Version2.0 2020-07-16T22:41:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCn1c(c(nc1SCCNC(=O)C2CCCCC2)c3ccc(cc3)OC)c4ccc(cc4)OC C04157062 RHF 6-31G(d) (6D,7F) CCCn1c(c(nc1SCCNC(=O)C2CCCCC2)c3ccc(cc3)OC)c4ccc(cc4)OC C01[X(C29H37N3O3S1)] 213 C1 618 CCCn1c(SCCNC(=O)C2CCCCC2)nc(c1c1ccc(cc1)OC)c1ccc(cc1)OC CCCn1c(SCCNC(=O)C2CCCCC2)nc(c1c1ccc(cc1)OC)c1ccc(cc1)OC CCCn1c(SCCNC(=O)C2CCCCC2)nc(c3ccc(OC)cc3)c1c4ccc(OC)cc4 InChIKey=LTMCCPRVHLCGNS-UHFFFAOYSA-N InChI=1S/C29H37N3O3S/c1-4-19-32-27(22-12-16-25(35-3)17-13-22)26(21-10-14-24(34-2)15-11-21)31-29(32)36-20-18-30-28(33)23-8-6-5-7-9-23/h10-17,23H,4-9,18-20H2,1-3H3,(H,30,33) InChI=1/C29H37N3O3S/c1-4-19-32-27(22-12-16-25(35-3)17-13-22)26(21-10-14-24(34-2)15-11-21)31-29(32)36-20-18-30-28(33)23-8-6-5-7-9-23/h10-17,23H,4-9,18-20H2,1-3H3,(H,30,33)/f/h30H CCCn1c(c(nc1SCCNC(=O)C2CCCCC2)c3ccc(cc3)OC)c4ccc(cc4)OC C01[X(C29H37N3O3S1)] 213 C01 618 CCCn1c(SCCNC(=O)C2CCCCC2)nc(c1c1ccc(cc1)OC)c1ccc(cc1)OC CCC[N]1[C]([N][C](=C1[C]1[CH][CH][C]([CH][CH]1)OC)[C]1[CH][CH][C]([CH][CH]1)OC)SCCNC(=O)C1CCCCC1 CCCN1[C]([N]C(=C1[C]2[CH][CH][C]([CH][CH]2)OC)[C]3[CH][CH][C]([CH][CH]3)OC)SCCNC(=O)C4CCCCC4 InChIKey=LTMCCPRVHLCGNS-UHFFFAOYSA-N InChI=1S/C29H37N3O3S/c1-4-19-32-27(22-12-16-25(35-3)17-13-22)26(21-10-14-24(34-2)15-11-21)31-29(32)36-20-18-30-28(33)23-8-6-5-7-9-23/h10-17,23H,4-9,18-20H2,1-3H3,(H,30,33) InChI=1/C29H37N3O3S/c1-4-19-32-27(22-12-16-25(35-3)17-13-22)26(21-10-14-24(34-2)15-11-21)31-29(32)36-20-18-30-28(33)23-8-6-5-7-9-23/h10-17,23H,4-9,18-20H2,1-3H3,(H,30,33)/f/h30H 3839.5686395314 -1905.1936589 1-A 31733.8898 136 482 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.94756 -20.59471 -20.57891 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12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 31.97207 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 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 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14072.9785 43848.9064 54990.2364 0.99996 -0.00827 0.00145 0.00826 0.99994 0.00738 -0.00151 -0.00736 0.99997 1 0.00615 0.00198 0.00158 0.12824 0.04116 0.03282 9.76 10.99 26.31 30.28 39.40 41.39 45.02 55.51 63.21 71.23 74.21 99.34 114.37 121.59 136.16 137.92 159.37 168.03 177.00 239.39 265.32 273.83 282.70 304.42 318.02 351.20 357.44 369.76 380.94 387.25 392.37 400.41 422.95 436.43 465.80 476.86 498.39 535.90 556.14 578.13 607.89 634.01 664.04 669.61 672.58 675.44 687.62 709.36 751.97 771.57 782.03 808.95 836.27 844.96 868.55 935.69 978.22 995.55 1000.69 1031.84 1118.99 1131.88 1140.71 1158.34 1167.01 1186.87 1204.05 1213.96 1217.45 1224.29 1248.54 1252.55 1262.93 1275.04 1317.67 1331.71 1339.23 1367.41 1371.10 1388.19 1395.74 1400.42 1405.18 1440.67 1458.09 1519.97 1548.00 1555.08 1585.39 1586.10 1589.29 1593.42 1600.00 1602.22 1606.94 1618.04 1639.93 1655.07 1673.35 1685.96 1691.22 1705.65 1709.66 1718.72 1731.87 1736.18 1760.65 1792.32 1819.30 1828.38 1829.04 1835.44 1861.88 1862.62 1871.26 1877.01 1890.07 1895.09 1915.06 1917.61 1933.86 1941.60 1986.59 2003.29 2017.29 2022.97 2039.64 2057.64 2062.62 2069.87 2090.69 2095.86 2099.48 2101.36 2105.65 2124.05 2149.08 2156.36 2180.34 2193.97 2199.93 2200.21 2233.96 2242.76 2253.38 2258.62 2261.29 2261.64 2273.62 2340.92 2345.99 2347.30 2348.40 2352.61 2356.29 2359.14 2362.42 2365.21 2365.62 2368.39 2375.11 2375.71 2378.79 2388.45 2388.59 2390.03 2391.22 2423.90 2449.89 2456.90 2532.89 2545.69 2568.76 2623.61 2630.19 2796.41 4571.10 4575.97 4581.43 4589.78 4604.08 4611.65 4612.90 4616.90 4617.08 