Version2.0 2019-11-12T20:16:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCc1ccc(cc1)C(=O)N(CCCC)CC(=O)N2CCc3c(ccs3)[C@H]2c4ccccc4C C16529961 RHF 6-31G(d) (6D,7F) CCCCc1ccc(cc1)C(=O)N(CCCC)CC(=O)N2CCc3c(ccs3)[C@H]2c4ccccc4C C01[X(C31H38N2O2S1)] 216 C1 620 CCCCN(C(=O)c1ccc(cc1)CCCC)CC(=O)N1CCc2c([C@H]1c1ccccc1C)ccs2 CCCCN(C(=O)c1ccc(cc1)CCCC)CC(=O)N1CCc2c([C@H]1c1ccccc1C)ccs2 CCCCN(CC(=O)N1CCc2sccc2[C@H]1c3ccccc3C)C(=O)c4ccc(CCCC)cc4 InChIKey=LBQNZGRKTXEMBJ-SSEXGKCCSA-N InChI=1S/C31H38N2O2S/c1-4-6-11-24-13-15-25(16-14-24)31(35)32(19-7-5-2)22-29(34)33-20-17-28-27(18-21-36-28)30(33)26-12-9-8-10-23(26)3/h8-10,12-16,18,21,30H,4-7,11,17,19-20,22H2,1-3H3/t30-/m1/s1 InChI=1/C31H38N2O2S/c1-4-6-11-24-13-15-25(16-14-24)31(35)32(19-7-5-2)22-29(34)33-20-17-28-27(18-21-36-28)30(33)26-12-9-8-10-23(26)3/h8-10,12-16,18,21,30H,4-7,11,17,19-20,22H2,1-3H3/t30-/m1/s1 CCCCc1ccc(cc1)C(=O)N(CCCC)CC(=O)N2CCc3c(ccs3)[C@H]2c4ccccc4C C01[X(C31H38N2O2S1)] 216 C01 620 CCCCN(C(=O)c1ccc(cc1)CCCC)CC(=O)N1CCc2c([C@H]1c1ccccc1C)ccs2 CCCCN(C(=O)c1ccc(cc1)CCCC)CC(=O)N1CCc2c([C@H]1c1ccccc1C)ccs2 CCCCN(CC(=O)N1CCc2sccc2[C@H]1c3ccccc3C)C(=O)c4ccc(CCCC)cc4 InChIKey=LBQNZGRKTXEMBJ-SSEXGKCCSA-N InChI=1S/C31H38N2O2S/c1-4-6-11-24-13-15-25(16-14-24)31(35)32(19-7-5-2)22-29(34)33-20-17-28-27(18-21-36-28)30(33)26-12-9-8-10-23(26)3/h8-10,12-16,18,21,30H,4-7,11,17,19-20,22H2,1-3H3/t30-/m1/s1 InChI=1/C31H38N2O2S/c1-4-6-11-24-13-15-25(16-14-24)31(35)32(19-7-5-2)22-29(34)33-20-17-28-27(18-21-36-28)30(33)26-12-9-8-10-23(26)3/h8-10,12-16,18,21,30H,4-7,11,17,19-20,22H2,1-3H3/t30-/m1/s1 4042.7012038818 -1852.21102 1-A 23104.9887 135 485 620 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2235.04 2249.05 2252.44 2253.26 2254.21 2257.28 2258.87 2278.86 2301.39 2320.19 2347.14 2350.85 2352.41 2354.00 2354.04 2358.66 2365.32 2365.37 2367.42 2370.35 2374.94 2378.39 2384.16 2385.14 2387.27 2396.17 2401.10 2436.67 2537.08 2559.45 2597.25 2604.77 2620.76 2753.80 2792.35 4571.70 4583.13 4583.81 4592.79 4595.37 4601.19 4604.35 4609.37 4613.60 4614.71 4624.10 4628.18 4636.89 4648.42 4671.94 4675.06 4684.20 4685.82 4693.07 4693.54 4694.37 4701.00 4703.67 4731.69 4748.69 4769.48 4782.39 4782.76 4821.70 4825.90 4837.04 4838.71 4859.37 4874.36 4881.16 4889.18 4895.25 4955.25 0.678557 0.712209 0.713153 0.608193 -1851.532463 -1851.498811 -1851.497867 -1851.602827 3.520376D-04 MUNgauss RevisionA1.9 retrievium 12-Nov-2019 DUDE CCCCc1ccc(cc1)C(=O)N(CCCC)CC(=O)N2CCc3c(ccs3)[C@H]2c4ccccc4C C16529961 RHF 6-31G(d) (6D,10F) C1 502.265382 |X|Y|Z| 94.382622 109.236204 47.585079 78.869632 25 6 7 16 22 2 1 |36.858105| |12.465070|36.858105| |7.476235|12.454845|36.858105| |4.858807|7.457660|12.405349|36.858105| |3.743549|4.877963|7.497949|12.587813|36.858105| |3.283205|4.035992|5.667105|7.537373|13.687113|36.858105| |2.721717|3.170851|4.168028|5.009427|7.889912|13.782103|36.858105| |2.520325|2.894016|3.738664|4.414353|6.797926|7.920860|13.710773|36.858105| |2.711901|3.162218|4.149908|5.005468|7.883070|6.893955|7.957032|13.720391|36.858105| |3.274390|4.027799|5.645323|7.540369|13.711278|7.983472|6.901605|7.922193|13.751606|36.858105| |2.132592|2.370985|2.918441|3.275626|4.426724|5.061422|7.673555|12.670404|7.508294|5.012185|36.858105| |2.061333|2.245744|2.736095|2.957574|3.835631|4.505209|6.569759|8.126205|5.479210|4.106466|15.828622|73.516695| |1.913403|2.122194|2.539124|2.866004|3.696265|3.976719|5.300906|7.701094|6.165721