Version2.0 2020-02-04T22:40:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 13-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc2=[NH+]CC(=c2c1)CCN3[C@@H](C(=O)N(C3=S)c4ccccc4)CC(=O)Nc5ccccc5 C63529258 RHF 6-31G(d) (6D,7F) COc1ccc2=[NH+]CC(=c2c1)CCN3[C@@H](C(=O)N(C3=S)c4ccccc4)CC(=O)Nc5ccccc5 C01[X(C28H27N4O3S1)] 183 C1 598 COc1ccc2=[NH+]CC(=c2c1)CCN1[C@H](CC(=O)Nc2ccccc2)C(=O)N(C1=S)c1ccccc1 COc1ccc2=[NH+]CC(=c2c1)CCN1[C@H](CC(=O)Nc2ccccc2)C(=O)N(C1=S)c1ccccc1 COC1=CC2=C(CCN3[C@H](CC(=O)Nc4ccccc4)C(=O)N(C3=S)c5ccccc5)C[NH+]=C2C=C1 InChIKey=JFORNYPTVAVFBC-RUZDIDTESA-O InChI=1S/C28H26N4O3S/c1-35-22-12-13-24-23(16-22)19(18-29-24)14-15-31-25(17-26(33)30-20-8-4-2-5-9-20)27(34)32(28(31)36)21-10-6-3-7-11-21/h2-13,16,25H,14-15,17-18H2,1H3,(H,30,33)/p+1/t25-/m1/s1 InChI=1/C28H26N4O3S/c1-35-22-12-13-24-23(16-22)19(18-29-24)14-15-31-25(17-26(33)30-20-8-4-2-5-9-20)27(34)32(28(31)36)21-10-6-3-7-11-21/h2-13,16,25H,14-15,17-18H2,1H3,(H,30,33)/p+1/t25-/m1/s1/fC28H27N4O3S/h29-30H/q+1 COc1ccc2=[NH+]CC(=c2c1)CCN3[C@@H](C(=O)N(C3=S)c4ccccc4)CC(=O)Nc5ccccc5 C01[X(C28H27N4O3S1)] 183 C01 598 COc1ccc2=[NH+]CC(=c2c1)CCN1[C@H](CC(=O)Nc2ccccc2)C(=O)N(C1=S)c1ccccc1 COC1=CC2=C(CN[C@H]2C=C1)CCN1[C@H](CC(=O)Nc2ccccc2)C(=O)N([C@H]1S)c1ccccc1 COC1=CC2=C(CCN3[C@H](S)N(C(=O)[C@H]3CC(=O)Nc4ccccc4)c5ccccc5)CN[C@H]2C=C1 InChIKey=YJDCIFCQNMXSBS-OARDWFSCSA-N InChI=1S/C28H30N4O3S/c1-35-22-12-13-24-23(16-22)19(18-29-24)14-15-31-25(17-26(33)30-20-8-4-2-5-9-20)27(34)32(28(31)36)21-10-6-3-7-11-21/h2-13,16,24-25,28-29,36H,14-15,17-18H2,1H3,(H,30,33)/t24-,25+,28-/m0/s1 InChI=1/C28H30N4O3S/c1-35-22-12-13-24-23(16-22)19(18-29-24)14-15-31-25(17-26(33)30-20-8-4-2-5-9-20)27(34)32(28(31)36)21-10-6-3-7-11-21/h2-13,16,24-25,28-29,36H,14-15,17-18H2,1H3,(H,30,33)/t24-,25+,28-/m0/s1/f/h30H 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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| 10.4496 17.8798 19.1110 22.5109 23.2098 29.5095 31.6169 60.6615 62.3210 68.7259 74.1375 85.9458 100.5964 106.1300 135.3638 137.7950 156.1653 174.2263 176.5178 193.0838 197.6223 232.4900 251.8189 260.9036 279.6442 292.9993 296.6203 306.5275 332.4157 376.0631 379.7315 404.1508 412.0694 428.9348 453.2396 457.3225 458.2145 463.2375 476.3616 522.6875 538.9684 547.0062 549.7554 556.7081 566.9409 569.5514 572.1621 604.2639 628.4886 645.2246 657.7061 673.2448 676.6087 678.7120 709.4722 723.0001 743.4240 760.4054 766.3793 770.6712 774.1966 784.9447 811.6313 835.7163 842.5853 851.7380 879.7908 887.6859 924.0789 930.0506 946.7254 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0.00348 0.00208 0.09463 0.07251 0.04343 15.03 25.73 27.50 32.39 33.39 42.46 45.49 87.28 89.67 98.88 106.67 123.66 144.74 152.70 194.76 198.26 224.69 250.67 253.97 277.80 284.33 334.50 362.31 375.38 402.35 421.56 426.77 441.02 478.27 541.07 546.35 581.48 592.88 617.14 652.11 657.99 659.27 666.50 685.38 752.03 