Version2.0 2020-02-01T13:23:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 20-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)CC(C)(C)NC(=O)[C@@H](c1c(cc(cc1O)O)O)N(c2ccccc2Cl)C(=O)c3ccco3 C36543942 RHF 6-31G(d) (6D,7F) CC(C)(C)CC(C)(C)NC(=O)[C@@H](c1c(cc(cc1O)O)O)N(c2ccccc2Cl)C(=O)c3ccco3 C01[X(C27H31Cl1N2O6)] 195 C1 606 Oc1cc(O)c(c(c1)O)[C@@H](N(c1ccccc1Cl)C(=O)c1ccco1)C(=O)NC(CC(C)(C)C)(C)C Oc1cc(O)c(c(c1)O)[C@@H](N(c1ccccc1Cl)C(=O)c1ccco1)C(=O)NC(CC(C)(C)C)(C)C CC(C)(C)CC(C)(C)NC(=O)[C@H](N(C(=O)c1occc1)c2ccccc2Cl)c3c(O)cc(O)cc3O InChIKey=RQLDCVSLEUXFAI-HSZRJFAPSA-N InChI=1S/C27H31ClN2O6/c1-26(2,3)15-27(4,5)29-24(34)23(22-19(32)13-16(31)14-20(22)33)30(18-10-7-6-9-17(18)28)25(35)21-11-8-12-36-21/h6-14,23,31-33H,15H2,1-5H3,(H,29,34)/t23-/m1/s1 InChI=1/C27H31ClN2O6/c1-26(2,3)15-27(4,5)29-24(34)23(22-19(32)13-16(31)14-20(22)33)30(18-10-7-6-9-17(18)28)25(35)21-11-8-12-36-21/h6-14,23,31-33H,15H2,1-5H3,(H,29,34)/t23-/m1/s1/f/h29H CC(C)(C)CC(C)(C)NC(=O)[C@@H](c1c(cc(cc1O)O)O)N(c2ccccc2Cl)C(=O)c3ccco3 C01[X(C27H31Cl1N2O6)] 195 C01 606 Oc1cc(O)c(c(c1)O)[C@@H](N(c1ccccc1Cl)C(=O)c1ccco1)C(=O)NC(CC(C)(C)C)(C)C Oc1cc(O)c(c(c1)O)[C@@H](N(c1ccccc1Cl)C(=O)c1ccco1)C(=O)NC(CC(C)(C)C)(C)C CC(C)(C)CC(C)(C)NC(=O)[C@H](N(C(=O)c1occc1)c2ccccc2Cl)c3c(O)cc(O)cc3O InChIKey=RQLDCVSLEUXFAI-HSZRJFAPSA-N InChI=1S/C27H31ClN2O6/c1-26(2,3)15-27(4,5)29-24(34)23(22-19(32)13-16(31)14-20(22)33)30(18-10-7-6-9-17(18)28)25(35)21-11-8-12-36-21/h6-14,23,31-33H,15H2,1-5H3,(H,29,34)/t23-/m1/s1 InChI=1/C27H31ClN2O6/c1-26(2,3)15-27(4,5)29-24(34)23(22-19(32)13-16(31)14-20(22)33)30(18-10-7-6-9-17(18)28)25(35)21-11-8-12-36-21/h6-14,23,31-33H,15H2,1-5H3,(H,29,34)/t23-/m1/s1/f/h29H 4508.9510732770 -2058.0228019 1-A 16050.1440 136 470 606 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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|A|A|A| 12.6070 15.1189 25.7522 36.5578 38.4995 41.6556 46.8877 54.2475 64.2228 76.5199 79.6426 97.0000 105.9054 130.4243 137.8308 158.3027 175.7348 186.8954 198.3224 206.1578 221.4754 224.2568 232.2027 243.0659 258.1631 261.1738 278.7410 284.0098 301.0477 317.3301 322.7176 323.6896 332.6592 343.1042 345.1498 356.9032 365.4479 370.8938 378.0847 394.7711 396.8775 409.5987 412.3088 434.0167 449.7330 451.1209 468.9597 489.7709 507.9678 517.1197 527.2367 538.4758 560.5986 574.0750 579.8479 596.2118 606.6645 615.1820 644.7586 655.1354 658.7545 669.7045 684.1165 700.0775 720.0197 740.7600 766.2098 779.1492 792.3676 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624.45 647.07 649.06 674.73 704.67 730.85 744.02 758.58 774.75 806.58 825.97 834.27 857.82 872.85 885.11 927.66 942.59 947.80 963.56 984.29 1007.26 1035.95 1065.79 1102.40 1121.02 1140.04 1174.93 1198.75 1211.64 1232.90 1251.16 1256.41 1272.67 1280.98 1303.76 1327.50 1365.21 1381.62 1390.74 1403.00 1419.64 1434.17 1450.34 1467.78 1480.33 1485.89 1489.15 1508.08 1523.79 1542.50 1576.91 1586.50 1596.42 1604.75 1619.88 1621.21 1639.56 1657.41 1659.38 1672.73 1680.92 1725.60 1733.31 1748.97 1761.47 1790.75 1822.02 1831.20 1852.36 