Version2.0 2020-01-31T13:13:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)CCOc2ccc(cc2)C(=O)NC(=S)Nc3ccccc3C(=O)NCc4ccco4 C14041739 RHF 6-31G(d) (6D,7F) c1ccc(cc1)CCOc2ccc(cc2)C(=O)NC(=S)Nc3ccccc3C(=O)NCc4ccco4 C01[X(C28H25N3O4S1)] 177 C1 594 S=C(Nc1ccccc1C(=O)NCc1ccco1)NC(=O)c1ccc(cc1)OCCc1ccccc1 S=C(Nc1ccccc1C(=O)NCc1ccco1)NC(=O)c1ccc(cc1)OCCc1ccccc1 O=C(NCc1occc1)c2ccccc2NC(=S)NC(=O)c3ccc(OCCc4ccccc4)cc3 InChIKey=VXFNLQQHQHBDDI-UHFFFAOYSA-N InChI=1S/C28H25N3O4S/c32-26(21-12-14-22(15-13-21)35-18-16-20-7-2-1-3-8-20)31-28(36)30-25-11-5-4-10-24(25)27(33)29-19-23-9-6-17-34-23/h1-15,17H,16,18-19H2,(H,29,33)(H2,30,31,32,36) InChI=1/C28H25N3O4S/c32-26(21-12-14-22(15-13-21)35-18-16-20-7-2-1-3-8-20)31-28(36)30-25-11-5-4-10-24(25)27(33)29-19-23-9-6-17-34-23/h1-15,17H,16,18-19H2,(H,29,33)(H2,30,31,32,36)/f/h29-31H c1ccc(cc1)CCOc2ccc(cc2)C(=O)NC(=S)Nc3ccccc3C(=O)NCc4ccco4 C01[X(C28H25N3O4S1)] 177 C01 594 S=C(Nc1ccccc1C(=O)NCc1ccco1)NC(=O)c1ccc(cc1)OCCc1ccccc1 S=C(Nc1ccccc1C(=O)NCc1ccco1)NC(=O)c1ccc(cc1)OCCc1ccccc1 O=C(NCc1occc1)c2ccccc2NC(=S)NC(=O)c3ccc(OCCc4ccccc4)cc3 InChIKey=VXFNLQQHQHBDDI-UHFFFAOYSA-N InChI=1S/C28H25N3O4S/c32-26(21-12-14-22(15-13-21)35-18-16-20-7-2-1-3-8-20)31-28(36)30-25-11-5-4-10-24(25)27(33)29-19-23-9-6-17-34-23/h1-15,17H,16,18-19H2,(H,29,33)(H2,30,31,32,36) InChI=1/C28H25N3O4S/c32-26(21-12-14-22(15-13-21)35-18-16-20-7-2-1-3-8-20)31-28(36)30-25-11-5-4-10-24(25)27(33)29-19-23-9-6-17-34-23/h1-15,17H,16,18-19H2,(H,29,33)(H2,30,31,32,36)/f/h29-31H 3497.6714007329 -1935.1946878 1-A 33551.1591 131 463 594 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.86965 -20.64351 -20.59956 -20.54839 -20.53878 -15.61350 -15.61128 -15.60475 -11.38067 -11.37433 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 17728.2866 45436.3092 61045.6749 1.00000 0.00031 -0.00060 -0.00031 1.00000 -0.00219 0.00060 0.00219 1.00000 1 0.00489 0.00191 0.00142 0.10180 0.03972 0.02956 8.75 12.45 20.57 28.00 34.70 45.38 50.68 55.75 65.93 77.62 93.62 106.56 112.92 132.46 161.91 184.21 202.72 218.05 228.32 237.53 254.00 308.95 354.98 362.32 402.21 416.35 446.19 462.28 480.76 486.05 537.62 542.48 591.43 617.10 656.39 669.81 684.28 709.59 722.29 746.51 787.14 810.63 816.75 831.48 847.47 878.72 917.60 935.70 947.87 980.43 998.26 1000.87 1017.47 1045.49 1061.04 1093.07 1115.32 1122.32 1124.40 1152.64 1179.40 1214.13 1222.74 1238.04 1239.79 1258.59 1260.23 1281.13 1321.85 1336.27 1344.50 1352.32 1380.13 1385.49 1396.88 1405.83 1441.91 1447.96 1454.23 1480.90 1490.59 1550.58 1560.69 1568.64 1571.18 1583.34 1589.75 1593.72 1607.42 1619.67 1623.46 1623.90 1627.61 1650.73 1667.37 1669.90 1689.89 1703.83 1719.31 1732.83 1741.53 1750.60 1778.60 1782.32 1830.35 1843.97 1868.74 1873.57 1893.87 1898.96 1905.48 1907.13 1915.80 1931.28 1938.95 1958.61 1963.53 1967.20 2014.90 2039.26 2060.06 2076.51 2082.00 2091.93 2100.50 2102.90 2139.14 2199.00 2239.80 2267.52 2275.80 2327.80 2331.30 2365.73 