775.46 787.02 790.98 800.98 815.70 819.46 823.21 869.40 904.25 928.33 946.29 968.65 973.49 976.52 1020.77 1040.24 1069.62 1094.05 1102.65 1108.82 1113.90 1129.36 1167.76 1202.41 1212.29 1225.46 1265.82 1277.18 1329.54 1338.14 1362.13 1364.27 1368.18 1398.11 1439.87 1457.26 1476.37 1483.03 1500.82 1524.84 1535.58 1566.31 1571.37 1576.07 1582.86 1586.35 1590.04 1605.30 1617.34 1625.65 1629.00 1633.11 1634.93 1636.03 1646.56 1687.88 1698.51 1707.55 1729.80 1753.91 1756.68 1795.45 1808.18 1848.46 1858.69 1865.60 1870.67 1872.78 1878.83 1895.75 1909.06 1915.90 1920.44 1925.13 1948.95 1969.09 1979.34 2005.70 2022.62 2045.02 2073.47 2087.46 2099.17 2114.52 2117.56 2127.07 2185.83 2191.75 2224.87 2233.90 2255.79 2262.92 2286.87 2288.51 2299.41 2305.61 2325.10 2332.81 2345.29 2368.56 2370.37 2375.22 2376.49 2405.69 2410.97 2413.22 2473.95 2517.76 2576.69 2582.80 2588.62 2599.00 2600.62 2671.52 2754.52 2948.33 4639.83 4643.13 4656.56 4668.21 4684.81 4713.54 4725.99 4748.69 4764.08 4767.89 4834.74 4840.02 4842.80 4849.25 4849.63 4860.94 4867.15 4871.64 4884.25 4886.94 4891.43 4894.68 4912.49 4919.49 4920.74 5552.01 5574.20 0.546783 0.576794 0.577738 0.479167 -1915.234808 -1915.204797 -1915.203853 -1915.302424 3.306088D-04 MUNgauss RevisionA2.0 retrievium 04-Feb-2020 DUDE COc1ccc2=[NH+]CC(=c2c1)CCN3[C@@H](C(=O)N(C3=S)c4ccccc4)CC(=O)Nc5ccccc5 C63529258 RHF 6-31G(d) (6D,10F) C1 499.180388 |X|Y|Z| 112.965849 98.222570 29.240327 68.714263 31 6 7 27 4 |36.858105| |13.490182|73.516695| |8.043257|25.462165|36.858105| |5.225235|14.623364|13.056795|36.858105| |3.943685|9.432270|7.682352|14.135304|36.858105| |3.743486|8.223273|6.794432|8.080089|13.392081|36.858105| |3.008136|6.247132|4.647942|5.264409|7.708129|14.516606|53.358707| |2.667947|5.532559|3.943768|4.647495|6.807448|9.278838|26.018942|0.500000| |2.887472|5.686265|4.102244|4.157620|5.192736|8.382060|17.897271|0.243584|36.858105| |3.564630|6.878569|5.149022|4.663435|5.298672|8.458764|11.275009|0.161908|12.724573|36.858105| |4.447890|9.240789|7.976489|6.908934|7.665786|13.227652|11.475242|0.164287|8.199242|14.066736|36.858105| |6.698659|14.132823|14.179820|7.828941|6.578841|7.604411|7.180805|0.117295|5.075066|7.445932|13.184938|36.858105| |3.360717|6.035992|4.164875|3.603233|3.809039|5.122360|6.932308|0.113344|7.265463|12.752071|7.425881|5.855175|36.858105| |3.242560|5.696715|3.787770|3.273944|3.384608|4.288227|5.748657|0.097984|5.476255|7.644900|5.746484|5.050790|12.352810|36.858105| |2.823186|4.806221|3.043723|2.656586|2.704671|3.257836|4.425648|0.078645|4.058923|5.048426|4.082932|3.826591|7.697678|13.192488|53.358707| |2.335249|4.033375|2.532582|2.290099|2.374974|2.835066|4.007415|0.073115|3.702192|4.168741|3.353062|3.063695|5.802935|7.457336|17.822643|36.858105| |2.274770|3.964117|2.508301|2.288154|2.399862|2.896743|4.172002|0.076148|3.961124|4.361790|3.404544|3.041051|6.177119|6.599