Version2.0 2020-07-29T01:00:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1C(=c2cc(ccc2=[NH+]1)C#N)CCNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)C5(CCCCC5)C C39674720 RHF 6-31G(d) (6D,7F) C[C@@H]1C(=c2cc(ccc2=[NH+]1)C#N)CCNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)C5(CCCCC5)C C01[X(C29H41N5O2)] 225 C1 622 N#Cc1ccc2=[NH+][C@@H](C(=c2c1)CCNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)C1(C)CCCCC1)C N#Cc1ccc2=[NH+][C@@H](C(=c2c1)CCNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)C1(C)CCCCC1)C C[C@H]1[NH+]=C2C=CC(=CC2=C1CCNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)C5(C)CCCCC5)C#N InChIKey=QAUBKUQISINQFZ-YKSBVNFPSA-P InChI=1S/C29H39N5O2/c1-20-22(23-16-21(17-30)6-7-25(23)33-20)8-13-32-26(35)24-18-34(19-29(24)11-14-31-15-12-29)27(36)28(2)9-4-3-5-10-28/h6-7,16,20,24,31H,3-5,8-15,18-19H2,1-2H3,(H,32,35)/p+2/t20-,24+/m1/s1 InChI=1/C29H39N5O2/c1-20-22(23-16-21(17-30)6-7-25(23)33-20)8-13-32-26(35)24-18-34(19-29(24)11-14-31-15-12-29)27(36)28(2)9-4-3-5-10-28/h6-7,16,20,24,31H,3-5,8-15,18-19H2,1-2H3,(H,32,35)/p+2/t20-,24+/m1/s1/fC29H41N5O2/h31-33H/q+2 C[C@@H]1C(=c2cc(ccc2=[NH+]1)C#N)CCNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)C5(CCCCC5)C C01[X(C29H41N5O2)] 225 C01 622 N#Cc1ccc2=[NH+][C@@H](C(=c2c1)CCNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)C1(C)CCCCC1)C N#C[C]1[CH]=[CH][C]2[C]([CH]=1)=C(CCNC(=O)[C@@H]1CN(CC31CC[NH2]CC3)C(=O)C1(C)CCCCC1)[C@H]([NH]2)C C[C@H]1N[C]2C=CC(=CC2=C1CCNC(=O)[C@@H]3CN(CC34CC[NH2]CC4)C(=O)C5(C)CCCCC5)C#N InChIKey=RAHAWUQFZGGJTN-YKSBVNFPSA-N InChI=1S/C29H41N5O2/c1-20-22(23-16-21(17-30)6-7-25(23)33-20)8-13-32-26(35)24-18-34(19-29(24)11-14-31-15-12-29)27(36)28(2)9-4-3-5-10-28/h6-7,16,20,24,33H,3-5,8-15,18-19,31H2,1-2H3,(H,32,35)/t20-,24+/m1/s1 InChI=1/C29H41N5O2/c1-20-22(23-16-21(17-30)6-7-25(23)33-20)8-13-32-26(35)24-18-34(19-29(24)11-14-31-15-12-29)27(36)28(2)9-4-3-5-10-28/h6-7,16,20,24,33H,3-5,8-15,18-19,31H2,1-2H3,(H,32,35)/t20-,24+/m1/s1/f/h32H 4035.8377048257 -1543.5845727 1-A 22970.8148 132 490 622 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.72444 -20.69154 -15.93031 -15.83877 -15.78315 -15.75632 -15.73670 -11.55042 -11.54649 -11.52031 -11.51893 -11.51782 -11.51170 -11.50687 -11.48759 -11.48333 -11.48143 -11.47138 -11.47090 -11.46607 -11.45767 -11.45693 -11.45353 -11.44963 -11.44460 -11.44419 -11.44401 -11.43255 -11.42864 -11.39689 -11.37087 -11.36733 -11.35318 -11.35267 -11.34135 -11.34060 -1.59323 -1.56578 -1.56101 -1.54659 -1.43877 -1.43545 -1.39814 -1.37026 -1.33762 -1.32900 -1.28277 -1.27582 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12.00000 12.00000 12.00000 12.00000 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 10995.1903 33335.8089 38903.7226 0.99998 0.00475 -0.00506 -0.00473 0.99998 0.00341 0.00508 -0.00338 0.99998 1 0.00788 0.00260 0.00223 0.16414 0.05414 0.04639 16.56 24.33 28.66 39.29 58.04 74.36 89.22 103.90 105.72 115.32 137.37 157.23 191.41 195.62 207.42 218.16 245.39 262.09 263.32 320.53 327.90 340.39 361.56 375.17 377.14 399.32 408.60 426.92 438.22 453.03 464.17 465.79 496.75 511.89 538.84 571.42 601.68 608.96 625.79 626.49 630.44 652.63 682.76 709.68 712.31 719.45 726.43 737.10 760.73 763.37 814.80 825.66 852.10 861.60 863.85 914.32 921.63 949.44 1006.08 1015.61 1075.05 1101.14 1106.12 1132.40 1183.94 1202.56 1208.14 1221.96 1230.73 1235.38 1245.38 1253.80 1278.86 1311.14 1318.59 1339.71 1343.31 1353.59 1357.84 1362.32 1377.65 1401.57 1459.16 1459.86 1465.50 1477.29 1496.50 1512.12 1514.77 1529.41 1536.56 1542.04 1547.91 1553.46 1578.05 1599.71 1629.15 1634.95 1638.10 1654.73 1658.34 1665.59 1671.83 1679.84 1686.81 1712.47 1750.51 1753.09 1766.71 1773.51 1781.24 1815.62 1825.64 1831.21 1848.91 1850.72 1860.00 1897.76 1907.27 1916.56 1920.09 1931.32 1955.06 1976.48 1978.16 1983.19 2012.62 2024.74 2029.19 2050.83 2078.67 2081.42 2089.38 2091.88 2094.28 2097.53 2098.30 2121.86 2135.90 2141.75 2161.16 2168.42 2172.61 2176.71 2198.05 2201.98 2208.29 