Version2.0 2020-02-03T17:45:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 14-Oct-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 C63529259 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-VWLOTQADSA-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-/m0/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-/m0/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-PNIUZAESSA-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| 14.5147 19.8074 22.9317 28.8507 29.2709 36.4999 45.9548 52.9784 62.7201 71.2449 74.9677 86.0277 100.7883 105.5359 127.4187 138.3420 155.3684 171.9104 181.2274 188.4717 195.9988 229.2474 247.5869 258.7181 277.6258 292.7834 295.9732 306.1270 333.6710 366.1210 379.0825 412.1004 413.3498 428.5630 454.2227 458.2671 459.5473 464.3806 476.7147 521.3668 524.5328 545.9611 548.3417 553.5972 557.3819 568.3872 573.4708 603.8280 625.9155 646.0294 657.5006 674.0039 676.6553 678.8031 709.7008 722.5931 743.3426 760.8585 766.8380 771.2016 775.5732 784.3479 811.4719 837.9945 845.6904 853.3035 879.6021 887.3560 929.3134 929.7274 946.6672 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0.00297 0.00214 0.13682 0.06185 0.04450 20.88 28.50 32.99 41.51 42.11 52.52 66.12 76.22 90.24 102.51 107.86 123.77 145.01 151.84 183.33 199.04 223.54 247.34 260.75 271.17 282.00 329.84 356.22 372.24 399.44 421.25 425.84 440.45 480.08 526.77 545.42 592.92 594.72 616.61 653.53 659.34 661.19 668.14 685.89 750.13 754.69 785.52 788.94 796.50 801.95 817.78 825.10 868.77 900.55 929.49 946.00 969.74 973.56 976.65 1021.10 1039.65 1069.50 1094.71 1103.31 1109.59 1115.88 1128.50 1167.53 1205.69 1216.76 1227.71 1265.55 1276.71 1337.07 1337.67 1362.04 1364.39 1371.87 1435.09 1441.07 1464.41 1473.96 1483.96 1501.41 1527.69 1545.78 1566.40 1571.86 1575.89 1582.82 1587.41 1588.74 1607.56 1617.11 1623.74 1631.11 1633.13 1634.78 1636.96 1647.41 1688.56 1698.64 1702.20 1727.83 1753.46 1756.76 1795.90 1808.47 1848.08 1856.74 1865.43 1866.13 1872.19 1879.85 1895.65 1908.36 1917.99 1920.40 1925.25 1947.44 1971.59 1978.53 2000.89 2026.15 2045.42 2070.63 2085.66 2100.96 2114.95 2120.14 2122.98 2183.45 2198.77 2223.55 2236.38 2255.70 2266.05 2287.61 2291.27 2295.87 2306.05 2324.99 2332.94 2343.77 2365.93 2366.69 2369.71 2371.12 2403.04 2410.60 2414.74 2466.18 2517.52 2576.83 2581.06 2582.87 2598.67 2599.15 2669.40 2761.51 2946.97 4641.76 4651.54 4655.96 4666.88 4679.72 4717.47 4718.96 4756.62 4758.57 4766.42 4838.42 4841.68 4846.53 4849.73 4851.21 4860.99 4868.29 4871.72 4884.33 4886.11 4891.34 4894.79 4901.04 4912.42 4917.29 5551.30 5572.14 0.546802 0.576775 0.577720 0.480630 -1915.235033 -1915.205060 -1915.204115 -1915.301205 3.256415D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE COc1ccc2=[NH+]CC(=c2c1)CCN3[C@H](C(=O)N(C3=S)c4ccccc4)CC(=O)Nc5ccccc5 C63529259 RHF 6-31G(d) (6D,10F) C1 499.180388 |X|Y|Z| 81.641086 123.211918 26.375115 64.256729 31 6 7 27 4 |36.858105| |13.482812|73.516695| |8.050244|25.461376|36.858105| |5.228290|14.633831|13.061403|36.858105| |3.945310|9.434959|7.682571|14.133157|36.858105| |3.746847|8.228449|6.800131|8.087287|13.403706|36.858105| |3.010000|6.249576|4.650101|5.267861|7.716161|14.514401|53.358707| |2.669425|5.534850|3.945363|4.650287|6.814204|9.275899|26.016400|0.500000| |2.889398|5.688349|4.104580|4.160703|5.197815|8.388767|17.913735|0.243693|36.858105| |3.567097|6.878990|5.150389|4.664419|5.299003|8.457604|11.267487|0.161828|12.715378|36.858105| |4.453027|9.243961|7.981360|6.909138|7.660721|13.212626|11.463612|0.164160|8.198828|14.069312|36.858105| |6.711473|14.134560|14.174913|7.822704|6.570893|7.598608|7.175838|0.117225|5.073709|7.443193|13.179392|36.858105| |3.353097|6.020060|4.153933|3.597309|3.804935|5.117838|6.934558|0.113403|7.280086|12.747808|7.407386|5.831848|36.858105| |3.203964|5.633039|3.744429|3.247058|3.364665|4.267271|5.747336|0.098043|5.503447|7.625089|5.692704|4.978499|12.338776|36.858105| |2.758972|4.717242|2.993411|2.628459|2.689243|3.248142|4.445905|0.079114|4.106838|5.050691|4.046034|3.753069|7.692090|13.188144|53.358707| |2.795328|4.599247|2.818193|2.426998|2.412522|2.811829|3.743355|0.067472|3.288941|4.047148|3.486675|3.464242|5.750038|7.439345|17.826213|36.858105| |2.939222|4.786837|2.930892|2.494244|2.463895|2.874391|3.792594|0.068028|3.331504|4.189833|3.618959|3.643373|6.109245|6.601568|12.366464|17.557218|0.500000| |2.289982|3.814134|2.309738|2.050185|2.060186|2.366925|3.226983|0.059498|2.811247|3.234441|2.800111|2.734674|4.285059|5.137469|11.288000|12.547217|0.250222|36.858105| |2.126414|3.508472|2.086728|1.858242|1.851500|2.087323|2.828768|0.052705|2.406046|2.729700|2.431247|2.418560|3.452698|3.945058|7.516275|7.889387|0.189383|16.098923|73.516695| |2.126990|3.631403|2.233602|2.025729|2.079055|2.420356|3.393923|0.062938|3.024758|3.346610|2.809214|2.639034|4.400492|5.312160|11.775621|8.197072|0.179386|13.808647|14.742288|53.358707| |2.320265|4.027504|2.538187|2.305793|2.402635|2.878082|4.093563|0.074719|3.802731|4.238620|3.388777|3.068464|5.842802|7.776233|19.234520|8.193761|0.179165|8.366359|9.906583|18.867021|36.858105| |2.107824|3.766509|2.403821|2.264425|2.434343|2.948196|4.416831|0.082208|4.204512|4.199663|3.296369|2.849095|5.159321|6.111429|9.639981|4.843746|0.118731|4.912859|6.827542|9.597695|11.474403|388.023441| |1.833368|3.152720|1.922350|1.775736|1.831567|2.100906|2.980221|0.056353|2.605223|2.762351|2.362890|2.216696|3.412110|3.878974|7.218952|5.128645|0.124086|7.706215|11.742247|18.045825|7.615131|42.532595|36.858105| |1.702039|2.936552|1.777982|1.656840|1.707622|1.933923|2.741383|0.052380|2.346208|2.450151|2.139374|2.018378|2.907895|3.373267|5.916430|4.162920|0.099538|5.681452|9.366490|10.643246|5.771870|36.413312|13.780657|36.858105| |1.516608|2.626775|1.580835|1.488283|1.536056|1.720751|2.447883|0.047329|2.063501|2.116923|1.872203|1.769492|2.443945|2.732642|4.529051|3.231056|0.080593|4.156280|7.277696|7.005464|4.163221|28.557145|7.979750|13.765474|36.858105| |1.449560|2.513315|1.511624|1.427251|1.475442|1.651014|2.356546|0.045719|1.986192|2.024899|1.789388|1.688353|2.331535|2.513831|4.101927|2.962805|0.076550|3.766623|6.717162|6.187194|3.714328|25.852961|6.916846|7.940691