4632.80 4648.22 4652.09 4655.99 4667.98 4668.53 4684.72 4689.42 4696.10 4699.41 4702.42 4707.52 4708.32 4724.76 4769.94 4773.38 4780.39 4790.90 4817.09 4840.47 4859.85 4866.20 4876.02 4888.82 4898.05 4899.57 4902.28 5606.79 0.666396 0.700682 0.701626 0.591584 -1904.527263 -1904.492977 -1904.492033 -1904.602074 3.690793D-04 MUNgauss RevisionA2.0 retrievium 16-Jul-2020 DUDE CCCn1c(c(nc1SCCNC(=O)C2CCCCC2)c3ccc(cc3)OC)c4ccc(cc4)OC C04157062 RHF 6-31G(d) (6D,10F) C1 507.255564 |X|Y|Z| 153.440637 84.576085 32.198457 74.760870 28 6 7 16 24 3 1 |36.858105| |12.467193|36.858105| |7.530697|12.462445|36.858105| |4.966044|7.646044|13.091321|53.358707| |4.014760|5.641662|7.470090|18.618368|36.858105| |3.259490|4.346743|5.278478|11.838054|14.026792|36.858105| |3.276091|4.365275|5.299593|11.797518|8.515898|13.842561|53.358707| |4.051783|5.702127|7.599788|19.217803|8.704844|8.959524|20.136139|36.858105| |3.951049|5.037479|6.004107|9.493761|4.893735|4.944885|9.536958|10.790322|388.023441| |2.876977|3.465963|3.933431|6.414949|3.928593|4.440324|8.865797|6.944154|74.409575|36.858105| |2.598646|2.973114|3.228482|4.851162|3.028855|3.282244|5.844260|4.621093|49.544990|12.462436|36.858105| |2.178656|2.456597|2.642218|3.989863|2.617452|2.894785|4.966822|3.663252|33.397589|7.744378|13.168964|53.358707| |1.980704|2.201935|2.405743|3.610211|2.409664|2.654788|4.414642|3.219247|27.803231|5.838385|7.757337|19.135206|36.858105| |2.023167|2.231850|2.489536|3.699449|2.447944|2.655629|4.372594|3.256610|28.240852|5.556934|6.855677|11.575561|15.838918|73.516695| |1.724041|1.900514|2.045583|3.059918|2.100509|2.324346|3.736302|2.655746|21.614643|4.187991|4.998479|10.620129|12.528090|14.205970|36.858105| |1.585681|1.714597|1.832193|2.677307|1.835347|1.987062|3.119209|2.262420|18.455689|3.311751|3.993695|7.389067|7.603538|11.403792|12.391977|36.858105| |1.416237|1.524914|1.616489|2.359650|1.644301|1.781674|2.740964|1.964220|15.525311|2.699898|3.094202|5.401090|4.921105|7.710472|7.516875|12.443753|36.858105| |1.369402|1.481285|1.582856|2.332518|1.648323|1.801023|2.743105|1.934514|14.870303|2.581936|2.818565|4.794704|4.376176|7.127237|6.421795|7.525503|12.444149|36.858105| |1.455257|1.595840|1.714103|2.572027|1.831912|2.040093|3.133849|2.162943|16.376032|2.937029|3.111752|5.416990|4.922676|7.686816|7.515264|6.443770|7.537743|12.444400|36.858105| |1.641091|1.817465|1.978368|3.000947|2.108631|2.367417|3.740803|2.583059|19.937974|3.782486|4.031616|7.429823|7.609579|11.328224|12.386321|7.528274|6.444728|7.526728|12.444476|36.858105| |2.646791|3.324340|3.783474|7.102738|7.393436|12.882131|10.499419|5.404751|26.224168|3.630970|2.819835|3.553633|2.440703|4.293409|2.210545|1.890194|1.727180|1.773111|2.028634|2.309067|36.858105| |2.354878|2.898141|3.160891|5.629397|5.085851|7.666121|8.908121|4.596941|24.411710|3.632038|2.861636|3.718968|2.534919|4.346617|2.343136|1.975210|1.820775|1.877613|2.183848|2.467488|13.622804|36.858105| |2.032378|2.422482|2.597419|4.376283|3.849115|5.067259|6.076131|3.456619|19.642385|2.952106|2.439446|3.258758|2.265213|3.877516|2.155898|1.838842|1.728189|1.803878|2.099145|2.308000|7.877189|13.851666|36.858105| |1.929536|2.264076|2.440855|4.020618|3.606033|4.446640|5.093919|3.038997|17.365816|2.538379|2.134903|2.842383|2.008443|3.493926|1.917574|1.665990|1.575407|1.652268|1.896072|2.061173|6.789527|7.934201|13.675877|36.858105| |2.075887|2.444666|2.689131|4.455820|4.195356|5.019293|5.337874|3.235066|17.954118|2.535552|2.115469|2.765119|1.960099|3.464975|1.842964|1.613990|1.513881