1858.25 1876.84 1891.08 1907.11 1919.33 1940.66 1958.95 1976.04 1978.42 1985.54 1990.90 1999.72 2010.71 2022.62 2033.95 2121.51 2134.18 2154.31 2172.23 2204.46 2209.23 2237.47 2239.24 2242.63 2245.08 2270.59 2280.12 2287.21 2314.38 2334.01 2344.84 2351.44 2355.12 2356.52 2366.55 2369.73 2374.08 2385.69 2386.66 2388.70 2401.74 2402.10 2407.05 2431.94 2484.28 2552.32 2582.98 2583.26 2588.77 2626.42 2727.83 2760.80 4573.17 4592.81 4600.76 4617.29 4621.42 4645.56 4655.15 4672.90 4681.83 4688.29 4699.50 4704.71 4735.76 4744.33 4768.29 4779.15 4792.23 4845.66 4861.34 4862.20 4871.79 4885.93 4896.16 4920.92 4957.20 5002.44 5010.31 5619.05 5758.52 5914.68 5923.51 0.585730 0.618852 0.619796 0.519028 -2057.437072 -2057.403950 -2057.403006 -2057.503774 3.379775D-04 MUNgauss RevisionA2.0 retrievium 01-Feb-2020 DUDE CC(C)(C)CC(C)(C)NC(=O)[C@@H](c1c(cc(cc1O)O)O)N(c2ccccc2Cl)C(=O)c3ccco3 C36543942 RHF 6-31G(d) (6D,10F) C1 514.187065 |X|Y|Z| 92.562883 71.258107 49.035366 68.642568 20 6 7 8 18 1 1 |36.858105| |12.398823|36.858105| |7.602706|12.377942|36.858105| |7.648480|12.360568|7.678557|36.858105| |7.346215|12.232405|7.404327|7.711595|36.858105| |5.814571|6.914211|5.542273|4.803990|12.275762|36.858105| |5.101576|5.822803|5.819475|4.053923|7.366145|12.421124|36.858105| |4.050432|4.783783|4.105882|3.890454|7.675022|12.383074|7.616998|36.858105| |6.073091|5.788384|4.476561|4.266616|7.797163|12.902407|7.704129|7.763625|53.358707| |4.526498|4.174495|3.529963|3.294675|5.084445|7.566256|6.206741|6.146519|19.407249|36.858105| |3.706784|3.580273|3.216237|2.875874|4.345978|6.541027|6.257438|6.050140|11.506143|15.713583|73.516695| |4.144013|3.563077|3.011411|2.962797|3.975279|4.944939|4.272715|4.234684|10.714413|12.380967|14.103429|36.858105| |4.366992|3.710904|3.018249|3.172736|4.130036|4.802264|3.914142|4.150331|10.336353|8.974856|10.635666|17.779761|0.500000| |4.407044|3.530766|3.074629|2.907633|3.623651|4.262371|4.016356|3.482714|8.279627|7.576595|10.358336|12.488189|0.253989|36.858105| |4.411148|3.383722|2.913421|2.901625|3.305583|3.587626|3.324936|2.974695|6.538440|5.198450|7.386134|7.590160|0.211960|13.566140|36.858105| |4.034562|3.084887|2.763660|2.688884|2.888012|3.043830|2.944570|2.541787|5.137332|3.945187|5.980494|5.003919|0.136830|7.790789|13.824155|36.858105| |3.745301|2.941396|2.758181|2.519213|2.740854|2.941323|2.997445|2.451231|4.786543|3.728189|5.918481|4.399527|0.113014|6.785661|8.008947|13.718271|36.858105| |3.755606|3.040469|2.901507|2.525435|2.911034|3.272320|3.471412|2.703326|5.337692|4.344121|7.109837|4.920706|0.117548|7.822452|6.923727|7.925075|13.835445|36.858105| |4.056224|3.328015|3.076178|2.702302|3.344153|3.982521|4.144880|3.246743|6.976441|6.234795|9.913730|7.316482|0.156179|13.601630|7.987850|6.849197|7.943376|13.669566|36.858105| |3.629075|3.178357|3.037497|2.560836|3.305372|4.142004|4.633379|3.453253|6.840963|6.418400|11.939418|6.247416|0.131514|7.869233|5.224612|4.634552|5.343194|8.316963|14.277070|73.516695| |3.226885|2.599777|2.503420|2.285216|2.384290|2.497283|2.572521