|13.745617|36.858105| |1.529161|2.646513|1.598348|1.501955|1.553935|1.752129|2.504077|0.048305|2.136854|2.191885|1.915215|1.800535|2.569987|2.705351|4.473119|3.260605|0.086249|4.216220|7.455685|7.009124|4.094018|27.787286|7.978690|6.864675|7.929757|13.749876|36.858105| |1.719963|2.964512|1.803278|1.676041|1.732646|1.979312|2.821925|0.053728|2.456791|2.569490|2.204829|2.065205|3.128809|3.323075|5.794524|4.226895|0.110866|5.836931|9.751803|10.659513|5.594032|34.878278|13.784882|7.912530|6.865972|7.941673|13.761079|36.858105| |3.012105|4.804077|2.853916|2.418169|2.341589|2.646218|3.427667|0.062213|2.875852|3.526158|3.253143|3.420223|4.516348|5.873270|10.207721|12.465926|0.246828|7.570958|11.392224|7.370063|5.362862|26.575891|3.958955|3.533432|2.835175|2.564625|2.716781|3.311134|36.858105| |3.875664|5.859637|3.404181|2.754181|2.579587|2.870122|3.578568|0.064356|2.920757|3.715351|3.628432|4.115794|4.558963|5.417876|7.672552|7.465028|0.201573|4.960757|7.935127|5.376604|4.116744|22.371917|3.079242|2.776296|2.323224|2.151399|2.285577|2.712466|12.510899|36.858105| |4.644817|6.940591|4.130547|3.202590|2.968503|3.354910|4.085179|0.072103|3.347325|4.504947|4.473427|5.310582|5.600315|6.063469|7.701793|6.770943|0.207677|4.461468|6.971708|5.088484|4.067174|22.711653|2.925326|2.595362|2.193394|2.062069|2.218271|2.636988|7.961237|15.783564|73.516695| |3.823808|5.615336|3.112172|2.544809|2.344361|2.521933|3.130060|0.057208|2.477490|3.033496|3.065435|3.541015|3.489010|4.015167|5.606276|5.088519|0.136916|3.936094|6.712657|4.383033|3.268867|18.646515|2.642397|2.457507|2.102558|1.946682|2.036598|2.353561|7.908206|14.151685|15.025771|53.358707| |4.544535|6.257059|3.282734|2.643915|2.366131|2.471159|3.008947|0.055284|2.315610|2.812244|2.960907|3.568634|3.082053|3.356866|4.470531|3.808423|0.106917|3.081068|5.307410|3.576044|2.694070|16.050920|2.221451|2.079640|1.818559|1.704354|1.781292|2.024190|5.033165|7.724356|11.864324|18.189362|36.858105| |4.910675|6.471337|3.317781|2.650017|2.348680|2.434512|2.949553|0.054251|2.258263|2.743536|2.913918|3.565338|2.986914|3.075223|4.080719|3.474671|0.102727|2.853310|4.959430|3.328861|2.495649|15.029169|2.089010|1.931783|1.707274|1.625074|1.716734|1.945427|4.215446|6.132170|10.939651|10.601960|13.733966|36.858105| |5.049888|6.533793|3.187714|2.586751|2.256533|2.274429|2.741614|0.050963|2.053156|2.439820|2.643643|3.242912|2.564067|2.592146|3.393203|2.785897|0.081755|2.364583|4.128100|2.832737|2.130004|13.192498|1.815320|1.695054|1.519126|1.453707|1.528570|1.708142|3.239840|4.290796|7.850169|6.995077|7.952447|13.756830|36.858105| |4.750588|6.349767|3.035686|2.516727|2.184073|2.163306|2.607485|0.048862|1.926355|2.251274|2.459549|2.989403|2.320053|2.387718|3.103151|2.490431|0.071168|2.143848|3.737832|2.607204|1.969122|12.375400|1.686631|1.597825|1.438639|1.369003|1.424638|1.578597|2.914960|3.715856|6.604166|6.178655|6.872111|7.918772|13.732089|36.858105| |4.409900|6.138926|3.005897|2.509301|2.196576|2.187735|2.647180|0.049594|1.961053|2.288140|2.486416|2.989323|2.363610|2.512367|3.265013|2.605986|0.072546|2.236507