Version2.0 2020-04-13T09:27:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCNC(=O)N1CCC[NH+](CC1)CC2=C([C@H](NC(=O)N2CC=C)c3cccc(c3)F)C(=O)OCC C36019107 RHF 6-31G(d) (6D,7F) CCCNC(=O)N1CCC[NH+](CC1)CC2=C([C@H](NC(=O)N2CC=C)c3cccc(c3)F)C(=O)OCC C01[X(C26H37F1N5O4)] 213 C1 614 CCCNC(=O)N1CCC[NH+](CC1)CC1=C(C(=O)OCC)[C@H](NC(=O)N1CC=C)c1cccc(c1)F CCCNC(=O)N1CCC[NH+](CC1)CC1=C(C(=O)OCC)[C@H](NC(=O)N1CC=C)c1cccc(c1)F CCCNC(=O)N1CCC[NH+](CC1)CC2=C([C@H](NC(=O)N2CC=C)c3cccc(F)c3)C(=O)OCC InChIKey=LGKVXCOFBJJOIB-HSZRJFAPSA-O InChI=1S/C26H36FN5O4/c1-4-11-28-25(34)31-14-8-13-30(15-16-31)18-21-22(24(33)36-6-3)23(19-9-7-10-20(27)17-19)29-26(35)32(21)12-5-2/h5,7,9-10,17,23H,2,4,6,8,11-16,18H2,1,3H3,(H,28,34)(H,29,35)/p+1/t23-/m1/s1 InChI=1/C26H36FN5O4/c1-4-11-28-25(34)31-14-8-13-30(15-16-31)18-21-22(24(33)36-6-3)23(19-9-7-10-20(27)17-19)29-26(35)32(21)12-5-2/h5,7,9-10,17,23H,2,4,6,8,11-16,18H2,1,3H3,(H,28,34)(H,29,35)/p+1/t23-/m1/s1/fC26H37FN5O4/h28-30H/q+1 CCCNC(=O)N1CCC[NH+](CC1)CC2=C([C@H](NC(=O)N2CC=C)c3cccc(c3)F)C(=O)OCC C01[X(C26H37F1N5O4)] 213 C01 614 CCCNC(=O)N1CCC[NH+](CC1)CC1=C(C(=O)OCC)[C@H](NC(=O)N1CC=C)c1cccc(c1)F CCCNC(=O)N1CCC[NH](CC1)CC1=C([C@H](OCC)O)[C@H](NC(=O)N1CC=C)c1cccc(c1)F CCCNC(=O)N1CCC[NH](CC1)CC2=C([C@@H](O)OCC)[C@H](NC(=O)N2CC=C)c3cccc(F)c3 InChIKey=SEHWXZJZTZJNSO-RPWUZVMVSA-N InChI=1S/C26H39FN5O4/c1-4-11-28-25(34)31-14-8-13-30(15-16-31)18-21-22(24(33)36-6-3)23(19-9-7-10-20(27)17-19)29-26(35)32(21)12-5-2/h5,7,9-10,17,23-24,30,33H,2,4,6,8,11-16,18H2,1,3H3,(H,28,34)(H,29,35)/t23-,24+/m1/s1 InChI=1/C26H39FN5O4/c1-4-11-28-25(34)31-14-8-13-30(15-16-31)18-21-22(24(33)36-6-3)23(19-9-7-10-20(27)17-19)29-26(35)32(21)12-5-2/h5,7,9-10,17,23-24,30,33H,2,4,6,8,11-16,18H2,1,3H3,(H,28,34)(H,29,35)/t23-,24+/m1/s1/f/h28-29H 4298.3695228121 -1677.0954814 1-A 18227.7357 134 480 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.38559 -20.71928 -20.66829 -20.63488 -20.61988 -15.81836 -15.72138 -15.70217 -15.68682 -15.68203 -11.50637 -11.48569 -11.47979 -11.43998 -11.42983 -11.42531 -11.41149 -11.40502 -11.39533 -11.39279 -11.39154 -11.38660 -11.37539 -11.36605 -11.36563 -11.35157 -11.33903 -11.33600 -11.32748 -11.32503 -11.32116 -11.31757 -11.31523 -11.31297 -11.30797 -11.29468 -1.70433 -1.59221 -1.52072 -1.51469 -1.48602 -1.46398 -1.39657 -1.37403 -1.33889 -1.33404 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2366.75 2375.51 2378.80 2394.37 2397.17 2398.79 2399.40 2401.72 2412.35 2463.36 2589.13 2613.54 2626.21 2696.16 2741.01 2750.72 2849.76 4594.82 4614.40 4636.75 4637.77 4640.72 4653.31 4671.66 4679.90 4697.57 4702.57 4703.26 4708.90 4714.26 4721.96 4726.52 4737.37 4738.34 4746.53 4750.18 4773.00 4783.98 4785.58 4794.22 4794.64 4819.45 4823.97 4829.94 4835.25 4871.45 4875.41 4899.82 4906.18 4917.78 4921.95 5237.33 5531.88 5559.84 0.673373 0.707285 0.708229 0.602955 -1676.422109 -1676.388197 -1676.387252 -1676.492526 3.530907D-04 MUNgauss RevisionA2.0 retrievium 13-Apr-2020 DUDE CCCNC(=O)N1CCC[NH+](CC1)CC2=C([C@H](NC(=O)N2CC=C)c3cccc(c3)F)C(=O)OCC C36019107 RHF 6-31G(d) (6D,10F) C1 502.282958 |X|Y|Z| 104.673533 74.686972 41.146148 68.517836 20 6 7 16 4 |36.858105| |12.468422|36.858105| |7.526842|12.497380|36.858105| |4.995793|7.777134|13.050597|53.358707| |3.843846|5.123819|7.808904|19.224493|36.858105| |3.650169|4.489354|6.874356|11.504793|15.758715|73.516695| |3.106889|4.003068|5.172950|11.160357|13.721796|15.019806|53.358707| |2.923463|3.785235|4.408975|8.990677|7.653419|9.692246|17.788779|36.858105| |2.730331|3.415582|3.879201|7.097831|5.933449|8.602761|10.419090|12.452445|36.858105| |2.374242|2.839879|3.283692|5.621919|5.045968|8.226647|8.660670|7.383579|12.463985|36.858105| |2.486542|2.935365|3.569433|5.967355|5.853623|10.732826|9.115008|6.018738|7.531622|12.625107|53.358707| |2.830894|3.388414|4.254397|7.140315|7.171772|13.558797|9.744257|6.158032|7.593306|9.275793|25.620645|0.500000| |2.401099|2.818565|3.496756|5.873652|6.123708|11.701753|10.197584|5.699007|5.669759|7.558576|17.323435|0.258490|36.858105| |2.591618|3.141042|3.942321|7.164567|7.906134|12.688642|17.897446|7.720157|5.994224|6.392374|10.222079|0.190514|12.373696|36.858105| |2.209735|2.510145|2.961923|4.605517|4.170870|8.052145|5.991785|4.124020|5.102473|7.703426|17.266590|0.263775|7.648608|4.915592|36.858105| |2.213228|2.450475|2.934691|4.351660|3.922824|8.206430|5.239094|3.407878|3.867828|4.959668|10.313091|0.200328|6.418059|4.316941|12.518250|36.858105| |2.443870|2.663751|3.224432|4.576130|4.018651|8.756134|4.990083|3.217521|3.595363|4.208143|8.140292|0.185216|5.118772|3.851029|7.586470|14.210996|36.858105| |2.312054|2.435760|2.915477|3.965045|3.372977|7.388708|4.135408|2.653271|2.837529|3.188672|5.687745|0.125356|3.985006|3.206799|4.883967|7.710214|12.585198|36.858105| |2.558553|2.657937|3.228250|4.240008|3.553992|7.983359|4.188030|2.650686|2.774665|3.003001|5.258609|0.119957|3.746097|3.161019|4.182462|5.864796|9.020109|17.644871|0.500000| |2.112594|2.235799|2.678996|3.711015|3.215960|7.034712|4.060550|2.562318|2.666710|3.042701|5.428409|0.113404|4.159779|3.308888|4.566882|7.101395|7.973689|13.102547|0.259720|53.358707| |1.924302|2.062857|2.441954|3.486420|3.052277|6.444658|4.043258|2.583391|2.708918|3.212851|5.731068|0.112461|4.516883|3.434725|5.063836|7.852672|6.752294|7.691199|0.161372|19.181479|36.858105| |1.748202|1.862208|2.174470|3.099389|2.673800|5.506657|3.599639|2.322276|2.396149|2.807422|4.768644|0.092374|3.872325|3.082642|4.044749|5.416219|4.743461|5.365138|0.123691|11.561868|15.942474|73.516695| |1.961034|2.141617|2.531046|3.719166|3.307271|6.832343|4.518900|2.935532|3.193584|4.021673|7.526046|0.139453|5.594406|3.893313|7.691007|13.679095|8.001829|6.765812|0.142236|11.158631|13.581726|14.922114|53.358707| |1.739224|1.900428|2.194650|3.259545|2.843522|5.593048|4.051197|2.729809|2.983117|3.835462|6.508329|0.114626|4.886630|3.536456|6.504806|7.550884|5.122685|4.501511|0.102167|7.102034|7.804008|12.515036|17.597169|36.858105| |1.632443|1.770828|2.002589|2.945475|2.495045|4.800350|3.534659|2.474111|2.784204|3.539209|5.588676|0.100858|3.840838|2.942565|5.787688|6.113579|4.542269|3.986281|0.090940|5.729298|5.479294|8.920230|10.453061|12.656155|36.858105| |1.555251|1.694818|1.889989|2.805016|2.346815|4.393154|3.391730|2.449748|2.801481|3.589613|5.262200|0.093717|3.534016|2.792585|5.211143|4.788101|3.725626|3.222751|0.076413|4.497439|4.029138|6.726090|7.206521|7.615747|14.444293|36.858105| |2.069225|2.136075|2.459442|3.305211|2.705335|5.625086|3.381580|2.251202|2.435854|2.709837|4.530878|0.097784|3.107777|2.583915|3.972007|5.542055|7.422848|12.467170|0.249695|10.448900|5.777376|8.088875|7.095981|3.934968|