Version2.0 2020-01-27T12:29:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)NC(=O)C2CCN(CC2)c3c(c[nH+]c4c3c(ns4)C)C(=O)N5CCC(CC5)C C65301166 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)NC(=O)C2CCN(CC2)c3c(c[nH+]c4c3c(ns4)C)C(=O)N5CCC(CC5)C C01[X(C28H36N5O2S1)] 210 C1 616 CCc1ccc(cc1)NC(=O)C1CCN(CC1)c1c(c[nH+]c2c1c(C)ns2)C(=O)N1CCC(CC1)C CCc1ccc(cc1)NC(=O)C1CCN(CC1)c1c(c[nH+]c2c1c(C)ns2)C(=O)N1CCC(CC1)C CCc1ccc(NC(=O)C2CCN(CC2)c3c(c[nH+]c4snc(C)c34)C(=O)N5CCC(C)CC5)cc1 InChIKey=CAOBYEJTNWTOTL-UHFFFAOYSA-O InChI=1S/C28H35N5O2S/c1-4-20-5-7-22(8-6-20)30-26(34)21-11-15-32(16-12-21)25-23(17-29-27-24(25)19(3)31-36-27)28(35)33-13-9-18(2)10-14-33/h5-8,17-18,21H,4,9-16H2,1-3H3,(H,30,34)/p+1 InChI=1/C28H35N5O2S/c1-4-20-5-7-22(8-6-20)30-26(34)21-11-15-32(16-12-21)25-23(17-29-27-24(25)19(3)31-36-27)28(35)33-13-9-18(2)10-14-33/h5-8,17-18,21H,4,9-16H2,1-3H3,(H,30,34)/p+1/fC28H36N5O2S/h29-30H/q+1 CCc1ccc(cc1)NC(=O)C2CCN(CC2)c3c(c[nH+]c4c3c(ns4)C)C(=O)N5CCC(CC5)C C01[X(C28H36N5O2S1)] 210 C01 616 CCc1ccc(cc1)NC(=O)C1CCN(CC1)c1c(c[nH+]c2c1c(C)ns2)C(=O)N1CCC(CC1)C CCc1ccc(cc1)NC(=O)[C@@H]1CCN(CC1)[C@@H]1[C@H]2[C@@H](NC[C@H]1C(=O)N1CC[C@H](CC1)C)SN=C2C CCc1ccc(NC(=O)[C@@H]2CCN(CC2)[C@H]3[C@@H](CN[C@H]4SN=C(C)[C@@H]34)C(=O)N5CC[C@@H](C)CC5)cc1 InChIKey=YGOWHBRUHLPPJP-AQCTUAEDSA-N InChI=1S/C28H41N5O2S/c1-4-20-5-7-22(8-6-20)30-26(34)21-11-15-32(16-12-21)25-23(17-29-27-24(25)19(3)31-36-27)28(35)33-13-9-18(2)10-14-33/h5-8,18,21,23-25,27,29H,4,9-17H2,1-3H3,(H,30,34)/t23-,24+,25+,27+/m1/s1 InChI=1/C28H41N5O2S/c1-4-20-5-7-22(8-6-20)30-26(34)21-11-15-32(16-12-21)25-23(17-29-27-24(25)19(3)31-36-27)28(35)33-13-9-18(2)10-14-33/h5-8,18,21,23-25,27,29H,4,9-17H2,1-3H3,(H,30,34)/t23-,24+,25+,27+/m1/s1/f/h30H 3954.8026370625 -1900.5907248 1-A 30766.0777 135 481 616 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894.15 925.52 946.23 949.95 1003.84 1010.08 1046.18 1069.77 1097.03 1127.35 1165.72 1187.34 1203.31 1214.99 1224.08 1225.24 1243.65 1249.33 1265.85 1273.06 1286.22 1295.53 1312.16 1338.03 1371.30 1381.80 1396.94 1438.17 1487.97 1497.77 1503.33 1507.05 1528.14 1530.55 1541.86 1546.31 1567.07 1570.58 1587.38 1594.98 1605.49 1607.80 1629.01 1633.75 1661.55 1673.94 1686.70 1704.87 1708.58 1724.08 1735.97 1745.36 1767.37 1797.43 1805.92 1839.81 1854.38 1863.71 1866.15 1872.77 1887.73 1892.95 1911.94 1923.95 1929.77 1969.71 1996.27 2004.73 2023.33 2024.76 2026.08 2038.56 2044.66 2065.99 2071.54 2101.70 2110.85 2114.08 2116.73 2144.19 2154.50 2162.12 2185.67 2186.39 2197.74 2207.36 2228.09 2235.72 2244.05 2247.10 2256.10 2257.52 2259.70 2280.45 2306.22 2321.02 2327.01 2335.24 2335.95 2346.08 2351.45 2352.58 2353.77 2360.21 2363.70 2364.68 2369.06 2376.24 2379.26 2389.52 2396.26 2408.80 2434.44 2480.19 2508.98 2565.98 2586.80 2591.99 2623.54 2754.16 2799.43 4567.23 4587.16 4601.18 4603.24 4607.56 4608.95 4609.70 4617.42 4622.58 4629.81 4648.23 4658.05 4665.12 4673.72 4674.88 4678.92 4682.82 4700.16 4706.42 4712.17 4713.78 4731.01 4763.96 4765.96 4778.68 4786.90 4796.76 4802.76 4813.10 4826.38 4834.61 4844.18 4934.33 4980.23 5509.58 5588.86 0.659785 0.691623 0.692567 0.591573 -1899.930940 -1899.899102 -1899.898157 -1899.999152 3.387389D-04 MUNgauss