Version2.0 2020-01-14T08:13:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 15-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc2c(c1)c(ccn2)[C@H]([C@H]3C[C@@H]4CC[NH+]3C[C@@H]4C=C)OC(=O)C56CC7CC(C5)CC(C7)C6 C08863598 RHF 6-31G(d) (6D,7F) COc1ccc2c(c1)c(ccn2)[C@H]([C@H]3C[C@@H]4CC[NH+]3C[C@@H]4C=C)OC(=O)C56CC7CC(C5)CC(C7)C6 C01[X(C31H39N2O3)] 219 C1 618 C=C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2[C@@H](c1ccnc2c1cc(OC)cc2)OC(=O)C12CC3CC(C2)CC(C1)C3 C=C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2[C@@H](c1ccnc2c1cc(OC)cc2)OC(=O)C12CC3CC(C2)CC(C1)C3 COc1ccc2nccc([C@@H](OC(=O)C34CC5CC(CC(C5)C3)C4)[C@H]6C[C@@H]7CC[NH+]6C[C@@H]7C=C)c2c1 InChIKey=NSNOOXWSDJFPSY-FOGRALKUSA-O InChI=1S/C31H38N2O3/c1-3-22-18-33-9-7-23(22)13-28(33)29(25-6-8-32-27-5-4-24(35-2)14-26(25)27)36-30(34)31-15-19-10-20(16-31)12-21(11-19)17-31/h3-6,8,14,19-23,28-29H,1,7,9-13,15-18H2,2H3/p+1/t19?,20?,21?,22-,23-,28+,29+,31?/m0/s1 InChI=1/C31H38N2O3/c1-3-22-18-33-9-7-23(22)13-28(33)29(25-6-8-32-27-5-4-24(35-2)14-26(25)27)36-30(34)31-15-19-10-20(16-31)12-21(11-19)17-31/h3-6,8,14,19-23,28-29H,1,7,9-13,15-18H2,2H3/p+1/t19?,20?,21?,22-,23-,28+,29+,31?/m0/s1/fC31H39N2O3/h33H/q+1 COc1ccc2c(c1)c(ccn2)[C@H]([C@H]3C[C@@H]4CC[NH+]3C[C@@H]4C=C)OC(=O)C56CC7CC(C5)CC(C7)C6 C01[X(C31H39N2O3)] 219 C01 618 C=C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2[C@@H](c1ccnc2c1cc(OC)cc2)OC(=O)C12CC3CC(C2)CC(C1)C3 C=C[C@H]1C[N@@H]2CC[C@H]1C[C@@H]2[C@@H](c1ccnc2c1cc(OC)cc2)OC(=O)[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3 COc1ccc2nccc([C@@H](OC(=O)C34CC5CC(CC(C5)C3)C4)[C@H]6C[C@@H]7CC[N@H]6C[C@@H]7C=C)c2c1 InChIKey=JTCIGDSHSCPZGZ-RNLGXCNLSA-N InChI=1S/C31H39N2O3/c1-3-22-18-33-9-7-23(22)13-28(33)29(25-6-8-32-27-5-4-24(35-2)14-26(25)27)36-30(34)31-15-19-10-20(16-31)12-21(11-19)17-31/h3-6,8,14,19-23,28-29,33H,1,7,9-13,15-18H2,2H3/t19-,20+,21-,22-,23-,28+,29+,31-/m0/s1 InChI=1/C31H39N2O3/c1-3-22-18-33-9-7-23(22)13-28(33)29(25-6-8-32-27-5-4-24(35-2)14-26(25)27)36-30(34)31-15-19-10-20(16-31)12-21(11-19)17-31/h3-6,8,14,19-23,28-29,33H,1,7,9-13,15-18H2,2H3/t19-,20+,21-,22-,23-,28+,29+,31-/m0/s1 4114.4808217110 -1529.9456837 1-A 18837.6482 131 487 618 |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| -20.73415 -20.68025 -20.67874 -15.81346 -15.65671 -11.50191 -11.44431 -11.43283 -11.42256 -11.41727 -11.39883 -11.36961 -11.36819 -11.36647 -11.36454 -11.36281 -11.36237 -11.36130 -11.35848 -11.35276 -11.34284 -11.34238 -11.33918 -11.32917 -11.32899 -11.32647 -11.32271 -11.31412 -11.31015 -11.30325 -11.30160 -11.30121 -11.29811 -11.28963 -11.28839 -11.28683 -1.60295 -1.50847 -1.49535 -1.47206 -1.36313 -1.26173 -1.25272 -1.24800 -1.23114 -1.20069 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1877.78 1897.23 1900.63 1903.26 1945.60 1958.41 1963.42 1983.64 2005.09 2016.67 2021.21 2029.78 2039.68 2054.70 2056.59 2080.55 2086.77 2090.96 2092.23 2093.40 2096.22 2106.90 2112.97 2135.45 2136.55 2138.91 2138.96 2142.67 2157.20 2159.93 2176.38 2186.88 2190.17 2190.54 2192.43 2199.12 2210.90 2211.66 2219.25 2235.89 2246.32 2281.04 2308.23 2313.95 2340.66 2348.01 2350.74 2361.17 2364.36 2367.45 2370.37 2370.67 2373.80 2377.00 2379.38 2382.69 2385.21 2405.98 2409.70 2430.25 2564.85 2611.92 2636.39 2700.96 2776.97 4590.14 4602.25 4603.19 4604.79 4608.17 4627.03 4636.54 4644.15 4649.19 4652.84 4656.53 4657.35 4659.46 4667.66 4671.84 4678.83 4689.36 4691.75 4704.01 4714.67 4722.75 4729.58 4734.09 4737.73 4738.09 4773.34 4794.77 4795.89 4802.44 4811.02 4812.83 4820.69 4850.76 4890.41 4894.89 4896.99 4923.60 4927.26 5178.66 0.709444 