|2.120128|3.894383|2.966083|4.833807|3.359139|0.088461|4.590296|5.312107|8.175265|14.179756|7.997746|5.229366|7.248382|73.516695| |4.220810|3.313514|2.761571|2.962536|3.289281|3.449332|3.041008|2.946098|6.272699|4.780071|6.708430|6.975390|0.242440|8.117536|14.118137|8.061974|5.265778|4.646018|5.283566|7.113748|7.216503|73.516695| |3.140879|2.821353|2.467728|2.439788|3.151479|3.836174|3.446981|3.611431|7.128367|7.626371|11.999451|12.938578|0.258147|7.544527|5.568774|4.093075|3.708560|4.117316|5.634050|9.403842|5.256134|9.605975|53.358707| |2.727073|2.457244|2.228004|2.133935|2.671515|3.210650|3.079298|3.030468|5.530982|5.563266|10.007444|7.517813|0.159487|6.468750|4.894811|3.924810|3.775068|4.335910|5.760659|10.146265|5.413580|7.837764|18.096057|36.858105| |2.522863|2.336443|2.171965|2.017732|2.564347|3.145894|3.146981|3.040879|5.136622|5.126804|10.570379|5.658377|0.123002|5.033786|3.848677|3.271208|3.314060|3.954408|5.113444|10.476998|4.899247|6.116690|10.634950|13.743712|36.858105| |2.204930|2.048973|1.945162|1.790459|2.201810|2.625318|2.696904|2.540287|4.110783|3.814282|7.688516|4.122032|0.095000|4.012459|3.270876|2.942231|3.077485|3.649267|4.325898|8.865241|4.708583|5.177617|6.979330|7.900056|13.765992|36.858105| |2.074171|1.901323|1.804270|1.682255|2.002199|2.319481|2.361747|2.217745|3.637923|3.259806|6.196827|3.696324|0.088006|3.795274|3.263907|3.025538|3.171307|3.634995|4.057228|7.665070|4.935090|5.164072|6.146102|6.837170|7.958961|13.779852|36.858105| |2.176907|1.959602|1.831219|1.743828|2.046938|2.338981|2.326229|2.209148|3.759490|3.353993|6.061183|4.081942|0.098605|4.290776|3.818232|3.507317|3.553671|3.906501|4.337338|7.499019|5.443677|6.064359|6.945029|7.894343|6.899323|7.954720|13.766574|36.858105| |2.480416|2.206296|2.016654|1.951457|2.328553|2.685447|2.597860|2.516265|4.496264|4.146106|7.212478|5.552722|0.131041|5.611386|4.833513|4.101402|3.927049|4.283398|5.127958|8.401811|5.737155|7.743387|10.509235|13.699952|7.988132|6.898689|7.958015|13.776979|36.858105| |2.494710|2.179459|1.959152|1.970144|2.259097|2.505386|2.358322|2.329504|4.211762|3.650190|5.968595|5.072993|0.134674|5.277633|5.406455|4.581972|3.990152|3.918608|4.396621|6.669838|5.909268|9.521734|8.485034|6.975586|4.759117|4.233259|4.788522|7.100549|10.947253|448.794386| |2.772788|2.565212|2.234032|2.290250|2.906914|3.429532|3.002611|3.431229|6.020412|5.721577|9.362136|7.571958|0.202485|5.062925|4.297476|3.329688|2.990155|3.192336|4.020097|6.861451|4.419950|8.140162|18.894639|8.086932|5.919413|4.288393|3.863174|4.315396|5.990383|44.086572|36.858105| |2.365136|2.210434|1.965072|2.002609|2.468862|2.858870|2.581196|2.909211|4.746872|4.319612|7.528689|5.283881|0.140396|4.056348|3.574915|2.917590|2.671869|2.836360|3.432455|5.974694|4.045700|6.674133|11.552317|7.322256|5.763588|4.440248|4.090134|4.562595|6.039560|43.455745|15.881628|73.516695| |2.887240|2.728855|2.314644|2.489217|3.173025|3.636037|3.010509|3.764303|6.305945|5.389632|8.387988|6.340649|0.201392|4.317042|3.880067|3.037546|2.684991|2.800079|3.425857|5.810