|1.580470|1.793073|1.967116|7.858641|6.892899|7.950703|13.766171|36.858105| |2.427858|2.943640|3.340070|5.825840|6.010487|7.568348|7.007547|4.129678|21.449117|2.938344|2.379827|3.037435|2.131838|3.795694|1.959681|1.706729|1.577286|1.631606|1.847821|2.066888|13.754457|8.002932|6.913300|7.938157|13.701146|36.858105| |1.702935|1.958085|2.081763|3.325002|2.875578|3.383267|4.059950|2.509890|14.919090|2.198138|1.898687|2.565543|1.828898|3.172189|1.778047|1.560662|1.496515|1.579273|1.805096|1.921733|4.586414|5.295629|8.188829|14.104747|7.862771|5.193290|73.516695| |1.598184|1.810831|1.925431|3.012628|2.593854|2.927635|3.499303|2.227159|13.382225|1.941600|1.698290|2.288529|1.645490|2.881950|1.601625|1.425659|1.372468|1.449731|1.635568|1.728378|3.774877|3.990542|5.260428|8.020426|6.729439|4.514649|24.235572|36.858105| |3.948153|5.147437|6.204160|10.282725|12.846644|7.340496|7.012190|5.275278|25.912991|3.017317|2.464144|2.962515|2.035069|3.687760|1.809094|1.610138|1.461109|1.468761|1.614720|1.823505|5.756569|4.141616|3.410528|3.402607|4.132384|5.705420|4.931220|2.591322|36.858105| |3.688512|4.650544|4.809953|7.354216|7.609986|5.683294|5.751509|4.202775|22.096128|2.644193|2.213656|2.698105|1.844254|3.298639|1.664254|1.488414|1.363889|1.368996|1.501649|1.673256|5.093371|3.930996|3.358954|3.388084|4.040111|5.182059|4.988178|2.636340|13.634379|36.858105| |3.294748|3.816843|3.855640|5.466095|5.048306|4.091847|4.428200|3.259344|18.286062|2.229008|1.916520|2.364481|1.633551|2.931226|1.489604|1.347974|1.244695|1.251418|1.361931|1.500954|3.901210|3.178706|2.866654|2.990906|3.560845|4.219607|4.572424|2.500953|7.880810|13.838872|36.858105| |3.134741|3.468495|3.659757|5.010114|4.444675|3.603738|3.998617|2.986397|17.141482|2.093239|1.815817|2.245465|1.570172|2.848016|1.431738|1.305258|1.205712|1.215275|1.315154|1.447749|3.421796|2.794640|2.553802|2.705083|3.254945|3.801864|4.199024|2.346562|6.795817|7.932134|13.672443|36.858105| |3.287120|3.655832|4.166005|5.684422|5.027937|3.926346|4.348009|3.298901|18.708536|2.259534|1.942826|2.386785|1.680050|3.081962|1.518419|1.382967|1.269550|1.281717|1.387151|1.539400|3.597559|2.863070|2.573373|2.710800|3.302118|3.992776|4.163168|2.314752|7.854962|6.881245|7.935879|13.744828|36.858105| |3.679940|4.376973|5.469707|7.950460|7.605983|5.295365|5.602526|4.304431|22.903049|2.701208|2.258043|2.735504|1.914414|3.521832|1.706832|1.537447|1.398121|1.410305|1.537432|1.729184|4.491051|3.389672|2.921551|3.005473|3.686533|4.802344|4.480981|2.425973|13.744533|7.997285|6.910975|7.943628|13.707833|36.858105| |2.720822|2.887703|2.964955|3.990638|3.384100|2.884993|3.315415|2.468686|14.696795|1.824108|1.610889|2.011313|1.413479|2.560935|1.300468|1.195267|1.111449|1.120756|1.205907|1.315381|2.808909|2.384833|2.237709|2.389847|2.812795|3.120148|3.817188|2.174327|4.593708|5.300573|8.202948|14.146362|7.872054|5.201274|73.516695| |2.479880|2.561976|2.677692|3.555627|2.928357|2.534899|2.978812|2.230351|13.568075|1.695698|1.512098|1.895807|1.344351|2.451875|1.239550|1.147273|1.068700|1.079478|1.155161|1.256470|2.466513|2.117506|2.003086|2.144745|2.506653|2.739693|3.471800|1.999904|3.775231|3.989016|5.259690|8.015997|6.726992|4.514511|24.199363|36.858105| |17.563246|8.795379|5.483051|5.580606|3.482185|2.923957|3.997636|3.506242|24.636934|2.627098|2.416847|2.793179|1.858588|3.340660|1.635022|1.510099|1.357195|1.308468|1.386880|1.551350|2.439647|2.212295|1.930755|1.830894|1.949369|2.244248|2.897516|1.530767|3.463404|3.401072|3.102046|2.902898|2.939718|3.192629|4