3.819161|3.115562|36.858105| |2.021697|2.036700|2.311506|3.029465|2.420746|4.984695|2.997571|2.001297|2.126370|2.300218|3.729315|0.080873|2.613521|2.260439|3.106559|4.003195|5.052259|7.583167|0.204970|7.864609|4.416560|6.725846|5.269351|3.114144|3.028470|2.560273|13.718407|36.858105| |1.811178|1.810381|2.007760|2.636141|2.074629|4.162574|2.607499|1.773350|1.890345|2.035078|3.201639|0.068530|2.234289|1.959027|2.666779|3.266799|3.865145|5.016528|0.133743|5.746415|3.554395|5.684627|4.373701|2.736625|2.762163|2.383713|7.905421|13.738852|36.858105| |1.679210|1.694934|1.863402|2.484975|1.957468|3.868721|2.502997|1.727552|1.867065|2.032718|3.154838|0.066569|2.170127|1.887746|2.691343|3.231772|3.672616|4.406566|0.111299|5.153609|3.404031|5.491909|4.355614|2.816252|2.972426|2.577777|6.812134|7.915805|13.765834|36.858105| |1.709929|1.754663|1.943023|2.636204|2.103821|4.157551|2.718897|1.883598|2.069308|2.302369|3.604734|0.075282|2.433943|2.067882|3.204607|3.910116|4.364117|5.006897|0.117903|5.744929|3.937763|6.179367|5.246770|3.384696|3.711097|3.147016|7.983791|6.960182|8.046747|13.825060|36.858105| |1.879837|1.954682|2.209378|3.024131|2.462863|4.963623|3.166434|2.162340|2.390390|2.709513|4.411592|0.092550|2.947109|2.429769|4.069236|5.404579|6.322024|7.466551|0.157032|7.808756|5.209996|7.577164|7.050883|4.196961|4.459845|3.602236|13.720512|7.956264|6.880397|7.885226|13.828523|36.858105| |1.574504|1.623318|1.776867|2.436545|1.935652|3.755445|2.544092|1.791925|1.985957|2.221768|3.388509|0.069616|2.270936|1.937147|3.033282|3.506426|3.688818|3.908790|0.093551|4.710367|3.419130|5.520366|4.749977|3.259506|3.793748|3.325744|5.309078|4.687393|5.320364|8.165990|14.353842|8.201937|97.533100| |2.833574|3.115685|3.764990|5.248518|4.424256|9.332024|5.248614|3.480257|4.011086|4.383695|7.921167|0.204773|4.578019|3.727639|6.442390|7.688631|12.839674|7.428308|0.198459|6.969256|4.436085|6.170566|6.895326|3.825068|3.602537|3.179082|5.697815|4.408087|3.525148|3.347200|3.837412|5.049250|7.486044|36.858105| |2.973840|3.400065|4.073084|5.973378|5.003340|9.778108|6.040562|4.174603|5.159826|5.485673|9.515374|0.271771|4.903284|4.080528|6.965430|6.556216|7.977088|5.157473|0.139299|5.520224|3.753102|5.420600|6.040893|3.583029|3.415409|3.148273|4.232017|3.454495|2.908019|2.825414|3.217110|4.002152|6.572852|15.790530|73.516695| |2.944187|3.094910|3.643701|4.749228|3.775738|7.872722|4.390725|2.938540|3.269394|3.410058|5.700617|0.139809|3.561850|3.075696|4.502794|5.354424|8.238116|7.073867|0.215594|6.369526|3.859757|5.548556|5.534413|3.182158|3.057758|2.716652|6.133874|5.128028|4.033667|3.682433|4.031220|5.093938|7.608000|14.635251|15.357369|73.516695| |3.304947|3.398997|3.803244|4.772010|3.550002|6.977380|4.103552|2.840710|3.162454|3.123964|4.869971|0.118929|3.042912|2.763182|3.662971|3.955884|5.192812|4.628846|0.141296|4.724852|2.994515|4.495087|4.295089|2.616100|2.561703|2.355837|4.348140|3.992399|3.404572|3.158988|3.342189|3.878408|6.578200|8.069442|12.694511|23.563647|36.858105| |3.115749|3.015790|3.262405|3.967919|2.905029|5.697157|3.398289|2.348406|2.536450|2.510390|3.850165|0.090232|2.519789|2.326232|2.917295|3.215409|4.090799|4.094623|0.128651|4.292718|2.687325|4.129754|3.703466|2.292930|2.257153|2.073070|4.144597|4.196995|3.696402|3.312500|3.302872|3.630489|6.410931|5.283685|8.185858