|3.882283|2.721769|2.062641|12.928130|1.754597|1.678971|1.503775|1.415819|1.461348|1.620335|3.149622|3.998460|6.792900|7.018881|7.938799|6.863977|7.945589|13.756226|36.858105| |4.329878|6.103566|3.121978|2.572366|2.285548|2.333241|2.837262|0.052683|2.140422|2.537073|2.712549|3.243972|2.686167|2.949279|3.867529|3.145336|0.086066|2.636978|4.548843|3.154197|2.391163|14.654892|1.998564|1.908682|1.685926|1.572860|1.623285|1.818905|4.026040|5.368236|8.529830|10.708731|13.747506|7.924736|6.881867|7.934700|13.744267|36.858105| |17.688450|16.946251|5.911062|4.423452|3.409894|3.168360|3.557827|0.065735|2.496224|2.973174|3.587983|4.906119|2.821303|2.732256|3.286548|2.468477|0.071647|2.069606|3.464392|2.616481|2.068262|13.443040|1.679068|1.571346|1.411613|1.351404|1.419033|1.581675|2.681750|3.377166|6.849771|4.726659|4.264605|4.689018|5.316639|5.333625|4.722742|4.278722|0.500000| |17.608159|16.415032|7.098151|4.734837|3.744084|3.688349|4.089762|0.073573|2.947041|3.698355|4.512767|6.733491|3.570433|3.570374|4.161828|3.115242|0.089462|2.502589|4.108437|3.134160|2.520679|16.030051|1.962060|1.826913|1.613621|1.528677|1.606397|1.816504|3.476730|4.660922|9.874845|6.351158|5.652295|5.649717|5.422786|5.194859|5.186939|5.409608|0.299582|0.500000| |17.592250|16.438704|7.090554|4.739044|3.742922|3.681410|4.080943|0.073467|2.939307|3.685740|4.497756|6.698695|3.547203|3.267163|3.874879|2.932026|0.088093|2.390242|3.952971|2.997291|2.387746|15.275253|1.891796|1.735943|1.546384|1.488377|1.584212|1.790178|3.098604|4.022515|8.927156|5.255606|4.519344|5.258182|5.283841|4.536773|4.032618|4.030313|0.299418|0.298944|0.500000| |4.944864|13.881497|8.841667|17.731511|9.054772|5.690806|5.706270|0.108247|3.398778|3.692965|4.974750|5.661413|2.997692|2.767073|3.140338|2.162938|0.061590|1.854583|3.022782|2.486404|2.048667|14.316695|1.619136|1.522027|1.377624|1.323088|1.386108|1.533706|2.180805|2.477848|5.016824|3.191315|2.477718|2.497202|2.499767|2.476958|2.455545|2.458124|0.124013|0.121242|0.121546|0.500000| |3.311344|7.635469|5.508164|8.978833|17.752809|8.728614|9.224829|0.192447|4.539039|4.295523|5.494474|4.796052|3.228975|2.907915|3.249530|2.147848|0.060620|1.870917|3.010239|2.589223|2.179643|15.973354|1.700554|1.597650|1.450314|1.396751|1.464569|1.617095|2.083824|2.259261|4.527224|2.828892|2.097931|2.081794|2.019561|1.972625|1.985029|2.047493|0.082376|0.087392|0.087406|0.215417|0.500000| |2.629202|5.097280|3.560368|3.603347|4.378858|6.312404|12.318630|0.204618|17.547836|8.852660|6.205718|4.286272|6.526102|5.728695|5.876447|3.327107|0.090591|2.896393|4.368985|4.368157|4.149854|35.134237|2.779062|2.532382|2.215448|2.108623|2.245453|2.578494|2.900080|2.854758|5.641758|3.307027|2.239079|2.147137|1.945432|1.841627|1.898184|2.087050|0.063879|0.075801|0.073325|0.084074|0.110146|0.500000| |2.631666|5.104033|3.567464|3.613605|4.394716|6.339037|12.357613|0.205509|17.551912|8.872715|6.224847|4.293749|6.465956|4.712880|5.168863|3.116932|0.089450|2.733855|4.192304|4.033504|3.645111|29.028248|2.597536|2.311694|2.055199|2.010869|2.191178|2.511912|2.675980|2.692779|5.459424|3