| |2.609130|3.240138|6.770970|3.864287|0.090095|3.628877|5.904638|2.883481|4.494756|4.978703|2.340528|2.206693|2.324000|2.073774|4.282643|3.430347|95.305316|5.895928|9.837010|12.749412|8.832759|17.602912|6.917030|5.488639|7.554271|4.876683|12.386719|7.091906|3.988079|4.182766|3.026478|4.422524|3.205805|0.069294|0.066027|0.070293|0.065900|0.055120|0.059720|0.065886|0.057311|0.069610|0.056437|0.052211|0.058583|0.084124|0.099350|0.500000| |2.267828|2.760792|5.413936|2.990284|0.071659|2.951124|5.052687|2.425092|3.917852|4.116248|1.988660|1.919187|1.950804|1.793255|3.470270|3.050161|86.093598|4.706261|8.505615|10.030432|8.904930|17.547103|6.995064|6.794515|5.911431|3.435329|7.726111|5.207335|2.916008|3.050493|2.367446|3.190824|2.870839|0.060535|0.058920|0.060298|0.057018|0.048455|0.052725|0.054697|0.048999|0.057809|0.049442|0.045635|0.050241|0.075979|0.092422|0.300418|0.500000| |2.836071|3.654572|7.267867|3.827026|0.087797|3.751029|6.597242|2.897991|4.627857|4.779161|2.239313|2.122848|2.152240|2.029216|4.360995|3.658482|95.508936|6.635385|13.667419|12.148787|8.779235|17.648058|5.506699|6.888914|6.885923|4.297658|10.095465|6.066953|3.196606|3.320412|2.550462|3.330562|3.904126|0.075162|0.072690|0.073771|0.062407|0.052837|0.058798|0.060806|0.053333|0.062994|0.056381|0.050826|0.057282|0.092068|0.109833|0.301808|0.300743|0.500000| |2.135099|2.522552|4.759706|2.900044|0.071083|3.158845|5.057907|2.762582|4.486222|4.747702|2.331527|2.386161|2.273131|2.006120|4.199802|3.993746|126.737296|4.969952|7.364512|13.235354|8.810987|5.510814|17.564972|6.958810|7.943842|3.242178|6.605547|5.143442|2.867000|2.661443|2.412752|3.464982|2.437746|0.054957|0.056535|0.058926|0.074624|0.059785|0.065253|0.060877|0.057175|0.069901|0.055171|0.051370|0.054172|0.091355|0.125302|0.141542|0.141884|0.123055|0.500000| |1.993029|2.352331|4.499487|2.642598|0.064913|2.740579|4.520567|2.367209|3.855092|4.084970|2.016952|2.016079|1.991686|1.777510|3.403956|3.149029|96.458432|4.218885|6.796720|10.272598|8.842563|6.874600|17.569000|6.880113|6.214354|3.007512|6.334640|4.777598|2.732132|2.676760|2.282815|3.222990|2.341012|0.052300|0.052538|0.054350|0.061515|0.051142|0.055080|0.054445|0.050433|0.060365|0.048808|0.045712|0.048767|0.075631|0.097177|0.168958|0.208374|0.140855|0.300871|0.500000| |2.204989|2.618003|5.179927|3.180160|0.077476|3.239356|5.071989|2.772273|4.374972|4.902338|2.377627|2.346550|2.388038|2.041990|4.128634|3.540809|109.054204|4.979539|7.382015|13.187915|8.822705|6.971339|17.570948|5.513588|8.169194|3.839939|8.278542|6.115815|3.570915|3.370961|2.865198|4.549988|2.503316|0.057483|0.057158|0.061111|0.072773|0.058930|0.062871|0.065332|0.059505|0.074053|0.055264|0.052150|0.056107|0.082987|0.104312|0.208951|0.174050|0.141598|0.300607|0.300878|0.500000| |2.637035|3.316949|5.889216|3.209218|0.075632|3.582956|6.568064|2.886852|4.832369|4.580647|2.186238|2.168188|2.033309|1.980736|4.497110|4.490546|113.527855|6.629709|13.579982|12.239794|8.777957|6.873466|5.506590|17.632912|6.701921|3.267916|6.761753|4.812196|2.495597|2.440353|2.102706|2.664093|3.581634|0.067750|0.070976|0.068588|0.064182|0.053790|0.061755|0.055762|0.050959|0.059346|0.056303|0.049832|0.054421|0.111386|0.155168|0.141076|0.168162|0.206466|0.141555|0.140744|0.123124|0.500000| |2.159013|2.602162|4.750028|2.655971|0.064333|2