2365.95 2372.04 2404.19 2407.67 2432.70 2445.98 2460.26 2476.53 2524.38 2544.07 2568.34 2595.45 2606.30 2608.99 2616.06 2623.38 2731.75 2898.24 4621.04 4626.53 4648.62 4678.14 4719.05 4784.69 4816.93 4819.72 4839.39 4848.65 4854.93 4855.12 4867.20 4873.93 4882.24 4886.07 4909.36 4911.27 4945.57 4956.15 4963.49 5013.89 5491.61 5543.17 5595.18 0.519674 0.549904 0.550848 0.448434 -1934.675014 -1934.644784 -1934.643840 -1934.746254 3.434982D-04 MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE c1ccc(cc1)CCOc2ccc(cc2)C(=O)NC(=S)Nc3ccccc3C(=O)NCc4ccco4 C14041739 RHF 6-31G(d) (6D,10F) C1 499.156578 |X|Y|Z| 154.337476 94.751863 27.443080 73.761658 33 6 7 8 28 3 2 |36.858105| |13.751972|36.858105| |7.934244|13.750928|36.858105| |6.816835|7.889498|13.701192|36.858105| |7.934161|6.893067|7.974399|13.700463|36.858105| |13.751333|7.958126|6.893172|7.889557|13.751551|36.858105| |4.421859|5.007911|7.542071|12.583799|7.542466|5.008112|36.858105| |3.769401|4.183514|5.697878|7.581509|5.707970|4.187600|12.508298|36.858105| |2.978541|3.260537|4.188637|5.123956|4.192088|3.262216|8.065281|13.535323|73.516695| |2.567013|2.770155|3.378973|3.901348|3.383053|2.772446|5.228249|7.978459|25.248483|36.858105| |2.193799|2.349925|2.797335|3.155749|2.801156|2.352220|4.089601|5.243497|14.601578|13.638190|36.858105| |1.939963|2.059052|2.382790|2.622986|2.386281|2.061331|3.202938|3.981581|9.444422|7.937676|13.882720|36.858105| |1.924975|2.033376|2.318828|2.521544|2.320710|2.034671|2.969990|3.774535|8.201909|6.826369|7.907992|13.630730|36.858105| |2.162665|2.287705|2.620020|2.858683|2.622621|2.289471|3.335573|4.502722|9.264333|7.947530|6.897226|7.968051|13.758846|36.858105| |2.540584|2.716533|3.215292|3.607533|3.219713|2.719247|4.394293|6.697301|14.024147|13.735903|7.914297|6.869260|7.880972|13.722269|36.858105| |1.684828|1.765757|1.971201|2.110142|1.974043|1.767821|2.409292|2.918918|6.026571|4.447760|5.078387|7.695396|12.752090|7.502904|5.000081|36.858105| |1.559671|1.626582|1.807352|1.937658|1.825603|1.639891|2.209536|2.601745|5.390768|3.818993|4.555488|6.754403|8.095824|5.316472|4.012667|16.055941|73.516695| |1.644206|1.723635|1.900257|2.001331|1.878368|1.707235|2.229544|2.688710|5.307150|3.768626|3.965018|5.205308|7.853042|6.593305|4.470347|13.619635|14.849529|53.358707| |1.489867|1.550531|1.684724|1.761486|1.672819|1.541231|1.927291|2.265598|4.373926|2.969306|3.101038|3.855770|5.072394|4.548092|3.420300|7.602383|11.530739|18.772431|36.858105| |1.378506|1.418547|1.530891|1.612356|1.553145|1.436247|1.756123|2.028357|3.907930|2.597073|2.745108|3.358375|4.118622|3.664232|2.899228|5.858219|10.663990|9.662471|11.509558|388.023441| |1.456121|1.522294|1.642243|1.692223|1.601707|1.489789|1.828367|2.131876|4.040206|2.683717|2.740773|3.265404|4.120547|3.928483|3.092327|5.349687|8.232614|11.591524|14.110683|50.532393|53.358707| |1.345555|1.399306|1.491761|1.527354|1.457446|1.370823|1.627230|1.865