RevisionA2.0 retrievium 27-Jan-2020 DUDE CCc1ccc(cc1)NC(=O)C2CCN(CC2)c3c(c[nH+]c4c3c(ns4)C)C(=O)N5CCC(CC5)C C65301166 RHF 6-31G(d) (6D,10F) C1 506.258972 |X|Y|Z| 152.575383 80.814156 30.915171 72.507209 30 6 7 16 24 5 1 |36.858105| |12.422636|36.858105| |7.501805|12.584298|36.858105| |5.641269|7.527269|13.726660|36.858105| |4.142772|4.988827|7.838003|13.742799|36.858105| |3.735669|4.408403|6.784810|7.959706|13.727773|36.858105| |4.157147|5.005578|7.890471|6.942325|7.951179|13.709566|36.858105| |5.651788|7.526554|13.706005|8.027670|6.878394|7.917128|13.792678|36.858105| |2.944863|3.320511|4.510216|5.117828|7.691354|13.432734|7.964973|5.186991|53.358707| |2.565411|2.836652|3.649430|4.303785|6.252920|7.620866|5.161537|3.894592|19.212091|36.858105| |2.563719|2.827787|3.582217|4.465705|6.527439|6.477706|4.430678|3.593167|11.439781|15.857620|73.516695| |2.161895|2.345094|2.880846|3.217542|4.184392|4.993441|3.982350|3.122911|10.657661|12.468405|14.336665|36.858105| |2.019976|2.129104|2.551118|2.846046|3.567836|4.002792|3.303265|2.707085|7.443028|7.621040|11.537489|12.422971|36.858105| |1.751196|1.835198|2.143693|2.332208|2.798569|3.108924|2.710710|2.281111|5.433407|4.939135|7.806650|7.570212|12.497051|36.858105| |1.635009|1.731397|2.005215|2.190000|2.605090|2.833205|2.472225|2.110086|4.838012|4.437636|7.345757|6.505063|7.780989|12.950987|53.358707| |1.694785|1.826895|2.133959|2.325847|2.790344|3.086849|2.686705|2.265351|5.378655|4.929100|7.871503|7.497436|6.568976|7.760290|17.488942|36.858105| |1.939946|2.124525|2.547515|2.841690|3.560301|3.992465|3.297016|2.703150|7.415054|7.632658|11.608271|12.420543|7.610954|6.530160|10.372420|12.493564|36.858105| |1.467967|1.543874|1.757390|1.903181|2.209006|2.360421|2.103850|1.835465|3.864244|3.386955|5.784841|4.451801|5.183820|7.734053|19.195682|7.801298|5.132360|36.858105| |1.378054|1.435129|1.618428|1.729131|1.976707|2.120532|1.930518|1.698439|3.413168|2.876606|4.860697|3.661434|4.309869|6.438570|10.602786|5.326123|3.895034|13.267991|36.858105| |1.256500|1.304710|1.454422|1.546771|1.742436|1.847359|1.699330|1.516857|2.904571|2.404795|4.128516|2.923635|3.317506|4.423912|7.072081|4.069041|3.138828|7.867066|14.016112|36.858105| |1.208498|1.259022|1.397091|1.491472|1.672571|1.752051|1.607311|1.445253|2.725523|2.263544|3.955704|2.690079|2.971910|3.734216|6.240156|3.804384|2.982302|6.789601|8.038416|14.205336|53.358707| |1.136604|1.181191|1.301845|1.384009|1.538486|1.604721|1.482903|1.343678|2.466895|2.023704|3.548245|2.358063|2.574345|3.134428|5.031410|3.192494|2.587916|5.007013|5.835580|9.377881|25.944540|0.500000| |1.261052|1.322314|1.473444|1.587527|1.792129|1.864497|1.690007|1.516046|2.911758|2.462709|4.364578|2.926358|3.190745|3.914950|7.060339|4.370500|3.384117|7.835843|6.955928|8.214568|19.310996|0.259068|36.858105| |1.387046|1.462723|1.649749|1.794013|2.059820|2.154099|1.921008|1.701035|3.436961|2.994880|5.303926|3.685152|4.053900|5.099364|10.671429|6.146748|4.450374|13.297188|7.842825|6.943551|10.858186|0.160749|13.766068|36.858105| |1.412396|1.499357|1.689454|1.858769|2.134709|2.188230|1.929356|1.719744|3.446584|3.040147|5.587837|3.569781|3.765159|4.237259|8.226988|5.542480|4.497032|7.146685|4.