857|4.033529|7.845007|10.337349|5.060369|4.173655|3.254314|2.971364|3.245129|4.154105|33.541811|12.799108|14.814464|36.858105| |2.490078|2.396331|2.055439|2.256079|2.752726|3.028816|2.547954|3.219586|4.908412|3.947422|6.416257|4.397418|0.137491|3.342945|3.144901|2.576297|2.292890|2.353124|2.768220|4.728103|3.534487|6.404844|6.908683|3.905893|3.373185|2.776909|2.588212|2.807605|3.428516|28.569930|7.550924|12.053651|14.172895|36.858105| |2.583648|2.545308|2.147789|2.456185|2.968208|3.146738|2.570555|3.415451|4.935794|3.699138|5.921970|3.883445|0.124765|3.034413|2.905744|2.413708|2.147222|2.186827|2.538207|4.334585|3.340921|5.971529|5.509403|3.182176|2.830688|2.375683|2.214926|2.370941|2.822635|23.625773|5.182341|8.103935|8.572322|13.297216|36.858105| |3.123097|3.097737|2.529071|2.951250|3.747538|3.974543|3.071200|4.301048|6.405706|4.576602|6.977409|4.619299|0.154795|3.480813|3.285309|2.670971|2.362911|2.420804|2.856774|4.855359|3.629199|6.771964|6.035323|3.348356|2.973440|2.453389|2.260475|2.410341|2.897713|23.929855|5.284543|7.635840|8.784383|8.624243|14.209275|36.858105| |3.450839|3.306193|2.697734|2.995277|4.010647|4.579893|3.516191|4.731471|8.256646|6.405961|9.163067|6.754817|0.236405|4.501320|4.041910|3.133084|2.754941|2.871530|3.530945|5.959831|4.121257|8.252167|8.653906|4.323406|3.706692|2.928210|2.657928|2.856300|3.563888|28.772653|7.585184|9.589436|14.085042|8.628880|8.625276|14.217492|73.516695| |17.590224|8.686732|6.823158|5.503999|6.551604|6.219828|5.925875|4.156211|9.398696|5.284133|7.619983|4.750025|0.131926|5.347890|5.066757|4.603251|4.431385|4.640910|5.114156|8.024020|6.533207|7.973577|4.739816|3.053997|2.835525|2.462963|2.300902|2.405276|2.747708|21.682318|2.962032|4.465910|2.984689|2.523220|2.552257|3.060165|6.230525|0.500000| |17.513387|8.713715|5.491392|6.954726|6.688813|5.436292|4.430201|3.982151|8.571599|4.702802|6.595504|4.555871|0.142198|4.710066|4.944608|4.316310|3.762201|3.662237|4.029090|6.226448|5.682597|9.022243|4.620977|2.863819|2.581504|2.232301|2.113279|2.253674|2.613637|21.675109|3.031168|4.534812|3.229378|2.771186|2.902238|3.570400|7.015215|0.301146|0.500000| |17.544636|8.810499|7.017641|7.038589|5.408580|4.418491|4.140800|3.315797|6.174894|3.660912|5.530429|3.488838|0.101522|3.837735|4.017803|3.923931|3.690656|3.568851|3.640087|5.756669|5.885038|6.809865|3.742075|2.450050|2.273690|2.027162|1.934248|2.033589|2.281951|18.644724|2.448996|3.784422|2.525967|2.220994|2.296970|2.704467|5.213391|0.302487|0.303191|0.500000| |6.897580|8.800506|17.541220|7.183610|5.439100|4.277011|4.453618|3.343185|5.067707|3.052602|4.954285|2.714919|0.076096|2.838514|2.771733|2.705614|2.709085|2.781932|2.853590|4.922421|4.475133|4.677861|3.067486|2.058430|1.995914|1.809720|1.700560|1.734273|1.895900|14.966126|2.048054|3.232332|2.112568|1.895248|1.976009|2.292983|4.311802|0.167070|0.141394|0.209701|0.500000| |5.498979|8.734355|17.534827|6.886877|6.899624|5.181182|5.453943|4.153269|5.434196|3.210541|5.341329|2.715235|0.075546|2.703698|2.546527|2.406536|2.402406|2.537077|2.703068