.584569|2.339342|0.500000| |17.536479|8.767492|6.822954|6.243951|3.901255|3.113768|4.128495|3.651871|24.457716|2.595832|2.341585|2.717542|1.843268|3.370140|1.617164|1.494175|1.342217|1.306173|1.385711|1.554958|2.568960|2.257146|1.968334|1.898528|2.068412|2.415660|2.986533|1.592884|4.080912|3.804257|3.523704|3.470707|3.677163|3.998434|5.369188|2.776922|0.301937|0.500000| |17.537249|8.766704|6.816613|6.249651|3.621163|3.032885|4.283635|3.941442|29.513040|2.976961|2.748871|3.097351|2.071064|3.791596|1.785857|1.653278|1.465916|1.408443|1.487462|1.684397|2.471969|2.223618|1.925165|1.821727|1.946830|2.261435|2.872345|1.516189|3.448081|3.152323|2.832292|2.745271|2.931102|3.291199|4.291105|2.246956|0.301909|0.301356|0.500000| |8.839940|17.552508|8.890383|9.500207|6.014382|4.520670|5.791397|5.152023|30.143448|3.135919|2.679864|3.091752|2.046508|3.659114|1.794120|1.615949|1.451908|1.419489|1.535262|1.733474|3.527379|3.043386|2.550824|2.400792|2.611301|3.155134|3.676004|1.914123|5.954906|5.832551|4.644128|3.998102|4.033681|4.754522|5.808151|2.802661|0.212285|0.210449|0.172709|0.500000| |8.839295|17.548502|8.873408|9.518748|5.120666|4.284654|6.241430|6.070631|41.506209|3.881920|3.341953|3.684828|2.370246|4.213360|2.031512|1.821358|1.611116|1.552643|1.676202|1.917131|3.289532|2.963286|2.459564|2.251789|2.379885|2.834475|3.470409|1.785885|4.380658|4.058217|3.329771|2.989273|3.106300|3.680404|4.511305|2.263038|0.212304|0.172705|0.210375|0.303350|0.500000| |6.887797|8.817435|17.596742|12.572843|5.691865|4.518512|6.639558|7.125316|49.136994|4.244025|3.551589|3.857588|2.586665|4.835575|2.160244|1.945414|1.696609|1.649806|1.774604|2.065808|3.353528|2.885046|2.398944|2.246777|2.442646|2.969932|3.445548|1.795654|4.731826|3.798805|3.182296|3.096330|3.536198|4.454046|4.604829|2.401075|0.140594|0.169680|0.204242|0.173786|0.211107|0.500000| |6.880461|8.845817|17.635406|12.574684|7.028153|4.812097|6.122995|5.768657|32.776316|3.323175|2.787840|3.195370|2.182681|4.046364|1.882439|1.701675|1.514425|1.493402|1.610931|1.842386|3.614939|2.965741|2.488224|2.398492|2.698504|3.350399|3.651518|1.928248|6.950253|5.143351|4.271050|4.262114|5.129274|6.907382|6.006779|3.073714|0.140655|0.204143|0.168915|0.212946|0.173946|0.304223|0.500000| |2.677012|3.185294|3.749474|6.206810|3.932692|4.527449|8.832449|6.479296|56.442854|17.646488|8.831878|9.508201|6.184322|11.286663|4.392605|3.429586|2.788813|2.733561|3.151888|4.186023|3.770356|3.720838|3.043047|2.642962|2.658748|3.086153|4.055844|2.019985|3.030076|2.608961|2.211673|2.104400|2.302600|2.767404|3.257299|1.715827|0.067397|0.068583|0.076732|0.080963|0.095307|0.112343|0.090750|0.500000| |2.756075|3.369622|3.696192|6.209479|3.998424|4.760146|9.785779|6.720554|56.628560|17.645369|8.793697|9.493267|5.182920|8.252131|4.041782|3.143798|2.636767|2.544690|2.953979|3.729003|3.990615|4.194193|3.339606|2.776909|2.713174|3.126711|4.247147|2.073209|3.052558|2.731223|2.282555|2.108060|2.241016|2.667364|3.265071|1.691384|0.071018|0.069109|0.077437|0.087186|0.105871|0.105669|0.087260|0.301680|0.500000| |2.688270|3.057152|3.183612|4.667682|2.903801|3.095509|5.393599|4.334162|46.581498|8.820802|17.577431|12.579599|5.812186|9.053733|4.257749|3.562534|2.849611|2.562936|2.787088|3.442338|2.663076|2.715959|2.326205|2.035151|2.010509|2.252300|3.233122|1.628582|2.390526|2.184394|1.895220|1.781933|1.885113|2.172424|2.820859|1.483243|0.070507|0.066272|0.079170|0.076330|0.098089|0.096506|0.075690|0.173338|0.210727|0.500000| |2.611130|2.914552|3.214716|4.666373|2.879955