928880|4.558312|7.213899|0.121809|8.254835|12.910386|36.858105| |1.305410|1.382173|1.538790|1.683554|1.901017|1.929521|1.722706|1.557140|2.970181|2.551114|4.712918|2.889691|3.012354|3.323157|5.909717|4.114274|3.506971|5.130089|4.051773|4.071637|6.900373|0.124231|7.826587|8.209025|14.914874|53.358707| |1.195224|1.255857|1.387356|1.498167|1.673246|1.712630|1.554853|1.412303|2.621194|2.199123|3.979965|2.506230|2.651938|3.031062|5.197090|3.504223|2.917671|4.848493|4.289608|4.832134|9.516219|0.182059|11.139775|7.422809|7.713400|15.581970|388.023441| |1.557847|1.668613|1.900107|2.130410|2.487727|2.513462|2.161816|1.916643|3.978483|3.642009|6.984017|4.146965|4.223231|4.313130|7.991008|5.876800|5.483966|5.648197|4.004777|3.547539|5.196154|0.091249|5.060515|7.125438|12.683243|10.906299|34.868210|36.858105| |1.407953|1.459291|1.648237|1.739367|1.983672|2.168071|2.004590|1.753477|3.506066|2.872489|4.709534|3.686549|4.339315|6.609641|8.618708|4.758931|3.662594|7.337920|12.525362|7.857982|7.041484|0.119209|4.509242|4.950345|3.640736|4.209368|22.835502|3.213452|36.858105| |1.440327|1.502719|1.704111|1.784173|2.038135|2.265324|2.114780|1.834598|3.700164|2.981192|4.767560|3.901919|4.295440|6.294975|8.290970|5.152334|3.894678|6.316081|8.202681|5.903790|5.951522|0.103500|3.988261|4.448441|3.410848|3.951713|21.048049|3.085972|15.855069|73.516695| |1.368011|1.402081|1.571816|1.651191|1.863592|2.022592|1.886600|1.667170|3.209459|2.585778|4.283306|3.178486|3.815748|5.294841|6.382479|3.663105|3.042430|5.198280|7.735328|6.302605|5.958825|0.106594|3.744547|3.925113|3.055973|3.645141|19.986223|2.750464|14.164909|15.005230|53.358707| |1.358787|1.385229|1.546496|1.602890|1.792360|1.963574|1.867536|1.655634|3.083492|2.408673|3.939778|2.896964|3.353007|4.298238|5.050923|3.127864|2.704084|3.851493|4.996633|4.383753|4.559822|0.084924|2.944190|3.068383|2.512612|3.049744|16.576541|2.325162|7.882506|12.341166|17.660868|36.858105| |1.240921|1.257083|1.386447|1.431241|1.578482|1.706419|1.635569|1.473149|2.620914|2.030030|3.377379|2.360569|2.683906|3.260144|4.006325|2.539637|2.237274|3.127380|3.970359|3.836636|4.146680|0.080230|2.631320|2.639778|2.206108|2.748631|15.239856|2.030605|5.279705|8.330755|10.550695|12.484093|36.858105| |1.221949|1.229986|1.351284|1.403134|1.542890|1.646175|1.567164|1.421310|2.506150|1.955826|3.307388|2.235735|2.595735|3.086149|3.787043|2.361055|2.113371|2.975239|3.707475|3.653043|4.041753|0.078873|2.576133|2.565018|2.169436|2.722728|15.113207|2.001168|4.491237|6.765717|8.899995|7.499003|12.433125|36.858105| |1.233367|1.247126|1.374806|1.443013|1.597517|1.691264|1.587225|1.435662|2.591522|2.064840|3.532909|2.381790|2.826045|3.449568|4.325043|2.599115|2.287818|3.539148|4.591078|4.645676|4.993750|0.096446|3.104649|3.049834|2.521795|3.155767|17.753176|2.279003|5.199144|7.222100|10.533783|6.526669|7.615988|12.427317|36.858105| |1.349547|1.372605|1.531203|1.619785|1.820622|1.941809|1.798390|1.604395|3.038193|2.467648|4.190302|2.937417|3.641363|4.759802|5.728416|3.239615|2.793913|4.694986|6.413739|5.696343|5.737602|0.104411|3.640998|3.756836|3.001136|3.623842|19.889849|2.713331|7.638194|9.435150|17.712230|7.748534|6.558223|7.526959|12.481778|36.858105