|4.843510|3.910401|4.347900|3.105223|2.067657|2.039135|1.834848|1.694688|1.706844|1.867727|14.496727|2.099543|3.311435|2.191903|1.970940|2.076588|2.430353|4.527984|0.139840|0.122323|0.141872|0.302060|0.500000| |6.926933|8.670182|17.622022|5.519741|6.483542|5.768096|7.056566|4.150134|6.370774|3.788189|6.255594|3.172553|0.085782|3.303726|3.046274|2.904593|2.983762|3.236095|3.432804|6.165837|4.780446|4.975437|3.523837|2.369198|2.337688|2.097627|1.932637|1.944900|2.131712|16.334725|2.300221|3.598177|2.332921|2.049425|2.104410|2.462034|4.770438|0.203602|0.139960|0.174751|0.303260|0.301824|0.500000| |6.952141|8.713677|5.524286|17.536607|6.986792|4.579648|3.685623|3.834033|5.888694|3.348420|5.100745|3.088874|0.094794|2.973684|3.020855|2.751436|2.510716|2.483878|2.680801|4.452700|4.023107|5.685804|3.462875|2.189936|2.041167|1.799832|1.697759|1.776625|2.007150|16.527665|2.422636|3.744634|2.692707|2.455356|2.723864|3.318769|5.859195|0.140946|0.208406|0.173215|0.144545|0.140176|0.122366|0.500000| |5.514364|8.719470|6.945139|17.534945|7.085914|4.509395|3.867617|3.892617|5.188995|3.008633|4.797935|2.667035|0.078437|2.575909|2.532550|2.351626|2.231201|2.261540|2.423651|4.171644|3.628044|4.589378|3.062069|1.982409|1.898958|1.693801|1.584716|1.628766|1.808582|14.532230|2.139344|3.358200|2.334377|2.144657|2.353923|2.800916|4.958868|0.122257|0.141159|0.142542|0.176386|0.204862|0.140274|0.301486|0.500000| |6.980670|8.749205|7.061387|17.547138|5.537669|3.919077|3.517187|3.224204|4.918273|2.909587|4.565524|2.691066|0.079515|2.722329|2.777697|2.652739|2.500465|2.464712|2.566327|4.285423|4.111555|5.002899|3.049701|1.992094|1.882554|1.690769|1.604465|1.666833|1.849349|15.098661|2.096078|3.292358|2.244756|2.048755|2.204289|2.588079|4.684196|0.141790|0.172190|0.212324|0.219624|0.170925|0.143781|0.301777|0.301751|0.500000| |5.463946|8.920382|7.096802|7.060709|17.543049|8.960711|6.601364|7.499054|7.757141|4.168711|6.745827|3.315697|0.094470|3.036495|2.786221|2.487445|2.395053|2.545716|2.871697|5.159199|3.777073|4.931362|3.746690|2.383923|2.330675|2.030484|1.844478|1.866337|2.091738|16.206995|2.588659|3.989927|2.824196|2.514198|2.732653|3.363103|6.181657|0.137907|0.137917|0.123500|0.145273|0.218355|0.167806|0.169928|0.214627|0.143902|0.500000| |6.543354|8.865197|5.497867|7.534809|17.490324|8.970118|5.479196|7.111144|10.133183|4.957015|7.316349|4.064029|0.123434|3.576118|3.341960|2.867577|2.645329|2.751939|3.168184|5.446820|4.088158|6.183850|4.414218|2.683240|2.526263|2.155875|1.973641|2.041204|2.347063|18.644143|3.076298|4.605014|3.503612|3.062231|3.416469|4.490867|8.232668|0.155933|0.192004|0.137736|0.124228|0.144440|0.134211|0.227043|0.190054|0.148260|0.306409|0.500000| |4.554053|5.647124|6.327837|4.082296|6.907703|8.817068|17.563531|6.777617|7.613774|4.631682|8.404894|3.449938|0.090118|3.284631|2.830744|2.571326|2.625321|2.973986|3.395844|6.655507|4.116137|4.679645|3.939452|2.628678|2.702304|2.375087|2.102058|2.061582|2.265645|16.694786|2.594786|4.046293|2.633964|2.290962|2.343114|2.761026|5.416178|0.138010|