|3.032209|5.223324|4.268600|46.365530|8.825827|17.642456|12.618889|7.357468|13.654003|4.681985|3.998108|3.046973|2.759775|2.956907|3.800601|2.598227|2.578192|2.222453|1.983559|1.990714|2.239861|3.150803|1.604475|2.380655|2.121182|1.854664|1.780178|1.921772|2.226100|2.816455|1.499892|0.066872|0.065733|0.078266|0.072010|0.089399|0.101348|0.077885|0.212267|0.173088|0.302046|0.500000| |2.080423|2.348972|2.475816|3.748746|2.502593|2.791762|4.730585|3.407942|29.690689|6.450873|9.037896|26.103922|9.384292|10.884395|7.460926|5.157351|3.991718|3.522006|4.045978|5.275950|2.565161|2.748412|2.430686|2.097897|2.012129|2.186811|3.387716|1.689388|2.095258|1.936442|1.699420|1.601972|1.685486|1.918976|2.559819|1.351965|0.055045|0.052911|0.059775|0.061078|0.072313|0.072459|0.061250|0.157665|0.184529|0.226264|0.181609|0.500000| |1.704699|1.884774|1.998226|2.994241|2.065390|2.296324|3.688876|2.601421|21.040875|4.060729|4.845392|10.430558|8.883034|10.437149|17.491013|8.878796|6.852857|5.707897|6.850359|8.873288|2.198788|2.369782|2.188991|1.926859|1.831655|1.937488|3.188238|1.605421|1.780468|1.655269|1.480059|1.411866|1.484818|1.664165|2.283000|1.218272|0.045249|0.044228|0.048799|0.049696|0.056414|0.058080|0.050875|0.113128|0.113949|0.120709|0.119937|0.245035|0.500000| |1.611799|1.731693|1.831836|2.646738|1.797413|1.927414|3.029807|2.230293|18.577839|3.273656|4.125940|7.505907|6.931678|10.353749|8.805161|17.524808|8.816793|5.486243|4.833214|5.485248|1.816805|1.891049|1.752522|1.587675|1.542658|1.637400|2.641077|1.359102|1.579825|1.465757|1.328533|1.284275|1.356910|1.505578|2.093379|1.129242|0.042813|0.041977|0.046929|0.045134|0.051421|0.054269|0.047051|0.091245|0.085889|0.105555|0.115973|0.146987|0.214612|0.500000| |1.589772|1.710478|1.846711|2.684341|1.835270|1.972445|3.080430|2.252369|18.366756|3.233248|3.833008|6.657931|7.093607|12.644245|8.885435|17.556796|8.824305|6.771516|5.672019|6.819448|1.868037|1.925996|1.790534|1.637696|1.601545|1.699055|2.722474|1.407807|1.614947|1.482648|1.346206|1.312621|1.399705|1.556380|2.137164|1.159447|0.041828|0.041809|0.046237|0.044620|0.050083|0.054846|0.047907|0.095261|0.083284|0.093340|0.111279|0.122685|0.174527|0.303312|0.500000| |1.398309|1.507982|1.583110|2.313205|1.616261|1.755719|2.699482|1.926893|15.187942|2.638338|3.026133|5.306071|4.520677|6.822214|6.768518|8.841559|17.490687|8.850865|6.778355|5.651516|1.708797|1.818716|1.732103|1.569907|1.497850|1.555109|2.659854|1.367013|1.437123|1.351020|1.232500|1.187715|1.243236|1.366604|1.948536|1.050289|0.037421|0.036705|0.040070|0.040025|0.044475|0.045899|0.041084|0.074277|0.072933|0.079153|0.080949|0.114070|0.202011|0.214652|0.173420|0.500000| |1.346659|1.436610|1.518181|2.192821|1.526408|1.636999|2.495389|1.804641|14.269640|2.413123|2.762438|4.623093|4.094047|6.739599|5.486191|8.841833|17.535781|8.813307|5.490799|4.837041|1.584182|1.656344|1.576553|1.449978|1.400994|1.458086|2.456949|1.276951|1.367760|1.279274|1.174200|1.141892|1.201900|1.316431|1.879077|1.020135|0.035916|0.035546|0.038827|0.037968|0.042016|0.044356|0.039687|0.068961|0.064987|0.071579|0.077033|0.093794|0.140368|0.212517|0.214134|0.303520|0.500000| |1.275288|1.374203|1.459067|2.142427|1.524581|1.661027|2.500072|1.759887|13.376957|2.275742|2.455000|4.066691|3.534450|5.804326|4.823797|5.486312|8.815676|17.532605|8.815714|5.486809|1.649290|1.751708|1.702309|1.567968|1.494082|1.529040|2.690532|1.395250|1.370225|1.285886|1.181720|1.147751|1.204984|1.317250|1.890577|1.025402|0.033989|0.033876|0.036321|0.036760|0.039922|0