| |1.119956|1.123658|1.222784|1.264241|1.375357|1.456217|1.396154|1.280339|2.185020|1.691152|2.883027|1.896397|2.151367|2.480982|3.130383|2.003224|1.813203|2.464957|2.975288|3.052093|3.535600|0.071051|2.259631|2.204938|1.904121|2.437386|13.665787|1.757458|3.399765|5.335645|5.999219|4.887179|7.513106|12.469854|7.519388|4.896806|36.858105| |17.554219|8.765343|6.793852|5.942931|4.363088|3.768314|3.963131|5.024080|4.067928|2.651646|4.798336|2.215203|2.097887|1.803942|2.284817|1.724702|1.978428|1.506243|1.411168|1.285362|1.683470|0.032280|1.292811|1.424417|1.454169|1.827504|8.717280|1.610498|1.436117|2.594274|1.904397|1.383019|1.263246|1.251743|1.268613|1.390496|1.145740|0.500000| |17.552150|8.763277|6.791534|5.013619|3.945450|3.764812|4.375792|5.959640|4.081456|2.572985|4.480243|2.191675|2.054545|1.785910|2.247435|1.706200|1.942441|1.480689|1.398584|1.272435|1.656333|0.031780|1.263315|1.388603|1.401934|1.759166|8.459616|1.536097|1.441795|2.629571|1.913765|1.407202|1.283854|1.260865|1.264612|1.382941|1.154227|0.301787|0.500000| |17.551688|8.779131|5.478938|4.415801|3.401741|3.100963|3.410274|4.420882|3.444899|2.246048|4.006001|1.928226|1.812571|1.592642|2.038182|1.549920|1.754589|1.356144|1.278077|1.172953|1.540461|0.029680|1.178942|1.288528|1.313414|1.663020|7.986934|1.440957|1.303440|2.367501|1.727881|1.262596|1.160800|1.144643|1.153839|1.254228|1.055234|0.301207|0.301240|0.500000| |8.853922|17.548475|8.921528|7.129577|4.717839|3.971344|4.219252|5.671267|4.181040|2.705481|4.908312|2.239453|2.038516|1.763143|2.289692|1.776927|2.065808|1.507024|1.395032|1.273576|1.683326|0.032278|1.304576|1.440955|1.490169|1.878675|8.881330|1.666473|1.406112|2.564602|1.835418|1.324087|1.205331|1.183057|1.205657|1.324900|1.083612|0.210728|0.172987|0.213186|0.500000| |8.853278|17.544792|8.918341|5.675792|4.205761|3.967505|4.723598|7.121568|4.195771|2.622815|4.572007|2.215401|1.999020|1.746448|2.252409|1.756917|2.025326|1.481655|1.382983|1.261109|1.656430|0.031782|1.274542|1.404225|1.434569|1.805273|8.611557|1.585097|1.411404|2.598424|1.843733|1.345083|1.223039|1.190678|1.202243|1.318410|1.090717|0.172999|0.210670|0.213187|0.304289|0.500000| |5.527976|6.984538|8.930320|17.700078|8.988465|5.670861|4.986667|5.680707|5.648644|3.742279|7.212287|2.879440|2.610460|2.165313|2.797709|2.163475|2.607651|1.807139|1.642154|1.480255|1.956005|0.037168|1.533399|1.723573|1.802147|2.239997|10.393418|2.070558|1.637136|2.961961|2.123133|1.507454|1.356306|1.338703|1.382278|1.543256|1.212387|0.172057|0.128670|0.124930|0.213602|0.143871|0.500000| |3.540906|4.083692|5.616115|8.924885|17.826109|8.908858|5.653028|4.963372|9.485156|6.814040|14.968775|4.417653|3.836759|2.953603|3.784166|2.954305|3.829826|2.348060|2.071938|1.823124|2.395909|0.044831|1.904914|2.207780|2.322337|2.801084|12.701416|2.767757|2.046479|3.698513|2.608119|1.817214|1.599792|1.574329|1.648307|1.888746|1.400726|0.106054|0.092942|0.083364|0.112208|0.097106|0.217411|0.500000| |3.548924|4.089287|5.631340|4.985171|5.644592|8.890939|17.681946|8.951360|10.009613|4.839125|7.087985|4.029270|3.315553|2.781661|3.425112|2.750521|3.310750|2.140459|1.982453|1.739874|2.223308|0.041847|1.705024|1.933591|1.915536|2.324542|11.060