|14.263133|12.597107|36.858105| |17.543295|8.772433|6.812489|6.262287|3.716757|6.517632|4.063724|2.798603|2.695883|2.384332|3.447298|0.080900|2.409640|2.530367|2.289646|2.323842|2.621544|2.496653|0.077697|3.042577|2.009371|3.220994|2.778960|1.793406|1.691759|1.603108|2.248329|2.212072|1.975416|1.819058|1.843583|2.026828|3.792175|3.103207|5.708918|5.922391|3.875403|3.722172|0.500000| |17.552824|8.770727|6.814974|6.261897|3.670942|6.330339|4.050151|2.734623|2.512927|2.225469|3.207723|0.073725|2.331195|2.532261|2.101117|2.131456|2.346012|2.262126|0.069997|2.856617|1.905472|3.099899|2.607884|1.699018|1.582886|1.501267|2.017657|1.988789|1.778853|1.637778|1.657451|1.819376|3.422800|2.649610|4.842821|4.894109|2.995002|2.881098|0.301501|0.500000| |17.577399|8.802907|5.486090|5.628077|3.263195|5.455055|3.745959|2.667449|2.513175|2.181665|3.050421|0.069844|2.154404|2.319939|2.010935|1.996519|2.180723|2.065199|0.062669|2.579673|1.743625|2.836307|2.425396|1.600146|1.515531|1.454880|1.879334|1.842779|1.673708|1.563916|1.589259|1.728708|3.320286|2.510464|4.707240|4.633039|2.946654|2.819326|0.301991|0.302015|0.500000| |8.832701|17.534530|8.892295|9.709712|4.871204|7.478627|5.389284|3.961598|3.720890|3.008066|4.125462|0.097690|2.811261|3.081492|2.596785|2.485004|2.693353|2.415054|0.072230|2.980521|2.035667|3.253523|2.919903|1.914137|1.804845|1.741097|2.139769|2.023717|1.809877|1.711405|1.783545|1.983828|3.737284|3.227292|6.465353|5.662233|3.601104|3.117741|0.210262|0.172673|0.212436|0.500000| |8.869152|17.505474|8.868075|9.662612|4.755479|7.185410|5.342990|3.776700|3.274331|2.703150|3.727789|0.085664|2.684849|3.078344|2.329140|2.252390|2.396137|2.200337|0.065909|2.803752|1.926713|3.126939|2.721546|1.799390|1.673509|1.611956|1.938029|1.848758|1.655422|1.558151|1.613539|1.788029|3.382492|2.725174|5.277951|4.745243|2.864742|2.574259|0.173003|0.211063|0.213423|0.303118|0.500000| |6.889177|8.820902|17.549267|12.346911|6.812283|11.631753|6.407783|3.871639|3.351325|2.947755|4.428053|0.104697|3.335452|3.798050|2.741910|2.781506|3.044126|2.847611|0.088591|3.646942|2.427471|3.884287|3.348763|2.133049|1.926701|1.806842|2.393586|2.278978|1.975346|1.816925|1.877953|2.127959|3.848077|3.402313|6.281358|5.924604|3.377693|3.013313|0.169651|0.204397|0.140683|0.173634|0.210747|0.500000| |6.833993|8.834699|17.626267|12.560739|7.204334|13.012071|6.522436|4.095984|3.855283|3.369162|5.156672|0.129698|3.595118|3.816315|3.215129|3.258957|3.729904|3.355478|0.105537|4.053539|2.653410|4.130473|3.739133|2.332474|2.135856|1.996068|2.800890|2.624423|2.248049|2.069210|2.158496|2.478501|4.391055|4.565378|8.648320|8.053982|4.802387|3.988802|0.202266|0.167873|0.140074|0.212732|0.173606|0.303479|0.500000| |4.682449|7.340029|9.081184|26.043270|9.498705|10.974513|10.460668|6.983921|5.068259|3.887104|5.307650|0.123179|3.894807|4.941741|3.040285|2.826175|2.904830|2.545801|0.074636|3.293228|2.311275|3.710017|3.357850|2.214108|2.013817|1.941700|2.164194|1.995960|1.760374|1.671441|1.769881|2.006864|3.717495|3.258849|6.575640|5.282677|3.010772|2.560681|0.114989|0.120675|0.112529|0.189908|0.217906|0.202695|0.181046|0.500000| |3.235100|4.362130|4.826628|10.086516|7.015873|8.744014|12.380196|17.654141|8.907122|5.462925|6.350450|0.138375|4.401044|5.663374|3.458841|2.964939|2.889004|2.436811|0.068634|3.170782|2.311