.042020|0.038399|0.066317|0.062922|0.063090|0.066593|0.084262|0.127746|0.123166|0.139058|0.214973|0.211519|0.500000| |1.362322|1.468008|1.580423|2.320232|1.638133|1.779499|2.697234|1.912781|14.678287|2.516372|2.724401|4.510990|4.198291|7.272163|5.640693|6.780778|8.857182|17.502793|8.857389|6.782023|1.746730|1.827712|1.753488|1.621253|1.564663|1.618850|2.750745|1.429947|1.464426|1.357720|1.244362|1.215849|1.288974|1.417479|1.994506|1.085419|0.036020|0.036242|0.039019|0.038991|0.042487|0.045944|0.041627|0.075107|0.067827|0.068178|0.075674|0.089322|0.131826|0.139316|0.199250|0.173800|0.214970|0.303260|0.500000| |1.437850|1.580244|1.679583|2.523836|1.804070|2.016880|3.095739|2.124474|16.025907|2.871119|3.043520|5.322206|4.522217|6.805286|6.767774|5.651138|6.778175|8.850387|17.491144|8.842066|2.018104|2.205038|2.132361|1.908238|1.784496|1.829245|3.245820|1.643862|1.591191|1.492457|1.352679|1.297986|1.359454|1.503447|2.118304|1.136716|0.038270|0.037918|0.040671|0.042412|0.046345|0.048003|0.043710|0.083560|0.082152|0.077334|0.078648|0.115805|0.201940|0.126507|0.131202|0.199235|0.139207|0.214952|0.173797|0.500000| |1.405031|1.541247|1.662377|2.502968|1.804810|2.015863|3.051268|2.086053|15.435803|2.715830|2.783865|4.640323|4.095841|6.713152|5.485503|4.836573|5.490741|8.812898|17.537516|8.842972|2.034121|2.191748|2.137187|1.947887|1.836562|1.873421|3.322978|1.699354|1.600810|1.488976|1.355184|1.312630|1.385442|1.531119|2.143403|1.157460|0.037151|0.037376|0.039721|0.041406|0.044641|0.047541|0.043717|0.081989|0.076169|0.069426|0.073886|0.095357|0.140329|0.106538|0.127011|0.139210|0.123178|0.211497|0.214963|0.303532|0.500000| |1.647553|1.816289|2.002385|3.024130|2.120112|2.359436|3.701249|2.581299|19.880655|3.684526|3.867135|6.687736|7.097503|12.536037|8.883059|6.820690|5.674129|6.774561|8.825806|17.554100|2.287738|2.394901|2.235019|2.025932|1.960768|2.069724|3.348880|1.710237|1.839457|1.672545|1.504664|1.463661|1.569199|1.764507|2.363459|1.276982|0.043002|0.043598|0.047147|0.047943|0.052751|0.058481|0.052147|0.117248|0.097609|0.090420|0.105572|0.124793|0.174463|0.139937|0.202131|0.131230|0.127053|0.139100|0.199372|0.173432|0.214168|0.500000| |1.714819|1.924857|2.103673|3.255151|2.310971|2.653647|4.236431|2.842822|21.401409|4.182837|4.197419|7.577435|6.938528|10.258516|8.798771|5.484477|4.833042|5.486766|8.817486|17.524370|2.616589|2.849068|2.653162|2.328347|2.197815|2.310061|3.828972|1.909847|1.975462|1.809675|1.610277|1.543744|1.640203|1.855173|2.479950|1.325079|0.044951|0.045087|0.048532|0.051269|0.056474|0.060446|0.054235|0.130680|0.118572|0.098964|0.105971|0.153159|0.214334|0.123057|0.139920|0.126487|0.106536|0.123172|0.139348|0.214621|0.212604|0.303329|0.500000| |2.412014|2.989326|3.214531|5.731598|4.818254|7.139634|9.995718|4.999460|27.212022|4.219938|3.260645|4.239017|2.815620|4.731534|2.585159|2.142625|1.959980|2.002912|2.348566|2.684949|8.918650|17.746793|8.975542|5.649964|4.964669|5.680816|7.613943|3.335210|3.787468|3.589321|2.906318|2.558912|2.623343|3.104377|3.910473|1.963123|0.063202|0.063164|0.063735|0.085905|0.087354|0.082558|0.081541|0.116741|0.143461|0.086352|0.079475|0.088236|0.073564|0.057164|0.057435|0.054727|0.049170|0.051638|0.053668|0.066481|0.064613|0.071229|0.087095|0.500000| |1.882001|2.215434|2.338405|3.851471|3.250819|4.120809|5.270585|3.082966|18.287897|2.815277|2.379085|3.243388|2.253229|3.803202|2.185482|1.859747|1.766254|1.849202|2.167179|2.348114|5.608913|8.907730|17.731580|8.954632|5.667158|4.974129|13.478550|4.873203|2.898067|