Version2.1 2021-01-07T15:54:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)c1ccc(cc1)[C@@H]2[C@@H]3CC=C[C@H]3c4cccc(c4N2)C(=O)NC5CCCCC5 C20697026 RHF 6-31G(d) (6D,7F) CC[NH+](CC)c1ccc(cc1)[C@@H]2[C@@H]3CC=C[C@H]3c4cccc(c4N2)C(=O)NC5CCCCC5 C01[X(C29H38N3O1)] 207 C1 571 CC[NH+](c1ccc(cc1)[C@H]1Nc2c([C@H]3[C@H]1CC=C3)cccc2C(=O)NC1CCCCC1)CC CC[NH+](c1ccc(cc1)[C@H]1Nc2c([C@H]3[C@H]1CC=C3)cccc2C(=O)NC1CCCCC1)CC CC[NH+](CC)c1ccc(cc1)[C@H]2Nc3c(cccc3C(=O)NC4CCCCC4)[C@@H]5C=CC[C@@H]25 InChIKey=UPSWHCUGXKJBLP-FKCDAAJZSA-O InChI=1S/C29H37N3O/c1-3-32(4-2)22-18-16-20(17-19-22)27-24-13-8-12-23(24)25-14-9-15-26(28(25)31-27)29(33)30-21-10-6-5-7-11-21/h8-9,12,14-19,21,23-24,27,31H,3-7,10-11,13H2,1-2H3,(H,30,33)/p+1/t23-,24-,27-/m1/s1 InChI=1/C29H37N3O/c1-3-32(4-2)22-18-16-20(17-19-22)27-24-13-8-12-23(24)25-14-9-15-26(28(25)31-27)29(33)30-21-10-6-5-7-11-21/h8-9,12,14-19,21,23-24,27,31H,3-7,10-11,13H2,1-2H3,(H,30,33)/p+1/t23-,24-,27-/m1/s1/fC29H38N3O/h30,32H/q+1 CC[NH+](CC)c1ccc(cc1)[C@@H]2[C@@H]3CC=C[C@H]3c4cccc(c4N2)C(=O)NC5CCCCC5 C01[X(C29H38N3O1)] 207 C01 571 CC[NH+](c1ccc(cc1)[C@H]1Nc2c([C@H]3[C@H]1CC=C3)cccc2C(=O)NC1CCCCC1)CC CC[NH]([C]1[CH][CH][C]([CH][CH]1)[C@H]1N[C]2[C]([CH][CH][CH][C]2[C]([NH]C2CCCCC2)=O)[C@H]2[C@H]1CC=C2)CC CC[NH](CC)[C]1[CH][CH][C]([CH][CH]1)[C@H]2N[C]3[C]([CH][CH][CH][C]3C(=O)NC4CCCCC4)[C@@H]5C=CC[C@@H]25 InChIKey=NKLITQSPPQMOOD-FKCDAAJZSA-N InChI=1S/C29H38N3O/c1-3-32(4-2)22-18-16-20(17-19-22)27-24-13-8-12-23(24)25-14-9-15-26(28(25)31-27)29(33)30-21-10-6-5-7-11-21/h8-9,12,14-19,21,23-24,27,31-32H,3-7,10-11,13H2,1-2H3,(H,30,33)/t23-,24-,27-/m1/s1 InChI=1/C29H38N3O/c1-3-32(4-2)22-18-16-20(17-19-22)27-24-13-8-12-23(24)25-14-9-15-26(28(25)31-27)29(33)30-21-10-6-5-7-11-21/h8-9,12,14-19,21,23-24,27,31-32H,3-7,10-11,13H2,1-2H3,(H,30,33)/t23-,24-,27-/m1/s1/f/h30H 3302.3695870062 -1358.3385348 1-A 22443.7767 120 451 571 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.58345 -15.84660 -15.64027 -15.63437 -11.43642 -11.43605 -11.42300 -11.41329 -11.37626 -11.37622 -11.37024 -11.36352 -11.36289 -11.35966 -11.35818 -11.35501 -11.35324 -11.31521 -11.31189 -11.30946 -11.30624 -11.30578 -11.30365 -11.30235 -11.29955 -11.29930 -11.29736 -11.28587 -11.27709 -11.26993 -11.26414 -11.26374 -11.26328 -1.48622 -1.45155 -1.33215 -1.29601 -1.28895 -1.22618 -1.21686 -1.20888 -1.18415 -1.16486 -1.15563 -1.14224 -1.11416 -1.09001 -1.07257 -1.06037 -1.04955 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1538.59 1567.21 1572.08 1576.59 1584.63 1592.49 1598.21 1602.91 1603.85 1612.28 1637.72 1648.61 1674.96 1678.01 1688.70 1705.20 1719.20 1727.54 1734.07 1737.94 1753.51 1770.53 1781.27 1794.50 1797.44 1828.32 1850.60 1857.82 1872.74 1882.92 1885.86 1894.61 1902.99 1913.92 1923.30 1956.79 1985.29 1992.94 2016.57 2018.79 2023.61 2027.19 2050.16 2053.81 2060.24 2094.61 2101.65 2111.22 2114.48 2136.78 2150.19 2160.66 2166.38 2181.99 2193.92 2198.26 2203.67 2206.08 2208.34 2214.10 2240.10 2242.50 2251.31 2272.35 2277.82 2283.21 2331.56 2345.83 2347.99 2350.36 