142|12.361314|17.559184|0.500000| |2.175346|3.677421|2.245040|2.019101|2.053353|2.374206|3.289240|0.060899|2.898382|3.257542|2.774105|2.650622|4.288035|5.140756|11.289405|12.552181|0.250394|36.858105| |1.918955|3.259344|1.972768|1.800182|1.835953|2.095674|2.926970|0.055018|2.538989|2.761007|2.387793|2.281067|3.457934|3.948247|7.517071|7.889501|0.189359|16.100990|73.516695| |2.431927|4.006939|2.414100|2.118596|2.109717|2.414968|3.251681|0.059697|2.810575|3.293904|2.887375|2.868316|4.376597|5.308437|11.782469|8.200422|0.179635|13.801568|14.738743|53.358707| |2.911695|4.766641|2.915297|2.492282|2.463957|2.864838|3.782613|0.068016|3.300342|4.102837|3.574774|3.593594|5.780986|7.755785|19.241267|8.192115|0.179244|8.360880|9.903365|18.863900|36.858105| |3.625965|5.600133|3.313998|2.707194|2.571557|2.905462|3.667882|0.065753|3.054177|3.911844|3.698737|4.075166|5.061156|6.082211|9.636716|4.842261|0.118710|4.911150|6.826582|9.598205|11.474169|388.023441| |2.266724|3.678587|2.162452|1.901958|1.870907|2.091067|2.791086|0.051852|2.343377|2.701845|2.454514|2.499787|3.390142|3.875450|7.221292|5.130206|0.124251|7.705636|11.742206|18.045836|7.615162|42.546971|36.858105| |2.160188|3.498350|2.043779|1.803675|1.771715|1.968537|2.628941|0.049057|2.194926|2.511280|2.294415|2.343102|3.110588|3.322926|5.802188|4.225301|0.110944|5.818418|9.696556|10.658820|5.608329|35.033833|13.784691|36.858105| |1.976190|3.189015|1.834646|1.630640|1.592696|1.741221|2.317918|0.043651|1.898955|2.141181|1.996396|2.058516|2.555518|2.704606|4.476814|3.260081|0.086314|4.209395|7.431509|7.008970|4.099652|27.868804|7.978739|13.761201|36.858105| |1.897230|3.057119|1.744155|1.555659|1.513984|1.640475|2.177790|0.041187|1.765170|1.978154|1.865571|1.934401|2.317975|2.511753|4.102556|2.963440|0.076628|3.766880|6.718375|6.187198|3.714265|25.859206|6.916833|7.941565|13.749569|36.858105| |1.968789|3.176478|1.817094|1.618248|1.575398|1.710498|2.268887|0.042829|1.841056|2.068925|1.949939|2.020953|2.428941|2.728791|4.526757|3.232967|0.080699|4.163263|7.302589|7.005546|4.157176|28.484258|7.979521|6.865766|7.929643|13.745784|36.858105| |2.149919|3.480966|2.019101|1.786585|1.747672|1.924077|2.557587|0.047891|2.106435|2.396227|2.224103|2.287497|2.889097|3.367473|5.911161|4.166549|0.099695|5.698704|9.417712|10.643919|5.756222|36.261200|13.780875|7.912580|6.864813|7.940857|13.765159|36.858105| |2.106797|3.705515|2.325415|2.160947|2.274222|2.691232|3.894063|0.072567|3.536599|3.708194|3.043108|2.737308|4.586776|5.911969|10.212530|12.477962|0.247289|7.565101|11.383398|7.361631|5.359150|26.565487|3.954006|3.305327|2.712785|2.562003|2.833470|3.531764|36.858105| |2.069435|3.733565|2.387772|2.277533|2.469011|2.982943|4.521523|0.085025|4.244551|4.096323|3.263057|2.799931|4.727186|5.574716|7.780171|7.464706|0.199671|4.936304|7.849505|5.383444|4.149058|22.566566|3.078665|2.706306|2.280635|2.149135