.122603|2.148294|2.125216|1.939703|1.807409|1.821200|1.974443|0.063914|0.073567|0.075704|0.084293|0.110538|0.300863|0.500000| |7.297731|12.375881|8.958668|5.552287|4.796819|5.487001|5.833830|0.098040|4.439281|6.607139|8.726235|17.761465|6.202118|5.443257|5.694168|4.025006|0.120075|3.057688|4.799301|3.898820|3.292725|20.789599|2.363193|2.133048|1.854065|1.765616|1.890968|2.190156|4.052567|5.214783|13.187715|5.881506|4.329985|4.355671|3.783942|3.370280|3.356417|3.745814|0.143656|0.220809|0.217874|0.123883|0.104903|0.107854|0.107848|0.500000| |2.846609|5.120555|3.441795|3.107644|3.350048|4.407353|6.412284|0.108855|7.042241|9.004738|5.631698|4.491062|17.595197|8.846609|9.854557|5.384473|0.159976|4.372997|6.234173|6.471668|6.400122|42.654902|3.741201|3.099841|2.612830|2.531037|2.847101|3.517016|4.028545|3.864260|7.989511|4.143518|2.693364|2.634874|2.289156|2.076575|2.104854|2.366691|0.068175|0.082825|0.083909|0.073503|0.081550|0.182229|0.197773|0.129366|0.500000| |3.720801|6.436210|4.343577|3.586807|3.625632|4.625095|5.912755|0.098937|5.539884|8.975006|6.814914|6.228309|17.604275|8.824946|9.228112|6.031889|0.198998|4.323412|6.338248|5.643781|5.048876|29.968962|3.226177|2.735783|2.317691|2.231174|2.475942|3.008546|4.813574|5.194323|12.399872|5.259931|3.434279|3.423870|2.885769|2.542263|2.546481|2.897392|0.085810|0.109428|0.113716|0.083670|0.085015|0.135018|0.144337|0.203790|0.300646|0.500000| |3.716704|6.397159|4.214064|3.500547|3.489783|4.278569|5.420777|0.092755|4.766631|6.740104|5.872230|5.694602|8.828294|17.683445|12.589604|7.001118|0.173051|4.674610|6.661216|6.113966|5.815469|33.083531|3.386544|3.034785|2.492831|2.285145|2.426399|2.917410|6.635589|6.779973|13.746258|6.619951|4.008658|3.552012|2.941291|2.717944|2.906359|3.498693|0.086603|0.119934|0.103361|0.082766|0.082589|0.133471|0.112246|0.182566|0.174461|0.218788|0.500000| |2.902455|5.248333|3.504121|3.177781|3.396070|4.339299|6.129162|0.105751|5.946509|7.145940|5.355206|4.452351|8.766833|17.674589|12.688170|5.625907|0.136982|4.427663|6.202740|6.672643|7.376495|50.140453|3.771405|3.396678|2.766987|2.516374|2.659425|3.203950|4.740152|4.320858|8.217916|4.673441|2.940643|2.682028|2.317598|2.179346|2.311074|2.676338|0.069781|0.089036|0.080558|0.075532|0.082870|0.192134|0.136005|0.126694|0.206046|0.173563|0.302272|0.500000| |1.756831|3.029323|1.831853|1.703993|1.751121|1.978011|2.787534|0.053171|2.369369|2.489142|2.190668|2.076614|2.930947|3.534204|6.168231|4.273652|0.098865|5.555197|8.978981|9.790683|5.799886|36.124515|8.929303|17.732485|8.896128|5.641315|4.948914|5.640723|3.785850|2.924999|4.781782|3.545616|2.183913|1.995107|1.746347|1.658904|1.763209|2.021216|0.045048|0.052838|0.049354|0.043491|0.045442|0.071602|0.063751|0.060988|0.084680|0.076131|0.089707|0.100386|0.500000| |1.438024|2.495474|1.495066|1.414495|1.458167|1.620035|2.300124|0.044727|1.913881|1.952642|1.747465|1.658347|2.213639|2.483902|4.008406|2.856130|0.071280|3.528402|6.235059|5.679210|3.556846|24.939243|5.667030|8.934841|17.731901|8.908410|5.642040|4.949482|2.593798|2.152841|3.598767|2.694002|1.724333|1.611