|4.298682|13.975586|15.136169|53.358707| |1.695219|1.843828|2.156155|2.363664|2.905507|3.113217|3.936701|5.009169|4.282923|3.273300|7.880418|12.619746|17.755658|36.858105| |1.569120|1.702054|1.962702|2.150088|2.588038|2.847364|3.559839|4.120859|3.445839|2.785789|5.898437|10.511527|10.359200|12.461629|36.858105| |1.411223|1.510507|1.714933|1.844737|2.160159|2.336896|2.804148|3.152839|2.762291|2.311222|4.155457|7.735636|6.732285|7.506798|12.452336|36.858105| |1.314406|1.403163|1.575305|1.691043|1.947949|2.124134|2.501601|2.693967|2.363908|2.036844|3.360048|6.304980|5.134430|4.876146|7.476831|12.466044|36.858105| |1.886301|2.123175|2.509353|2.919816|3.710883|3.823208|4.733504|6.473286|6.017462|4.396640|7.679290|9.524766|18.035569|7.714296|5.797095|4.128510|3.337795|36.858105| |1.858394|2.079832|2.429626|2.787135|3.424083|3.302088|3.804950|5.074877|5.595424|4.265335|5.455057|7.412827|10.453378|5.904263|4.371994|3.503704|2.848937|12.415709|36.858105| |1.856073|2.046663|2.393075|2.664958|3.243570|3.098502|3.554338|4.768886|5.397215|4.095236|5.271657|7.460130|9.537303|5.943399|4.154969|3.472110|2.767472|8.015737|15.887105|73.516695| |1.795557|2.021550|2.312690|2.680634|3.166582|2.982849|3.266739|4.047283|4.565577|3.857569|4.057862|5.811590|6.954576|4.256322|3.506895|2.940319|2.499913|7.660799|13.923335|15.079393|53.358707| |1.689574|1.909196|2.152743|2.520203|2.921173|2.823195|3.066302|3.594018|3.812891|3.360192|3.604852|5.284865|6.049946|3.813234|3.410120|2.864982|2.520649|6.645183|7.755184|9.560713|17.704702|36.858105| |1.663781|1.887970|2.084490|2.446721|2.723026|2.573243|2.676813|3.009857|3.262378|3.068223|2.901566|4.381128|4.553589|2.930932|2.689359|2.336096|2.114876|4.466671|5.088336|7.157350|10.427373|12.502717|36.858105| |1.577427|1.766151|1.929100|2.208578|2.415560|2.255153|2.332085|2.633134|2.902807|2.749206|2.567779|3.948129|4.006307|2.666524|2.415718|2.161722|1.949366|3.725608|4.554927|6.916212|9.194425|7.795256|12.743365|36.858105| |1.596132|1.772290|1.949143|2.199580|2.426681|2.248310|2.345112|2.708704|3.044315|2.832169|2.672507|4.104664|4.212193|2.830595|2.485703|2.240224|1.981819|3.853607|5.145748|8.218602|10.495524|6.830738|7.650607|14.198179|36.858105| |1.481291|1.623771|1.758955|1.944934|2.100782|1.947891|2.012791|2.285109|2.547083|2.413117|2.264776|3.563874|3.491775|2.415487|2.150047|1.990665|1.780112|3.028250|3.842975|6.569035|6.756127|4.546685|5.090654|8.229089|13.203780|36.858105| |1.399951|1.533995|1.640642|1.814264|1.929435|1.798447|1.840705|2.046627|2.248230|2.167241|2.017457|3.205686|3.068650|2.130543|1.944341|1.811467|1.649851|2.640649|3.171258|5.328415|5.440398|3.997899|4.823390|7.714449|8.223846|14.202304|36.858105| |1.430508|1.585952|1.695662|1.909557|2.029907|1.903472|1.940734|2.132828|2.317064|2.248259|2.082619|3.286180|3.166813|2.164232|2.009964|1.845626|1.699678|2.793105|3.231329|5.173372|5.709350|4.696409|6.639599|10.995645|7.447392|7.453865|11.012036|388.023441| |1.721528|1.913967|2.152598|2.432212|2.771722|2.558381|2.725691|3.288083|3.794689|3.366909|3.276857|4.906101|5.319975|3.486564|2.904181|2.561429|2.198374|4.987715|7.948554|12.838690|17.518302|7.451456|6.376352|7.565913|12.588545|7.302236|5.078993|33.641802|36.858105| |1.620099|1.778040|1.995599|2.213538|2.521683|2.368143|2.558390|3.089921|3.467469|3.025025|3.204816|4.884178|5.297872|3.660617|3.011229|2.716758|2.298829|4.731834|7.435987|13.723182|12.470986|6.054