0.108655|0.107071|0.131203|0.181536|0.211663|0.099995|0.113043|0.098735|0.199250|0.140753|0.500000| |4.093806|4.408475|4.397208|3.318170|5.431963|8.817793|17.635794|7.173195|9.261774|6.505325|13.637656|4.352942|0.106525|4.003140|3.213804|2.835386|2.923024|3.471901|4.242586|9.066424|4.450301|5.181885|4.975410|3.336585|3.549847|3.020003|2.572647|2.481183|2.752387|19.436255|3.158112|4.863253|3.081666|2.593174|2.561987|3.007611|6.213356|0.132020|0.103203|0.095557|0.099546|0.117276|0.144096|0.086151|0.088879|0.081649|0.140244|0.123939|0.301474|0.500000| |5.889476|6.108386|6.406997|4.097831|6.478082|8.744477|17.606749|5.515620|9.703584|5.919634|10.099879|4.361602|0.109918|4.433428|3.670977|3.315953|3.457927|4.079127|4.792123|9.381556|5.231402|5.759312|4.669043|3.119317|3.145022|2.727585|2.424249|2.404912|2.677152|19.601866|2.913198|4.461041|2.863290|2.418794|2.414512|2.854942|5.850060|0.210326|0.134462|0.133338|0.138518|0.152280|0.242346|0.102220|0.104714|0.101963|0.154037|0.137319|0.300694|0.302838|0.500000| |3.884760|4.530284|3.716903|3.934718|7.146987|8.756785|5.511778|17.552106|9.517559|5.569165|9.183751|4.146561|0.118726|3.333060|2.927270|2.480534|2.341060|2.524016|3.004124|5.500870|3.611894|5.339489|4.886118|2.941462|2.878338|2.403481|2.126345|2.147494|2.467005|18.760567|3.558986|5.335003|4.150013|3.612689|4.023263|5.316696|9.796407|0.106721|0.110974|0.088924|0.086358|0.104151|0.100644|0.112735|0.109740|0.089623|0.191822|0.219634|0.139996|0.143611|0.122800|0.500000| |3.531336|3.916624|3.494937|3.232657|5.538295|8.782842|6.908185|17.623836|9.636047|6.707810|13.431869|4.459936|0.116308|3.567901|2.962115|2.518688|2.452437|2.752465|3.367244|6.591528|3.754236|5.150631|5.403376|3.354940|3.470118|2.849303|2.426955|2.381974|2.712163|19.584582|3.768510|5.697040|4.008422|3.376068|3.448768|4.209632|8.561114|0.103876|0.097059|0.082006|0.081235|0.097052|0.101172|0.088996|0.088941|0.076934|0.147779|0.145510|0.164481|0.214206|0.142853|0.301171|0.500000| |3.669654|4.536753|4.151610|3.799773|6.910928|8.783180|7.006920|17.550540|7.625735|4.646687|8.418955|3.436974|0.093618|2.963386|2.587557|2.271781|2.219002|2.435621|2.840174|5.406869|3.474311|4.536448|4.099148|2.617802|2.664952|2.289105|2.012476|1.988066|2.220634|16.553531|2.884092|4.475110|3.124343|2.767524|2.952256|3.575978|6.698032|0.102958|0.097655|0.085892|0.093484|0.123424|0.115456|0.101064|0.110433|0.087982|0.223381|0.169449|0.204102|0.181082|0.140859|0.300933|0.301143|0.500000| |7.183536|6.252198|4.467010|4.743309|7.731194|8.997278|5.879121|6.114093|26.116021|9.598170|10.924242|7.714766|0.244187|6.220901|5.363292|4.106533|3.647742|3.874418|4.884923|7.902492|5.265377|9.698400|6.826254|3.838281|3.428118|2.789150|2.536885|2.682734|3.235556|25.525587|4.339669|6.062540|4.720772|3.706500|3.806112|5.059110|11.410613|0.211281|0.235310|0.143499|0.105933|0.108414|0.124232|0.139965|0.112970|0.110892|0.151493|0.231032|0.129431|0.142022|0.161668|0.170127|0.150537|0.131135|0.500000| |3.701064|2.861769|2.565945|2.580636|2.643780|2.704568|2.592823|2.297504|4