2352.93 2353.96 2358.52 2360.81 2361.22 2364.12 2368.56 2372.17 2382.21 2386.95 2422.65 2436.09 2470.96 2582.94 2586.78 2596.88 2604.15 2643.93 2715.55 4511.68 4564.88 4586.23 4587.63 4591.54 4595.60 4596.99 4604.76 4635.07 4637.14 4638.30 4645.12 4662.83 4664.18 4670.19 4671.99 4686.10 4707.83 4729.63 4734.38 4738.89 4750.68 4766.31 4778.86 4822.93 4823.78 4835.05 4848.96 4853.73 4860.38 4866.54 4877.09 4889.30 4899.42 4929.99 5322.15 5470.23 5621.03 0.673545 0.702177 0.703121 0.610408 -1357.664990 -1357.636358 -1357.635413 -1357.728127 3.109643D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE CC[NH+](CC)c1ccc(cc1)[C@@H]2[C@@H]3CC=C[C@H]3c4cccc(c4N2)C(=O)NC5CCCCC5 C20697026 RHF 6-31G(d) (6D,10F) C1 444.301488 |X|Y|Z| 125.676143 75.135432 31.680780 66.880242 27 6 7 25 2 |36.858105| |12.521935|36.858105| |7.526677|12.559807|53.358707| |7.404541|9.344788|25.723500|0.500000| |6.028233|7.541977|17.143082|0.259781|36.858105| |4.304939|4.925714|10.301496|0.201879|12.536221|36.858105| |5.004789|7.677350|17.552643|0.264238|7.626817|6.273847|36.858105| |4.131395|5.471655|10.551207|0.218133|5.403374|5.261873|13.812933|36.858105| |3.238695|4.105833|6.946287|0.138936|4.053629|4.078862|7.977020|13.743601|36.858105| |2.962695|3.799347|6.094601|0.114484|3.759717|3.686029|6.858577|7.892567|13.723153|36.858105| |3.261146|4.388278|6.934867|0.120773|4.346631|4.007393|8.007524|6.904076|7.981096|13.669344|36.858105| 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|1.710873|1.890410|2.677823|0.055237|1.747220|1.745221|2.250982|2.568752|3.022310|2.971153|2.501899|2.224153|3.413543|0.090917|3.015997|0.085884|2.426367|2.300142|2.561994|3.125499|0.084448|3.956626|3.792274|4.506271|6.635740|7.857307|5.187628|6.231890|14.174121|15.178930|53.358707| |1.669950|1.826080|2.533569|0.052260|1.648785|1.625673|2.092656|2.343980|2.669170|2.624329|2.281601|2.067034|2.908604|0.079655|2.550904|0.072368|2.119031|1.993603|2.168821|2.574503|0.070307|3.075388|2.942691|3.362424|4.429186|5.002170|3.839631|4.992512|7.727733|12.185220|17.772308|36.858105| |1.592112|1.711176|2.373266|0.049515|1.551960|1.538350|1.923600|2.157618|2.394297|2.296566|2.018241|1.868844|2.467256|0.066651|2.211237|0.061917|1.879676|1.796159|1.958369|2.280519|0.063294|2.678178|2.627502|3.003936|3.763227|3.960917|3.178413|4.106995|5.176675|8.119992|10.626304|12.451081|36.858105| |1.522213|1.618271|2.208813|0.046004|1.448351|1.422662|1.763070|1.941472|2.106962|2.033666|1.830215|1.717475|2.147525|0.058934|1.928237|0.053997|1.672916|1.592684|1.709591|1.956270|0.054379|2.229661|2.179294|2.431193|2.916655|3.067424|2.590208|3.446420|3.854307|6.541846|6.816205|7.535751|12.435820|36.858105| |1.407430|1.498999|2.038214|0.042072|1.348762|1.322158|1.626537|1.764840|1.918720|1.892140|1.723129|1.608388|2.024947|0.056447|1.837326|0.052196|1.603212|1.527143|1.627362|1.841168|0.050471|2.092874|2.060105|2.306060|2.747508|2.849310|2.411867|3.198698|3.540726|6.131235|6.024374|6.434222|7.517793|12.441796|36.858105| |1.460242|1.574397|2.137