0.737514 0.738458 0.648246 -1529.236240 -1529.208169 -1529.207225 -1529.297438 3.025759D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2020 DUDE COc1ccc2c(c1)c(ccn2)[C@H]([C@H]3C[C@@H]4CC[NH+]3C[C@@H]4C=C)OC(=O)C56CC7CC(C5)CC(C7)C6 C08863598 RHF 6-31G(d) (6D,10F) C1 487.296068 |X|Y|Z| 70.878768 108.204664 45.886347 70.601708 31 6 7 8 28 2 1 |36.858105| |13.534534|73.516695| |7.974686|25.242972|36.858105| |6.695902|13.929030|13.432473|36.858105| |4.535527|9.288436|7.938046|14.031669|36.858105| |3.775992|8.180355|6.803782|7.869898|13.453396|36.858105| |3.960186|9.356643|7.856189|6.777935|7.823575|13.509249|36.858105| |5.277798|14.709632|13.941226|7.897304|6.867846|7.839209|13.448914|36.858105| |3.117411|7.017451|5.065267|4.494163|5.123007|7.883423|13.316728|7.548233|36.858105| |2.643524|5.642557|3.952280|3.822369|4.616928|7.028817|7.945765|5.110159|14.016972|36.858105| |2.621209|5.425728|3.858565|4.063317|5.370448|8.390325|6.939182|4.582693|7.932877|13.447628|36.858105| |2.996653|6.166442|4.589003|5.257425|8.042829|14.080374|7.829123|5.154972|6.805664|8.003511|14.787019|53.358707| |2.908186|6.559929|4.321447|3.629570|3.801880|4.967967|7.391470|6.262116|12.532996|7.643944|5.013814|6.004467|36.858105| |3.238982|7.547690|4.818633|3.803844|3.779488|4.675033|7.087367|7.228073|8.867662|5.679185|4.200966|5.373029|17.695254|0.500000| |2.633114|5.790608|3.672031|3.156117|3.276885|4.080311|5.426667|4.888585|7.530091|5.935419|4.255315|5.118006|12.340791|0.243611|36.858105| |2.322957|4.963711|3.145708|2.814355|2.994077|3.735283|4.634230|4.007558|6.572271|6.109509|4.328053|4.964975|9.005107|0.177045|17.617467|0.500000| |2.818712|6.196605|3.955848|3.433033|3.541215|4.299984|5.487129|5.078259|6.420821|5.229229|4.163398|5.281179|7.230189|0.172169|12.339545|0.244723|36.858105| |2.550531|5.427894|3.255896|2.846843|2.846770|3.242171|3.887456|3.876578|4.268007|3.702184|3.130271|4.049394|4.936444|0.128940|7.599829|0.175899|12.388458|36.858105| |2.501076|5.210115|3.111917|2.790127|2.789626|3.100345|3.560165|3.553546|3.744100|3.350200|2.959379|3.902583|4.028193|0.106045|5.532881|0.136961|8.812239|17.613643|0.500000| |2.142201|4.450127|2.656275|2.377984|2.416962|2.762596|3.227347|3.124103|3.707734|3.407617|2.860661|3.587744|4.412550|0.111886|6.848116|0.188675|7.607356|12.394210|0.244491|36.858105| |2.116565|4.428699|2.623774|2.311506|2.336984|2.691684|3.222698|3.144574|3.826622|3.454477|2.808838|3.480352|5.016368|0.128674|7.763522|0.214436|6.331082|7.629195|0.153705|12.355859|36.858105| |2.466915|5.340205|3.190886|2.710768|2.713506|3.183172|4.048604|4.024044|4.935040|4.095165|3.196155|3.980746|7.513980|0.199197|12.574552|0.254825|7.779111|7.548878|0.146785|7.746624|12.713726|53.358707| |2.379661|5.119009|3.037570|2.584230|2.585286|3.025182|3.831000|3.813765|4.711846|3.951077|3.072680|3.806098|7.458470|0.206964|9.215650|0.214509|5.743665|5.387600|0.114604|5.682813|9.137316|25.592747|0.500000| |2.771297|6.083030|3.470998|2.846314|2.734706|3.083479|3.923128|4.276942|4.303019|3.475006|2.856080|3.722787|5.874101|0.182068|7.605931|0.156789|6.883997|7.694880|0.154613|6.366842|7.756880|17.253824|0.259014|36.858105| |2.739310|5.883551|3.348215|2.815252|2.701589|2.982674|3.636687|3.931159|3.820623|3.201285|2.734483|3.622290|4.606090|0.132947|6.191025|0.137030|7.561378|12.331274|0.244190|7.646960|6.812397|10.437748|0.158325|12.341199|36.858105| |2.429163|5.055964|2.832971|2.437586|2.345109|2.552786|3.015832|3.221557|3.174092|2.756361|2.393494|3.161685|3.765912|0.107776|4.888183|0.116672|5.550462|8.886143|0.206044|7.404060|6.596248|8.569091