|2.324007|2.779850|12.501867|36.858105| |2.207553|4.031936|2.632434|2.522868|2.788846|3.493028|5.486881|0.101336|5.591026|5.135969|3.833368|3.142656|5.876396|6.214526|7.797508|6.800815|0.207885|4.466095|6.953640|5.110592|4.101157|22.898797|2.934132|2.643181|2.222336|2.065769|2.197981|2.602338|7.958953|15.771264|73.516695| |1.858204|3.374374|2.134250|2.075286|2.256612|2.655141|4.041331|0.078428|3.584491|3.342915|2.795477|2.431465|3.614506|4.150765|5.693810|5.075048|0.135022|3.897240|6.577372|4.380961|3.299931|18.881847|2.635748|2.338604|2.024193|1.939322|2.100651|2.459211|7.904988|14.161291|15.023079|53.358707| |1.756336|3.239421|2.055147|2.048127|2.267348|2.647731|4.141148|0.082917|3.569141|3.143229|2.676637|2.299692|3.202344|3.479099|4.542353|3.796719|0.105246|3.051058|5.198966|3.576215|2.723696|16.305150|2.216808|2.010292|1.769316|1.697888|1.818294|2.083247|5.030258|7.709477|11.815154|18.208649|36.858105| |1.672479|3.097248|1.947150|1.961047|2.162457|2.461530|3.787853|0.077079|3.100986|2.764305|2.444781|2.136449|2.750769|3.022118|3.915285|3.140320|0.084946|2.629120|4.504059|3.167703|2.418170|14.883088|2.005358|1.816172|1.621436|1.576340|1.696520|1.923921|4.026820|5.309691|8.327524|10.747642|13.739814|36.858105| |1.561604|2.916977|1.827859|1.873271|2.081641|2.329829|3.611304|0.075536|2.856630|2.497932|2.253590|1.972660|2.423209|2.576160|3.304930|2.601130|0.071623|2.226988|3.836916|2.730829|2.085626|13.141191|1.758647|1.615830|1.457664|1.417254|1.511699|1.690598|3.149711|3.972513|6.682582|7.031464|7.936957|13.756122|36.858105| |1.527329|2.867193|1.804065|1.864720|2.095432|2.353629|3.725585|0.079364|2.944908|2.502308|2.245422|1.944845|2.400067|2.463158|3.145437|2.482782|0.070172|2.124802|3.667643|2.607307|1.990039|12.588442|1.683279|1.566944|1.413951|1.363446|1.438987|1.601331|2.912752|3.709726|6.579016|6.178642|6.868567|7.937049|13.756994|36.858105| |1.591355|2.980720|1.890253|1.940417|2.192037|2.516964|4.064120|0.085859|3.340555|2.775700|2.423167|2.067150|2.685209|2.695312|3.447347|2.774058|0.080451|2.331419|4.017231|2.823270|2.151890|13.423980|1.803661|1.687418|1.509496|1.440468|1.511831|1.690723|3.235994|4.309687|7.957268|6.989025|7.958218|6.891452|7.955879|13.745740|36.858105| |1.706968|3.169285|2.019787|2.034924|2.282513|2.679512|4.309803|0.087919|3.741214|3.149202|2.660403|2.254160|3.148279|3.213515|4.153195|3.456876|0.100890|2.805099|4.804471|3.312834|2.520808|15.282110|2.072158|1.919330|1.693516|1.608208|1.696234|1.923349|4.207799|6.194755|11.275469|10.569845|13.734150|7.924901|6.862672|7.912922|13.756364|36.858105| |17.682746|16.952445|5.909096|4.422962|3.409605|3.166456|3.556272|0.065710|2.494864|2.971467|3.584999|4.899845|2.826434|2.759982|3.355440|2.081321|0.056287|1.967232|3.122941|2.982405|2.561675|22.403022|2.079966|1.995623|1.855528|1.797397|1.858693|1.999041|1.897763|1.860356|3.494950|2.300934|1.605476