679|2.115532|2.090457|3.975085|2.672648|1.966691|1.712274|1.622554|1.629729|1.847044|1.441683|0.093231|0.106314|0.083492|0.097214|0.112191|0.108048|0.124032|0.500000| |5.535531|6.966713|8.903815|5.676802|4.953871|5.647926|8.975129|17.702815|5.744145|3.284834|5.370160|2.762061|2.426477|2.094474|2.642780|2.079189|2.423999|1.707290|1.596518|1.434707|1.858843|0.035418|1.423413|1.583459|1.591387|1.973376|9.437271|1.751424|1.659185|3.097665|2.157274|1.589199|1.422596|1.367868|1.371270|1.520243|1.238581|0.128903|0.172703|0.124997|0.143458|0.212496|0.124389|0.107684|0.217665|0.500000| |2.767497|3.086778|4.066167|4.296454|5.741665|9.335252|7.685663|4.938292|26.086289|9.519209|10.884803|7.636488|5.296947|4.074091|4.858624|4.009170|5.272105|2.854923|2.561795|2.171134|2.744036|0.050699|2.129793|2.499365|2.454772|2.883824|13.492141|2.761200|2.695060|5.165702|3.345904|2.398524|2.019444|1.903866|1.947394|2.283356|1.654031|0.076740|0.079756|0.066693|0.078428|0.081630|0.098279|0.142900|0.236255|0.117206|0.500000| |2.144809|2.323916|2.847765|3.067800|3.879453|4.878000|4.150404|3.194425|10.377227|8.791798|10.439578|17.516428|8.878136|6.898940|7.785795|6.713719|8.847038|4.114515|3.559419|2.852291|3.517448|0.063353|2.744020|3.359968|3.162533|3.562030|16.615587|3.499917|3.780227|7.455226|4.428827|3.061772|2.460462|2.280209|2.378823|2.912640|1.929354|0.060286|0.061171|0.053188|0.060893|0.061799|0.075304|0.108147|0.123246|0.079829|0.249869|0.500000| |2.122711|2.203924|2.646270|2.921372|3.633997|4.135646|3.467752|2.833156|7.520564|6.867549|10.268792|8.799109|17.548688|8.945705|7.680621|4.896035|5.516927|4.222186|3.792755|3.000803|3.627128|0.065180|2.785125|3.382039|3.134472|3.536765|16.675768|3.431876|4.026545|7.071058|5.096165|3.425589|2.745043|2.672637|2.844868|3.626543|2.205548|0.061472|0.060644|0.052622|0.057964|0.057274|0.073868|0.106062|0.097245|0.070669|0.151549|0.215017|0.500000| |2.010652|2.114588|2.517392|2.873433|3.601924|3.819918|3.095849|2.598018|6.711758|7.121978|12.859732|8.856367|17.592397|8.828681|9.568726|5.816330|6.868058|5.014366|4.057542|3.215207|4.031884|0.071440|3.254342|4.167080|4.056618|4.387959|19.646614|4.777702|3.847612|6.540829|4.703092|2.992692|2.473424|2.452294|2.719203|3.455001|2.059437|0.058638|0.056180|0.050226|0.056892|0.054657|0.074649|0.112180|0.083907|0.064281|0.125387|0.174211|0.302534|0.500000| |1.733963|1.816400|2.118572|2.261127|2.685486|3.058758|2.743280|2.295000|5.350536|4.554036|6.908986|6.900092|8.868699|17.612505|12.290141|6.978800|5.799701|6.418119|6.065763|4.252127|4.773090|0.083030|3.545878|4.381353|3.627031|4.008544|19.660598|3.615791|7.413053|14.296410|7.856381|4.959342|3.568740|3.228785|3.470935|4.716243|2.570189|0.049199|0.049522|0.043840|0.048117|0.048418|0.057804|0.076808|0.080147|0.059169|0.116894|0.206523|0.215736|0.173651|0.500000| |1.671238|1.729478|1.995151|2.166974|2.555689|2.776741|2.448344|2.101053|4.655159|4.108821|6.805580|5.517208|8.886718|17.602567|12.439757|5.640247|4.884780|7.353037|6.939657|4.765000|5.321325|0.091203|3.973918|4.969540|4.049639|4.423499|21.648202|3.984488|7.097582|10.511039|8.485119|4.746349|3.600774|3.532275|4.101078|6.097493|2.768776|0.048083|0.047367|0.042404|0.046251