220|0.043720|1.410994|1.376579|1.725187|1.862920|2.052382|2.063915|1.878908|1.729822|2.249521|0.063740|2.019798|0.058047|1.744907|1.643854|1.743228|1.987029|0.053848|2.268584|2.203825|2.459446|2.980813|3.175490|2.667774|3.569852|4.115727|7.426063|6.775538|7.533506|6.445979|7.539204|12.443552|36.858105| |1.520891|1.658676|2.283993|0.046679|1.505600|1.479985|1.873674|2.050195|2.313741|2.338892|2.082792|1.883682|2.623837|0.073802|2.351364|0.068221|1.982704|1.869920|2.008832|2.328803|0.062437|2.745548|2.670506|3.057889|3.904294|4.200515|3.323406|4.317628|5.863224|10.018397|10.471617|12.434537|7.544930|6.452033|7.529148|12.439155|36.858105| |17.586458|8.967351|7.527452|0.148720|4.612431|3.484381|4.175917|3.547455|2.907282|2.715338|2.985900|3.689461|2.255374|0.061854|1.994961|0.050838|1.982912|1.769414|1.728031|1.887247|0.056542|1.767616|1.579273|1.491402|1.552656|1.732817|1.871484|2.905399|1.780566|3.385380|2.267201|1.644775|1.569085|1.515712|1.406470|1.460023|1.506816|0.500000| |17.606572|8.708655|9.009741|0.177969|6.442152|4.535912|4.433927|3.657245|2.922386|2.711335|3.004126|3.816082|2.231307|0.060317|2.023126|0.051064|2.058918|1.853964|1.797750|1.932594|0.058442|1.776335|1.590300|1.484479|1.522885|1.684867|1.841440|2.831001|1.694986|3.179842|2.151354|1.537790|1.470119|1.406035|1.307035|1.353837|1.410145|0.303248|0.500000| |17.550100|8.781401|9.336886|0.220067|5.365584|4.190903|4.756678|4.227802|3.275404|2.896707|3.069329|3.801605|2.365751|0.063151|2.101047|0.052856|2.075824|1.873748|1.853697|2.035485|0.062251|1.900041|1.696017|1.593780|1.651511|1.840213|1.997625|3.083771|1.870286|3.503633|2.387085|1.712084|1.648056|1.573353|1.441478|1.483644|1.545094|0.302893|0.300038|0.500000| |8.775370|17.641792|12.345923|0.182666|7.170052|4.615813|6.725007|4.692536|3.757504|3.689408|4.503755|6.468778|2.893597|0.079977|2.527655|0.063181|2.576866|2.209658|2.102312|2.303415|0.069078|2.085025|1.818583|1.681303|1.738918|1.968848|2.197552|3.517792|1.987845|3.824083|2.458445|1.746298|1.625462|1.542086|1.443530|1.526126|1.605946|0.210544|0.209943|0.172176|0.500000| |8.842928|17.655211|12.429136|0.217185|5.595327|4.141412|7.609628|5.871987|4.484219|4.109813|4.630540|6.197854|3.158382|0.085963|2.646544|0.065904|2.572818|2.212976|2.163031|2.446505|0.074299|2.264033|1.959347|1.827400|1.920984|2.209027|2.448882|3.988312|2.271863|4.402500|2.812145|2.007429|1.869582|1.768276|1.629417|1.718166|1.809599|0.217172|0.172262|0.209634|0.302142|0.500000| |7.022451|7.265535|12.382005|0.221831|17.660476|8.848932|5.619105|4.355663|3.381532|3.138250|3.546333|4.716085|2.515665|0.066697|2.337710|0.057817|2.460227|2.213279|2.114297|2.240157|0.068775|1.990274|1.766897|1.615034|1.629947|1.799919|2.015018|3.096631|1.763819|3.278441|2.209445|1.546545|1.467931|1.381557|1.287244|1.339341|1.416998|0.143964|0.241505|0.168833|0.190425|0.145264|0.500000| |5.215380|6.822513|12.383414|0.182417|17.655316|8.792412|7.056357|4.842467|3.873290|3.821076|4.699803|6.849191|2.975389|0.079518|2.768748|0.067605|3.011658