750|5.004739|5.864593|8.999864|6.733093|4.679041|29.418929|17.639465|0.500000| |1.903411|2.118854|2.391714|2.679645|3.021499|2.680301|2.782944|3.361970|4.137907|3.808426|3.200112|4.820597|4.893571|3.141284|2.595792|2.296245|1.980582|4.279622|6.282187|11.594004|10.404267|5.108401|4.817132|5.472403|7.655493|5.972015|4.377015|28.127309|12.416448|0.247253|36.858105| |2.114088|2.404021|2.710880|3.114324|3.445720|2.933866|2.935416|3.464316|4.425430|4.400970|3.112197|4.675988|4.557286|2.840615|2.404032|2.105208|1.847191|3.985326|5.244332|8.981251|8.632880|4.787235|4.899906|5.215649|6.180213|4.937094|4.009176|27.607842|7.575748|0.156078|13.708048|36.858105| |2.327627|2.639003|2.943270|3.292626|3.490695|2.879638|2.792743|3.210467|4.144592|4.430846|2.826803|4.349458|3.967604|2.504577|2.140639|1.896408|1.677834|3.277260|4.013434|7.215819|6.001079|3.578649|3.680982|3.873245|4.387687|3.909734|3.337243|22.639237|5.006033|0.116125|7.872672|13.779219|36.858105| |2.250769|2.471081|2.737121|2.915162|3.080383|2.596250|2.549994|2.935062|3.707143|3.846528|2.656678|4.175604|3.709960|2.407233|2.044206|1.841222|1.622339|2.945834|3.605441|6.894242|5.126904|3.047598|3.044550|3.270559|3.816029|3.609219|3.051354|19.807234|4.408963|0.110113|6.832595|7.979158|13.765811|36.858105| |2.004017|2.167372|2.413268|2.553255|2.769860|2.417644|2.449712|2.874456|3.539099|3.438910|2.711964|4.278891|3.885898|2.582179|2.157826|1.964373|1.709873|3.060013|3.898841|7.897164|5.439793|3.126850|3.025943|3.333646|4.103303|3.965241|3.207225|20.007175|4.979191|0.131755|7.947835|6.949730|7.972822|13.780168|36.858105| |1.859598|2.027301|2.275180|2.461242|2.740349|2.445001|2.540461|3.046973|3.698126|3.413363|2.957950|4.586219|4.430809|2.955252|2.428696|2.200421|1.891023|3.606265|4.981569|10.381401|7.140955|3.829808|3.591350|4.064978|5.424902|5.029474|3.778738|23.132810|7.423423|0.201089|13.629483|7.918620|6.806753|7.854400|13.681238|36.858105| |1.662068|1.784267|1.991037|2.121826|2.366231|2.179680|2.309519|2.756920|3.176548|2.857294|2.810349|4.456515|4.297699|3.031611|2.483030|2.313143|1.967938|3.388981|4.597490|10.138729|6.258737|3.480883|3.169979|3.602107|4.783631|4.715470|3.552678|21.196495|6.279793|0.210811|7.450596|4.990548|4.418375|5.022787|7.612878|12.582103|36.858105| |17.538302|8.774869|6.775225|4.491666|3.628946|3.134734|2.658804|2.524097|2.762576|3.318022|2.148108|3.690482|2.630754|1.717613|1.574679|1.420908|1.315267|1.898266|1.894016|3.402418|2.482473|1.695784|1.665121|1.593458|1.628346|1.517740|1.426404|10.261130|1.766287|0.046319|1.976883|2.189218|2.448057|2.412298|2.139859|1.956938|1.745812|0.500000| |17.548221|8.772783|5.455812|4.035957|3.171175|2.826999|2.386231|2.223440|2.379488|2.821369|1.911435|3.288169|2.364390|1.552548|1.447014|1.310140|1.227271|1.724353|1.705137|3.020151|2.263810|1.577207|1.567526|1.492950|1.504479|1.406330|1.338637|9.733744|1.604645|0.041986|1.766190|1.959348|2.155620|2.086397|1.859885|1.726502|1.549183|0.301650|0.500000| |17.538496|8.774956|6.774959|4.491483|3.628878|3.329172|2.774670|2.524161|2.648187|3.125740|2.150926|3.749659|2.598969|1.699777|1.582974|1.425436|1.332047|1.858547|1.809227|3.215875|2.357187|1.634557|1.595392|1.506864|1.524379|1.412799|1.334543|9.705520|1.649357|0.043380|1.804078|1.977190|2.142372|2.079892|1.883233|1.765402|1.595805|0.301758|0.301659|0.500000| |8.860376|17.507683|8.855442|6.862517|4.550568|3.969764|3.094896|2.758553|2.932633|