|0.045618|0.056499|0.075145|0.069298|0.053881|0.095795|0.141348|0.216245|0.214238|0.300791|0.500000| |1.663709|1.791701|2.086811|2.230801|2.644610|2.992995|2.681498|2.252620|5.201639|4.460573|6.853987|6.676043|5.711104|7.037419|12.514091|17.529638|8.829732|6.636912|5.208682|4.004651|4.944322|0.085825|3.956907|5.121103|4.433436|4.779834|22.495831|4.452028|5.093972|10.826770|5.207774|3.359775|2.681477|2.423943|2.612966|3.230495|2.051028|0.046670|0.046865|0.042325|0.048070|0.048281|0.057196|0.075901|0.078073|0.058092|0.112668|0.194440|0.127288|0.133175|0.208876|0.144090|0.500000| |1.591489|1.719502|1.984215|2.160995|2.548671|2.754423|2.421879|2.082832|4.605250|4.107205|6.890781|5.481373|4.933014|5.637067|12.325956|17.662551|8.826214|7.419794|5.006278|4.076859|5.496382|0.094201|4.896483|7.015810|6.771517|6.688466|28.638872|6.915941|4.219085|7.960726|4.487666|2.813728|2.350412|2.198421|2.435647|2.960715|1.895684|0.044934|0.044245|0.040702|0.046850|0.046079|0.056491|0.075276|0.068340|0.053373|0.094115|0.138110|0.108072|0.130675|0.142586|0.126771|0.303739|0.500000| |1.945115|2.131282|2.543724|2.907190|3.652594|3.874337|3.131948|2.625222|6.817281|7.308547|13.295985|8.939008|6.804036|5.616770|9.116666|8.823021|17.649080|4.845357|3.629215|2.999855|3.985081|0.070882|3.408308|4.513365|4.954429|5.201322|21.592262|6.863415|3.291529|5.989512|3.811475|2.468342|2.083528|2.005347|2.194437|2.656068|1.735384|0.055593|0.053520|0.048948|0.058282|0.055926|0.075478|0.113897|0.084808|0.064889|0.126818|0.175032|0.139728|0.200626|0.131889|0.125717|0.173406|0.215076|0.500000| |1.962253|2.183393|2.622898|2.889154|3.583560|4.082339|3.438885|2.811841|7.411879|6.789207|10.177617|8.796825|5.522340|4.931674|7.605941|8.966601|17.546826|4.206129|3.354783|2.798993|3.663803|0.065981|3.025230|3.806154|3.906225|4.336145|19.083894|4.651269|3.215877|6.230607|3.678638|2.462717|2.065143|1.935409|2.065304|2.463405|1.681341|0.054983|0.054472|0.049381|0.059023|0.058399|0.073102|0.104442|0.096772|0.070292|0.149977|0.216400|0.123382|0.139646|0.131292|0.108118|0.218835|0.212330|0.303287|0.500000| |1.200581|1.240561|1.375103|1.451673|1.621760|1.721464|1.600927|1.437012|2.680444|2.180646|3.728758|2.608877|2.940099|3.814439|5.687364|3.417354|2.733707|5.593023|8.965159|17.764401|12.650968|0.229489|5.836430|4.994761|3.634403|4.569007|28.383614|2.957838|7.316468|9.899959|9.168176|4.790204|4.424852|4.164446|5.350648|6.005527|3.498756|0.034059|0.033874|0.031217|0.033574|0.033398|0.038599|0.046802|0.045710|0.037981|0.055982|0.071864|0.075939|0.078541|0.105505|0.115140|0.095955|0.094020|0.072281|0.068839|0.500000| |1.603146|1.737112|1.989426|2.226764|2.614390|2.666084|2.289924|2.017597|4.251465|3.885519|7.325702|4.429666|4.160227|4.161416|7.684158|6.620441|6.437999|5.128405|3.707662|3.267419|4.710871|0.083646|4.430641|6.014143|8.875793|8.738897|30.470212|17.606339|3.084487|5.451853|3.557064|2.251896|1.957718|1.901299|2.126753|2.515316|1.674045|0.045748|0.043863|0.041135|0.048205|0.046033|0.059706|0.080325|0.062382|0.051139|0.082133|0.104242|0.093632|0.125480|0.099995|0.102610|0.137238|0.235302|0.228962|0.158537|0.076773|0.500000| |1.518576|1.624156|1.831678|2.061945|2.374105|2.347018|2.026