575|3.480747|2.252110|2.280393|2.632778|3.169377|3.090457|2.554762|3.877117|6.318524|7.188152|7.636077|41.947453|18.368316|36.858105| |1.233265|1.277822|1.358342|1.392860|1.334998|1.258302|1.483547|1.678037|3.144128|2.012515|2.068813|2.383898|2.777107|2.642768|2.227786|3.412002|5.881231|5.833520|6.041133|41.045429|10.621034|13.733851|36.858105| |1.153316|1.191094|1.255977|1.281667|1.234369|1.172589|1.352249|1.513094|2.805995|1.767833|1.802864|2.034482|2.320579|2.245147|1.942126|2.740008|4.754126|4.481583|4.240196|30.129937|7.005509|7.933755|13.779519|36.858105| |1.160107|1.197403|1.254875|1.272910|1.227884|1.173848|1.331030|1.487073|2.724615|1.703391|1.711003|1.901318|2.168666|2.150670|1.884022|2.484875|4.226882|4.064483|3.672799|25.032780|6.179107|6.837310|7.924321|13.758476|36.858105| |1.251567|1.295102|1.357251|1.372522|1.320531|1.263031|1.431267|1.612190|2.933770|1.840654|1.824350|2.019928|2.339828|2.370916|2.068645|2.647572|4.379881|4.448992|3.956785|25.232878|7.026006|7.910758|6.889392|7.982167|13.796261|36.858105| |1.358112|1.411323|1.491694|1.514389|1.448583|1.374587|1.592327|1.819754|3.332361|2.125552|2.103940|2.362997|2.814799|2.862142|2.430623|3.242028|5.215047|5.773381|5.303786|30.693166|10.711354|13.598244|7.902946|6.861256|7.891721|13.683362|36.858105| |1.494877|1.560021|1.648035|1.663459|1.584562|1.505772|1.738859|2.009008|3.627582|2.314669|2.233882|2.469942|2.980587|3.173698|2.711935|3.278834|5.090124|5.855763|4.828187|26.694948|9.086051|7.541262|5.021269|4.453063|5.035299|7.602704|12.685575|36.858105| |1.602896|1.689974|1.802391|1.813958|1.706834|1.610318|1.910740|2.235593|4.052650|2.615628|2.506757|2.776313|3.402208|3.680505|3.109260|3.669081|5.522346|6.688150|5.083267|26.266436|9.519820|6.456970|4.423594|3.783052|4.018933|5.364425|7.993531|15.719038|73.516695| |1.496084|1.550114|1.618012|1.626792|1.564255|1.502575|1.675112|1.920587|3.405944|2.136266|2.032341|2.200080|2.607450|2.832184|2.498065|2.782686|4.378397|4.715633|3.772879|22.518967|6.340598|5.231677|3.982755|3.799482|4.501039|6.620592|7.883435|14.153141|15.169390|53.358707| |1.633581|1.694399|1.756362|1.751168|1.684027|1.629068|1.779747|2.045524|3.553468|2.202975|2.047832|2.168509|2.550090|2.863258|2.602167|2.610883|4.075257|4.285196|3.229364|19.399554|5.119915|3.886731|3.104564|2.951924|3.357416|4.420762|5.034677|7.812048|12.361100|17.849102|36.858105| |1.550566|1.594427|1.628100|1.614775|1.569201|1.538892|1.618599|1.826471|3.144463|1.913166|1.782458|1.864834|2.140952|2.374405|2.212109|2.180946|3.479097|3.461741|2.624242|16.496153|4.043692|3.144549|2.656942|2.625237|3.035995|3.835429|3.962347|5.182913|8.132539|10.722599|12.778409|36.858105| |1.518976|1.564178|1.581249|1.550914|1.506910|1.491990|1.539625|1.714382|2.931918|1.758936|1.638574|1.695483|1.912371|2.107813|2.002448|1.928566|3.105164|2.999622|2.249954|14.276150|3.433117|2.652895|2.302967|2.301839|2.645612|3.220639|3.239142|4.010