3.650067|2.276462|3.846882|2.780430|1.779916|1.664771|1.477264|1.383991|2.052060|1.984262|3.434200|2.638035|1.860101|1.847236|1.713594|1.700897|1.556421|1.481470|11.000068|1.820441|0.046970|1.982661|2.239738|2.409942|2.235244|1.981803|1.880336|1.667175|0.172949|0.212777|0.210685|0.500000| |8.860417|17.507192|8.855524|6.862911|4.550556|3.653527|2.937483|2.758407|3.089024|3.964440|2.273103|3.783439|2.819116|1.800248|1.655176|1.472244|1.365315|2.105467|2.096842|3.662353|2.815867|1.951141|1.957102|1.843251|1.847908|1.699050|1.609241|11.822954|1.980155|0.050738|2.217298|2.560406|2.868423|2.660648|2.285144|2.115082|1.839057|0.210680|0.212782|0.172950|0.303953|0.500000| |6.864409|8.845105|17.517470|8.848220|6.897657|5.093289|4.013907|3.807933|4.417280|6.036393|2.991635|4.974970|3.551496|2.219779|1.987021|1.742457|1.584989|2.560434|2.532047|4.519117|3.255289|2.179811|2.098929|1.968356|2.019087|1.828656|1.689835|12.253250|2.256340|0.058297|2.560017|2.896347|3.222037|3.062898|2.677900|2.476140|2.151673|0.203600|0.140294|0.168979|0.173582|0.211420|0.500000| |6.865197|8.846068|17.517082|8.846575|6.896912|6.074384|4.445775|3.808058|3.992813|5.071910|2.999143|5.121573|3.474960|2.181937|2.003602|1.750737|1.614352|2.466042|2.340749|4.110035|2.988884|2.055006|1.965091|1.812764|1.831601|1.654278|1.543687|11.344401|2.028112|0.052775|2.216468|2.454488|2.608738|2.458515|2.222102|2.120639|1.889574|0.169002|0.140305|0.203618|0.211436|0.173591|0.304165|0.500000| |4.536193|6.866656|8.847316|17.529653|8.914990|7.129161|4.724346|3.973125|4.218314|5.678186|3.038711|4.937965|3.645727|2.233093|2.076122|1.784986|1.657637|2.742042|2.568360|4.310489|3.394778|2.409665|2.359173|2.107734|2.066896|1.831862|1.728755|13.098772|2.247958|0.056987|2.418443|2.779156|2.876380|2.547658|2.263706|2.210593|1.932302|0.111286|0.108641|0.119654|0.207357|0.171299|0.173736|0.211672|0.500000| |4.536328|6.866332|8.848357|17.531187|8.915846|5.667220|4.214919|3.973046|4.729382|7.147623|3.030960|4.806210|3.734526|2.273783|2.057680|1.776218|1.625868|2.873701|2.828013|4.790422|3.801792|2.618263|2.602095|2.364501|2.348867|2.078028|1.942177|14.559005|2.572107|0.064141|2.887263|3.478435|3.774158|3.241783|2.752409|2.623372|2.215809|0.119668|0.108641|0.111285|0.171264|0.207357|0.211759|0.173731|0.303821|0.500000| |3.377921|4.151958|5.570383|6.992579|8.904912|17.697121|8.951210|5.643777|4.961329|5.661185|4.132060|6.884514|4.566709|2.739205|2.585030|2.159757|2.003325|3.235015|2.813876|4.706606|3.528231|2.509052|2.327367|2.048093|2.023331|1.774375|1.657470|12.524073|2.255149|0.058338|2.343175|2.556064|2.527961|2.297729|2.140854|2.154450|1.941490|0.086942|0.081270|0.097310|0.118954|0.101446|0.130668|0.176517|0.213184|0.143577|0.500000| |2.483261|2.824697|3.560123|4.086575|5.624866|8.919038|17.732698|8.933826|5.659615|4.968391|7.176528|12.479423|6.821185|3.931113|3.753740|2.945533|2.675255|4.323399|3.406547|5.673022|3.999710|2.825295|2.464154|2.151273|2.151454|1.863232|1.716673|12.893480|2.466271|0.065220|2.468296|2.558479|2.426750|2.243514|2.182832|2.274702|2.112247|0.066979|0.061199|0.071376|0.077925|0.072337|0.094396|0.107942|0.111891|0.096991|0.215801|0.500000| |2.474386|2.819272|3.547868|4.091562|5.631595|4.964528|5.649169|8.896229|17.733838|8.941997|6.899223|9.048407|8.852432|4.595174|3.514627|2.853254|2.393476|6.514439|6.995829|12.976122|7.301157|4.124418|3.453298|3.155857|3.433462|2.845815|2.450181|17.584282