479|1.823720|3.612869|3.239040|6.374571|3.494971|3.556444|3.536554|6.049448|4.431744|4.358624|4.386612|3.358112|3.089933|4.599887|0.083309|4.374551|5.474878|9.057377|10.568855|33.161983|17.641065|2.756702|4.691841|3.303068|2.080605|1.850057|1.842296|2.091099|2.435283|1.639208|0.043746|0.041341|0.039193|0.045424|0.042770|0.056428|0.073857|0.054608|0.046334|0.069088|0.083142|0.083271|0.112809|0.084165|0.093349|0.099113|0.140171|0.149987|0.107482|0.073203|0.302724|0.500000| |1.659706|1.770469|2.035643|2.305598|2.738490|2.766620|2.338050|2.053072|4.455276|4.243178|8.316519|4.886709|5.268660|5.158758|9.307779|6.260708|6.202901|5.996861|4.201974|3.571648|4.999191|0.087199|4.632050|6.608276|8.875121|8.114739|29.828389|17.630558|3.422179|5.766807|4.015923|2.479096|2.139565|2.122966|2.425435|2.948450|1.842911|0.047946|0.045549|0.042381|0.048907|0.046390|0.062010|0.085766|0.063255|0.051718|0.084786|0.109590|0.114804|0.177906|0.113966|0.132256|0.128407|0.180621|0.227051|0.135795|0.083003|0.300879|0.300214|0.500000| |1.357099|1.391620|1.555536|1.602935|1.791939|1.981481|1.899433|1.677912|3.123593|2.415714|3.904789|2.931067|3.264281|4.166579|5.024269|3.234788|2.764979|3.787279|4.803739|4.213733|4.446410|0.082926|2.892254|3.022934|2.480939|3.011856|16.343838|2.297801|7.694565|14.594967|12.495200|17.692023|8.805822|5.478448|4.908593|5.659307|4.062106|0.038152|0.039083|0.035038|0.036895|0.037728|0.041697|0.050154|0.056097|0.044916|0.068355|0.088039|0.091458|0.079817|0.139276|0.120257|0.099894|0.080848|0.069001|0.070998|0.126623|0.062784|0.056880|0.067316|0.500000| |1.443592|1.464099|1.640731|1.698067|1.903116|2.097263|1.997762|1.763767|3.299414|2.557176|4.151191|3.055578|3.601896|4.477781|4.956218|3.080654|2.749555|3.600786|4.377543|3.741468|4.038387|0.075097|2.694886|2.871764|2.406847|2.905243|15.454960|2.282318|6.405724|10.479176|12.412665|17.514180|8.817415|6.715579|5.706185|6.958613|4.483373|0.040891|0.041735|0.037122|0.038681|0.039387|0.044181|0.053384|0.058589|0.046985|0.071579|0.090363|0.106335|0.088115|0.145195|0.138591|0.091235|0.075706|0.069634|0.069270|0.108856|0.061497|0.056886|0.068545|0.302593|0.500000| |1.178740|1.198876|1.318339|1.360841|1.497168|1.613126|1.546872|1.397663|2.471287|1.917846|3.204127|2.229610|2.491467|3.033294|3.877992|2.486361|2.161184|3.108135|4.011182|4.090525|4.415840|0.086953|2.731206|2.671889|2.217726|2.792686|15.792505|2.009907|5.154572|8.225361|9.426622|8.890929|17.511498|8.834510|6.814900|5.722380|6.935320|0.033265|0.033765|0.030714|0.032038|0.032480|0.035910|0.042208|0.044932|0.037538|0.052796|0.064362|0.069457|0.064256|0.091487|0.091464|0.073172|0.064974|0.056020|0.055803|0.137822|0.053914|0.050936|0.058052|0.216483|0.173722|0.500000| |1.230035|1.241704|1.364405|1.397628|1.531716|1.661066|1.609636|1.455645|2.530832|1.931064|3.199703|2.216487|2.477185|2.918402|3.568370|2.321404|2.082597|2.720476|3.308620|3.180467|3.558841|0.069379|2.306490|2.327453|1.985141|2.485047|13.652508|1.852490|4.275698|7.186450|7.661084|8.918177|17.550084|8.808382|5.522075|4.909818|6.827558|0.034679|0.035497|0.032012|0.032969|0.033664|0.036728|0.042814|0.047045|0.039287|0.054472|0.064840|0.071274|0.063218|0.089550|0.087589|0.068526|