728|6.602757|7.259042|7.325429|14.223331|36.858105| |1.424400|1.451447|1.456640|1.434274|1.408282|1.403506|1.417164|1.562627|2.671317|1.592262|1.490387|1.539017|1.720536|1.879738|1.794222|1.740736|2.836561|2.671722|2.020340|13.169869|3.029082|2.363022|2.106170|2.140430|2.460368|2.900548|2.828630|3.298715|5.352073|5.784336|5.141751|8.569902|13.212974|36.858105| |1.405934|1.424085|1.435768|1.428762|1.410466|1.399348|1.419039|1.572470|2.700952|1.620740|1.521344|1.581786|1.781020|1.943390|1.835577|1.818409|2.966643|2.805175|2.148298|14.187536|3.202506|2.525576|2.252531|2.297660|2.654297|3.136399|3.038776|3.493019|5.492505|6.311861|5.344438|8.761649|8.597102|14.246695|36.858105| |1.474667|1.499899|1.527165|1.528180|1.501435|1.475465|1.530951|1.719272|2.967417|1.803197|1.689644|1.772448|2.028860|2.230678|2.073183|2.085352|3.363554|3.282193|2.529698|16.443226|3.817999|3.019970|2.613909|2.625358|3.048185|3.754361|3.744833|4.514546|6.858237|8.992113|7.889224|14.111869|8.636826|8.628816|14.134422|73.516695| |17.716275|8.906168|5.642058|4.922696|5.642088|8.906097|3.538646|3.127124|4.546085|2.256587|1.958893|1.758027|1.754814|1.959105|2.255823|1.556076|2.570419|2.081098|1.398270|9.239551|1.868972|1.278727|1.175404|1.105304|1.115832|1.202568|1.296772|1.425252|2.699575|1.954522|1.571147|1.507414|1.487588|1.404165|1.381728|2.556129|0.500000| |8.911882|17.712436|8.924605|5.627931|4.962056|5.651985|4.088468|3.564077|5.136967|2.513600|2.165951|1.922692|1.907017|2.131256|2.484458|1.673831|2.744821|2.241976|1.490620|9.674007|2.008859|1.363859|1.246360|1.166323|1.176731|1.273619|1.382273|1.529900|2.945819|2.074286|1.670956|1.581173|1.565539|1.451171|1.412722|2.631250|0.214602|0.500000| |5.647834|8.931993|17.693447|8.911013|5.657712|4.960643|6.999850|5.574226|7.632933|3.476200|2.899477|2.462422|2.382119|2.673019|3.270440|2.020505|3.286704|2.653241|1.720902|11.022145|2.294823|1.526300|1.387688|1.280544|1.278312|1.383698|1.524234|1.685904|3.304234|2.236886|1.780049|1.640304|1.595890|1.460106|1.432776|2.714678|0.124184|0.215959|0.500000| |5.647830|4.960614|5.657725|8.910651|17.693781|8.932347|7.000364|5.591143|7.644734|3.484145|2.907083|2.469312|2.385770|2.677968|3.278776|2.025981|3.349480|2.596746|1.698484|11.320548|2.191677|1.462640|1.344260|1.240579|1.228778|1.316607|1.445129|1.570404|2.993619|2.105570|1.652208|1.537341|1.466873|1.376501|1.388837|2.634712|0.124186|0.107647|0.124201|0.500000| |8.911665|5.652027|4.962144|5.628009|8.925086|17.712872|4.088682|3.568619|5.140709|2.516672|2.169168|1.926011|1.908937|2.133824|2.488188|1.676979|2.781142|2.207612|1.476005|9.874175|1.938584|1.317872|1.214618|1.135892|1.137752|1.220720|1.322462|1.442021|2.719317|1.968288|1.563860|1.488335|1.443178|1.368998|1.370557|2.558259|0.214601|0.124145|0.107649|0.215973|0.500000| |3.965825|4.205673|5.657669|8.865602|7.107056|4.710441|17.567488|8.937365|13.154703|4.937716|4.060673|3.169685|2.883096|3.157770|