|0.138936|8.849295|17.561250|0.500000| |3.254222|7.028866|3.822071|3.141020|2.893357|3.064938|3.682720|4.259213|3.571056|2.963021|2.626166|3.613730|4.001315|0.120115|4.716818|0.106650|5.951947|7.412578|0.194287|4.935449|4.447421|6.955876|0.117815|7.567670|12.637221|0.251218|36.858105| |3.043882|6.222445|3.260852|2.761573|2.521774|2.594320|2.992004|3.435027|2.874245|2.464889|2.240563|3.106429|3.143538|0.093818|3.577799|0.085129|4.275622|5.277903|0.150099|4.004714|3.631057|5.328222|0.094646|5.356627|7.636496|0.205915|14.451644|36.858105| |2.480955|5.361821|3.431264|3.016609|3.200805|4.062731|5.285729|4.524300|8.066011|6.886334|4.610289|5.285020|13.342190|0.260273|7.825241|0.215090|4.984271|3.862503|0.090212|3.795984|4.542899|8.307842|0.193904|4.599715|3.640843|0.087789|3.157485|2.605715|73.516695| |2.321617|4.941364|3.026989|2.642110|2.719332|3.266078|4.087118|3.818570|5.323151|4.665498|3.513871|4.215691|7.932673|0.210176|5.943118|0.160959|4.056311|3.434986|0.080545|3.476627|4.392795|7.890182|0.210085|4.509235|3.425114|0.085064|2.963367|2.499049|25.447443|36.858105| |2.369529|5.064760|3.005171|2.564459|2.567315|2.998354|3.774750|3.754063|4.613463|3.902592|3.051020|3.780576|7.016606|0.213140|5.930455|0.150147|4.111898|3.659126|0.084392|3.700407|4.918685|9.361715|0.287263|5.500211|3.863446|0.096505|3.279620|2.758052|15.363609|15.873078|73.516695| |2.051146|4.236730|2.579785|2.327888|2.420308|2.851344|3.352637|3.104615|4.152345|3.980611|3.179443|3.805136|5.131649|0.136070|4.152773|0.118669|3.130401|2.728253|0.066183|2.805629|3.401343|5.491618|0.135424|3.334322|2.698113|0.068872|2.399276|2.086704|14.233884|12.589974|14.013284|36.858105| |1.883237|3.826977|2.261414|2.037475|2.075730|2.364609|2.733581|2.639874|3.199400|3.033638|2.536091|3.127297|3.893657|0.108963|3.394958|0.095430|2.670816|2.438664|0.059640|2.538181|3.106312|4.838353|0.120291|3.066536|2.483952|0.064964|2.219210|1.970508|9.149433|7.621668|12.199365|12.368740|36.858105| |1.686578|3.360207|1.983800|1.827154|1.873506|2.106018|2.354641|2.257980|2.693185|2.642086|2.289574|2.835286|3.077324|0.085030|2.729381|0.077780|2.239370|2.058788|0.051365|2.142852|2.529007|3.793844|0.089791|2.461256|2.074482|0.054775|1.886281|1.701565|6.925248|4.943889|7.882724|7.575040|12.402264|36.858105| |1.743664|3.452678|2.046969|1.902061|1.954766|2.183429|2.408794|2.306265|2.699395|2.656769|2.349909|2.941622|2.964231|0.082725|2.545103|0.071540|2.129312|1.929739|0.048592|1.962230|2.255566|3.433599|0.079467|2.278493|1.943409|0.050864|1.805135|1.631466|6.543935|4.403457|6.877216|6.459876|7.594763|12.403591|36.858105| |1.872574|3.740408|2.271365|2.129513|2.231951|2.545957|2.796732|2.593466|3.196832|3.220961|2.830594|3.480427|3.407503|0.092719|2.817480|0.079801|2.338348|2.061630|0.051884|2.075987|2.358516|3.640097|0.083278|2.379022|2.038596|0.052619|1.896003|1.693884|7.807027|4.948831|7.145776|7.562661|6.469688|7.595480|12.406215|36.858105| |2.155310|4.423492|2.721888|2.488569|2.603697|3.052775|3.512581|3.230869|4.171184|4.030369|3.348376|4.075825|4.642634|0.126859|3.570223|0.099263|2.844766|2.443555|0.060465|2.428725|2.804251|4.529620|0.105778|2.911033|2.422828|0.061438|2.235245|1.958613|11.560324|7.636047|9.885627|12.291510|7.557448|6.460178|7.585426|12.394609|36.858105| |1.709802|3.396336|2.078567|1.980726|2.111388|2.427660|2.613182|2.366352|3.045332|3.229422|2.861589|3.426508|3.188133|0.083394|2.738165|0.080299|2.283783|2.018002|0.051056|2.070079|2.331845|3.490341|0.078670|2.234342|1.951069|0.050657|1.796270|1.607265|7.336705|4.398508|6.319665|6.457811|5.367360|6.477875|7.590086