2212.89 2224.10 2230.09 2243.95 2249.18 2250.82 2256.75 2262.80 2263.81 2282.05 2286.02 2334.73 2345.71 2346.14 2350.86 2354.22 2357.71 2359.68 2361.83 2363.30 2364.86 2366.66 2370.26 2378.46 2385.63 2387.10 2394.96 2406.11 2416.84 2458.54 2489.32 2555.70 2631.42 2666.35 2730.83 2770.34 3774.43 4595.69 4602.68 4604.30 4613.88 4623.23 4624.04 4625.59 4628.85 4634.64 4647.65 4659.17 4660.87 4661.08 4664.99 4676.96 4679.21 4687.64 4702.60 4713.43 4715.94 4719.32 4724.68 4732.06 4739.91 4742.93 4752.53 4760.00 4780.34 4800.59 4802.49 4807.18 4810.03 4812.80 4865.40 4892.52 4912.05 4914.17 5266.33 5354.59 5545.59 5570.92 0.730759 0.762510 0.763454 0.665312 -1542.853813 -1542.822063 -1542.821119 -1542.919261 3.291699D-04 MUNgauss RevisionA2.0 retrievium 29-Jul-2020 DUDE C[C@@H]1C(=c2cc(ccc2=[NH+]1)C#N)CCNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)C5(CCCCC5)C C39674720 RHF 6-31G(d) (6D,10F) C1 491.326026 |X|Y|Z| 128.293168 69.246889 41.429487 71.664562 30 6 7 26 4 |36.858105| |12.423066|36.858105| |8.821616|17.507551|0.500000| |7.415407|12.659134|0.251216|36.858105| |5.439668|8.183494|0.176699|14.035818|36.858105| |3.921708|5.075097|0.121557|7.445466|13.238152|36.858105| |3.301597|4.096834|0.100551|5.138700|7.962845|14.158618|36.858105| |3.339237|4.138077|0.101395|4.637629|6.861792|7.820371|13.096216|36.858105| |4.017459|5.174113|0.123424|5.278117|7.642730|6.603274|7.717211|14.103611|36.858105| |5.535832|8.324514|0.178633|8.403419|13.198766|7.648863|6.822935|8.063301|13.410414|36.858105| |7.659889|13.082516|0.254114|8.273411|8.467414|5.305692|4.665347|5.260968|7.716127|14.551416|53.358707| |6.679852|8.759443|0.205317|5.822808|5.928176|4.241025|3.956885|4.647829|6.818970|9.297979|25.978393|0.500000| |2.671914|3.154559|0.079870|3.834228|5.105997|7.868599|13.216741|7.651932|5.081111|4.501978|4.693362|0.084766|36.858105| |2.317799|2.665532|0.068557|3.165409|3.947108|5.505802|7.394911|5.423551|3.950678|3.550490|3.893624|0.071792|16.787885|53.358707| |5.882602|7.237287|0.181546|12.706379|7.390778|5.825816|4.146736|3.582337|3.793310|5.094049|6.914980|0.113120|3.391377|3.968274|36.858105| |5.282679|5.351962|0.128873|7.496627|5.616373|4.956922|3.721167|3.207884|3.314218|4.183334|5.619639|0.096008|3.178634|3.803870|12.296212|36.858105| |4.103428|4.027487|0.104295|5.013848|4.025593|3.759320|2.991689|2.611593|2.664085|3.208847|4.375308|0.077811|2.682428|3.316618|7.714437|13.178080|53.358707| |4.055919|3.759093|0.100558|4.249246|3.390322|3.082468|2.541294|2.295504|2.385952|2.855076|4.044968|0.073680|2.285144|2.848347|5.956579|7.813590|19.171475|36.858105| |4.843790|4.147857|0.110750|4.363353|3.399806|2.972807|2.476940|2.294667|2.441433|2.957127|4.346207|0.079915|2.193258|2.715656|5.675994|6.920427|11.589872|15.810588|73.516695| |3.106546|2.959176|0.081522|3.279178|2.750572|2.586846|2.191314|1.984657|2.036375|2.366538|3.319724|0.061616|2.022848|2.568510|4.322243|5.036129|10.675490|12.501409|14.104145|36.858105| |2.793115|2.703101|0.073610|3.056146|2.640244|2.555759|2.177225|1.949529|1.970028|2.257524|3.105080|0.057608|2.043101|2.619159|3.972633|4.767372|10.164225|8.867804|10.528068|17.559487|0.500000| |2.978787|2.953163|0.084527|3.252348|2.719733|2.550556|2.162518|1.963019|2.018081|2.346672|3.303630|0.061422|1.994731|2.532510|4.293811|4.390215|8.192298|7.764211|10.765139|12.375837|0.241495|36.858105| |3.091022|2.980904|0.087239|3.106225|2.572819|2.350538|2.017758|1.873818|1.960737|2.286806|3.308335|0.062406|1.842741|2.330880|3.897380|3.851939|6.509434|6.469454|10.989823|8.121655|0.160367|13.120047|53.358707| |2.883042|2.670764|0.076374|2.731675|2.303903|2.114714|1.841564|1.725442|1.806248|2.082601|3.020033|0.057659|1.692251|2.152192|3.301053|3.460180|5.817129|5.984297|10.834723|7.810714|0.156932|8.038061|17.758069|36.858105| |2.797964|2.586686|0.071787|2.731106|2.330893|2.179196|1.892051|1.750418|1.809885|2.075741|2.954309|0.055956|1.754143|2.240989|3.355866|3.787177|6.853098|7.330848|11.635