|1.540504|1.447100|1.414838|1.465489|1.560862|0.500000| |17.587142|16.428914|7.090027|4.734898|3.743372|3.683861|4.085967|0.073525|2.943185|3.691711|4.502193|6.704994|3.574999|3.616752|4.272159|2.536102|0.067425|2.363035|3.669652|3.645190|3.272879|30.051661|2.481832|2.319358|2.108077|2.039860|2.148413|2.372802|2.284030|2.213872|4.156853|2.694847|1.851023|1.764805|1.632149|1.581318|1.643514|1.776779|0.299430|0.500000| |17.585654|16.434394|7.080799|4.731523|3.738657|3.676778|4.077293|0.073399|2.937249|3.683351|4.492369|6.688720|3.556319|3.306873|3.968684|2.412161|0.066035|2.258574|3.533398|3.460794|3.044374|27.261602|2.376138|2.300651|2.095920|1.983364|2.031728|2.215744|2.135199|2.089058|3.991201|2.529442|1.749346|1.648770|1.537318|1.513180|1.590726|1.713146|0.299513|0.298238|0.500000| |4.942932|13.868415|8.840014|17.731669|9.054582|5.687384|5.703017|0.108183|3.396634|3.692353|4.974590|5.663803|3.002022|2.787981|3.173235|2.036923|0.056383|1.824571|2.920265|2.607226|2.219005|17.219377|1.744640|1.662154|1.519529|1.458389|1.513864|1.654440|1.936532|2.028237|3.938745|2.549679|1.857951|1.798326|1.733051|1.724199|1.777619|1.845279|0.124028|0.121327|0.121349|0.500000| |3.310573|7.634154|5.508615|8.982723|17.752597|8.724994|9.213362|0.192147|4.534139|4.294924|5.497052|4.800279|3.230727|2.920100|3.260202|2.151883|0.060558|1.873865|3.013640|2.594694|2.186245|16.026429|1.703724|1.619243|1.466343|1.398777|1.452978|1.601041|2.093840|2.293179|4.571376|2.907357|2.185827|2.109727|2.067731|2.098608|2.174925|2.219635|0.082383|0.087403|0.087318|0.215506|0.500000| |2.625080|5.088901|3.552914|3.594900|4.366318|6.291720|12.277099|0.204222|17.557889|8.847971|6.191288|4.279701|6.518387|5.673371|5.770053|3.995448|0.117035|3.040979|4.751584|3.911310|3.335002|21.216463|2.370515|2.188609|1.890897|1.770139|1.863782|2.146581|4.036011|5.207875|12.754504|5.976871|4.440895|3.764738|3.391355|3.465987|3.977714|4.604800|0.063785|0.075635|0.073234|0.083904|0.109842|0.500000| |2.632073|5.107089|3.569579|3.614471|4.394857|6.344021|12.356292|0.205287|17.548542|8.887321|6.235870|4.300596|6.446772|4.680177|5.090541|3.560226|0.110207|2.827631|4.464925|3.686955|3.097404|20.188269|2.277766|2.171771|1.881097|1.732317|1.786031|2.028540|3.355835|4.026630|9.550670|4.643196|3.426722|2.927366|2.732101|2.893243|3.375598|3.758647|0.063929|0.073518|0.075717|0.084304|0.110489|0.301502|0.500000| |7.284092|12.382763|8.967634|5.556472|4.801684|5.491587|5.838964|0.098112|4.442592|6.613598|8.732963|17.770768|6.237385|5.538894|5.853779|3.310903|0.090252|2.910168|4.387169|4.429444|4.213576|36.487928|2.832896|2.646629|2.302811|2.152437|2.250335|2.566944|2.862861|2.831493|5.568800|3.305117|2.249957|2.078586|1.899907|1.862530|1.984301|2.187243|0.143436|0.219080|0.218079|0.123941|0.104987|0.107751|0.108082|0.500000| |2.848466|5.124802|3.443617|3.107193|3.348201|4.404795|6.405309|0.108716