654|3.717192|3.500752|2.386848|2.196460|2.176157|2.097961|1.893930|1.689024|1.639930|1.769761|2.008236|3.787899|3.198494|6.777001|4.961350|2.785298|2.325668|0.084147|0.082842|0.082670|0.129393|0.124414|0.114605|0.119270|0.248234|0.500000| |2.559711|3.207437|3.626618|6.834060|5.712344|7.889673|12.574875|17.592710|8.816871|6.561925|7.063229|0.137332|5.275838|7.341072|3.743854|3.100240|2.863879|2.408670|0.066247|3.234022|2.440520|3.971951|3.764043|2.650769|2.400143|2.408742|2.068061|1.846379|1.650148|1.616069|1.760749|2.004383|3.799735|2.995256|6.183445|4.554848|2.462891|2.081262|0.067816|0.067515|0.065832|0.091936|0.090976|0.092029|0.093495|0.151911|0.305446|0.500000| |3.054952|3.867787|4.388969|7.865446|6.208959|9.134397|9.156636|8.832134|17.545666|8.906263|9.508411|0.227838|5.053323|5.113113|5.048380|3.965837|3.875896|3.018499|0.083019|3.736228|2.717603|4.218830|4.318062|2.879391|2.721358|2.699444|2.594369|2.266354|2.006278|1.972877|2.181899|2.527602|4.675654|4.644308|11.423872|6.705785|3.752108|2.906386|0.085043|0.076456|0.077530|0.121125|0.099406|0.101216|0.125143|0.148237|0.218447|0.173593|0.500000| |2.508809|3.086201|3.334035|5.810646|4.536566|6.772547|7.614138|8.874083|17.546913|8.992191|7.557290|0.150632|4.439558|4.678012|4.269032|3.294856|3.067815|2.485149|0.067324|3.191021|2.396323|3.827449|3.811287|2.691718|2.578022|2.658412|2.191741|1.933073|1.744946|1.738629|1.921910|2.182386|4.205963|3.394993|7.543433|5.082148|2.824073|2.312490|0.068514|0.064009|0.065485|0.094598|0.083578|0.080912|0.091232|0.120232|0.212726|0.217332|0.303834|0.500000| |2.229646|2.613631|2.942999|4.812248|4.097100|6.896672|6.463436|5.463924|8.911183|17.655325|12.375350|0.206235|5.676119|4.726679|7.874674|4.880826|4.148809|3.127789|0.080675|3.983230|3.098820|4.812734|5.343242|3.828856|3.749222|3.931875|2.741499|2.312961|2.070393|2.100667|2.409094|2.819099|5.313084|4.387064|9.859798|6.093849|3.167622|2.537535|0.062879|0.057741|0.057471|0.077891|0.068646|0.073335|0.085224|0.092573|0.124054|0.138466|0.214477|0.222712|0.500000| |2.159114|2.555525|2.924287|4.961704|4.424487|7.238888|7.964755|6.731971|8.714700|17.604412|12.327256|0.183328|7.455270|6.580278|6.413118|4.402438|3.653828|2.888938|0.075335|3.887370|3.095065|4.936334|5.232088|3.868394|3.516457|3.646680|2.478641|2.123642|1.894116|1.897284|2.140130|2.489949|4.683941|3.626918|7.559655|5.191070|2.673405|2.214645|0.059686|0.056918|0.055488|0.074073|0.068879|0.074714|0.081760|0.098080|0.138146|0.193021|0.172965|0.209119|0.302766|0.500000| |2.452900|2.825201|3.579583|5.726665|5.957658|13.149218|8.474517|4.628340|4.564865|5.591696|12.500356|0.230765|17.722596|8.830073|7.094500|7.435608|6.080458|4.823153|0.126008|7.139387|5.584602|8.168320|8.999626|5.166484|3.901709|3.426037|3.543580|2.951020|2.462863|2.353158|2.629029|3.244512|5.401949|5.033577|8.878754|6.975946|3.227632|2.692997|0.069099|0.066845|0.060534|0.077030|0.073845|0.096995|0.104647|0.102700|0.105827|0.117371|0.121020|0.102256|0.128046|0.147582|0.500000| |2.115046|2.439933|2.924683|4.773235|4.600355|8.563581|7.655617|4.777628|4.853499|6.770125|12.401192|0.181667|17.606523|8.783923|7.146225|5.886794|4.466253|3.612041|0.092245|5.311773|4.513280|7.160282|7.812016|5.608537|4.241660|3.960095|2.917360|2.457778|2.133846|2.100420|2.369857|2.838612|5.051895|3.880237|7.248532|5