678|12.273741|0.240913|7.964530|10.726504|12.182576|36.858105| |2.289171|2.164294|0.060195|2.297613|2.020199|1.933119|1.704517|1.574494|1.608590|1.810204|2.540519|0.048437|1.608864|2.081799|2.757237|3.058957|5.342208|4.901788|7.681231|7.590055|0.205216|6.181953|7.711037|7.412307|12.282669|36.858105| |2.051322|1.920251|0.053512|1.993992|1.774033|1.694132|1.516003|1.418469|1.454270|1.620481|2.286979|0.044139|1.434955|1.863692|2.313658|2.529348|4.171630|3.708536|6.246462|4.877697|0.130431|4.309462|5.981436|5.960687|7.382737|12.493468|36.858105| |2.085042|1.911714|0.052630|1.966712|1.754946|1.669119|1.499914|1.411766|1.452243|1.615377|2.287497|0.044328|1.416429|1.837297|2.247835|2.509804|4.059969|3.601307|6.288445|4.355858|0.116638|3.628893|5.088286|5.045040|6.398898|7.679224|12.664193|53.358707| |1.923045|1.764424|0.048704|1.798495|1.617143|1.539153|1.394341|1.320761|1.359860|1.502895|2.131268|0.041576|1.319945|1.716468|2.023954|2.229253|3.517837|3.050860|5.416275|3.561211|0.095536|3.101162|4.420755|4.244803|4.881417|5.670748|9.172495|25.663075|0.500000| |2.030442|1.868544|0.051006|1.942145|1.746951|1.676580|1.509339|1.414442|1.446245|1.601838|2.249682|0.043488|1.433365|1.865705|2.219122|2.519339|4.088618|3.532333|6.029925|4.228945|0.118999|3.425943|4.596630|4.299874|5.718946|6.997948|9.190480|25.662435|0.328604|0.500000| |2.427355|2.166330|0.059386|2.198683|1.931371|1.805599|1.611411|1.524210|1.584543|1.782431|2.556777|0.049539|1.502387|1.931570|2.512892|2.835740|4.559215|4.238845|7.865452|4.817241|0.120791|3.866800|5.677848|5.966702|7.436241|6.527929|7.616944|17.223006|0.254406|0.255379|36.858105| |2.844226|2.531038|0.068784|2.622972|2.259211|2.101916|1.842236|1.721519|1.788460|2.042016|2.921712|0.055763|1.704839|2.177026|3.107697|3.645903|6.225343|6.345790|11.467272|7.332376|0.172585|5.033302|7.052089|7.351473|12.349790|7.644718|6.497877|10.439951|0.157365|0.194789|12.501811|36.858105| |3.492487|3.423297|0.104500|3.452980|2.795655|2.485913|2.125965|1.995927|2.121214|2.510099|3.711341|0.070064|1.911176|2.394253|4.251093|3.871145|6.002231|5.535211|10.310861|5.627706|0.121110|7.831983|18.734955|7.520324|5.229644|4.026439|3.380416|4.120368|0.075413|0.076946|3.422301|4.078556|36.858105| |3.827776|3.979528|0.124949|4.128402|3.256228|2.861891|2.401351|2.232716|2.375282|2.859187|4.209043|0.077965|2.133896|2.648834|5.277204|4.383214|6.539882|5.530525|9.890462|5.192829|0.116827|7.163069|11.623420|5.382683|4.375191|3.492091|2.911854|3.602999|0.066221|0.068934|2.949158|3.544089|15.817966|73.516695| |3.294568|3.149060|0.097651|2.997111|2.482449|2.192142|1.917516|1.842330|1.981950|2.317659|3.498236|0.067836|1.724058|2.165026|3.414805|3.126402|4.589013|4.077949|8.080171|4.062019|0.092343|4.913386|10.126858|6.044823|4.172807|3.374816|3.059730|3.822758|0.072042|0.070419|3.203774|3.554952|12.320704|14.224576|36.858105| |3.113197|3.127839|0.100900|2.933297|2.469573|2.178002|1.922556|1.864171|2.014323|2.341611|3.544435|0.069368|1.725532|2.164668|3.219811|2.815658|3.975584|3.305515|6.341494|3.240113|0.077095|3.927543|6.921139|4.133057|3.186486|2.721238|2.490149|3.125120|0.059734|0.058669|2.542563|2.780871|7.627844|12.451481|12.295228|36.858105| |2.572601|2.650526|0.083904|2.580175|2.233219|2.025409|1.803106|1.734040|1.841636|2.100718|3.092461|0.060385|1.644868|2.084036|2.854792|2.515197|3.610831|2.933785|5.364252|3.010740|0.073483|3.783911|6.316250|3.724136|2.943687|2.636991|2.416095|2.957784|0.056799|0.055758|2.325114|2.513402|6.137374|10.423358|7.388954|12.437981|36.858105| |2.231979|2.243953|0.069055|2.193949|1.927351|1.772141|1.593997|1.534554|1.618458|1.821035|2.660896|0.052324|1.471272|1.880424|2.423143|2.220261|3.242234|2.668558|4.862597|2.838240|0.069876|3.495740|5.908910|3.742517|2.911978|2.695619|2.550755|3.077124|0.059837|0.057302|2.377964|2.487843|5.079108|7.912970|6.299298|7.521643|12.452620|36.858105| |2.288801|2.244898|0.067801|2.212929|1.927529|1.774450|1.586785|1.518396|1.597414|1.804649