|2.610127|2.420417|2.559146|0.077984|2.212789|1.930916|1.741004|1.752158|1.953517|2.232817|3.496755|1.897366|3.560490|2.334503|1.619423|1.512136|1.413824|1.327263|1.398170|1.492353|0.118511|0.154315|0.123952|0.212105|0.145186|0.302159|0.500000| |3.767839|4.109220|7.543848|0.146964|8.959180|17.586884|4.738410|4.073870|3.366725|3.151422|3.443816|4.203634|2.583741|0.066840|2.543411|0.062057|2.800628|2.608762|2.460315|2.505255|0.077909|2.149397|1.919285|1.716533|1.689317|1.837536|2.091155|3.135210|1.744871|3.181651|2.176307|1.494054|1.418173|1.317619|1.231845|1.280789|1.372060|0.087141|0.114545|0.100688|0.111532|0.096637|0.215679|0.211809|0.500000| |3.733822|4.458719|9.198552|0.175683|8.771874|17.616900|6.871858|5.969868|4.769917|4.338077|4.669226|5.753143|3.351945|0.083917|3.275639|0.076981|3.608328|3.264996|3.085864|3.228022|0.104212|2.672498|2.317137|2.031748|1.998470|2.209837|2.589320|3.963346|2.069276|3.775263|2.536319|1.714720|1.609807|1.475282|1.372344|1.435907|1.558420|0.086613|0.105164|0.101260|0.117991|0.109487|0.172850|0.210461|0.301814|0.500000| |4.289418|4.617333|9.325523|0.214530|8.789939|17.552687|5.586330|5.188601|3.964039|3.425847|3.549185|4.332846|2.742656|0.069487|2.626006|0.063497|2.756735|2.571620|2.517647|2.655503|0.085090|2.312400|2.053753|1.844298|1.829005|2.002736|2.274895|3.423597|1.908105|3.460184|2.389010|1.636352|1.563944|1.445136|1.333546|1.377799|1.479056|0.095823|0.124158|0.122965|0.114468|0.110569|0.210764|0.172377|0.302525|0.300156|0.500000| |4.213943|5.151348|9.714923|0.239856|5.090142|5.159633|8.889424|17.687937|8.927669|5.630548|4.965873|5.628041|4.065269|0.097912|3.456720|0.081374|3.223833|2.864911|2.955560|3.507605|0.117851|3.167066|2.667830|2.408939|2.486794|2.877967|3.336132|5.367197|2.790066|5.115305|3.411386|2.301122|2.163934|1.950004|1.752763|1.823664|1.994040|0.099307|0.103280|0.126944|0.117971|0.151645|0.119614|0.120354|0.111029|0.153572|0.154573|0.500000| |2.875984|3.467402|5.654175|0.118127|3.417677|3.532419|5.673480|8.942886|17.775777|8.942000|5.668750|4.952790|6.921691|0.144490|5.308412|0.118953|4.247897|3.693222|4.053631|5.622437|0.201165|5.188685|3.933676|3.429708|3.610023|4.509952|5.833867|10.302498|4.116509|7.410337|4.679810|2.951085|2.655745|2.284493|2.052192|2.180536|2.494824|0.072599|0.072489|0.082485|0.087833|0.105141|0.081810|0.089803|0.082897|0.112441|0.098629|0.216278|0.500000| |2.901638|3.774904|5.640152|0.099207|3.741155|3.453314|5.688088|4.968525|5.662452|8.901145|17.720468|8.988859|7.029537|0.219387|5.650135|0.134019|5.868974|4.019610|3.564768|4.103689|0.114963|3.433363|2.765158|2.435111|2.505024|2.967855|3.643534|6.428758|2.851677|5.647845|3.258513|2.195669|1.928565|1.760198|1.680281|1.848610|2.045358|0.075399|0.075381|0.075138|0.111721|0.109359|0.087352|0.115812|0.085676|0.109560|0.084821|0.107750|0.124394|0.500000| |4.282145|6.342049|9.545957|0.144186|6.325734|4.872537|8.851469|5.625467|4.948818|5.620634|8.949503|17.726943|4.092289|0.114226|3.546942|0.085834|3.783639|3.005971|2.745078|3.024