|4.527094|0.115407|5.096056|5.183951|4.702253|4.284402|4.244323|4.570777|3.857835|0.071043|0.061036|0.066689|0.072281|0.077876|0.107303|0.093922|0.097225|0.112334|0.107693|0.124245|0.500000| |3.360007|4.132935|5.530157|6.982212|8.903322|5.658256|4.966118|5.649400|8.959937|17.705502|4.087935|6.117762|5.056573|2.941927|2.505097|2.124844|1.877694|3.900382|4.060949|7.080012|5.214151|3.278409|3.089386|2.843584|2.965711|2.550649|2.280861|16.622562|3.506398|0.086383|4.200569|5.140652|5.578894|4.706075|3.965511|3.781798|3.042545|0.096676|0.080934|0.086487|0.101174|0.118516|0.174431|0.129800|0.143717|0.213686|0.124145|0.107776|0.217275|0.500000| |1.614562|1.752870|2.027048|2.219901|2.678565|2.784924|3.377620|4.250899|3.918070|3.061629|5.854354|9.193941|12.580430|17.585001|8.807743|6.865255|4.530045|7.473187|6.697578|12.430802|6.486636|4.157857|3.129545|2.907386|3.153412|2.681756|2.330649|16.611161|3.957937|0.120266|3.430691|2.989242|2.588733|2.501759|2.743752|3.235930|3.426584|0.045625|0.041290|0.044658|0.046888|0.048001|0.058277|0.056316|0.058112|0.060277|0.068397|0.091731|0.121644|0.078554|0.500000| |1.712837|1.841647|2.158799|2.316712|2.833298|3.032644|3.815322|4.801901|4.133034|3.184411|7.513156|13.966111|12.559010|17.651633|8.860972|6.857633|4.537636|5.750033|4.897855|9.489479|4.968666|3.221202|2.576162|2.393829|2.566297|2.238539|1.976012|14.070529|3.142561|0.092284|2.943974|2.668963|2.412343|2.367499|2.553361|2.864313|2.974021|0.048493|0.043445|0.047948|0.049104|0.049684|0.062304|0.061171|0.060400|0.061493|0.074392|0.106306|0.123424|0.079805|0.303946|0.500000| |1.625910|1.762550|2.043257|2.231269|2.701398|3.065096|3.928554|4.369622|3.484454|2.838471|6.349622|12.507349|9.459812|8.909440|17.569704|8.841206|6.847191|5.130705|3.838790|6.502077|4.268727|3.066044|2.484549|2.219542|2.263383|1.969971|1.796499|13.271218|2.617096|0.074082|2.400887|2.272319|2.055121|1.960294|2.040759|2.252923|2.268170|0.045109|0.041524|0.045909|0.048090|0.047178|0.057046|0.058676|0.060236|0.058475|0.077983|0.120495|0.095335|0.069816|0.173889|0.214020|0.500000| |1.540613|1.684110|1.930103|2.144978|2.566913|2.813430|3.460792|3.941536|3.347799|2.748261|5.245654|8.729317|9.442499|8.825293|17.484548|8.859764|6.876183|6.242984|4.525976|7.211031|5.110409|3.841687|2.971474|2.608618|2.631156|2.247547|2.047771|15.332340|3.026097|0.086080|2.635912|2.455267|2.156494|2.029190|2.127149|2.412091|2.440181|0.042743|0.039620|0.042986|0.046017|0.045721|0.053865|0.054349|0.058019|0.057430|0.071282|0.100677|0.094241|0.068888|0.209792|0.173566|0.302911|0.500000| |1.362099|1.457624|1.645718|1.771813|2.059125|2.185347|2.575919|2.930109|2.652076|2.229580|3.746213|6.689112|6.287553|6.894250|8.840738|17.500502|8.861237|4.086549|3.645337|6.475673|4.207476|3.002784|2.432878|2.283860|2.389335|2.131133|1.929354|13.857358|2.729593|0.082127|2.399373|2.161093|1.929732|1.879899|2.029792|2.305955|2.471467|0.038217|0.035231|0.038007|0.039499|0.039733|0.046648|0.046270|0.047464|0.047873|0.055941|0.073566|0.077608|0.057710|0.206968|0.170475|0.173468|0.211538|0.500000| |1.419136|1.506774|1.713102|1.818557|2.125306|2.296093|2.750818|3.090857|2.715605|2.275016|4.086913|7.989360|6.284676|6.918211|8.865288|17.518587|8.866495|3.719152|3.253328|5.938298|3.696987|2.585800|2.143122|2.008571|2.102865|1.889200|1.714358|12.278064|2.416280|0.071450|2.215948|2.031565|1.854484|1.822865|1.952029|2.163155|2.290125|0.039852|0.036530|