.520122|2.673967|2.261684|0.058886|0.057280|0.053418|0.067820|0.065310|0.078333|0.082933|0.090777|0.104999|0.132164|0.117611|0.112656|0.150030|0.213858|0.300619|0.500000| |2.340367|2.811517|3.363317|5.972264|5.794884|9.101015|12.682837|7.537266|5.759461|6.176849|8.428617|0.149827|8.812157|17.618886|4.362474|3.726498|3.278217|2.776379|0.075289|3.921848|3.054968|5.005310|4.726249|3.330065|2.817796|2.746263|2.307637|2.033764|1.790990|1.743409|1.909535|2.211035|4.080427|3.174188|6.196164|4.741150|2.436301|2.079231|0.063052|0.063507|0.059206|0.077384|0.078067|0.090135|0.089392|0.121118|0.152810|0.241718|0.128973|0.132934|0.128159|0.200238|0.177239|0.227574|0.500000| |2.581358|3.073736|3.908388|6.762197|7.224409|12.735386|12.507835|5.719926|4.537361|4.729725|7.696383|0.150976|8.982084|17.633120|4.170013|3.967583|3.635635|3.177342|0.088454|4.599693|3.466980|5.632789|5.082548|3.354574|2.752672|2.571553|2.543153|2.256663|1.947826|1.856335|2.009954|2.351566|4.203507|3.442373|6.415595|5.204270|2.619130|2.253905|0.069699|0.071554|0.063819|0.081471|0.084291|0.109807|0.104012|0.129390|0.129990|0.154228|0.113822|0.103567|0.104652|0.134737|0.232279|0.198339|0.304460|0.500000| |2.225348|2.518156|2.905208|4.452394|3.851570|7.232976|5.410491|3.925698|5.148038|7.300733|12.465974|0.230701|5.624402|4.129124|17.724702|8.905633|6.945178|4.531845|0.109511|5.430875|4.221268|6.132514|7.958797|5.164077|5.206327|4.953973|3.913785|3.079648|2.688170|2.754779|3.311172|4.144727|7.164132|6.897637|14.460405|8.534363|4.011329|3.114817|0.064584|0.058047|0.056640|0.073756|0.064400|0.073457|0.088493|0.081913|0.094063|0.097771|0.149295|0.123367|0.244684|0.159382|0.145946|0.145258|0.103985|0.098127|0.500000| |1.985945|2.241792|2.596794|4.037754|3.592777|6.756413|5.370054|3.793965|4.590974|7.110106|12.426535|0.183796|6.940314|4.590205|17.756738|8.793258|5.627345|4.112245|0.098141|5.558232|4.818443|7.209237|10.093778|7.832954|7.026889|6.698840|3.501700|2.796864|2.456894|2.516152|2.997043|3.691461|6.559815|4.762103|8.957572|6.449021|3.051772|2.521525|0.056668|0.052790|0.050700|0.064211|0.058679|0.067644|0.076655|0.075932|0.088293|0.100173|0.119833|0.111794|0.207823|0.188550|0.170536|0.213512|0.119925|0.108968|0.303239|0.500000| |2.021578|2.106578|2.497554|3.401192|2.886961|6.227101|3.634644|2.305366|2.363179|2.639384|4.531335|0.094752|3.522133|2.935388|3.688584|5.178369|5.754715|9.064689|0.221843|25.985552|9.725630|14.187165|8.119648|4.341254|3.616613|2.908349|6.828086|5.938233|4.366711|3.777937|4.000873|5.071426|7.348015|4.190585|6.070387|7.206844|3.135729|2.964312|0.059385|0.056361|0.050531|0.056861|0.054168|0.070460|0.076495|0.062130|0.058942|0.059859|0.067437|0.058387|0.070572|0.069613|0.120061|0.092941|0.071960|0.084815|0.091735|0.094068|0.500000| |1.752558|1.938982|2.241455|3.402462|3.004491|5.787569|4.441820|3.007638|3.273980|4.362396|7.273319|0.121214|5.722220|4.025754|6.818767|6.641767|4.558396|3.881032|0.091847|5.983905|6.012651|9.955882|12.245424|17.586717|8.862976|7.191637|3.339574|2.721112|2.404889|2.453076|2.880637|3.480844|6.292134|3.600144|6.255375|5.271670|2.492542|2.167223|0.049740|0.047519|0.044839|0.054299|0.051404|0.060388|0.065287|0.064766|0.071721|0.082531|0.085220|0.081941|0.118165|0.128056|0.157096|0.202992|0.107883|0.103977|0.144399|0.256668|0.103690|0.500000| |1.638429