.861019|5.036274|2.414608|4.037678|3.976953|1.946823|1.949679|1.855251|1.756225|3.531913|3.491911|98.757723|4.696370|8.487290|10.047331|8.877129|6.797917|6.954745|17.557382|5.774075|2.820759|5.849772|4.323241|2.339855|2.310923|1.985462|2.572979|2.733816|0.056356|0.057967|0.057261|0.058271|0.049117|0.054788|0.050762|0.047008|0.054764|0.049327|0.044832|0.048168|0.086006|0.115567|0.139358|0.200866|0.169191|0.172690|0.207148|0.141436|0.301261|0.500000| |2.347333|2.843968|5.074550|2.927962|0.070557|3.356009|5.822537|2.844804|4.787362|4.592932|2.230272|2.282108|2.082015|1.979725|4.457223|4.766519|131.906358|5.817931|9.679843|12.786279|8.817484|5.482675|6.947433|17.550101|7.104745|3.024814|6.089930|4.608156|2.433420|2.310778|2.077180|2.703384|2.894527|0.059836|0.063551|0.062822|0.069160|0.056710|0.064845|0.056021|0.052452|0.061768|0.056017|0.050226|0.053477|0.111493|0.173675|0.123254|0.139528|0.140827|0.209743|0.170146|0.141849|0.300119|0.301494|0.500000| |3.011835|3.630681|7.068651|5.008026|0.118854|5.983410|7.901800|5.111935|7.443153|8.974213|3.952354|3.941843|3.737651|3.101280|9.907210|6.929128|210.794504|7.728453|9.287956|16.130793|5.579192|4.396928|5.340586|4.369418|35.686653|5.596459|10.194370|8.573407|4.258353|3.467053|3.473306|5.156974|3.132231|0.074293|0.077430|0.086755|0.130173|0.091769|0.104318|0.097601|0.087766|0.119914|0.083710|0.076080|0.082542|0.142423|0.171844|0.127949|0.100687|0.112329|0.156730|0.113781|0.157715|0.111998|0.100086|0.126114|0.500000| |2.889715|3.151146|7.270570|4.381984|0.121982|3.288990|5.158196|2.907396|4.404776|5.625685|2.735571|2.329926|2.990586|2.516728|3.053635|2.440916|73.815888|3.081871|5.219118|5.315492|2.739666|3.070411|2.588712|2.292452|5.800863|5.876468|9.823177|12.789347|8.828191|17.559504|6.942027|5.483172|2.794191|0.081684|0.069052|0.083431|0.066198|0.059728|0.060310|0.094885|0.073258|0.086008|0.064672|0.063742|0.076520|0.064491|0.063725|0.100889|0.076648|0.085352|0.065818|0.066137|0.080293|0.063602|0.059371|0.059374|0.085645|0.500000| |2.370416|2.600369|5.698631|3.508553|0.095585|2.858300|4.449621|2.574202|3.946160|5.010672|2.498587|2.201954|2.786277|2.246957|2.823161|2.297880|71.630872|2.883989|4.773828|5.260319|2.781374|3.095557|2.762774|2.287989|5.570765|4.714530|8.532591|10.045390|8.876976|17.554040|6.988782|6.776713|2.357594|0.065734|0.058294|0.068252|0.063926|0.057025|0.056587|0.085461|0.069378|0.083105|0.057724|0.057907|0.066393|0.059590|0.060867|0.104010|0.078970|0.082191|0.069803|0.071175|0.088626|0.061869|0.060045|0.059454|0.085612|0.301267|0.500000| |2.775339|3.201795|7.393791|4.451854|0.113369|3.478476|5.406716|2.935496|4.432719|5.521050|2.625182|2.311032|2.797839|2.350783|3.460215|2.702359|80.143037|3.717603|6.190818|6.685093|3.512002|4.134943|3.311724|2.788817|6.625284|6.646936|13.736616|12.183260|8.766531|17.642050|5.507724|6.868120|2.914763|0.076574|0.067231|0.078234|0.067269|0.058589|0.060308|0.084825|0.068239|0.083019|0.061417|0.059316|0.069359|0.069557|0.071913|0.147409|0.101071|0.111198|0.081135|0.083812|0.106082|0.076148|0.072095|0.070678|0.101287|0.300750|0.300961|0.500000| |2.675813|2.791635|5.873639|4.132679|0.126262|3.489186|5.045749|3.543379|5.243710|7.957329|4.192266|3.426702|5.643611|3.492352|3.291675|2.682631|89.483603|2.924964|4.624957|5.164976|2.506319|2.509256|2.499757|2.127