0.039959|0.040769|0.040656|0.048630|0.048822|0.048637|0.048447|0.058990|0.080299|0.078114|0.058202|0.171889|0.207344|0.211941|0.173802|0.303866|0.500000| |1.342406|1.430894|1.609013|1.721557|1.984154|2.197314|2.602279|2.739801|2.361027|2.045574|3.407069|6.607178|4.967120|4.508601|6.784189|8.780824|17.542086|3.169410|2.667425|4.602380|3.187314|2.359399|2.001954|1.834557|1.856011|1.668037|1.551760|11.412428|2.056038|0.059019|1.881160|1.777207|1.628616|1.572951|1.643139|1.796730|1.848350|0.037187|0.034773|0.037998|0.039336|0.038443|0.044753|0.046176|0.047105|0.045596|0.058070|0.079004|0.065334|0.051984|0.111248|0.119944|0.203196|0.169322|0.173009|0.210951|0.500000| |1.293309|1.388108|1.552152|1.681183|1.929224|2.098640|2.451242|2.624438|2.317937|2.011630|3.199518|5.806664|4.966251|4.499104|6.768616|8.771389|17.531612|3.388062|2.871522|4.839166|3.498725|2.665188|2.233448|2.038391|2.045176|1.828430|1.706701|12.655177|2.239685|0.064645|1.989774|1.862138|1.678830|1.609006|1.688574|1.876103|1.939880|0.035833|0.033635|0.036292|0.038179|0.037649|0.043175|0.043977|0.046024|0.045105|0.055127|0.072514|0.065014|0.051618|0.119255|0.111226|0.168321|0.203835|0.210636|0.172977|0.301649|0.500000| |1.233495|1.308047|1.457756|1.551520|1.766629|1.907026|2.208612|2.368800|2.118384|1.847258|2.885071|5.420374|4.349893|4.049848|5.455799|8.772720|17.548418|2.872457|2.543320|4.460386|3.081387|2.271720|1.937299|1.813191|1.851461|1.686578|1.568621|11.393035|2.035068|0.059551|1.842653|1.713050|1.565801|1.526002|1.614859|1.778900|1.870586|0.034361|0.032102|0.034721|0.035806|0.035414|0.040848|0.041452|0.042220|0.041582|0.050204|0.065068|0.059933|0.047766|0.108572|0.108621|0.140111|0.140454|0.212797|0.212888|0.301639|0.301665|0.500000| |1.721822|1.925466|2.231976|2.574982|3.158610|3.302630|3.993447|4.950645|4.522686|3.573808|5.924892|8.196223|12.610357|7.386965|6.453304|4.547710|3.722032|17.560806|8.872478|11.057446|9.340356|7.088695|4.582278|3.753150|3.768530|2.979367|2.642070|20.217418|4.601468|0.124150|3.759721|3.479097|2.875938|2.601042|2.712361|3.197032|3.090372|0.047907|0.044104|0.047246|0.052198|0.053086|0.062646|0.061201|0.068518|0.070565|0.080339|0.106217|0.132082|0.089826|0.209174|0.146729|0.150078|0.220355|0.127279|0.108131|0.095990|0.108703|0.087617|0.500000| |2.030490|2.329668|2.782119|3.359438|4.393241|4.541253|5.592809|7.506847|6.951665|5.161084|7.315203|9.024193|12.482504|5.677902|4.753493|3.499063|2.972714|17.644255|8.876132|10.977943|9.497851|6.585132|4.696374|3.733054|3.715919|2.914487|2.588049|19.954990|4.608673|0.115416|4.139451|4.132826|3.420349|2.979561|2.983528|3.414692|3.087476|0.056275|0.051395|0.055402|0.062894|0.064170|0.077712|0.075475|0.088071|0.091683|0.104544|0.136380|0.188650|0.122923|0.147119|0.128189|0.125570|0.143514|0.094472|0.088735|0.080319|0.084505|0.071557|0.304789|0.500000| |1.549435|1.729732|1.934770|2.222659|2.550445|2.510283|2.752479|3.186515|3.277067|2.879987|3.333949|5.017390|5.692705|3.839339|3.535011|3.042840|2.687317|5.889478|6.594232|8.752141|12.305114|17.511911|8.921315|6.912670|6.232353|4.434373|3.956521|32.547246|6.425725|0.163660|4.363052|3.927341|3.061908|2.704699|2.835404|3.474957|3.335568|0.043224|0.040338|0.041858|0.046942|0.048878|0.054421|0.051787|0.059430|0.063514|0.062826|0.072085|0.098342|0.077803|0.120013|0.089223|0.086172|0.112977|0.090784|0.075030|0.068604|0.080104|0.067502|0.193616|0.150384|0.500000| |1.759062|2.004