681|1.443722|1.378514|1.447411|1.617161|0.037363|0.042520|0.040490|0.036547|0.038418|0.057208|0.052643|0.048051|0.064886|0.058323|0.063876|0.070592|0.214657|0.500000| |1.340061|2.328654|1.394618|1.324472|1.368928|1.519797|2.169180|0.042375|1.807024|1.828003|1.631623|1.543718|2.069186|2.206499|3.508109|2.541038|0.066432|3.119572|5.628204|4.924410|3.080555|21.881925|4.975417|5.649630|8.920409|17.726218|8.921601|5.649752|2.248435|1.922574|3.286075|2.397515|1.560117|1.493461|1.347447|1.274178|1.315201|1.450042|0.034882|0.039093|0.038160|0.034279|0.036194|0.053117|0.050944|0.044628|0.062040|0.055213|0.056288|0.061584|0.124070|0.214928|0.500000| |1.457202|2.525768|1.521645|1.435513|1.485601|1.667254|2.384508|0.046215|2.020791|2.060033|1.810765|1.704419|2.386168|2.447786|3.940157|2.892742|0.078537|3.594242|6.436879|5.682958|3.480803|24.040262|5.666596|4.948793|5.641761|8.909402|17.731683|8.932581|2.437674|2.100437|3.661209|2.564627|1.669021|1.625967|1.458266|1.356902|1.382062|1.522371|0.037682|0.042218|0.042088|0.036914|0.039033|0.058408|0.058188|0.049555|0.073653|0.064420|0.061357|0.066596|0.107474|0.124064|0.214933|0.500000| |1.792203|3.084226|1.881617|1.741365|1.799565|2.066286|2.942499|0.055738|2.582619|2.724528|2.319825|2.169526|3.372063|3.433743|5.930131|4.399190|0.121559|5.821821|9.609133|9.813268|5.490424|33.574336|8.931104|5.640598|4.949457|5.641742|8.894606|17.730817|3.344474|2.797520|4.931095|3.265266|2.074684|2.022185|1.772100|1.621596|1.648842|1.844808|0.045612|0.052266|0.052332|0.044119|0.046478|0.074027|0.074433|0.064158|0.107665|0.091462|0.083128|0.089839|0.124273|0.107484|0.124070|0.214611|0.500000| |2.883040|4.683911|2.790672|2.399715|2.337578|2.631925|3.427272|0.062532|2.853529|3.425288|3.177733|3.295661|4.217312|5.863238|9.761007|8.818134|0.174979|6.456260|9.706966|7.062447|5.343619|27.350131|3.889997|3.642770|2.898426|2.556227|2.639806|3.164114|17.537375|8.898009|11.190517|9.407791|4.631082|3.745656|2.983912|2.784192|3.096376|3.981180|0.071764|0.093295|0.080193|0.060281|0.058082|0.081712|0.072659|0.105298|0.104470|0.118126|0.188710|0.140165|0.113279|0.074822|0.062378|0.065247|0.086350|0.500000| |2.702383|4.288131|2.500375|2.147429|2.075941|2.308835|3.009100|0.055346|2.493136|2.966579|2.766096|2.912294|3.683549|4.465264|7.689580|8.968639|0.202911|7.503302|13.391523|6.884153|4.579077|23.448396|3.907267|3.532556|2.873203|2.607162|2.750034|3.309798|17.568569|8.915260|10.780620|10.012462|4.792232|4.083559|3.158782|2.837773|3.048288|3.853498|0.068300|0.085202|0.077563|0.054534|0.051910|0.069777|0.065516|0.094222|0.094754|0.109504|0.133848|0.105266|0.104159|0.073182|0.063676|0.068646|0.092186|0.303016|0.500000| |3.225460|4.878694|2.711061|2.279210|2.125588|2.279158|2.872464|0.053026|2.274623|2.714344|2.706898|3.034139|3.110565|3.638200|5.269561|4.796269|0.123894|3.950597|6.947343|4.369753|3.174863|18.120415|2.673960|2.532450|2.168337|1.988893|2.057090|2.359371|7.666509|9.459306|10.865679|26.031029|9.195555|5.995664|4.372854|4.051376|4.720967|7.008402|0.083242|0.106505|0.089556|0.058834|0.052989|0.062803|0.058795|0.099