4.049474|2.356083|3.898168|2.927877|1.869424|12.293660|2.390927|1.566930|1.439590|1.313104|1.286673|1.374595|1.524037|1.646903|3.189524|2.158767|1.669852|1.524903|1.447299|1.341776|1.350908|2.586656|0.090309|0.096947|0.143674|0.213220|0.111850|0.500000| |3.965917|4.712391|7.113752|8.865938|5.654488|4.204450|17.567179|8.936528|13.155997|4.936337|4.056182|3.166524|2.883420|3.158506|4.049691|2.354554|3.859873|2.963114|1.883002|12.142265|2.445693|1.599015|1.461791|1.332788|1.309980|1.405485|1.561494|1.699620|3.334086|2.215462|1.721832|1.564856|1.495288|1.372680|1.367898|2.618679|0.090311|0.111909|0.213632|0.143549|0.096911|0.303445|0.500000| |3.815124|4.427440|6.048499|6.892255|5.079399|4.001263|8.828721|17.553263|16.507919|7.073305|4.772599|3.805051|3.745914|4.600316|6.775405|2.921859|4.560440|3.760946|2.323668|14.521405|3.025758|1.943393|1.731181|1.561346|1.544308|1.688568|1.913539|2.144400|4.297667|2.791088|2.212187|1.961860|1.846574|1.665179|1.663054|3.240617|0.088488|0.107244|0.174855|0.130063|0.093923|0.174171|0.213111|0.500000| |3.814584|3.995808|5.068902|6.891350|6.064431|4.433496|8.829363|17.555311|16.508659|7.078005|4.780532|3.810846|3.745254|4.597810|6.773786|2.924832|4.624642|3.689010|2.298036|14.784575|2.922943|1.886078|1.694300|1.529662|1.506156|1.635271|1.845192|2.040388|3.998080|2.679125|2.104038|1.884023|1.757552|1.610302|1.632412|3.179759|0.088477|0.093764|0.129669|0.175786|0.107452|0.213178|0.174172|0.300876|0.500000| |2.153472|2.309398|2.759661|3.124632|2.763762|2.311827|4.122923|4.867635|13.511909|8.945144|17.742628|8.912907|5.620161|4.966799|5.653149|4.130101|6.974321|4.510159|2.697496|17.387147|3.286798|2.048772|1.886865|1.661406|1.576482|1.666753|1.896421|1.994887|3.937687|2.488193|1.841066|1.623586|1.506101|1.378476|1.402698|2.744634|0.053390|0.059132|0.079750|0.079979|0.059227|0.117395|0.117167|0.120140|0.120406|0.500000| |1.767201|1.868525|2.139010|2.334677|2.143000|1.871206|2.808839|3.326456|7.619994|5.643204|8.959354|17.750670|8.928769|5.670575|4.952797|7.220353|13.410918|6.560141|3.743565|23.980705|4.287062|2.565448|2.375834|2.026453|1.870945|1.958923|2.270182|2.319068|4.571705|2.803665|2.003991|1.738385|1.586708|1.448690|1.489907|2.952806|0.044806|0.048778|0.061449|0.061668|0.048889|0.078257|0.078125|0.088318|0.088516|0.214045|0.500000| |2.101855|2.206090|2.474458|2.658769|2.479848|2.209945|2.983724|3.915057|7.483618|5.670679|4.965558|5.645529|8.894601|17.720510|8.992904|6.853997|8.659350|9.872721|5.089509|28.190744|6.068130|3.474472|2.882550|2.437127|2.357763|2.648737|3.263980|3.727335|7.746093|4.515425|3.363833|2.715889|2.360628|2.087237|2.176302|4.524874|0.053399|0.057485|0.069650|0.069929|0.057643|0.078159|0.078095|0.113799|0.113989|0.107779|0.124242|0.500000| |2.839033|3.031956|3.578855|4.007583|3.588055|3.037613|4.662585|7.409963|12.493108|8.865418|5.622243|4.954619|5.639382|8.951270|17.771289|4.083520|5.971462|5.295433|3.111456|