696|0.089969|2.603001|2.198059|1.975720|2.022929|2.324845|2.713734|4.497992|2.281439|4.419416|2.728605|1.886430|1.714006|1.593765|1.505032|1.617912|1.743161|0.106731|0.111785|0.103758|0.211507|0.165062|0.138193|0.223231|0.116998|0.144929|0.112230|0.123525|0.107541|0.217877|0.500000| |2.378645|2.877542|4.661260|0.087390|3.387166|3.623932|4.402330|4.392445|5.205680|6.761033|6.725868|5.195967|6.518193|0.157010|8.641844|0.174531|17.513330|8.865623|6.443470|6.498131|0.179669|4.390647|3.493289|2.842346|2.725159|3.080563|3.981121|6.180934|2.705545|4.967848|3.123707|2.029208|1.818615|1.628906|1.550078|1.675017|1.882621|0.060525|0.063908|0.063836|0.081228|0.079720|0.079030|0.100178|0.092389|0.124995|0.089660|0.101521|0.125850|0.186523|0.126181|0.500000| |2.046270|2.428363|3.711351|0.069930|2.679953|2.759942|3.346191|3.314119|3.911131|5.121492|5.188187|3.994046|6.002628|0.166609|8.673017|0.224370|17.549651|8.716412|5.936765|5.667915|0.136054|4.232529|3.466533|2.865451|2.748932|3.074677|3.882124|5.826240|2.706042|5.016161|3.103423|2.021168|1.786203|1.606327|1.555851|1.704526|1.923401|0.053293|0.054974|0.054686|0.069601|0.068191|0.064813|0.079983|0.072230|0.089451|0.069572|0.079055|0.099274|0.166489|0.102947|0.302368|0.500000| |1.796340|2.052936|3.199592|0.062357|2.390748|2.623844|2.743467|2.819953|3.200439|3.613683|3.437178|2.977673|3.960345|0.100478|5.647694|0.146293|8.344903|17.723862|8.945033|5.645872|0.138021|4.107372|3.700246|2.937634|2.630367|2.750326|3.361181|4.528091|2.340253|4.121989|2.782801|1.796873|1.634502|1.463376|1.410118|1.511149|1.701396|0.046413|0.049023|0.048900|0.057587|0.056670|0.058760|0.069082|0.070538|0.085354|0.067745|0.070961|0.086108|0.097861|0.077028|0.192850|0.201945|0.500000| |1.725944|1.945271|3.035283|0.061106|2.189899|2.424779|2.604301|2.867361|3.371331|3.536044|3.059927|2.666081|4.032329|0.096253|5.628653|0.146405|5.613039|8.956302|17.735099|8.300411|0.191919|6.257850|6.199726|4.311850|3.518985|3.502896|4.328869|5.195179|2.778695|4.648295|3.316319|2.065409|1.892463|1.652064|1.573001|1.669178|1.917927|0.044608|0.046530|0.048046|0.053076|0.054638|0.054383|0.060962|0.063729|0.077867|0.065405|0.074579|0.098310|0.082615|0.066878|0.134484|0.126274|0.207051|0.500000| |1.603364|1.788150|2.718176|0.055484|1.899625|2.042859|2.316640|2.618027|3.134793|3.197030|2.678073|2.331934|3.833853|0.092560|4.724040|0.134615|3.930008|4.693942|6.776505|6.840257|0.157054|8.970917|17.722123|8.931629|5.681994|4.935944|5.626826|5.709761|3.552684|5.546997|4.271444|2.531472|2.309091|1.952921|1.855561|1.966775|2.331906|0.041943|0.042684|0.045104|0.048283|0.051284|0.047902|0.052302|0.053126|0.063634|0.056258|0.069540|0.096990|0.071976|0.058309|0.095624|0.094717|0.111846|0.219265|0.500000| |1.446449|1.589592|2.349573|0.048303|1.619060|1.700413|1.963401|2.209926|2.589006|2.599281|2.214091|1.961322|3.074148|0.077949|3.344125|0.098509|2.780736|3.007781|3.697563|4.054584|0.101274|5.635024|8.882555|17.739140|8.934084|5.610612|4.916453|4.922844|4.099408|5.956737|5.322