170|0.077174|0.093198|0.118587|0.088777|0.075356|0.057076|0.050035|0.052610|0.065882|0.200427|0.224633|0.500000| |4.502792|6.132787|3.244327|2.599457|2.336219|2.461200|3.006260|0.055090|2.336395|2.861600|2.980586|3.590435|3.196942|3.212291|4.336742|3.799722|0.117300|3.096768|5.402991|3.556929|2.642905|15.707917|2.217306|2.017852|1.779293|1.706698|1.823824|2.083510|4.456547|6.448187|12.098884|9.717810|8.922525|17.751869|8.902228|5.635717|4.950104|5.645375|0.115905|0.137685|0.142374|0.067325|0.057436|0.061312|0.061760|0.123684|0.078856|0.104793|0.100988|0.076471|0.057280|0.046274|0.043422|0.048118|0.060882|0.105143|0.120944|0.154199|0.500000| |4.695389|6.224961|3.035553|2.495040|2.181207|2.188152|2.645840|0.049385|1.975208|2.327729|2.519118|3.060123|2.433158|2.400812|3.149962|2.573700|0.076699|2.215546|3.885445|2.671795|2.002026|12.504003|1.726880|1.605735|1.449184|1.398704|1.477635|1.644699|2.891278|3.693696|6.932703|5.670342|5.656299|8.940539|17.721061|8.907581|5.648435|4.956960|0.139696|0.130180|0.143602|0.067412|0.054507|0.051636|0.052391|0.097669|0.061031|0.076462|0.074168|0.059793|0.045578|0.038201|0.036130|0.039423|0.047691|0.073517|0.078810|0.100777|0.215136|0.500000| |4.290732|5.953725|2.813584|2.387542|2.069421|2.020951|2.442134|0.046136|1.786196|2.056355|2.253626|2.706492|2.091431|2.129133|2.763620|2.190236|0.062635|1.915683|3.349255|2.356927|1.778907|11.333090|1.541775|1.465951|1.330777|1.271687|1.321125|1.452991|2.504498|3.079695|5.530496|4.919176|4.952213|5.638453|8.905412|17.725404|8.913997|5.643942|0.140565|0.123169|0.113389|0.066429|0.052454|0.047388|0.046781|0.082596|0.052496|0.063160|0.066344|0.054584|0.042145|0.035529|0.033040|0.035111|0.041451|0.066905|0.068016|0.091926|0.123989|0.214677|0.500000| |3.866932|5.656625|2.773392|2.377613|2.089479|2.057688|2.501954|0.047265|1.836837|2.107820|2.291802|2.707885|2.149700|2.292654|2.974827|2.334438|0.064338|2.036974|3.539235|2.512709|1.906226|12.117846|1.637234|1.582167|1.426118|1.340504|1.374457|1.512290|2.780696|3.374614|5.731927|5.696078|5.650725|4.948116|5.646265|8.909933|17.727052|8.930528|0.117174|0.123032|0.096478|0.065521|0.053019|0.049684|0.047352|0.082171|0.053576|0.063331|0.072959|0.059586|0.046292|0.038369|0.034738|0.036135|0.042519|0.077533|0.074966|0.110907|0.107490|0.124094|0.214628|0.500000| |3.775666|5.612573|2.942733|2.476835|2.232178|2.287469|2.808285|0.052337|2.122283|2.487581|2.632468|3.068124|2.630712|2.975010|3.918848|3.138930|0.083381|2.659600|4.571656|3.208173|2.437240|14.986866|2.037686|1.972466|1.737523|1.604430|1.640209|1.833051|4.085903|5.105867|7.822314|9.862865|8.922518|5.641978|4.956132|5.641455|8.900740|17.711189|0.102493|0.130140|0.096493|0.065679|0.055877|0.058274|0.054063|0.096378|0.064604|0.077065|0.098373|0.076260|0.058741|0.046580|0.041072|0.042487|0.051113|0.118206|0.108263|0.200027|0.124229|0.107584|0.124046|0.215107|0.500000| 1913.742906 -12248.817869 4759.377312 -231.406305 -5807.103955 3891.322039 -1915.781916 2.001065 40D26C0000000004 456098F9364FBDAD 44E027E208171BEA 42B783223BA3FFFC 347C4FBDE1FC4CFD 44E85FE20012E465