784|2.281624|2.718069|3.212008|3.176087|3.499637|4.065682|4.153651|3.625971|4.034644|5.807529|6.736075|4.052165|3.710753|3.004799|2.664561|7.832165|7.272758|8.880660|12.459857|17.667802|8.957871|5.650252|4.995850|3.639662|3.297815|27.526662|5.553880|0.131531|4.328310|4.274458|3.338374|2.840569|2.856979|3.372925|3.062347|0.048671|0.045447|0.047491|0.054651|0.056457|0.063409|0.060881|0.072949|0.077423|0.078114|0.089739|0.119534|0.095084|0.117291|0.093523|0.094196|0.118963|0.085346|0.074679|0.070109|0.078762|0.065659|0.240109|0.241719|0.302396|0.500000| |1.563566|1.767542|1.932301|2.256321|2.481336|2.389900|2.483015|2.722988|2.863453|2.714036|2.654088|4.077123|4.126493|2.715399|2.576969|2.262125|2.089989|3.927974|4.175804|6.032201|7.627169|8.930580|17.560206|8.879456|5.718987|4.305652|4.356265|45.308325|4.792688|0.112920|3.789320|3.847009|3.067340|2.601642|2.584132|2.994497|2.724154|0.043216|0.041139|0.041819|0.048498|0.050699|0.053539|0.050967|0.061420|0.066085|0.061037|0.064618|0.082430|0.075025|0.079877|0.066302|0.066419|0.080221|0.065359|0.057232|0.054973|0.062105|0.053275|0.116688|0.114720|0.222462|0.213124|0.500000| |1.804526|2.077673|2.294958|2.751826|3.037289|2.809058|2.851543|3.168357|3.511977|3.418535|2.933666|4.407387|4.455022|2.792450|2.552325|2.199222|1.997682|4.301885|4.770910|6.811299|9.153625|8.828088|17.537132|8.899340|6.286690|4.477339|4.274090|40.277850|5.646368|0.121720|4.820703|5.431301|4.093923|3.243928|3.101006|3.562461|3.029997|0.049983|0.047172|0.047749|0.056517|0.060301|0.063838|0.059399|0.073696|0.082739|0.070346|0.071803|0.101219|0.096650|0.080888|0.069030|0.066761|0.077367|0.062654|0.056603|0.053198|0.058155|0.050775|0.117179|0.132957|0.174437|0.220089|0.302947|0.500000| |1.459780|1.585879|1.717179|1.872825|2.020554|1.871951|1.937898|2.207670|2.467165|2.330053|2.203286|3.497473|3.378564|2.368898|2.089735|1.956959|1.740494|2.851538|3.636262|6.524684|6.007554|3.866581|4.066804|5.727728|8.551819|17.749282|8.940122|37.699635|6.549222|0.186339|5.915336|4.649691|3.852101|3.763158|4.354458|5.602026|5.609810|0.041811|0.038484|0.038698|0.042001|0.046036|0.049994|0.044943|0.048726|0.055374|0.047361|0.049883|0.077346|0.068733|0.073404|0.061861|0.053178|0.059836|0.058384|0.052117|0.045273|0.049220|0.046095|0.077134|0.075309|0.105734|0.088705|0.097514|0.102491|0.500000| |1.320667|1.436509|1.522959|1.666764|1.754731|1.639953|1.671498|1.841012|2.009466|1.951142|1.817864|2.921609|2.735449|1.919306|1.766300|1.664789|1.527991|2.305060|2.710081|4.632960|4.458499|3.271638|3.829650|5.420813|5.679387|8.786276|17.789951|55.258736|4.025257|0.106762|3.647571|3.390682|2.956395|2.773348|2.910913|3.315395|3.189761|0.037413|0.035247|0.034978|0.038573|0.041887|0.043568|0.039875|0.044248|0.049473|0.042278|0.043529|0.060413|0.057069|0.058018|0.049914|0.045553|0.051393|0.049206|0.043995|0.039997|0.043814|0.040635|0.064144|0.062782|0.090938|0.077425|0.099583|0.096996|0.204433|0.500000| |2.107554|2.434678|2.737621|3.249343|3.592048|3.070883|3.047933|3.536485|4.421065|4.468788|3.133200|4.668405|4.600834|2.826214|2.438483|2.112709|1.871703|4.181335|5.254587|8.282394|9.298639|5.589042|6.143375|6.062378|6.391323|4.796096|4.090354|30.569604|7.109294|0.142446|8.936206|17.727612|8.965382|5.672620|4.992530|5.640975|4.066502|0.059751|0.054421|0.054809|0.063900|0.072075|0.079335|0.068799|0.081894|0.101701|0.074527|0.073759|0.136492|0.140524|0.081849|0.072506|0.064