067|3.044634|2.805345|2.302585|2.204726|2.317806|2.833585|0.038352|0.038268|0.040920|0.042770|0.046153|0.041499|0.044404|0.044259|0.051591|0.047302|0.059767|0.080810|0.059807|0.049580|0.069785|0.070745|0.074873|0.108597|0.214826|0.500000| |1.522242|1.677295|2.430117|0.049975|1.633867|1.674180|2.039447|2.309496|2.729584|2.734030|2.307399|2.035140|3.260494|0.084757|3.209709|0.094633|2.581640|2.589796|3.013461|3.567224|0.091777|4.964571|5.689253|9.020623|17.734763|8.903471|5.628791|5.674044|7.038220|8.802754|10.037580|4.910435|4.229804|3.207585|3.055538|3.289627|4.425202|0.040758|0.039746|0.043149|0.044934|0.049655|0.042014|0.044761|0.043130|0.050263|0.046624|0.062392|0.086085|0.062150|0.051246|0.065814|0.066780|0.063963|0.082501|0.125019|0.217277|0.500000| |2.257221|2.669628|3.883407|0.077262|2.454936|2.413355|3.598647|4.190731|5.789345|6.564465|4.771239|3.749131|9.216584|0.234808|5.829678|0.155617|4.069909|3.420637|3.687907|5.121145|0.137312|5.843126|4.330996|4.082147|4.889497|7.577186|9.572737|25.975030|7.867021|17.757358|7.036219|4.218605|3.326280|2.791621|2.591708|2.954729|3.609577|0.059978|0.057231|0.062795|0.071537|0.082518|0.060943|0.068160|0.059885|0.074035|0.065370|0.102729|0.175573|0.123841|0.088684|0.106460|0.103584|0.079904|0.088813|0.099067|0.092460|0.115081|0.500000| |1.636346|1.794186|2.562496|0.053186|1.686578|1.703026|2.137686|2.449432|2.857774|2.769659|2.335965|2.094766|3.151575|0.082533|2.880609|0.081720|2.341702|2.268951|2.564142|3.089331|0.083774|3.973165|4.001190|5.005616|7.508471|7.479178|4.926844|5.636379|9.424940|10.900487|26.119518|9.015495|7.508958|4.722105|4.126238|4.339000|6.204117|0.044082|0.042218|0.046795|0.047516|0.053983|0.043615|0.045804|0.043482|0.050522|0.047836|0.067167|0.091226|0.061907|0.052534|0.061514|0.060718|0.056239|0.068898|0.092043|0.122977|0.256580|0.122851|0.500000| |1.809388|1.989299|2.732623|0.056267|1.755155|1.711477|2.264906|2.535834|2.880384|2.826191|2.461855|2.234741|3.079526|0.085115|2.616544|0.073374|2.174151|2.010263|2.163314|2.588816|0.071426|3.018011|2.798588|3.078818|3.936158|4.698273|3.825146|5.274268|7.347922|13.693790|12.623199|17.596090|8.893464|6.838388|5.701130|6.850519|8.903468|0.049705|0.045895|0.051499|0.052691|0.061525|0.045702|0.047873|0.043457|0.050008|0.047784|0.068880|0.087701|0.065474|0.056488|0.058358|0.057695|0.050219|0.056611|0.067193|0.076666|0.114526|0.128402|0.184052|0.500000| |1.687345|1.808968|2.522106|0.053108|1.638169|1.628886|2.041659|2.323686|2.567091|2.403842|2.094055|1.953568|2.536487|0.067446|2.259957|0.062299|1.920978|1.836960|2.012911|2.360840|0.066631|2.758324|2.684443|3.024212|3.734936|3.984721|3.265077|4.248638|5.034209|7.850415|9.705758|8.840232|17.530289|8.800574|5.480290|4.836035|5.498273|0.045993|0.043127|0.048932|0.047289|0.055034|0.043035|0.043996|0.041506|0.047291|0.046334|0.065608|0.080268|0.054885|0.049444|0.052054|0.050248|0.046312|0.054066|0.065581|0.077900|0.112777|0.094584|0.199611|0.215250|0.500000| |1.483572|1.589830|2.220102|0.046311|1.467591|1.