|2.633929|0.051528|1.466546|1.876006|2.493974|2.354328|3.536141|3.016263|5.504601|3.331327|0.080361|4.126642|7.551460|4.983844|3.597666|3.321630|3.173683|3.731975|0.072190|0.067985|2.886993|2.988069|5.960887|8.301571|7.396351|6.480032|7.547357|12.448588|36.858105| |2.648671|2.518421|0.076076|2.427384|2.076355|1.876459|1.668292|1.605671|1.708943|1.953896|2.902497|0.056899|1.524286|1.935729|2.728816|2.594765|3.871842|3.416756|6.562747|3.635434|0.084860|4.297368|8.590929|6.049922|4.043412|3.471931|3.323027|4.060634|0.078041|0.073088|3.317673|3.451338|7.279905|9.235057|12.333874|7.659860|6.492948|7.538986|12.426170|36.858105| |3.940659|3.514845|0.107761|3.178035|2.599910|2.243645|1.966133|1.915599|2.095901|2.475894|3.846546|0.075423|1.746809|2.179197|3.495962|3.263072|4.613414|4.131145|8.968189|3.806575|0.086951|4.121058|7.688731|5.339071|3.968963|3.117480|2.882950|3.796861|0.071885|0.070219|3.332506|3.691280|7.653028|10.824688|12.349666|7.605605|4.885526|4.334323|4.855041|7.500235|36.858105| |17.589018|8.785610|0.172879|6.706838|5.415227|4.017528|3.423495|3.469006|4.134685|5.528183|9.487405|0.170329|2.771738|3.268030|5.360778|5.377251|5.531655|3.905431|8.121580|2.985353|0.076076|2.774902|3.833430|2.687961|2.693485|2.225153|2.000374|2.805030|0.052811|0.056363|2.396256|2.807648|3.060926|5.857935|2.864567|2.678876|2.271765|2.010249|2.078522|2.378917|3.361662|0.500000| |17.589179|8.846074|0.213802|5.470110|4.421127|3.333462|2.924827|3.049632|3.713872|4.832027|9.385172|0.192791|2.406319|2.871661|4.502208|4.077744|4.600051|3.435564|7.279312|2.752326|0.068831|2.676271|3.870956|2.689873|2.559272|2.120574|1.935965|2.687441|0.051125|0.053094|2.297134|2.617949|3.244376|6.176903|3.217045|3.097032|2.530252|2.206299|2.242249|2.613422|3.959271|0.300858|0.500000| |17.602537|8.804248|0.211696|6.696013|4.732337|3.599416|2.995290|2.934866|3.380758|4.461422|7.592419|0.137105|2.488923|2.978872|6.390440|5.938739|6.534914|5.023263|11.554603|3.680487|0.089152|3.492686|5.033372|3.442430|3.303280|2.612362|2.314991|3.198153|0.059619|0.063056|2.788847|3.348862|4.217639|8.111745|3.899569|3.519468|2.841515|2.462182|2.573435|3.048092|4.823384|0.299660|0.301808|0.500000| |3.578295|4.419037|0.109284|6.565246|8.699633|17.753577|9.032943|5.571047|4.813154|5.493830|5.841769|0.098157|7.187094|7.493142|6.154835|5.433015|5.720996|3.314199|5.489890|2.802537|0.078197|2.757790|3.365940|2.209537|2.309833|2.060742|1.783655|2.375334|0.044463|0.048912|1.873398|2.201040|2.571273|5.278653|2.220859|2.185298|2.056027|1.805679|1.820027|1.909472|2.236794|0.101284|0.084347|0.095099|0.500000| |2.846108|3.386949|0.085089|3.676244|4.948654|5.639327|8.780126|17.730026|9.077776|5.689517|5.710145|0.108445|7.172444|7.538863|2.985971|2.736857|3.120684|2.039045|3.619236|1.791237|0.049122|1.772376|2.308317|1.572932|1.596540|1.450712|1.316485|1.785605|0.034244|0.036567|1.407954|1.574767|1.795760|3.533673|1.671931|1.695855|1.590194|1.419061|1.401571|1.474245|1.733070|0.082225|0.073760|0.070383|0.123921|0.500000| |3.701139|4.524425|0.111434|4.283863|5.489073|4.813385|5.524627|8.979547|17.755521|8.738354|9.222962|0.192597|4.131471|4.615063|3.220895|2.865104|3.216124|2.161107|3.971078|1.864768|0.049986|1.850647|2.477024|1.690615|1.683155|1.502136|1.371316|1.870103|0.035929|0.037932|1.498999|1.672997|1.972218|3.879355|1.875305|1.916911|1.750796|1.547000|1.521247|1.629186|1.996168|0.105468|0.099311|0.086312|0.105189|0.216616|0.500000| |6.054262|7.016139|0.198854|8.979794|5.624168|4.489052|3.438343|3.097923|3.342975|4.392245|6.398492|0.108664|2.881955|3.439100|17.603634|8.819900|9.869564|6.584227|11.763602|4.757693|0.114981|4.984534|6.431496|3.824126|3.710974|2.964741|2.479000|3.244161|0.059496|0.064370|2.694863|3.347073|5.495663|13.028717|4.226603|3.929303|3.370165|2.791258|2.881562|3.211864|4.298261|0.142099|0.132084|0.200774|0.128624|0.073300|0.081418|0.500000| |4.473299|5.565533|0.148465|8.998701|6.826694|6.209789|4.339703|3.584879|3.634854|4.638842