239|0.070381|0.059986|0.056012|0.050125|0.052921|0.047948|0.102705|0.125663|0.120803|0.139695|0.128556|0.208564|0.118434|0.094681|0.500000| |2.530404|2.924113|3.207192|3.632292|3.677222|2.959804|2.779717|3.095083|3.953183|4.515196|2.665263|4.132953|3.663423|2.305937|2.006997|1.776513|1.590090|3.006186|3.496494|6.127587|5.199501|3.278041|3.460848|3.532163|3.777943|3.398513|3.035721|21.313717|4.097254|0.096305|5.619644|8.922020|17.710445|8.894058|5.653295|4.917063|3.536182|0.073589|0.065327|0.063705|0.073896|0.090598|0.096787|0.077149|0.087763|0.120810|0.072868|0.066930|0.117680|0.162696|0.065251|0.061729|0.054125|0.056367|0.049830|0.048225|0.043165|0.044302|0.041207|0.073972|0.089338|0.077960|0.087146|0.081800|0.110262|0.091424|0.075734|0.216375|0.500000| |2.364260|2.557592|2.780812|2.872983|2.942117|2.472011|2.390525|2.688650|3.335363|3.564265|2.423931|3.877324|3.319052|2.174641|1.870495|1.697681|1.508305|2.580579|3.038580|5.783851|4.249613|2.617035|2.630425|2.792365|3.161181|3.057127|2.670883|17.476927|3.530267|0.090267|4.930668|5.656737|8.898556|17.712207|8.925622|5.612588|4.108663|0.071440|0.061118|0.060097|0.063534|0.077295|0.087595|0.068902|0.069567|0.089006|0.061496|0.058731|0.103408|0.121410|0.062112|0.060035|0.050283|0.051359|0.047890|0.046967|0.040845|0.041442|0.039570|0.063881|0.072899|0.065342|0.068846|0.063800|0.078011|0.088647|0.068880|0.124423|0.213593|0.500000| |1.924866|2.043165|2.254481|2.329804|2.503419|2.215450|2.249534|2.608268|3.126262|3.033868|2.500043|4.027985|3.549249|2.415041|2.031114|1.877868|1.638412|2.718939|3.358842|6.894487|4.568626|2.705185|2.607256|2.859635|3.453616|3.452063|2.857824|17.703846|4.058976|0.112609|5.652713|4.991006|5.668041|8.959722|17.708288|8.936627|7.136263|0.057521|0.049787|0.050448|0.051822|0.059514|0.069781|0.058189|0.057670|0.068909|0.055028|0.056304|0.102176|0.095347|0.071169|0.067427|0.053502|0.055126|0.053935|0.052346|0.043772|0.044682|0.043302|0.067742|0.073022|0.069632|0.069349|0.063164|0.073496|0.107520|0.073788|0.108182|0.124342|0.216368|0.500000| |1.659820|1.783149|2.012017|2.150201|2.445520|2.288293|2.478225|3.017981|3.421856|2.963159|3.179432|5.018710|4.998873|3.596040|2.849377|2.648646|2.201882|3.875885|5.402372|13.139852|6.793451|3.687369|3.195550|3.500319|4.530854|4.213178|3.250751|20.171477|6.317405|0.229114|6.641183|4.571151|3.963009|4.308399|5.924331|8.856333|17.592154|0.048261|0.042776|0.044602|0.046416|0.050548|0.060220|0.053566|0.054479|0.061537|0.056296|0.063196|0.117590|0.085456|0.116248|0.098212|0.071229|0.076891|0.079300|0.073016|0.057036|0.059884|0.057900|0.097425|0.094614|0.099447|0.090823|0.076600|0.083916|0.131638|0.080650|0.107458|0.090254|0.099999|0.154690|0.500000| |1.539085|1.651620|1.822332|1.948969|2.150773|1.998464|2.111272|2.478379|2.795036|2.543604|2.539672|4.053127|3.917069|2.808270|2.360270|2.227872|1.916971|3.142383|4.183074|8.630957|6.011672|3.481262|3.238580|3.843603|5.268251|5.647144|4.093834|23.153854|6.299357|0.223108|6.542299|4.517413|3.925977|4.278312|5.894525|8.766268|17.537111|0.044642|0.040125|0.041072|0.043198|0.047376|0.054102|0.048115|0.049873|0.056647|0.049933|0.054167|0.091613|0.074710|0.088966|0.075499|0.059566|0.065283|0.066874|0.060697|0.049703|0.052937|0.050903|0.082053|0.079691|0.095030|0.083369|0.077912|0.084081|0.204420|0.102393|0.106313|0.089540|0.099499|0.154674|0.301481|0.500000| 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