.437061|3.321027|5.097785|4.091617|0.116834|5.568717|8.876429|17.730317|8.915009|5.648586|4.940725|6.533053|13.294818|12.877470|4.745897|3.333039|2.812539|2.572354|2.676293|3.103488|3.548937|33.403285|2.975939|4.719071|2.782700|2.422788|2.294841|2.509592|5.090219|0.111591|0.111553|0.103424|0.070998|0.062474|0.073528|0.074038|0.062707|0.071818|0.063964|0.073825|0.064154|0.068939|0.080003|0.063053|0.062742|0.057645|0.099767|0.500000| |3.340903|2.804273|2.773588|2.340632|2.682458|3.014378|3.322365|2.528381|4.690948|3.781934|6.498047|4.031362|0.097081|5.615879|4.979671|5.622833|8.869856|17.729334|8.967445|13.747782|12.683925|6.545324|4.805117|3.820467|3.695064|3.566160|3.546658|3.641429|3.776417|26.992918|2.817222|4.545854|2.484244|2.121494|1.980270|2.173754|4.510491|0.113011|0.088368|0.089553|0.074286|0.068080|0.087179|0.063147|0.058992|0.063840|0.066451|0.069601|0.080551|0.093646|0.108706|0.064938|0.071901|0.064367|0.092657|0.123830|0.500000| |3.592810|3.243068|3.048187|2.607309|3.527063|4.656910|5.117540|3.960828|7.873327|8.294148|17.469707|7.216181|0.144281|7.513570|4.872058|4.107158|4.414118|6.069315|9.861692|35.552483|6.152384|7.010260|8.412675|6.414828|6.968843|5.351901|4.334995|4.174993|4.822143|30.044795|4.400734|6.670690|3.680631|2.931796|2.668597|3.013911|6.725080|0.121767|0.097481|0.087112|0.075832|0.076989|0.095757|0.071252|0.066899|0.067081|0.085955|0.091182|0.111788|0.164946|0.152574|0.097316|0.122406|0.094679|0.134850|0.092766|0.155098|0.500000| |3.009827|2.483276|2.446681|2.172338|2.287587|2.416250|2.547313|2.061708|3.697994|2.831479|4.720657|3.116977|0.080802|4.148175|4.459300|6.073900|10.043968|7.850031|5.000471|7.328855|35.742480|6.188835|3.787931|2.920071|2.718110|2.662267|2.785137|2.993628|3.070459|24.441350|2.344550|3.846900|2.131067|1.873624|1.770840|1.918420|3.862037|0.095785|0.081185|0.085617|0.068322|0.060074|0.073947|0.059137|0.054406|0.061053|0.057177|0.060651|0.064074|0.069464|0.081266|0.054408|0.057346|0.053186|0.076670|0.152120|0.229468|0.095775|0.500000| |3.850305|3.039928|2.570008|2.798042|2.945921|3.004495|2.691126|2.601101|5.188291|3.869637|5.654682|5.188291|0.170644|6.047457|10.025666|7.954634|5.050314|4.205478|4.448793|6.138013|7.301413|35.749443|5.925742|3.755331|3.008787|2.626276|2.671219|3.145768|3.869713|39.779724|3.863443|5.884408|3.772000|3.232304|3.053209|3.373915|6.946058|0.110706|0.127433|0.101071|0.069281|0.063440|0.071746|0.084130|0.067827|0.075282|0.070157|0.086504|0.065975|0.071462|0.079769|0.073880|0.070705|0.063728|0.123453|0.235147|0.094609|0.093201|0.096149|0.500000| |2.604543|2.466198|2.294864|2.110983|2.777768|3.523930|3.539133|3.498219|5.663688|5.821660|13.575368|5.661569|0.122981|4.716331|3.574112|3.022591|3.055517|3.654830|4.773597|10.321926|4.546029|5.769952|9.893628|9.004065|17.765126|8.899370|5.651918|4.969609|5.686451|31.568823|5.800421|9.632696|4.317493|3.462371|2.951808|3.148359|7.011360|0.081253|0.073460|0.064422|0.057819|0.060332|0.068828|0.059066|0.055589|0.054155|0.070496|0.075500|0.083676|0.114802|0.095450|0.090416|0