|12.401866|7.596202|36.858105| |1.655536|3.307408|2.011928|1.895983|2.009331|2.321576|2.543318|2.313463|3.034690|3.201004|2.753023|3.260054|3.328241|0.085718|2.970280|0.089394|2.420228|2.166312|0.054287|2.284881|2.637089|3.869357|0.088612|2.405199|2.083255|0.054505|1.875727|1.673833|7.880270|4.933372|7.070132|7.562979|6.469959|7.597375|6.474472|7.589019|6.460950|12.400477|36.858105| |1.564414|3.103402|1.850954|1.730096|1.799952|2.036875|2.241109|2.102642|2.599565|2.645486|2.304927|2.804894|2.911510|0.077635|2.655977|0.078204|2.190541|2.014740|0.050548|2.135718|2.495407|3.623883|0.084058|2.301395|1.981944|0.052560|1.787577|1.613500|6.586573|4.392226|6.809253|6.459148|7.593501|12.405285|7.588433|6.472973|5.358005|7.588854|12.407075|36.858105| |1.840403|3.749799|2.304017|2.135199|2.266817|2.685487|3.044631|2.730816|3.828360|3.992164|3.222063|3.732927|4.448044|0.110452|3.899747|0.120002|2.997041|2.624524|0.064388|2.785759|3.314430|4.998913|0.117483|2.959782|2.499298|0.064515|2.202203|1.927745|11.807745|7.582230|9.688960|12.303518|7.559247|6.461987|5.360439|6.464292|7.558553|7.598812|12.393120|7.583979|36.858105| |17.583686|16.407268|7.058217|6.716596|4.622303|3.753154|3.804006|4.828789|3.004269|2.591661|2.610191|4.098889|2.761161|0.084668|2.454299|0.060968|2.571421|2.306653|0.062577|1.976026|1.968962|3.110239|0.061983|2.504917|2.438515|0.060553|2.799324|2.614322|4.283882|2.259874|4.046105|2.031723|1.863495|1.686283|1.766557|1.906153|2.176243|1.731974|1.655790|1.561783|1.822694|0.500000| |17.662980|16.985152|5.880358|4.890600|3.633324|3.176219|3.400208|4.440732|2.796743|2.384332|2.330605|3.536656|2.701567|0.084375|2.480845|0.060851|2.630693|2.445887|0.066493|2.071242|2.061470|3.252999|0.064388|2.732868|2.693530|0.067250|3.231360|3.110479|4.147595|2.227656|4.106017|1.972832|1.841357|1.648845|1.697063|1.796655|2.055769|1.634745|1.591229|1.520770|1.762020|0.300145|0.500000| |17.580287|16.400276|6.937302|6.684296|4.576330|3.697884|3.734900|4.726894|2.954667|2.553232|2.575339|4.047453|2.719777|0.082103|2.525976|0.062398|2.778187|2.535130|0.070474|2.116952|2.051331|3.198923|0.062226|2.626364|2.678981|0.066292|3.218360|3.053927|4.120800|2.150342|3.884692|1.906036|1.747758|1.573500|1.617908|1.739405|1.985638|1.610032|1.565924|1.475494|1.737614|0.298484|0.300245|0.500000| |7.446000|12.485619|8.777293|17.773464|9.047261|5.621548|4.906755|5.630526|3.587364|3.163365|3.387645|5.796005|3.023704|0.088104|2.699493|0.067746|2.935745|2.526021|0.069694|2.136000|2.070124|3.242035|0.063326|2.521378|2.523679|0.061785|2.846037|2.580954|4.595638|2.315083|4.027497|2.073900|1.846547|1.674743|1.747052|1.933992|2.215923|1.802711|1.723129|1.586936|1.912714|0.220989|0.145708|0.226017|0.500000| |3.909422|7.454835|5.628142|8.983312|17.747139|8.922248|5.615374|4.951953|4.186394|4.045916|4.967489|10.170564|3.209672|0.087493|2.840758|0.073868|3.061920|2.527788|0.069718|2.189002|2.104995|3.249524|0.063420|2.387080|2.381940|0.058409|2.533338|2.253486|4.982903|2.412430|4.037523|2.196464|1.899972|1.741467|1.823364|2.078557|2.368607|1.990521|1.884683|1.688235|2.092077|0.113197|0.088986|0.112608|0.216731|0.500000| |4.933944|13.776649|9.150770|5.661708|4.954986|5.572536|8.722583|17.763499|6.764039|4.583940|3.916705|5.634063|6.911214|0.259757|5.369351|0.117105|5.305411|4.178874|0.102910|3.350357|3.480587|6.363247|0.124135|5.249879|4.516516|0.100954|4.877429|3.826440|8.617451|4.252839|7.792218|3.324607|2.865457|2.393879|2.412349|2.663781|3.369880|2.398431|2.379490|2.195092|2.841315|0.122646|0.123152|0.119831|0.124710|0.107599|0.500000| |2.327383|4.883754