|5.949656|0.099497|3.644441|4.286852|17.565342|8.804493|9.332790|5.177184|8.245066|4.114788|0.108800|4.266260|5.050428|3.088195|3.155589|2.680964|2.236929|2.912266|0.053628|0.058929|2.336052|2.852102|3.979502|8.924777|3.168586|3.059047|2.819925|2.389873|2.432689|2.583562|3.108775|0.115694|0.101382|0.130985|0.200519|0.083558|0.085271|0.303710|0.500000| |4.455518|4.655787|0.111098|6.629787|5.776342|5.649002|4.177361|3.451424|3.432421|4.191144|5.309027|0.090965|3.619937|4.320029|8.740465|17.606313|12.581542|5.805736|9.075600|4.246909|0.118537|3.725389|4.406363|2.961759|3.287165|2.776760|2.323228|3.151292|0.057525|0.065465|2.560670|3.208142|3.211941|6.385208|2.664058|2.447647|2.233650|1.993180|2.097246|2.270998|2.753252|0.131807|0.098769|0.129875|0.181948|0.081696|0.081293|0.173357|0.215435|0.500000| |6.393328|5.671806|0.131085|6.959765|5.232181|4.407244|3.459902|3.112612|3.307214|4.194584|5.885656|0.101814|2.934407|3.516932|8.734177|17.665157|12.630868|7.343957|13.684165|4.659341|0.119567|3.953874|4.999559|3.443905|3.747651|2.975314|2.516824|3.486752|0.063424|0.071242|2.973373|3.819060|3.718755|7.201291|3.121435|2.773553|2.425974|2.161072|2.305121|2.596316|3.412094|0.192735|0.131903|0.205513|0.126017|0.074166|0.080724|0.205348|0.173005|0.303149|0.500000| |3.443173|3.495550|0.091947|4.383356|3.718148|3.658635|2.938935|2.520993|2.515556|2.958050|3.940420|0.070544|2.706759|3.394381|6.434713|9.039652|26.050974|9.368250|10.873087|7.508823|0.231159|6.033096|6.073442|3.947896|4.730129|3.950717|3.035899|3.938033|0.069715|0.081915|3.124596|4.147711|4.015651|7.801487|3.079036|2.718779|2.546385|2.304181|2.502089|2.661608|2.998124|0.094966|0.080834|0.107868|0.117787|0.062006|0.061945|0.164474|0.182130|0.226257|0.181714|0.500000| |3.168199|3.265799|0.094404|3.714244|3.066273|2.875799|2.395774|2.148698|2.202874|2.587763|3.612342|0.066288|2.195183|2.768152|5.141341|4.908750|8.912400|7.336502|10.170253|8.622909|0.195830|17.726282|12.420405|5.799310|5.658407|4.633649|3.471928|4.128310|0.073590|0.080851|3.239651|4.109656|7.644600|15.371910|4.721714|4.034971|3.913464|3.431795|3.814338|3.919206|3.972757|0.081096|0.078018|0.102203|0.087363|0.053462|0.055563|0.168940|0.148097|0.114620|0.116945|0.186745|0.500000| |2.549739|2.549529|0.072983|2.797560|2.412286|2.309810|1.990167|1.807049|1.840150|2.102176|2.929630|0.054926|1.865600|2.395763|3.553876|3.628937|6.488291|5.610783|8.127460|8.772394|0.216789|17.570812|12.389897|6.769797|6.922525|6.659453|4.558856|4.937598|0.086682|0.095509|3.639819|4.467156|6.000146|9.793932|4.223020|3.518418|3.580313|3.441233|4.086277|3.976919|3.497946|0.066695|0.064570|0.080943|0.069616|0.045746|0.047105|0.110210|0.100936|0.089376|0.091271|0.140298|0.303153|0.500000| |3.129759|2.805505|0.080172|2.785209|2.331912|2.106164|1.839656|1.743381|1.845751|2.138291|3.152492|0.060625|1.676161|2.121768|3.284000|3.436523|5.518722|5.661208|11.649343|6.207220|0.129985|5.982906|12.354566|17.686710|8.715207|5.611266|5.033901|6.465438|0.114386|0.112117|6.214948|7.326080|7.128022|9.125464|6.599458|4.300108|3.650136|3.635710|4.735158|6.431531|6.654805|0.080498|0.082147|0.105670|0.060302|0.044102|0.048250|0.106433|0.083142|0.081044|0.098463|0.100726|0.134057|0.139073|0.500000| |2.499846|2.342309|0.067317|2.382126|2.049814|1.901414|1.677122|1.578565|1.646124|1.873145|2.704268|0.052095|1.555045|1.991307|2.808597|2.904375|4.747971|4.514560|8.053309|5.819659|0.130433|6.319980|12.334488|17.587486|8.665804|7.387795|6.805079|7.153268|0.126799|0.119968|5.676525|5.964253|6.072531|8.001787|5.470188|3.904145|3.683881|3.946644|5.609049|6.395864|4.646143|0.065071|0.065833|0.080827|0.055086|0.040275|0.043066|0.088710|0.074352|0.070867|0.080032|0.092234|0.133104|0.170111|0.302679|0.500000| |2.189631|2.111382|0.059388|2.251851|1.986842|1.911377|1.686563|1.553876|1.582457|1.776660|2.484545|0.047345|1.597886|2.072746|2.710313|2.915213|5.041405|4.461427|6.922551|6.871885|0.187978|6.792215|8.141009|6.916624|8.686441|17