2.884263|2.510064|2.249726|2.253716|2.520249|3.563312|1.808330|0.050095|0.050391|0.049824|0.064360|0.063201|0.060735|0.061879|0.079879|0.089396|0.063389|0.059814|0.068249|0.062414|0.049170|0.049860|0.049574|0.044609|0.048756|0.049493|0.061981|0.061383|0.062283|0.075310|0.214933|0.500000| |1.952342|2.255889|2.473121|3.971962|3.661100|4.102525|4.485593|2.828916|16.087947|2.251770|1.912360|2.505384|1.791357|3.187686|1.693001|1.500488|1.414882|1.479827|1.663174|1.807841|5.632840|4.965936|5.636947|8.873941|17.757887|8.953831|12.460006|7.444623|3.796838|3.758813|3.494650|3.297570|3.325070|3.560361|5.179138|2.627899|0.051035|0.054644|0.050898|0.066933|0.060413|0.062698|0.070149|0.065649|0.065948|0.050591|0.050517|0.050511|0.046577|0.039868|0.041540|0.038804|0.036582|0.039031|0.040881|0.045828|0.047502|0.050361|0.055484|0.107784|0.124201|0.500000| |2.548789|3.066931|3.559883|6.081574|6.462239|6.941418|6.443355|4.056425|21.085986|2.793525|2.282703|2.882466|2.034647|3.670447|1.858129|1.636353|1.508200|1.555090|1.741319|1.948109|8.924651|5.666434|4.975797|5.668332|8.980415|17.748763|7.464983|3.924366|6.907910|5.865603|4.852444|4.558082|5.001557|6.170148|6.420968|3.167711|0.064746|0.071717|0.065630|0.091569|0.079868|0.086992|0.102888|0.081717|0.080489|0.060028|0.060598|0.057109|0.050666|0.043742|0.045580|0.041120|0.038958|0.040471|0.043135|0.047575|0.048976|0.054723|0.059713|0.124445|0.107935|0.218853|0.500000| |1.473925|1.655185|1.745119|2.698135|2.276792|2.546310|3.117548|2.006153|12.291505|1.795648|1.591440|2.162630|1.559551|2.721256|1.533749|1.372455|1.332402|1.411035|1.587748|1.657318|3.171091|3.414278|4.414083|5.880784|4.904147|3.617477|17.006108|17.639565|2.266899|2.314315|2.214584|2.086188|2.051246|2.133720|3.482690|1.816323|0.039423|0.040739|0.038988|0.048406|0.045562|0.045521|0.048407|0.051708|0.053242|0.042528|0.041787|0.044555|0.042858|0.036341|0.037557|0.036975|0.034497|0.037961|0.038576|0.044521|0.045967|0.045393|0.050649|0.082193|0.121249|0.145671|0.089223|0.500000| |1.588913|1.794142|1.933749|3.023593|2.599178|2.919740|3.491592|2.230369|13.409315|1.947444|1.701648|2.293812|1.664979|2.940469|1.618033|1.443126|1.387715|1.473757|1.661285|1.759459|3.724224|3.797786|4.765805|7.039354|6.730294|4.577360|16.443667|17.554808|2.599531|2.583441|2.457445|2.356184|2.368618|2.485552|3.875665|2.032915|0.042017|0.044178|0.042050|0.052311|0.048896|0.050350|0.054149|0.056935|0.057169|0.044997|0.044941|0.046696|0.044685|0.038066|0.039822|0.038166|0.035903|0.039331|0.040634|0.045993|0.048222|0.048799|0.053913|0.088309|0.120021|0.224023|0.113510|0.299995|0.500000| |1.639365|1.854827|1.958073|3.041720|2.646837|2.922368|3.430365|2.208771|13.189502|1.878296|1.643663|2.193412|1.568077|2.752709|1.516076|1.355900|1.300887|1.363532|1.526370|1.617867|3.728392|3.798210|4.764212|7.044189|6.739719|4.581300|16.443497|17.554338|2.718714|2.835039|2.739592|2.553501|2.468594|2.543219|4.236535|2.169379|0.043727|0.045614|0.042900|0.055026|0.050469|0.050290|0.054854|0.053874|0.055537|0.044042|0.043249|0.044910|0.042230|0.036106|0.037228|0.036010|0.033737|0.036431|0.037389|0.042603|0.043753|0.044522|0.049353|0.088269|0.119901|0.223901|0.113441|0.299973|0.299057|0.500000| |3.586869|4.626401|4.507718|7.091667|7.055366|5.845910|6.013667|4.283915|22.560873|2.730040|2.281136|2.785485|1.881912|3.325354|1.703543|1.515370|1.390450|1.391876|1.532888|1.705707|5.351476|4.308345|3.633166|3.549082|4.057664|5.083796|5.202460|2.687470|8.907710|17.725052|8.972612|5.648262|4.956915|5.673650|7.619635|3.334