|3.279865|3.150446|3.665591|5.037324|5.622291|4.109958|8.967959|17.743025|8.849783|7.799941|7.052247|0.143004|5.934480|0.190181|4.867568|3.596252|0.089514|3.501685|3.635034|5.683799|0.114010|3.379261|3.080364|0.075032|2.767027|2.323945|13.427807|5.033805|7.222351|4.404792|3.270747|2.851391|2.810415|3.432120|4.256835|3.587149|3.670548|2.936848|4.743294|0.063389|0.059308|0.062472|0.074631|0.092077|0.107888|0.500000| |2.301231|4.643662|3.187550|3.389961|4.339354|5.880837|4.985474|3.640996|5.654529|8.819204|17.707126|12.824917|4.095922|0.096730|3.650882|0.106884|3.563568|2.799109|0.074364|2.634993|2.579856|3.867652|0.076392|2.526477|2.439566|0.060411|2.328756|2.020409|7.089850|3.151273|4.866061|2.958582|2.387689|2.201853|2.259430|2.722049|3.104725|2.840297|2.726779|2.262114|3.112272|0.063994|0.057472|0.063228|0.081480|0.118229|0.089221|0.214498|0.500000| |2.621389|5.613342|3.656481|3.347131|3.600080|4.451063|5.268659|4.524523|6.239221|5.702328|4.668525|5.770014|6.093027|0.139489|8.858336|0.228990|17.608773|8.763979|0.217286|6.655274|5.288805|7.862251|0.128549|4.983189|5.501624|0.123671|4.666407|3.615754|8.128520|3.654699|6.329531|2.942232|2.490955|2.133104|2.040265|2.264258|2.708648|2.255920|2.382362|2.125369|2.919318|0.067324|0.067315|0.072840|0.079850|0.088242|0.123308|0.148211|0.112280|0.500000| |3.343697|7.642316|5.007941|4.167610|4.184133|5.029174|6.753741|6.663440|6.874969|5.164628|4.276452|5.748092|7.019828|0.183321|8.730205|0.176032|17.625664|8.792196|0.206013|5.531203|4.904583|8.514512|0.138690|6.477319|7.102573|0.142041|6.723658|4.652169|8.277076|3.825005|6.917466|2.982731|2.556931|2.157200|2.088888|2.299516|2.805647|2.207904|2.288183|2.080342|2.785316|0.083144|0.085268|0.091605|0.096615|0.097175|0.190100|0.125190|0.098863|0.305203|0.500000| |2.029906|4.180829|2.539437|2.326062|2.416384|2.794598|3.189033|2.974760|3.736342|3.603433|3.037717|3.732303|4.252656|0.103695|6.421789|0.200679|7.092016|8.785292|0.207035|17.574681|8.764206|8.422610|0.135842|4.900869|5.531080|0.146055|4.048526|3.372941|6.689159|3.354081|6.086518|2.771252|2.468443|2.114417|1.941485|2.076730|2.408925|2.109095|2.335596|2.147920|2.844861|0.052512|0.054042|0.056032|0.058010|0.061410|0.086142|0.105271|0.078926|0.201501|0.141929|0.500000| |1.993947|4.069295|2.383973|2.151549|2.166353|2.418959|2.763630|2.725241|3.074449|2.859306|2.474449|3.149416|3.558115|0.093104|4.968918|0.136883|5.516740|8.768799|0.215531|17.595009|8.819245|7.882747|0.128300|5.360281|6.783993|0.214825|4.631869|4.014240|5.604629|2.976067|5.683150|2.474805|2.297565|1.967885|1.800511|1.880256|2.160853|1.875991|2.067115|1.962494|2.460911|0.051046|0.054082|0.055029|0.054477|0.055077|0.080988|0.081329|0.064130|0.139615|0.123161|0.303710|0.500000| |1.958072|4.057270|2.427944|2.175845|2.234019|2.595364|3.056863|2.898893|3.727871|3.513615|2.835601|3.436665|4.821489|0.119082|6.963308|0.227231|5.334697|5.695070|0.124759|8.652179|17.631072|12.362354|0.226552|5.653399|4.952598|0.133617|3.585204|3.016341|8.458456|4.635711|8.811879|3.682507|3.334939|2.720007|2.381886|2.496552|2.944871|2.521922|2.933309|2.751926|3.755693|0.051224|0.052773|0.052688|0.054218|0.056401|0.087426|0.106999|0.073524|0.133945|0.116903|0.224382|0.188159|0.500000| |2.023867|4.186588|2.423231|2.130572|2.123381|2.393074|2.830378|2.840053|3.243416|2.927782|2.443515|3.078686|4.150911|0.112293|5.644399|0.151083|4.905910|6.129378|0.132849|8.671125|17.628832|12.419211|0.217317|7.406139|6.459138|0.196228|4.310635|3.674916|6.860101|3.940935|8.171471|3.142981|3.002787|2.454931|2.172672|2.221673|2.601564|2.177816|2.461