940|7.073763|4.978333|7.363899|13.182435|8.821162|5.516222|17.584535|6.983387|2.350055|0.071148|0.065978|0.082745|0.099274|0.089083|0.081949|0.188472|0.132592|0.178784|0.083289|0.090177|0.103111|0.069826|0.067348|0.078748|0.062599|0.067406|0.067482|0.062190|0.078096|0.057673|0.054298|0.057929|0.102046|0.141772|0.141935|0.123073|0.500000| |2.324118|2.446576|5.172324|3.396024|0.099178|2.854855|4.313305|2.772212|4.229419|5.774389|3.031295|2.612603|3.713096|2.665598|2.764312|2.289594|75.230688|2.611771|4.220199|4.714959|2.391003|2.475009|2.419226|2.020277|5.717879|4.230954|6.809990|10.278476|8.841544|6.904620|17.565733|6.866967|2.140031|0.063328|0.057622|0.069645|0.075706|0.068902|0.064730|0.117488|0.093092|0.113196|0.065904|0.069926|0.078746|0.059632|0.059137|0.079040|0.062928|0.065927|0.064011|0.061462|0.076551|0.054506|0.052476|0.054239|0.085957|0.170274|0.209023|0.141147|0.300692|0.500000| |2.802022|2.881269|6.248760|4.153833|0.129346|3.269752|4.932506|3.188111|4.790950|6.745800|3.471313|2.822379|4.226310|3.144136|2.966020|2.420922|77.442439|2.745549|4.504226|4.736523|2.357087|2.456288|2.292751|2.017513|5.936148|4.993586|7.392967|13.252404|8.823403|6.960857|17.572812|5.515804|2.445882|0.077135|0.067813|0.085847|0.079194|0.073560|0.070199|0.146082|0.102845|0.120290|0.076644|0.080796|0.097288|0.064295|0.061512|0.077473|0.061612|0.067378|0.060695|0.057978|0.070770|0.055526|0.051892|0.054011|0.085566|0.209367|0.173343|0.141502|0.300994|0.300700|0.500000| |2.609956|3.040466|6.592279|4.438229|0.110859|3.911486|5.653606|3.371279|4.992862|6.509487|3.065236|2.798386|3.306741|2.563112|4.394718|3.332479|103.097704|4.524691|6.711671|9.156092|4.450651|4.555686|4.610454|3.297723|9.800441|6.644780|13.580501|12.174084|8.777235|6.889326|5.508278|17.635782|2.700869|0.068635|0.064862|0.075096|0.085835|0.069889|0.071585|0.094845|0.079240|0.105693|0.066537|0.064666|0.072554|0.081132|0.088195|0.162081|0.108016|0.111682|0.114618|0.108100|0.164832|0.085368|0.083035|0.086302|0.162412|0.141018|0.168721|0.206519|0.141628|0.140871|0.123137|0.500000| |2.263318|2.510396|5.297228|3.504918|0.094134|3.096332|4.592668|2.868456|4.346579|5.754579|2.890061|2.633760|3.317405|2.441320|3.288148|2.666230|87.401575|3.229199|5.009018|6.280489|3.197494|3.262195|3.417987|2.553864|7.181992|4.715682|8.487673|10.049717|8.877213|6.763928|6.996760|17.553666|2.237045|0.060387|0.056723|0.066138|0.080074|0.067851|0.066076|0.096370|0.081720|0.107284|0.062166|0.063149|0.069393|0.066727|0.070239|0.108748|0.082138|0.082307|0.088713|0.084791|0.116420|0.066669|0.066122|0.068220|0.115672|0.139025|0.199281|0.167727|0.174706|0.207979|0.141785|0.300976|0.500000| |2.606928|2.916539|6.132350|4.385056|0.117501|3.991719|5.556225|3.765065|5.488687|7.906746|3.826186|3.452392|4.440573|3.028323|4.326511|3.361889|112.018903|3.914161|5.778340|7.507348|3.501518|3.362626|3.649687|2.791617|10.625991|5.911092|9.776075|12.841379|8.838005|5.486073|6.922459|17.570654|2.504153|0.067662|0.065133|0.077666|0.108623|0.086203|0.084433|0.124876|0.103670|0.154605|0.076195|0.076756|0.084538|0.082358|0.085559|0.108718|0.081815|0.085930|0.098271|0.086620|0.121446|0.073091|0.070081|0.076162|0.166476|0.123352|0.139088|0.140953|0.209458|0.168505|0.141829|0.300749|0.300788|0.500000| 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