.594226|9.031525|7.636174|0.127279|0.143532|4.888467|5.514997|4.180076|6.463221|3.447300|2.824063|2.823746|2.915357|3.615835|3.592491|3.046413|0.058585|0.056480|0.068918|0.056816|0.039814|0.041022|0.081409|0.074638|0.073800|0.077238|0.106089|0.139331|0.236544|0.140832|0.205871|0.500000| |2.213068|2.102253|0.057785|2.264174|2.014171|1.953888|1.725650|1.582733|1.603309|1.794034|2.489562|0.047322|1.642169|2.135272|2.716377|3.092556|5.458897|4.754760|7.203271|7.083845|0.227889|5.375878|6.252940|5.445315|8.779988|17.520195|8.928289|9.418639|0.144331|0.205231|5.716300|6.859440|3.466345|5.581260|2.912052|2.420572|2.351690|2.370352|2.820133|2.926185|2.743822|0.060599|0.056579|0.069371|0.058331|0.040582|0.041467|0.079117|0.073969|0.079687|0.082949|0.115547|0.118792|0.160481|0.123999|0.145121|0.304484|0.500000| |2.041288|1.909124|0.053745|1.956025|1.734416|1.643589|1.473815|1.388133|1.431285|1.596535|2.270837|0.044042|1.389375|1.800641|2.251339|2.406555|3.892677|3.476950|6.038379|4.425087|0.113276|4.189869|6.263650|6.475712|6.589102|8.718932|17.636749|12.452180|0.225634|0.181190|6.947755|5.697767|3.571739|5.325242|3.347116|2.685041|2.610257|2.829312|3.645430|3.823127|3.106963|0.054728|0.054040|0.064106|0.047745|0.035801|0.037636|0.067894|0.060294|0.060951|0.066789|0.077798|0.094216|0.122293|0.153588|0.235835|0.213408|0.173197|0.500000| |1.850590|1.750833|0.048761|1.825624|1.644781|1.587093|1.430483|1.337330|1.362834|1.505453|2.109391|0.040792|1.365634|1.784844|2.100195|2.283685|3.718057|3.176283|5.296109|4.075225|0.114242|3.714036|4.993322|4.559832|5.415604|8.782638|17.629615|12.356374|0.221978|0.224485|5.584931|4.894519|2.919185|4.579004|2.662996|2.234665|2.208386|2.344655|2.855472|2.894541|2.496279|0.050348|0.048642|0.057242|0.046517|0.034646|0.035751|0.061787|0.057071|0.059205|0.062666|0.076556|0.085749|0.112614|0.109425|0.143449|0.214347|0.217126|0.301788|0.500000| |2.421892|2.158467|0.059921|2.155416|1.886020|1.749036|1.564454|1.490137|1.558894|1.755783|2.542544|0.049561|1.453029|1.864704|2.442246|2.676252|4.218529|3.924257|7.518494|4.398684|0.107072|3.790836|5.943365|6.534178|6.673533|5.756106|6.972317|12.439404|0.224531|0.181082|17.617416|8.734117|3.636995|5.417226|3.554354|2.759795|2.501629|2.602436|3.233389|3.828626|3.716334|0.065431|0.064543|0.077535|0.050079|0.038254|0.041147|0.073910|0.062980|0.066632|0.077935|0.079956|0.088412|0.098993|0.203510|0.182712|0.128709|0.132765|0.209281|0.143202|0.500000| |2.364647|2.086991|0.056668|2.103269|1.865232|1.745323|1.569010|1.492487|1.552872|1.736623|2.490833|0.048517|1.464531|1.885009|2.358493|2.682607|4.188385|3.752743|7.084534|4.005249|0.103414|3.251198|4.697288|4.561854|5.436868|4.899874|5.586881|12.360242|0.222497|0.224112|17.629976|8.777567|2.962628|4.651927|2.825165|2.298792|2.094766|2.129825|2.523153|2.890775|3.017675|0.065801|0.062555|0.074555|0.050015|0.038420|0.040975|0.069277|0.060637|0.068155|0.079457|0.079480|0.078271|0.084954|0.135969|0.120388|0.107768|0.128366|0.143200|0.126486|0.301489|0.500000| |2.732137|2.451151|0.065626|2.589016|2.262220|2.136369|1.875332|1.739350|1.790026|2.030274|2.863777|0.054442|1.748750|2.242202|3.064804|3.737086|6.460004|6.114119|10.254289|6.850460|0.183648|4.532120|5.863268|5.416940|8.803505|6.874636|5.721779|9.445795|0.144619|0.206724|8.913742|17.498084|3.497295|5.644715|3.028960|2.462512|2.257180|2.217873|2.597052|2.911905|3.130503|0.076569|0.069202|0.087662|0.062633|0.044273|0.046350|0.088802|0.078768|0.093835|0.108306|0.122123|0.106431|0.114381|0.145496|0.128252|0.139942|0.202491|0.132249|0.128964|0.173071|0.215558|0.500000| |3.297945|2.833038|0.076430|2.881531|2.441464|2.226909|1.942328|1.828006|1.921281|2.218793|3.221883|0.061493|1.774317|2.246853|3.385816|4.000171|6.570778|6.913441|14.696252|6.581012|0.149160|4.743356|6.952004|6.843545|8.765981|5.526313|4.869329|7.620089|0.126949|0.143754|8.993511|17.659007|4.290122|6.660277|3.805828|2.944685|2.579276|2.507712|2.969202|3.553396|4.202162|0.090