734|2.395508|3.015110|0.052233|0.055489|0.054356|0.053630|0.053405|0.088189|0.084710|0.062778|0.115666|0.113960|0.176560|0.225630|0.302247|0.500000| |3.217630|7.368300|4.172216|3.263079|3.067815|3.454903|4.586016|5.346747|4.841233|3.702757|3.038597|4.032482|6.668358|0.237484|7.229444|0.144760|6.523794|6.194032|0.134208|4.926994|5.649909|12.370220|0.220768|17.657173|8.687493|0.176497|7.379339|5.181175|8.730844|4.760439|10.262970|3.470098|3.145741|2.517354|2.380047|2.508102|3.127627|2.307570|2.431355|2.314098|2.982114|0.080120|0.087829|0.082892|0.079149|0.072921|0.200092|0.096952|0.073311|0.132798|0.193161|0.113755|0.116900|0.126936|0.147263|0.500000| |2.550318|5.451221|3.028309|2.517517|2.405642|2.662071|3.285214|3.591863|3.561328|2.975176|2.492860|3.255921|4.709621|0.146977|5.598361|0.127335|4.989244|5.710077|0.124833|5.347567|6.904840|12.377838|0.233208|17.633956|8.660938|0.226164|6.155691|4.959958|7.175735|4.228782|9.603521|3.224488|3.103806|2.484034|2.269597|2.312710|2.786082|2.160061|2.341902|2.297099|2.837903|0.064500|0.071203|0.066824|0.063031|0.059105|0.120895|0.081608|0.062240|0.109044|0.131765|0.116717|0.135423|0.145821|0.216488|0.303554|0.500000| |3.908755|8.888262|4.851062|3.815458|3.425660|3.600362|4.423088|5.421868|4.062965|3.264536|2.910463|4.093844|4.381449|0.134026|4.871576|0.107979|6.297615|6.515651|0.171838|4.363379|4.006397|6.584249|0.113855|6.668753|8.595290|0.172737|17.664595|9.202233|5.930278|3.058670|5.900240|2.469227|2.246927|1.913136|1.856391|1.973664|2.347412|1.857696|1.914070|1.806508|2.248725|0.091199|0.105338|0.107239|0.094206|0.081374|0.172873|0.082328|0.070393|0.137261|0.227959|0.104335|0.109867|0.092805|0.104530|0.208693|0.146865|0.500000| |3.315443|6.583309|3.336850|2.843114|2.541704|2.544570|2.877715|3.360980|2.686694|2.316084|2.145964|3.025847|2.853196|0.085525|3.122455|0.075197|3.689677|4.238319|0.122833|3.314909|3.041953|4.493189|0.081878|4.296854|5.479246|0.145273|9.116831|17.730370|4.242680|2.286692|4.430987|1.938784|1.833696|1.600268|1.550770|1.611224|1.850373|1.524003|1.570614|1.514436|1.789414|0.077677|0.095669|0.093925|0.075203|0.063361|0.102019|0.060139|0.053820|0.089364|0.114475|0.080356|0.091765|0.072274|0.084875|0.121495|0.111832|0.220230|0.500000| |2.610013|5.222988|2.766860|2.394383|2.222244|2.298580|2.619878|2.925611|2.576476|2.254339|2.048811|2.807460|2.847349|0.083864|3.284201|0.080108|3.801595|4.887357|0.139363|3.997224|3.628156|5.055240|0.090593|4.936373|6.920801|0.222884|9.072501|17.696956|4.313199|2.361531|4.658893|1.992301|1.906462|1.652479|1.570722|1.616149|1.851071|1.542031|1.618882|1.573204|1.855251|0.063544|0.074439|0.072589|0.062586|0.055865|0.089905|0.059999|0.051939|0.091034|0.109216|0.092601|0.117008|0.083628|0.105744|0.125508|0.134842|0.173752|0.289426|0.500000| |1.801342|3.654952|2.146731|1.932106|1.963686|2.231036|2.579037|2.500960|3.027373|2.875393|2.400247|2.955077|3.752099|0.103921|3.462466|0.098612|2.710760|2.533109|0.061591|2.707289|3.409193|5.152131|0.130444|3.204078|2.584590|0.068535|2.263566|2.014835|8.558059|6.971019|12.356878|8.794873|17.540808|8.793898|5.508460|4.840514|5.490288|4.444131|5.715016|6.916852|6.890957|0.049082|0.049138|0.046749|0.048780|0.050019|0.075820|0.086894|0.063039|0.069951|0.070874|0.072769|0.068440|0.103650|0.093026|0.088594|0.091793|0.062664|0.051615|0.054723|0.500000| |1.988851|4.048988|2.357078|2.095288|2.100391|2.362707|2.755368|2.738702|3.137236|2.886093|2.435699|3.064712|3.831975|0.112644|3.294733|0.089478|2.631004|2.417017|0.059149|2.465772|3.002091|4.785326|0.119180|3.162119|2.526049|0.065959|2.288727