|7.034988|9.013126|5.633967|4.497049|17.620963|8.832644|9.714385|6.398801|0.215791|4.543116|6.607169|5.912438|5.281406|30.739284|3.349010|3.127503|2.555156|2.290805|2.375692|2.813451|4.968016|5.314556|12.628885|5.339553|3.454417|2.870278|2.521116|2.535274|2.913920|3.490890|0.068209|0.082862|0.083931|0.073491|0.081480|0.183197|0.196535|0.129737|0.500000| |3.719651|6.440174|4.345137|3.587572|3.626578|4.625795|5.914256|0.098958|5.540694|8.965066|6.812581|6.229905|17.591091|8.841473|9.368213|5.111975|0.150172|4.146993|5.957648|6.128998|6.057097|41.541301|3.581139|3.365971|2.750210|2.458257|2.540288|2.999923|3.924829|3.845713|8.011404|4.156545|2.725381|2.386583|2.130964|2.114263|2.340977|2.689999|0.085783|0.109117|0.113799|0.083686|0.085028|0.134981|0.144618|0.204098|0.300888|0.500000| |3.781595|6.521924|4.309064|3.566967|3.549276|4.351530|5.482717|0.093642|4.795292|6.818136|6.001867|5.846307|8.796254|17.683854|12.651810|5.614091|0.136940|4.419486|6.193220|6.662342|7.366159|50.161728|3.766808|3.209880|2.662380|2.514209|2.758469|3.382027|4.726753|4.400681|8.344024|4.803992|3.043464|2.746526|2.377706|2.256765|2.415412|2.799847|0.087825|0.122204|0.104959|0.084156|0.083761|0.133689|0.112453|0.187097|0.173747|0.216021|0.500000| |2.914168|5.263449|3.511169|3.178196|3.389932|4.324567|6.090832|0.105119|5.890298|7.119990|5.349358|4.465056|8.812270|17.687433|12.622932|7.004695|0.171453|4.688486|6.679089|6.134697|5.835238|33.147462|3.396618|2.921463|2.429990|2.290289|2.500956|3.047103|6.703817|7.036061|13.927829|6.949371|4.211197|3.614226|2.999596|2.823951|3.086676|3.759924|0.070014|0.089433|0.080927|0.075558|0.082667|0.189116|0.134857|0.127303|0.208722|0.173928|0.302729|0.500000| |2.190302|3.570308|2.104478|1.858799|1.835703|2.056239|2.759155|0.051345|2.327367|2.667979|2.406786|2.433468|3.355819|3.436589|5.943699|4.394884|0.121561|5.789122|9.514426|9.812742|5.514869|33.815712|8.931369|17.731045|8.894343|5.641622|4.949370|5.640718|3.337289|2.787690|4.942513|3.237046|2.054249|1.835633|1.638365|1.604043|1.744672|1.988828|0.055856|0.064574|0.065582|0.047360|0.046527|0.063892|0.064816|0.076271|0.095678|0.102423|0.090225|0.083148|0.500000| |1.880140|3.041895|1.744512|1.558270|1.522325|1.656672|2.207842|0.041740|1.799524|2.014010|1.885835|1.943343|2.374136|2.447888|3.944268|2.891749|0.078575|3.586670|6.408890|5.682795|3.486962|24.131046|5.666614|8.932657|17.731682|8.909315|5.641728|4.948865|2.433865|2.094513|3.666814|2.545687|1.654664|1.517302|1.375272|1.343309|1.436410|1.600583|0.049299|0.055027|0.055738|0.040485|0.039069|0.049468|0.049946|0.060011|0.066414|0.071301|0.066736|0.061410|0.214602|0.500000| |1.763296|2.845517|1.611872|1.446507|1.405285|1.509812|2.003393|0.038095|1.608599|1.786971|1.700006|1.766599|2.057906|2.204788|3.508539|2.541527|0.066493|3.119810|5.629275|4.924408|3.080482|21.886057|4.975402|5.649720|8.921537|17.726107|8.920456