0.059676|0.053779|0.053984|0.099280|0.050023|0.047145|0.054126|0.211617|0.215936|0.303032|0.500000| |1.278321|1.279485|1.407009|1.459943|1.604973|1.713841|1.633139|1.480997|2.602986|2.021781|3.414161|2.291546|2.690754|3.130338|3.725324|2.325741|2.122070|2.842264|3.418692|3.250365|3.660996|0.070803|2.399470|2.439117|2.094349|2.613015|14.229516|1.967419|4.129319|6.345247|7.903186|6.846657|8.920289|17.482324|8.933684|6.881730|8.923361|0.036463|0.036763|0.033198|0.034079|0.034321|0.038641|0.045401|0.046945|0.039575|0.054907|0.064962|0.078750|0.070485|0.090879|0.100341|0.066045|0.059538|0.055990|0.053844|0.098683|0.051969|0.050415|0.058586|0.139987|0.200364|0.174219|0.215671|0.500000| |1.171784|1.189625|1.307614|1.371423|1.514200|1.599383|1.503302|1.363567|2.444875|1.948645|3.343923|2.248223|2.610638|3.193131|4.183221|2.545177|2.209140|3.539877|4.702288|5.206629|5.576308|0.110720|3.315344|3.131548|2.562639|3.254862|18.864788|2.266659|5.074284|7.101059|9.411906|5.704798|6.817046|8.834419|17.496839|8.867540|6.943467|0.033396|0.033281|0.030535|0.032044|0.031943|0.036568|0.043424|0.042872|0.036237|0.051017|0.062342|0.071650|0.070095|0.089200|0.102426|0.071254|0.067444|0.058970|0.055801|0.181134|0.058781|0.057894|0.065899|0.128438|0.131698|0.199728|0.139422|0.174357|0.500000| |1.217823|1.225715|1.345943|1.417024|1.562422|1.637889|1.533357|1.395599|2.486899|1.984044|3.436879|2.247885|2.677763|3.161384|3.974569|2.401577|2.154625|3.217463|3.957127|4.023125|4.565580|0.089200|2.909258|2.853805|2.418625|3.055861|17.096593|2.205765|4.204753|6.029534|7.654283|4.891419|5.520072|8.796363|17.545677|8.908790|6.825531|0.034936|0.034617|0.031698|0.032993|0.032726|0.037907|0.044954|0.043429|0.036981|0.051449|0.061634|0.075310|0.073065|0.086221|0.104859|0.066056|0.062876|0.058216|0.054012|0.123502|0.056714|0.056921|0.065448|0.107925|0.127977|0.139319|0.123393|0.216008|0.302570|0.500000| |1.430810|1.447137|1.619852|1.716608|1.935262|2.066409|1.908145|1.697930|3.235724|2.624720|4.449593|3.096354|3.969341|5.009741|5.599122|3.181864|2.839973|4.278278|5.265524|4.490635|4.818223|0.088074|3.216161|3.429126|2.838606|3.404128|18.124601|2.656270|6.253333|8.449612|12.452635|7.002116|5.772499|6.797929|8.861724|17.509905|4.516993|0.041113|0.040853|0.036806|0.038666|0.038452|0.045340|0.055750|0.054334|0.044567|0.067392|0.085055|0.114304|0.104310|0.136597|0.186218|0.087511|0.079330|0.075142|0.069121|0.125849|0.068543|0.066493|0.081765|0.143596|0.207657|0.132703|0.129305|0.203770|0.173850|0.216314|0.500000| |1.343583|1.371879|1.531432|1.633969|1.842919|1.946528|1.783378|1.592601|3.048608|2.521504|4.350541|3.004221|3.758173|4.952353|6.319893|3.444913|2.931528|5.508895|7.611185|6.868014|6.880719|0.121741|4.347030|4.457594|3.469940|4.164119|23.029622|3.060104|7.237999|8.859689|12.373265|5.628588|4.902345|5.488414|8.819807|17.648499|4.066250|0.038558|0.038021|0.034696|0.036976|0.036506|0.043456|0.053659|0.050462|0.041708|0.062879|0.080718|0.100522|0.102278|0.127939|0.180145|0.092579|0.088746|0.078764|0.070973|0.186778|0.077013|0.076030|0.092631|0.127159|0.142830|0.127882|0.107892|0.140863|0.214734|0.213340|0.303486|0.500000| 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