|1.773224|2.038960|2.993126|2.584094|5.092642|3.653705|2.445753|2.601691|3.215273|5.299628|0.096195|4.171984|3.188630|4.823343|5.693726|4.326922|4.140960|0.095740|6.960355|7.992671|15.813811|12.722173|17.694350|8.949881|6.057788|3.701286|3.024254|2.683923|2.745592|3.226300|3.877885|6.969942|3.298159|5.437841|5.065329|2.368380|2.124591|0.046831|0.044820|0.041954|0.049221|0.046871|0.055759|0.059840|0.056799|0.060127|0.066569|0.069825|0.065805|0.088094|0.091158|0.125183|0.132164|0.084101|0.086702|0.111567|0.152260|0.124288|0.305625|0.500000| |1.601525|1.716817|1.932167|2.792006|2.333939|4.527263|3.233610|2.257273|2.525484|3.098190|4.888684|0.091823|3.346074|2.634628|4.917966|5.632938|4.548079|4.213368|0.094526|5.942311|5.499551|8.948522|9.400314|8.674734|17.676843|9.168312|4.315835|3.379054|3.131033|3.472185|4.518652|5.402269|10.620799|3.589105|5.866206|5.583297|2.612963|2.339923|0.046429|0.043173|0.041342|0.048564|0.044857|0.051757|0.057693|0.052845|0.056482|0.060338|0.069891|0.065147|0.091297|0.083858|0.096750|0.098891|0.069433|0.069374|0.129171|0.150186|0.105587|0.171658|0.206075|0.500000| |1.475137|1.596135|1.757918|2.584134|2.124496|3.949194|3.042691|2.226165|2.551897|3.164831|4.506733|0.082516|2.994734|2.447419|4.301506|4.002943|3.304076|2.916573|0.069964|3.980703|3.431988|5.777917|5.791011|5.471600|9.104320|17.730626|2.922126|2.442042|2.326101|2.565972|3.139762|3.456493|7.772848|2.913393|5.139791|4.532486|2.249717|2.001453|0.042334|0.039468|0.038555|0.045740|0.042168|0.046600|0.051597|0.049889|0.055723|0.060742|0.069067|0.068375|0.097861|0.088287|0.080897|0.090813|0.067037|0.062890|0.120311|0.142811|0.072746|0.142222|0.130687|0.218779|0.500000| |1.557265|1.712474|1.908830|2.875584|2.417811|4.456691|3.582824|2.619262|2.996551|3.931976|5.545046|0.095859|3.774299|2.993536|5.226894|4.460335|3.453500|2.952849|0.071438|4.155319|3.694616|6.230744|6.571311|6.890316|9.069691|17.673470|2.778476|2.319539|2.147836|2.281705|2.714136|3.095584|6.343489|3.011935|5.444732|4.543015|2.245302|1.965730|0.044253|0.041754|0.040514|0.048894|0.045556|0.050645|0.055416|0.055748|0.063925|0.072722|0.078202|0.079605|0.119019|0.115721|0.098067|0.121988|0.083649|0.075608|0.134556|0.199716|0.074966|0.214671|0.154347|0.173425|0.289448|0.500000| |2.142817|2.133703|2.438652|3.138669|2.495303|5.197917|3.039763|2.004749|2.094122|2.231113|3.621749|0.079373|2.587218|2.278829|2.914337|3.705377|4.690228|7.067083|0.225231|7.701784|4.162205|6.427287|4.868212|2.873719|2.721139|2.327641|8.901229|17.705981|8.932751|5.643573|4.996288|5.649088|8.339113|4.208690|5.917855|8.872798|3.968595|4.294146|0.065406|0.059151|0.053863|0.058168|0.053642|0.067704|0.077228|0.057194|0.053006|0.051254|0.062068|0.052671|0.061444|0.057312|0.081965|0.066884|0.056592|0.064044|0.079322|0.072684|0.170619|0.071110|0.078150|0.082131|0.061287|0.059579|0.500000| |1.755899|1.732975|1.903784|2.474663|1.925767|3.838025|2.415010|1.645059|1.736319|1.845795|2.868426|0.061454|2.021977|1.804459|2.337433|2.794216|3.253220|4.099814|0.114359|4.892671|3.058468|5.013400|3.756345|2.392693|2.398547|2.104489|5.635361|8.921739|17.729566|8.943717|5.695728|4.956810|9.618306|3.046700|4.572799|6.223277|3.083509|3.463323|0.053234|0.048178|0.045262|0.047908|0.044134|0.052393|0.058877|0.046129|0.043842|0.042645|0.051119|0.044735|0.051920|0.047