466677|1.794907|2.007954|2.228975|2.147153|1.890101|1.748308|2.327087|0.062610|2.135207|0.060213|1.822856|1.766633|1.939071|2.232093|0.061507|2.648592|2.675247|3.142432|3.920317|3.876087|3.068345|3.843399|4.752008|7.175938|9.721988|8.855457|17.474198|8.853070|6.778371|5.668509|6.809929|0.040492|0.038317|0.042611|0.042091|0.047796|0.038578|0.039763|0.037747|0.042715|0.041431|0.055976|0.068740|0.050393|0.044673|0.048713|0.048105|0.044824|0.052602|0.065591|0.083349|0.128278|0.084500|0.219895|0.174196|0.302416|0.500000| |1.621193|1.722067|2.327319|0.048489|1.512924|1.473358|1.852622|2.035054|2.191114|2.107007|1.905930|1.799351|2.193863|0.060479|1.940158|0.053943|1.687491|1.590485|1.695305|1.947564|0.054504|2.188829|2.102269|2.298532|2.734880|2.959465|2.559781|3.499261|3.749646|6.644455|6.275749|6.789604|8.858389|17.502124|8.850448|6.780891|5.658788|0.045075|0.041334|0.046600|0.045449|0.052707|0.040159|0.040976|0.037781|0.042277|0.041576|0.056825|0.065538|0.050746|0.046396|0.045949|0.045062|0.040561|0.045211|0.052408|0.059897|0.081286|0.079627|0.116752|0.201515|0.214881|0.173826|0.500000| |1.458514|1.535600|2.098656|0.043934|1.383317|1.364141|1.658844|1.824813|1.957949|1.874425|1.695175|1.605422|1.959301|0.053441|1.779960|0.049624|1.560348|1.497623|1.608706|1.822535|0.050936|2.061575|2.035901|2.265611|2.658249|2.736318|2.346191|3.105908|3.286102|5.520115|5.651568|5.498125|8.841092|17.546431|8.805697|5.490157|4.841962|0.040327|0.037551|0.042062|0.040556|0.046337|0.036821|0.037377|0.035196|0.039142|0.038673|0.051378|0.058958|0.045189|0.041506|0.042363|0.041553|0.038414|0.043487|0.051212|0.060373|0.081080|0.068674|0.114216|0.140214|0.212086|0.215317|0.303604|0.500000| |1.363104|1.441788|1.945149|0.040133|1.290229|1.259509|1.538348|1.654393|1.777338|1.753523|1.616088|1.521434|1.855419|0.051960|1.686898|0.047787|1.489203|1.417067|1.498890|1.681446|0.046237|1.882238|1.847979|2.039517|2.379121|2.470584|2.144089|2.879235|2.995064|5.298140|4.860269|4.833031|5.486045|8.825173|17.543369|8.811169|5.486942|0.038044|0.035199|0.038749|0.038634|0.043476|0.034375|0.035290|0.032685|0.036131|0.035288|0.045725|0.052310|0.043872|0.039803|0.040182|0.040314|0.036537|0.040263|0.046686|0.054406|0.072303|0.064499|0.093155|0.127639|0.123125|0.139278|0.215154|0.211488|0.500000| 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|1.543613|1.667158|2.240339|0.045720|1.468621|1.420081|1.806961|1.941205|2.127366|2.142872|1.964376|1.814581|2.309403|0.066025|2.038981|0.058221|1.765757|1.644392|1.730066|1.979835|0.053952|2.227962|2.125765|2.323995|2.790897|3.062098|2.639146|3.636507|4.003756|7.638468|6.244524|6.791065|5.659419|6.780935|8.848248|17.498488|8.849568|0.043107|0.039550|0.043482|0.044900|0.050923|0.038761|0.040464|0.036609|0.041027|0.039417|0.052638|0.062235|0.053669|0.047216|0.047370|0.048041|0.041955|0.045696|0.052780|0.060271|0.083112|0.084855|0.108736|0.202058|0.126723|0.131213|0.199342|0.139205|0.214766|0.173721|0.500000| 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