18.921355|3.936849|2.444849|2.123059|1.874589|1.844178|2.042379|2.383173|2.712537|5.507358|3.479934|2.738617|2.338564|2.122173|1.896442|1.933800|3.879380|0.069578|0.076388|0.099458|0.099917|0.076599|0.115414|0.115333|0.225212|0.225755|0.124048|0.107601|0.218893|0.500000| |1.736526|1.834855|2.027918|2.117314|1.968612|1.790509|2.351042|2.872604|5.596891|3.987085|4.022294|5.041796|7.608570|7.367030|4.928309|9.385111|10.969472|26.024461|9.396208|38.319161|11.108211|5.155276|4.008722|3.158248|2.957071|3.337071|4.407232|4.806980|10.562383|5.173244|3.525198|2.770204|2.392390|2.093895|2.178350|4.564155|0.044769|0.048838|0.058131|0.055024|0.046952|0.062078|0.063894|0.083890|0.079867|0.092458|0.124327|0.240269|0.120749|0.500000| |1.531523|1.613121|1.745243|1.786060|1.676170|1.558016|1.929246|2.265952|4.274364|2.846597|2.862779|3.368013|4.281769|4.220001|3.325769|5.218871|7.697174|11.217374|9.478652|38.098162|25.986783|9.476688|5.934938|4.375386|4.109517|4.885182|7.465419|7.604314|16.971715|6.831386|4.155948|3.173603|2.697061|2.328325|2.425004|5.160228|0.040036|0.043560|0.050072|0.046490|0.041140|0.050981|0.052849|0.066590|0.062934|0.069589|0.088480|0.134505|0.086892|0.267313|0.500000| |1.216168|1.260011|1.344997|1.385815|1.327333|1.245433|1.486627|1.678579|3.179955|2.043546|2.136816|2.496478|2.881662|2.662861|2.234412|3.646160|6.523021|6.052502|6.375576|47.628672|9.740377|8.958661|17.808022|8.925837|5.645856|4.967638|5.640804|4.096711|6.784958|4.539144|2.717664|2.347316|2.060687|1.896543|2.018520|4.111688|0.032127|0.034053|0.038184|0.037265|0.033397|0.040275|0.040765|0.047761|0.046971|0.054323|0.070306|0.079180|0.058403|0.110837|0.149789|0.500000| |1.088467|1.121935|1.181490|1.206799|1.164886|1.107667|1.273224|1.414217|2.628069|1.645825|1.689649|1.900753|2.132965|2.045270|1.786492|2.507564|4.443756|3.968902|3.660800|27.324171|5.682074|5.653936|8.963288|17.724405|8.914444|5.663762|4.946500|3.558955|5.560762|4.275751|2.536747|2.305205|2.056251|1.938626|2.073787|4.130222|0.029018|0.030524|0.033434|0.032579|0.029870|0.034487|0.034912|0.040332|0.039675|0.043606|0.053103|0.060849|0.047800|0.076946|0.100253|0.216033|0.500000| |1.098925|1.131639|1.180130|1.194095|1.155428|1.109769|1.242325|1.377175|2.512214|1.556095|1.560604|1.717221|1.932737|1.922058|1.708041|2.180952|3.738916|3.479426|3.048665|21.218805|4.919856|4.934466|5.637876|8.896808|17.729508|8.930760|5.626901|4.107275|5.996287|5.307987|3.031103|2.853636|2.543323|2.415947|2.601246|5.166379|0.029468|0.030966|0.033350|0.032095|0.029953|0.033406|0.033986|0.039670|0.038747|0.040216|0.047041|0.058069|0.046660|0.070470|0.093044|0.124089|0.214178|0.500000| |1.247097|1.289252|1.342516|1.350065|1.301490|1.252729|1.396150|1.565596|2.820440|1.752649|1.720147|1.878206|2.157498|2.219141|1.969151|2.381778|3.928088|3.923788|3.341037|21.404895|5.695439|5.633611|4.962198|5.671540|8.961207|17.731551|8.915263|7.067827|8.922713|9.946164|4.860