955|0.061622|0.053664|0.046008|0.050147|0.065330|0.060219|0.105735|0.059315|0.065791|0.074315|0.057241|0.053283|0.215957|0.500000| |1.556038|1.563168|1.698283|2.263791|1.767599|3.451411|2.274262|1.583276|1.707134|1.846127|2.814351|0.059080|1.942055|1.710126|2.372789|2.762011|3.058689|3.530252|0.091066|4.273193|2.896589|4.790383|3.745115|2.495689|2.662913|2.362183|4.923086|5.618221|8.838863|17.748342|8.954856|5.637752|16.678497|2.851672|4.402283|5.531699|2.775172|2.943255|0.046675|0.042182|0.040560|0.043911|0.040117|0.046044|0.051949|0.042621|0.041954|0.041363|0.049934|0.044560|0.053145|0.048163|0.057855|0.052543|0.044244|0.046722|0.067743|0.062421|0.087713|0.061152|0.068082|0.085742|0.066284|0.058365|0.123742|0.213007|0.500000| |1.864260|1.968297|2.228846|3.114963|2.566591|5.125364|3.362060|2.315681|2.609030|3.046088|4.988858|0.102297|3.246570|2.606745|4.918081|6.558061|6.931057|6.810372|0.140763|7.526251|5.530659|7.886512|8.394979|5.061662|5.721466|4.464896|8.818627|5.630555|4.959900|5.654116|9.017428|17.754340|16.936431|5.327758|7.735047|8.720221|3.762247|3.358482|0.055399|0.049876|0.047695|0.055868|0.050211|0.059151|0.068990|0.057572|0.059054|0.059749|0.076080|0.066122|0.089547|0.077566|0.097788|0.087930|0.066176|0.068988|0.140751|0.124695|0.129520|0.113701|0.123539|0.199387|0.117756|0.103233|0.123545|0.107658|0.124929|0.500000| |4.022074|4.208498|4.768290|5.766710|4.135405|8.006042|4.592692|3.161907|3.460994|3.277807|5.062285|0.127255|3.182236|2.980524|3.589223|3.754762|4.748921|4.159596|0.129261|4.449393|2.847322|4.309138|4.090833|2.508659|2.413126|2.238954|3.714045|3.432724|2.934077|2.717151|2.861388|3.307355|5.722200|7.233069|12.874069|16.505830|17.635641|8.796279|0.134099|0.098518|0.097078|0.125322|0.094949|0.112922|0.177830|0.098595|0.087600|0.074671|0.116982|0.084768|0.090179|0.077332|0.093010|0.076268|0.072299|0.078341|0.107225|0.083030|0.082322|0.067630|0.063208|0.067188|0.058972|0.060226|0.097281|0.075063|0.067151|0.090638|0.500000| |2.997590|3.130494|3.394372|4.419983|3.279770|6.227226|3.929841|2.813346|3.239953|3.209287|4.833365|0.115848|2.931735|2.648484|3.713240|3.831727|4.774757|4.090460|0.117617|4.289107|2.816841|4.260714|4.147652|2.589626|2.602884|2.435662|3.988430|3.594981|3.187136|3.082886|3.333940|3.800199|6.768142|7.238083|12.801777|16.516138|17.637200|8.802904|0.095409|0.074874|0.076087|0.094616|0.074537|0.083115|0.114054|0.079119|0.076604|0.068051|0.107786|0.081835|0.093249|0.075701|0.084217|0.072569|0.065891|0.068649|0.118180|0.086499|0.078776|0.068774|0.064538|0.073716|0.065358|0.064369|0.096015|0.079851|0.076225|0.105343|0.301724|0.500000| |3.221693|3.042098|3.150321|3.792393|2.700532|5.147209|3.182807|2.238188|2.409097|2.337769|3.485829|0.081003|2.287172|2.152741|2.600901|2.777789|3.382963|3.329211|0.102351|3.647997|2.339807|3.655329|3.243212|2.054064|2.034764|1.898030|3.367413|3.425422|3.140076|2.879401|2.855938|3.056043|5.709850|4.275732|7.086855|10.200595|8.923129|17.568416|0.108547|0.081455|0.082638|0.088602|0.072023|0.080267|0.104958|0.068958|0.062502|0.055257|0.076818|0.061885|0.065826|0.057544|0.066836|0.057362|0.054010|0.057838|0.077498|0.063331|0.070563|0.054488|0.053057|0.058257|0.051254|0.050350|0.097211|0.083591|0.073009|0.079870|0.210884|0.211803|0.500000| 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