|5.649668|2.246342|1.920389|3.291126|2.388252|1.553856|1.452825|1.316139|1.268518|1.334656|1.477667|0.046855|0.052300|0.051088|0.037914|0.036242|0.044735|0.043954|0.054187|0.056529|0.060477|0.061536|0.056402|0.124068|0.214933|0.500000| |1.868926|3.022721|1.717980|1.539222|1.495782|1.610428|2.134014|0.040485|1.714307|1.910194|1.817692|1.888129|2.200638|2.479881|4.005184|2.858171|0.071374|3.535989|6.262701|5.679293|3.550133|24.849122|5.666884|4.949364|5.641965|8.908412|17.731748|8.934489|2.593102|2.154925|3.605745|2.695764|1.727408|1.630945|1.458524|1.382002|1.439937|1.604600|0.049438|0.056707|0.053039|0.040240|0.038492|0.048364|0.046032|0.057916|0.059551|0.063365|0.070305|0.064100|0.107482|0.124063|0.214928|0.500000| |2.171894|3.538390|2.057860|1.826332|1.789412|1.969493|2.618761|0.049058|2.151207|2.439480|2.269388|2.327049|2.912587|3.525648|6.156348|4.279682|0.099041|5.583957|9.058876|9.791898|5.771874|35.850859|8.929551|5.640764|4.948957|5.641331|8.895895|17.732113|3.787345|2.934906|4.796034|3.563488|2.198517|2.047926|1.784596|1.671092|1.751041|1.996610|0.056039|0.067306|0.061288|0.046959|0.045555|0.061560|0.056882|0.072082|0.077977|0.082290|0.099632|0.090188|0.124276|0.107475|0.124069|0.214645|0.500000| |1.896922|3.324797|2.059623|1.927488|2.021290|2.350146|3.400484|0.064381|3.016935|3.107108|2.611163|2.381543|3.741444|4.481881|7.653570|8.977317|0.206207|7.408921|13.228383|6.802206|4.539302|23.290835|3.862900|3.281265|2.728102|2.584619|2.844126|3.490146|17.557235|8.920995|10.912784|9.814813|4.730002|3.829395|3.029827|2.813100|3.120883|4.018018|0.047971|0.056699|0.053541|0.048500|0.052234|0.093997|0.081442|0.069111|0.113840|0.092354|0.104652|0.134875|0.091559|0.068189|0.063182|0.072474|0.102809|0.500000| |2.148977|3.766975|2.346679|2.174029|2.266702|2.645920|3.761381|0.070208|3.310969|3.520270|2.986444|2.738127|4.214505|5.796751|9.664283|8.821106|0.174557|6.547549|9.884717|7.108356|5.333212|27.260734|3.916626|3.178979|2.652237|2.570665|2.919021|3.673645|17.538602|8.878781|11.011517|9.601180|4.698247|4.036107|3.131033|2.810594|3.011661|3.784349|0.053913|0.065549|0.059738|0.054338|0.057944|0.104771|0.085101|0.079698|0.119113|0.101696|0.137349|0.187205|0.086620|0.065496|0.062700|0.075361|0.114456|0.303066|0.500000| |1.771774|3.190151|1.991276|1.926918|2.066774|2.386762|3.553779|0.069159|3.066570|2.941337|2.521995|2.247582|3.205190|3.753072|5.351289|4.783511|0.122255|3.904472|6.776551|4.364333|3.205400|18.356882|2.663998|2.339650|2.040484|1.978451|2.164889|2.533538|7.679897|9.478749|10.872639|26.031155|9.220833|7.223344|4.788146|4.055838|4.334525|5.888298|0.045063|0.052662|0.049081|0.048723|0.054450|0.100920|0.081058|0.062899|0.094765|0.077183|0.091176|0.124254|0.065164|0.052107|0.049769|0.057105|0.075829|0.216126|0.209026|0.500000| |1.680811|3.093507|1.929724|1.928337|2.098070|2.363784|3.551331|0.071517|2.877298|2.649476|2