|2.039430|8.496614|7.006427|12.651596|8.801236|17.560475|8.791402|6.915426|5.714835|6.892952|4.444640|4.841767|5.508341|5.494131|0.054678|0.054436|0.050771|0.052874|0.053107|0.083984|0.083927|0.062998|0.067231|0.071193|0.065593|0.062339|0.086777|0.081840|0.091992|0.090246|0.064554|0.052918|0.054636|0.303754|0.500000| |1.595138|3.151509|1.836769|1.691060|1.718316|1.905536|2.119928|2.064644|2.380708|2.318462|2.035583|2.552041|2.712899|0.075979|2.461989|0.069627|2.055640|1.924542|0.048256|2.008369|2.364751|3.495923|0.082240|2.313046|1.961325|0.052356|1.790789|1.632968|5.855458|4.107443|6.969419|5.517937|8.872070|17.548913|8.823182|5.516096|4.849856|4.851832|5.516788|8.823436|4.850393|0.044241|0.043659|0.041371|0.043394|0.044512|0.061057|0.068744|0.054460|0.054233|0.055137|0.054697|0.051863|0.070105|0.064926|0.065328|0.065898|0.050103|0.042734|0.044340|0.213866|0.213772|0.500000| |1.603916|3.136912|1.853930|1.743872|1.795600|1.984438|2.149666|2.057546|2.377584|2.373233|2.144186|2.698136|2.556248|0.070943|2.240130|0.063312|1.911069|1.746469|0.044386|1.780435|2.019356|3.017719|0.068733|2.019294|1.752315|0.046166|1.637117|1.492671|5.488155|3.547780|5.655666|4.834462|5.509619|8.800505|17.535268|8.808389|5.507284|6.917279|5.721952|6.914951|4.441565|0.045298|0.043421|0.041556|0.044871|0.047005|0.059219|0.069667|0.058009|0.051301|0.052102|0.049177|0.045750|0.059257|0.054260|0.058218|0.055966|0.046664|0.039579|0.040062|0.123155|0.141331|0.212503|0.500000| |1.823685|3.605900|2.112988|1.946054|1.972763|2.178377|2.417969|2.365360|2.654047|2.549980|2.265836|2.885511|2.924802|0.083943|2.491783|0.068652|2.101648|1.912180|0.048171|1.921054|2.205170|3.398654|0.078729|2.306860|1.956061|0.051148|1.835852|1.664800|6.263772|4.248710|6.909975|5.708248|6.916734|8.792138|17.521307|8.791942|6.908558|5.504830|4.840936|5.504718|4.436714|0.051474|0.049597|0.046616|0.049803|0.050892|0.069354|0.073355|0.059847|0.055407|0.057927|0.052264|0.049116|0.063649|0.059489|0.067754|0.064278|0.052587|0.044132|0.044417|0.141355|0.207149|0.213000|0.303225|0.500000| |1.891171|3.740303|2.273877|2.158546|2.265598|2.550693|2.744734|2.552660|3.042750|3.072943|2.788933|3.492082|3.122366|0.085864|2.574917|0.072152|2.190700|1.928656|0.049000|1.916578|2.137735|3.295913|0.074065|2.199298|1.910255|0.049242|1.805102|1.621425|6.809664|4.112450|6.136622|5.509929|4.854288|5.514247|8.817379|17.548001|8.876340|8.820702|5.512762|4.849195|4.853211|0.054105|0.050244|0.048693|0.054757|0.059029|0.071816|0.088682|0.074713|0.059218|0.060656|0.053276|0.048435|0.062087|0.056040|0.064970|0.059189|0.052574|0.043199|0.042815|0.106742|0.127956|0.123432|0.212600|0.212778|0.500000| |2.323765|4.789528|2.903610|2.605861|2.663855|3.062448|3.574655|3.429665|4.052191|3.717130|3.140325|3.957597|4.547163|0.133009|3.453082|0.092567|2.797125|2.419990|0.059925|2.361800|2.720941|4.477485|0.104731|2.987597|2.459139|0.062185|2.305169|2.024989|10.340947|7.005788|10.081373|8.763201|6.897347|5.714312|6.921527|8.798130|17.515292|5.509402|4.837296|4.441165|5.489443|0.065445|0.061917|0.058613|0.064562|0.066702|0.101256|0.104388|0.079589|0.072770|0.078214|0.064070|0.058696|0.077499|0.071053|0.091321|0.080080|0.067666|0.053421|0.052899|0.141068|0.206696|0.128005|0.141482|0.207428|0.214011|0.500000| |2.267608|4.683932|2.965938|2.748751|2.949671|3.563605|4.073719|3.568782|4.972531|4.969961|4.071393|4.840182|5.153584|0.134888|3.799717|0.106213|3.046212|2.541741|0.063153|2.492740|2.814031|4.564613|0.103439|2.917919|2.469500|0.061912|2.291839|1.992426|12.875779|6.987755|8.921229|8.755502|5.493011|4.839136|