.115310|0.084361|0.101242|0.072594|0.095812|0.208448|0.070276|0.078533|0.500000| |2.067965|1.952846|1.880429|1.709033|2.103740|2.509606|2.629724|2.462714|3.806656|3.448807|7.148400|3.526716|0.082815|3.423684|2.832850|2.591783|2.741505|3.249852|3.755480|7.959189|4.281918|4.521311|5.674691|5.636245|8.934848|17.727196|8.910623|5.650018|4.966189|27.434247|3.631769|6.677072|2.890898|2.515900|2.191718|2.262269|4.710850|0.063920|0.057533|0.052996|0.048554|0.049702|0.056528|0.047401|0.045276|0.044858|0.054568|0.056777|0.065165|0.082926|0.073257|0.064142|0.077257|0.062546|0.071105|0.063627|0.090802|0.133741|0.068079|0.064271|0.214639|0.500000| |1.884650|1.738651|1.668213|1.549878|1.816478|2.077785|2.135718|1.994812|3.189933|2.779912|5.279593|3.071402|0.074846|3.189125|2.825614|2.696348|2.863891|3.233785|3.452516|6.531134|4.599957|4.506030|4.898034|4.933698|5.650093|8.906329|17.721042|8.941845|5.660259|31.775149|3.187340|6.022317|2.553362|2.275682|1.976822|2.006867|4.111102|0.057707|0.053013|0.049307|0.043951|0.043720|0.049599|0.043294|0.040734|0.041299|0.046891|0.049602|0.053529|0.064367|0.060969|0.053119|0.060247|0.050932|0.062030|0.067390|0.090120|0.100891|0.073061|0.065825|0.124035|0.214053|0.500000| |2.027727|1.820722|1.707204|1.638912|1.878165|2.104496|2.090670|1.985502|3.341553|2.888273|5.137097|3.484512|0.087220|3.743491|3.530699|3.373603|3.409313|3.588210|3.769277|6.350494|5.397835|5.691789|5.647270|5.638352|4.968512|5.648981|8.895896|17.751357|8.959666|54.775628|3.664852|6.922282|2.881906|2.558973|2.186604|2.204361|4.548052|0.061650|0.058403|0.053273|0.045328|0.044222|0.050095|0.046448|0.042521|0.043850|0.047758|0.052176|0.052036|0.061176|0.060290|0.053937|0.058736|0.050068|0.067176|0.085202|0.093686|0.096351|0.082271|0.084364|0.107857|0.124033|0.214821|0.500000| |2.206458|2.119788|1.851290|2.005210|2.391774|2.620079|2.270276|2.773834|4.159703|3.374810|5.652874|3.782596|0.113938|3.006044|2.854402|2.390816|2.147421|2.197710|2.546045|4.371606|3.346803|5.723488|6.169985|3.734626|3.257685|2.748069|2.598661|2.825408|3.388640|28.386510|6.673318|12.639651|8.870649|17.832017|8.442638|5.862467|10.469604|0.062356|0.067403|0.055444|0.047793|0.049451|0.051483|0.060084|0.053183|0.051173|0.061380|0.072642|0.057198|0.064675|0.060293|0.084544|0.081395|0.067632|0.086432|0.062918|0.055500|0.074601|0.049459|0.081900|0.091190|0.069234|0.063882|0.072208|0.500000| |2.333593|2.325826|1.984435|2.293987|2.675855|2.767210|2.298821|3.019858|4.187144|3.084436|5.032422|3.193717|0.100544|2.603632|2.531168|2.155096|1.930846|1.953705|2.225331|3.814899|3.047885|5.159071|4.501743|2.716139|2.459838|2.113859|1.988325|2.116218|2.463536|20.726761|4.071967|6.699393|5.841619|8.459446|17.806294|8.825700|10.452374|0.063413|0.072216|0.058439|0.051108|0.053761|0.053661|0.070724|0.061773|0.057587|0.069764|0.085232|0.059197|0.063417|0.060074|0.098377|0.083845|0.074592|0.089533|0.057616|0.049590|0.064557|0.045005|0.074992|0.070970|0.054733|0.049909|0.054863|0.192491|0.500000| 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