883|4.427030|3.722102|3.348060|3.614899|7.682722|0.033417|0.035350|0.037981|0.035913|0.033665|0.037145|0.038062|0.045731|0.044150|0.043801|0.050341|0.068825|0.054640|0.083019|0.114908|0.107804|0.124508|0.216156|0.500000| |1.419124|1.459799|1.517039|1.531155|1.484027|1.430268|1.572699|1.789525|3.175620|1.981655|1.896854|2.053677|2.412068|2.588926|2.293675|2.596717|4.155960|4.328979|3.548163|22.243495|5.794090|5.014794|4.011282|3.987758|4.903932|7.225400|7.470944|9.415137|10.925687|26.071535|9.055594|7.418003|5.078976|4.367304|5.084968|13.244881|0.037971|0.039817|0.042588|0.040944|0.038464|0.041637|0.042353|0.052563|0.051200|0.047674|0.053822|0.083394|0.065041|0.093916|0.120711|0.092520|0.091672|0.119776|0.233812|0.500000| |1.678023|1.760081|1.829035|1.804764|1.716402|1.658864|1.834909|2.108642|3.657799|2.260768|2.095338|2.205587|2.576939|2.897799|2.660906|2.604848|4.048573|4.252787|3.129975|18.423859|5.011743|3.707722|2.967774|2.800010|3.143164|4.068349|4.675455|7.241414|13.347483|12.527466|17.657677|9.022288|6.871643|4.631334|4.445452|10.231590|0.044750|0.048516|0.051969|0.046429|0.043916|0.047445|0.049677|0.064160|0.059515|0.052376|0.056493|0.093292|0.077857|0.099261|0.117142|0.072867|0.067239|0.079020|0.122792|0.181049|0.500000| |1.757608|1.815464|1.887593|1.896885|1.830897|1.764773|1.927354|2.245024|3.871492|2.414206|2.210684|2.333027|2.780542|3.213821|2.916834|2.801855|4.314665|4.586194|3.372098|20.240088|5.145806|3.734771|2.984399|2.777542|3.056218|3.876465|4.546692|6.700807|11.469373|12.382962|17.538367|8.964573|5.855255|4.503679|4.834583|12.369765|0.046755|0.049343|0.052795|0.050027|0.047062|0.050163|0.051298|0.067490|0.064940|0.054714|0.059154|0.107813|0.086666|0.105483|0.115446|0.073897|0.066874|0.076399|0.112920|0.200350|0.302783|0.500000| |1.546530|1.605454|1.620775|1.574481|1.518936|1.506132|1.559451|1.730375|2.951962|1.762140|1.638930|1.686605|1.889971|2.082381|1.995569|1.891220|3.042530|2.925635|2.168815|13.628921|3.317330|2.530944|2.200313|2.186674|2.487250|2.999038|3.046923|3.776012|6.479410|6.405635|6.329797|8.838846|17.797222|8.435025|5.853665|10.456449|0.042095|0.044951|0.045723|0.040816|0.040263|0.040507|0.042305|0.052165|0.048871|0.041951|0.043826|0.064181|0.058801|0.065313|0.073335|0.055042|0.054479|0.066378|0.094987|0.119710|0.190656|0.143069|0.500000| |1.372202|1.395727|1.391687|1.364438|1.342621|1.346162|1.341347|1.465337|2.499835|1.478503|1.386548|1.424339|1.576420|1.713007|1.649416|1.589271|2.606772|2.411796|1.817020|11.937091|2.703490|2.100983|1.900789|1.941086|2.213015|2.548591|2.467744|2.809040|4.632079|4.706846|4.033359|5.842051|8.433034|17.803458|8.837993|10.450225|0.037784|0.038938|0.038730|0.036383|0.036554|0.035317|0.036168|0.043294|0.041841|0.035835|0.037369|0.052255|0.048381|0.052270|0.057558|0.047946|0.049389|0.061048|0.080872|0.098299|0.105254|0.100771|0.192834|0.500000| 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