5.506684|8.795000|17.558811|6.927940|5.714394|4.442019|6.901657|0.063848|0.059196|0.058260|0.067110|0.074302|0.100283|0.144910|0.103742|0.081819|0.083970|0.069495|0.061047|0.081834|0.071208|0.087649|0.075756|0.067706|0.052425|0.051902|0.122880|0.141034|0.106722|0.123190|0.141236|0.213988|0.302279|0.500000| |1.576948|3.093671|1.877616|1.804839|1.916756|2.165656|2.293659|2.100519|2.608091|2.762792|2.519142|3.064518|2.698241|0.071371|2.370812|0.069257|2.022394|1.812274|0.046275|1.861330|2.074625|3.056843|0.068212|1.987950|1.758075|0.046011|1.630414|1.473791|5.939587|3.545412|5.328685|4.834212|4.446126|5.724876|6.918369|8.806097|5.511363|17.537308|8.808353|6.918879|5.512950|0.044525|0.042034|0.041378|0.046102|0.050709|0.058946|0.084030|0.070284|0.055699|0.054498|0.052696|0.047368|0.062057|0.054370|0.056809|0.053774|0.046692|0.038991|0.039434|0.105890|0.105890|0.127871|0.207420|0.141340|0.212594|0.123216|0.141556|0.500000| |1.758818|3.497892|2.173502|2.097888|2.276729|2.652935|2.809515|2.479762|3.303860|3.642710|3.265833|3.833719|3.323879|0.085134|2.827000|0.083570|2.376436|2.066370|0.052509|2.104039|2.330987|3.493826|0.077397|2.229632|1.969195|0.050782|1.819720|1.621295|7.598679|4.239710|6.015803|5.703427|4.441109|4.842292|5.504422|8.788268|6.920190|17.517188|8.786753|5.503756|6.922262|0.049619|0.046299|0.046198|0.052779|0.059904|0.068615|0.113733|0.091478|0.066125|0.063926|0.060162|0.052659|0.069899|0.059713|0.064159|0.059033|0.052646|0.042785|0.043001|0.105795|0.105812|0.106678|0.141337|0.123041|0.212913|0.141326|0.207689|0.303242|0.500000| |1.551026|3.078208|1.875528|1.787108|1.906956|2.197464|2.367477|2.138583|2.813412|3.043660|2.665638|3.135692|3.019844|0.076831|2.781569|0.085248|2.308925|2.080968|0.052592|2.219110|2.520832|3.598417|0.080706|2.234931|1.974115|0.051955|1.775507|1.591707|6.893296|4.097358|6.055136|5.510052|4.854195|5.514856|4.849574|5.512427|4.851105|8.819181|17.544043|8.817481|8.873329|0.043042|0.041359|0.041071|0.045305|0.050137|0.060536|0.098287|0.074934|0.064098|0.060199|0.063910|0.056063|0.078686|0.065204|0.062082|0.060283|0.050144|0.041504|0.042928|0.127963|0.106762|0.123436|0.127809|0.106647|0.123412|0.106696|0.128027|0.212641|0.212871|0.500000| |1.512364|3.000428|1.781263|1.660055|1.721583|1.945087|2.147249|2.023825|2.497021|2.532851|2.197841|2.673753|2.839388|0.075414|2.677832|0.079663|2.205437|2.060586|0.051577|2.226926|2.634783|3.733919|0.086863|2.347922|2.024799|0.054213|1.804498|1.632461|6.327684|4.231005|6.792456|5.706476|6.913510|8.790737|5.503886|4.839494|4.434218|5.503606|8.790482|17.515799|6.904343|0.041659|0.040974|0.039783|0.042357|0.044842|0.059010|0.078524|0.059956|0.059349|0.057522|0.062215|0.057151|0.082005|0.070858|0.064480|0.065682|0.050144|0.042322|0.044540|0.207174|0.141331|0.212963|0.141294|0.123053|0.106630|0.105721|0.105737|0.141344|0.123018|0.212777|0.500000| |1.459005|2.864064|1.702329|1.606472|1.671551|1.870785|2.026088|1.906801|2.307454|2.365137|2.109362|2.589833|2.521684|0.067602|2.316005|0.067879|1.955778|1.809872|0.045889|1.909423|2.189263|3.146792|0.071693|2.035459|1.780907|0.047446|1.623769|1.478643|5.513804|3.541815|5.616974|4.834164|5.508720|8.799262|6.913834|5.720812|4.440198|6.917024|8.810330|17.536291|5.507062|0.040643|0.039447|0.038321|0.041232|0.043913|0.054865|0.072177|0.058072|0.053068|0.051928|0.053491|0.049182|0.066446|0.058710|0.056935|0.056507|0.045613|0.038779|0.040117|0.141352|0.123134|0.212451|0.207224|0.141289|0.127800|0.105836|0.105867|0.207461|0.141337|0.212644|0.303244|0.500000| 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