.375072|2.111161|2.664975|3.018718|3.954878|3.137787|0.082479|2.666431|4.567183|3.232861|2.463874|15.192817|2.053968|1.839002|1.646666|1.616470|1.757892|1.998459|4.088704|5.022636|7.568062|9.906985|8.914241|17.704335|8.910969|5.643856|4.960564|5.640188|0.043112|0.049652|0.045776|0.049303|0.056591|0.095474|0.074462|0.057450|0.075883|0.064750|0.077451|0.100279|0.051089|0.042560|0.041368|0.047239|0.059832|0.108029|0.119898|0.211286|0.500000| |1.494809|2.793280|1.735746|1.785981|1.970578|2.165354|3.300412|0.069309|2.549127|2.265698|2.085089|1.851065|2.189381|2.338216|3.006187|2.332002|0.063628|2.034150|3.514270|2.525590|1.927231|12.310761|1.645167|1.512161|1.375005|1.346046|1.438195|1.597689|2.782065|3.349652|5.623919|5.708344|5.650604|8.937681|17.726460|8.908792|5.650346|4.947395|0.038704|0.043402|0.040665|0.046303|0.054727|0.082315|0.067369|0.049502|0.062441|0.054122|0.061000|0.074729|0.042357|0.036061|0.034874|0.038795|0.046985|0.074689|0.078351|0.112858|0.215514|0.500000| |1.442097|2.716128|1.699519|1.772428|1.991024|2.199080|3.458483|0.074764|2.662366|2.270999|2.073111|1.810235|2.158776|2.191743|2.798976|2.184165|0.061832|1.899733|3.289714|2.357217|1.797248|11.527174|1.538911|1.442454|1.311241|1.266575|1.331225|1.469268|2.502926|3.075760|5.513759|4.919194|4.950531|5.644974|8.912063|17.727836|8.907140|5.635889|0.037303|0.041251|0.039642|0.045905|0.056052|0.084783|0.073140|0.047992|0.062929|0.053485|0.056452|0.068671|0.041008|0.034756|0.032893|0.035623|0.042453|0.067495|0.067468|0.091997|0.124097|0.214510|0.500000| |1.540923|2.892645|1.832235|1.891369|2.143478|2.448998|3.975731|0.085106|3.234762|2.663842|2.337003|1.994085|2.559086|2.499596|3.200336|2.562076|0.075524|2.179645|3.768285|2.657724|2.021199|12.723054|1.711327|1.619928|1.454362|1.381444|1.437810|1.597130|2.887550|3.718831|7.084721|5.663922|5.660225|4.961849|5.653237|8.915615|17.720227|8.947888|0.039497|0.043865|0.042989|0.048272|0.059487|0.103620|0.093623|0.053034|0.077706|0.062643|0.062426|0.077807|0.046814|0.038694|0.035666|0.037983|0.045574|0.077856|0.074090|0.099622|0.107657|0.124152|0.214771|0.500000| |1.742185|3.219872|2.057381|2.055004|2.300315|2.733369|4.410270|0.088728|3.969776|3.339886|2.755696|2.321793|3.414617|3.377312|4.418025|3.770392|0.114928|3.019776|5.171942|3.520268|2.664008|15.952041|2.185405|2.042149|1.787547|1.678227|1.756412|1.996055|4.439913|6.587059|13.036455|9.659782|8.918525|5.644841|4.950996|5.636707|8.908173|17.772154|0.044102|0.050204|0.049030|0.051520|0.061636|0.133227|0.115239|0.062958|0.109285|0.080783|0.080118|0.107530|0.059492|0.047069|0.042698|0.045779|0.056956|0.118371|0.105917|0.149730|0.124159|0.107504|0.124024|0.215492|0.500000| 1913.746841 -12151.414789 4710.695462 -231.409798 -5758.382284 3842.600618 -1915.781665 2.001063 40D26C0000000004 456098F9364FBDAD 44E027E208171BEA 42B783223BA3FFFC 347C4FBDE1FC4CFD 44E85FE20012E465