359|0.084029|0.110748|0.064055|0.046201|0.049955|0.102372|0.083768|0.095342|0.121652|0.115482|0.112210|0.112256|0.218566|0.148212|0.122787|0.140079|0.127389|0.107620|0.212210|0.213618|0.304273|0.500000| |2.944685|2.907247|0.093145|2.661707|2.277371|2.008137|1.796659|1.765092|1.918217|2.206698|3.368301|0.067150|1.615080|2.030404|2.831393|2.517319|3.504794|2.893969|5.628505|2.821087|0.068068|3.272800|5.620885|3.619075|2.843016|2.460392|2.310857|2.945793|0.057036|0.055224|2.401724|2.562802|5.566185|9.063237|8.919785|17.521041|8.877462|6.842854|5.770378|7.033472|7.221923|0.070728|0.083716|0.090897|0.055444|0.044888|0.051307|0.093413|0.074276|0.061507|0.070022|0.066547|0.091886|0.082808|0.107553|0.096987|0.070131|0.061119|0.069623|0.057908|0.073106|0.061094|0.063192|0.075769|0.500000| |3.543227|3.680178|0.123956|3.395081|2.810667|2.432099|2.128197|2.067933|2.256838|2.665790|4.087490|0.079442|1.884954|2.343590|3.678533|3.076690|4.217487|3.419082|6.576980|3.218914|0.077025|3.856188|6.414441|3.774093|3.045165|2.578403|2.326116|2.953530|0.056196|0.056146|2.412102|2.688586|7.136778|13.932735|8.782326|17.619566|8.823046|5.490699|4.841174|5.539800|6.948873|0.082629|0.097520|0.110500|0.067227|0.051815|0.059383|0.127595|0.096459|0.073771|0.083727|0.079495|0.114950|0.094175|0.108971|0.096165|0.073784|0.064821|0.068326|0.058224|0.071401|0.061192|0.067122|0.079981|0.303278|0.500000| |2.436540|2.553245|0.081487|2.466026|2.168974|1.972216|1.773543|1.718910|1.827863|2.066463|3.037699|0.059796|1.619903|2.054383|2.658268|2.318335|3.260299|2.585241|4.720770|2.611856|0.064959|3.185819|5.050877|3.080557|2.532998|2.298946|2.124613|2.632468|0.050898|0.050060|2.058641|2.211010|4.694780|8.477713|5.440391|8.872375|17.553280|8.830691|5.501048|4.880285|4.098996|0.059838|0.067241|0.073152|0.055211|0.043971|0.048550|0.085556|0.073537|0.057901|0.062138|0.064179|0.092965|0.084485|0.084634|0.084587|0.067968|0.057880|0.063183|0.054576|0.061058|0.052200|0.055922|0.063167|0.215697|0.214070|0.500000| |2.596970|2.722581|0.085748|2.731361|2.357383|2.158062|1.903680|1.806111|1.900553|2.174486|3.156133|0.060801|1.742025|2.208496|3.105051|2.707786|3.945369|3.174437|5.633743|3.309680|0.080964|4.376606|7.035708|3.893720|3.128375|2.815135|2.511677|3.031894|0.057640|0.057537|2.360943|2.601258|6.772880|12.328238|6.636850|8.834943|17.530927|8.830648|6.722089|5.638998|4.452698|0.064002|0.069541|0.079875|0.061596|0.045852|0.049709|0.102238|0.087050|0.066732|0.071080|0.078315|0.129968|0.115976|0.102059|0.105573|0.085237|0.069971|0.074397|0.063934|0.069508|0.058717|0.065377|0.073367|0.173876|0.213857|0.304377|0.500000| |2.143272|2.136775|0.065717|2.055100|1.818176|1.666601|1.511545|1.469317|1.557090|1.742207|2.561612|0.050909|1.394352|1.782894|2.224289|2.047163|2.946574|2.413875|4.465670|2.522869|0.062528|2.987199|4.980966|3.310710|2.619825|2.427040|2.346463|2.886830|0.056790|0.053758|2.242224|2.306595|4.244577|6.705740|5.529620|6.743117|8.853133|17.513421|8.869010|6.775781|4.166494|0.053678|0.059738|0.065108|0.046793|0.037889|0.041662|0.070524|0.060448|0.051304|0.055994|0.057856|0.081364|0.081092|0.092207|0.096923|0.071610|0.059747|0.072453|0.060138|0.068636|0.056469|0.057249|0.065125|0.200493|0.139340|0.216330|0.173701|0.500000| |2.023164|2.055941|0.062797|2.037724|1.814243|1.690399|1.528831|1.466799|1.534032|1.710068|2.468772|0.048502|1.423671|1.830161|2.248925|2.067855|3.027289|2.450241|4.378585|2.640693|0.066319|3.255539|5.215524|3.323786|2.684366|2.561517|2.428342|2.902069|0.056635|0.054450|2.196478|2.288925|4.250416|6.896152|4.762862|5.485633|8.815124|17.555569|8.822108|5.493229|3.506733|0.051117|0.055305|0.061333|0.048074|0.037848|0.040721|0.070777|0.062569|0.052177|0.055452|0.060650|0.089371|0.091919|0.087718|0.098455|0.078150|0.063184|0.074275|0.063093|0.065974|0.054824|0.057445|0.063263|0.139858|0.123220|0.210499|0.215406|0.303698|0.500000| |2.058080|2.005278|0.059884|1.975893|1.743081|1.617049|1.458644|1.399940|1.467847|1.642