260|0.094333|0.098950|0.085245|0.164607|0.117737|0.100247|0.125137|0.073617|0.080047|0.063158|0.059881|0.056087|0.047477|0.041540|0.041631|0.038476|0.036121|0.036350|0.038113|0.042616|0.042089|0.046933|0.051472|0.110861|0.087070|0.101844|0.146036|0.065828|0.071724|0.080132|0.500000| |3.002756|3.395261|3.295378|4.630445|4.103831|3.518856|3.928068|2.868258|16.555890|2.048573|1.784476|2.219070|1.531017|2.730330|1.407490|1.277975|1.186726|1.192001|1.294655|1.416057|3.458174|2.944211|2.719897|2.842151|3.289736|3.710068|4.440051|2.444021|5.610450|8.901803|17.737596|8.954182|5.661041|4.973428|13.496043|4.874373|0.080899|0.088238|0.071970|0.114502|0.084377|0.077265|0.098498|0.056103|0.058693|0.049375|0.047818|0.044615|0.039049|0.035057|0.035329|0.032766|0.031143|0.031393|0.032833|0.035878|0.035782|0.039255|0.042125|0.075341|0.067169|0.090400|0.113221|0.060728|0.065762|0.075240|0.214909|0.500000| |3.000274|3.211079|3.672677|4.900623|4.111570|3.354953|3.850750|2.932945|17.204185|2.100501|1.829846|2.260438|1.606550|2.967490|1.456288|1.336350|1.229239|1.243155|1.337882|1.479711|3.113929|2.540242|2.318848|2.454728|2.955498|3.459426|3.836741|2.160656|5.628806|4.960077|5.631002|8.866215|17.761553|8.946828|12.470853|7.442569|0.074689|0.094128|0.076015|0.095219|0.076668|0.090164|0.125345|0.059906|0.057338|0.049147|0.050745|0.044195|0.039379|0.036391|0.037755|0.033328|0.032449|0.032504|0.034884|0.036278|0.037202|0.042139|0.043531|0.065069|0.057019|0.084090|0.118211|0.053617|0.062086|0.063620|0.107655|0.124130|0.500000| |3.564490|4.163841|5.590825|8.100717|7.026399|5.144970|5.710251|4.470772|24.119939|2.841247|2.367198|2.857436|2.020143|3.768012|1.786645|1.610781|1.456581|1.471836|1.602296|1.815238|4.277437|3.265594|2.809793|2.870065|3.479428|4.491322|4.301198|2.327039|8.936479|5.666562|4.971067|5.659692|8.952435|17.706762|7.460340|3.915883|0.084557|0.106966|0.091699|0.118190|0.098565|0.133366|0.199274|0.082443|0.076352|0.062413|0.065628|0.055067|0.047933|0.043682|0.045631|0.039301|0.038111|0.038027|0.041332|0.043195|0.044359|0.051955|0.053947|0.083915|0.067723|0.093278|0.157449|0.057111|0.067136|0.066634|0.124414|0.107862|0.217766|0.500000| |2.250042|2.298258|2.357814|3.130440|2.547077|2.249780|2.678702|1.998029|12.335516|1.555776|1.399734|1.764779|1.252375|2.277132|1.161492|1.079219|1.009770|1.019629|1.088041|1.176564|2.212653|1.936665|1.853498|1.985345|2.283572|2.442107|3.261046|1.891304|3.172982|3.415726|4.418356|5.884221|4.904556|3.618627|17.004066|17.647606|0.059879|0.069398|0.056913|0.069664|0.057120|0.059336|0.073712|0.043597|0.043228|0.038278|0.038539|0.035085|0.031787|0.029543|0.030252|0.027617|0.026829|0.026991|0.028451|0.029803|0.030296|0.033148|0.034385|0.050102|0.046919|0.066750|0.076678|0.048166|0.053136|0.057169|0.082237|0.121429|0.145645|0.089081|0.500000| |2.314875|2.421379|2.590700|3.510051|2.923058|2.567493|3.001797|2.222598|13.461606|1.701516|1.512708|1.905978|1.360018|2.487837|1.256574|1.161970|1.083872|1.100312|1.179541|1.282472|2.535957|2.165430|2.063190|2.240514|2.656488|2.882119|3.631062|2.115609|3.725366|3.796422|4.765496|7.037605|6.728677|4.577721|16.438541|17.560637|0.060206|0.071126|0.059007|0.072649|0.059928|0.065089|0.082321|0.048266|0.047097|0.040941|0.041714|0.037692|0.034202|0.031641|0.032694|0.029520|0.028722|0.029033|0.030806|0.032157|0.032963|0.036328|0.037616|0.055263|0.051507|0.078758|0.094066|0.053109|0.060485|0.063736|0.088276|0.120056|0.223767|0.113247|0.299995|0.500000| 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