164|2.386334|0.046951|1.357145|1.744978|2.202424|2.112963|3.168238|2.682458|4.884829|2.984867|0.073444|3.544215|6.153547|4.414520|3.313490|3.180085|3.174791|3.723497|0.073417|0.067384|2.821363|2.817655|4.560146|6.604766|5.442101|4.867512|5.499091|8.823298|17.542512|8.856849|4.066050|0.052533|0.056319|0.063667|0.046041|0.036103|0.039004|0.069355|0.059762|0.052889|0.057808|0.062642|0.090088|0.099928|0.117339|0.145008|0.095906|0.075119|0.103642|0.080492|0.088687|0.068808|0.068341|0.076811|0.129373|0.106904|0.123466|0.138249|0.216595|0.210749|0.500000| |2.289911|2.265691|0.067937|2.284073|1.987082|1.845615|1.640327|1.552872|1.620971|1.833522|2.647395|0.051303|1.522500|1.951390|2.632426|2.499292|3.845270|3.291244|5.815361|3.794699|0.091375|4.991622|9.105963|5.617015|4.044487|3.805967|3.509765|3.979672|0.075758|0.072743|3.021001|3.194741|6.539258|9.044843|6.657273|5.650070|6.740623|8.841514|17.506714|8.807068|4.433086|0.058106|0.061334|0.071762|0.053152|0.039745|0.042586|0.084393|0.072221|0.061826|0.066964|0.076606|0.125226|0.142876|0.136685|0.178544|0.119961|0.088558|0.110993|0.087704|0.092178|0.072274|0.077381|0.086292|0.132362|0.125829|0.138510|0.195650|0.173935|0.215689|0.303496|0.500000| |2.591901|2.417305|0.071508|2.349284|2.014581|1.830594|1.628098|1.562384|1.656442|1.888950|2.792080|0.054652|1.493279|1.901217|2.659705|2.611948|3.972402|3.598340|6.946756|3.936947|0.091030|4.448633|9.022329|7.614678|4.724906|4.014350|3.955618|4.815073|0.092328|0.084336|3.999271|4.039695|6.522454|8.259979|8.676938|5.508844|4.818752|5.492130|8.795556|17.598504|6.779802|0.065666|0.070602|0.083451|0.051951|0.039901|0.043827|0.085837|0.069548|0.063556|0.073257|0.075656|0.107595|0.114817|0.234713|0.242426|0.112788|0.091321|0.131321|0.092971|0.134025|0.094311|0.091700|0.114023|0.143308|0.122735|0.106728|0.124375|0.140484|0.123126|0.215572|0.210020|0.500000| |2.544097|2.402503|0.072743|2.269689|1.960776|1.766677|1.585923|1.542982|1.651279|1.876068|2.807539|0.055738|1.448122|1.839799|2.482976|2.356008|3.431779|2.964135|5.771731|3.065208|0.073127|3.475775|6.402520|4.683097|3.389502|2.963109|2.915790|3.671004|0.071929|0.066460|3.005296|3.045606|5.435186|7.593101|8.968991|7.096052|5.837761|6.923270|8.899640|17.528542|7.123045|0.063469|0.071238|0.080110|0.049480|0.039515|0.044104|0.080106|0.065060|0.057811|0.066244|0.065439|0.090153|0.090083|0.143794|0.136508|0.083910|0.070892|0.092646|0.071632|0.096750|0.074627|0.072387|0.088235|0.216098|0.144072|0.130902|0.133142|0.203854|0.140956|0.214893|0.173780|0.307137|0.500000| |4.970074|4.368489|0.137570|3.788982|3.005525|2.521575|2.185968|2.138343|2.374193|2.870349|4.578943|0.089143|1.910828|2.359459|4.097253|3.684093|4.990262|4.347171|9.666314|3.758648|0.086569|4.017159|6.969342|4.610539|3.695937|2.900396|2.631992|3.497845|0.065921|0.065956|3.053907|3.480964|7.095751|11.650129|8.759372|6.952394|4.529238|3.800836|4.025118|5.465811|17.569435|0.111827|0.138730|0.175177|0.069067|0.053191|0.062531|0.144370|0.098169|0.084873|0.108128|0.088426|0.112419|0.093211|0.151663|0.109358|0.078603|0.072579|0.076867|0.063981|0.091391|0.078112|0.084307|0.111686|0.178161|0.209061|0.109683|0.118290|0.100965|0.088009|0.094588|0.105813|0.138648|0.144398|0.500000| |3.536423|3.165136|0.097163|2.812072|2.359957|2.047653|1.822930|1.798535|1.974586|2.298394|3.583975|0.071757|1.626166|2.035816|2.986106|2.791752|3.882323|3.359093|7.084008|3.148245|0.074163|3.372259|5.979113|4.305591|3.327674|2.730067|2.603522|3.462524|0.066874|0.064085|2.995964|3.179269|5.539206|8.340095|8.810675|7.019751|4.619926|4.253963|4.584084|6.916093|17.577154|0.084740|0.102675|0.114618|0.056254|0.045554|0.052896|0.098534|0.074776|0.066988|0.081359|0.071221|0.090741|0.082465|0.144937|0.110364|0.074335|0.067345|0.078583|0.063516|0.093714|0.076831|0.076074|0.099045|0.221493|0.172666|0.111795|0.111742|0.120501|0.095176|0.110598|0.111127|0.169866|0.217046|0.301547|0.500000| 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