Version2.0 2020-07-27T14:17:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 14-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCOc1ccc(cc1OCC)[C@@H]2c3c(n[nH]c3C(=O)N2CCCO)c4cc(cc(c4O)C)C C39911564 RHF 6-31G(d) (6D,7F) CCCCOc1ccc(cc1OCC)[C@@H]2c3c(n[nH]c3C(=O)N2CCCO)c4cc(cc(c4O)C)C C01[X(C28H35N3O5)] 207 C1 610 OCCCN1C(=O)c2c([C@H]1c1ccc(c(c1)OCC)OCCCC)c(n[nH]2)c1cc(C)cc(c1O)C OCCCN1C(=O)c2c([C@H]1c1ccc(c(c1)OCC)OCCCC)c(n[nH]2)c1cc(C)cc(c1O)C CCCCOc1ccc(cc1OCC)[C@H]2N(CCCO)C(=O)c3[nH]nc(c4cc(C)cc(C)c4O)c23 InChIKey=LDGJQAZVBTUYBK-AREMUKBSSA-N InChI=1S/C28H35N3O5/c1-5-7-13-36-21-10-9-19(16-22(21)35-6-2)26-23-24(20-15-17(3)14-18(4)27(20)33)29-30-25(23)28(34)31(26)11-8-12-32/h9-10,14-16,26,32-33H,5-8,11-13H2,1-4H3,(H,29,30)/t26-/m1/s1 InChI=1/C28H35N3O5/c1-5-7-13-36-21-10-9-19(16-22(21)35-6-2)26-23-24(20-15-17(3)14-18(4)27(20)33)29-30-25(23)28(34)31(26)11-8-12-32/h9-10,14-16,26,32-33H,5-8,11-13H2,1-4H3,(H,29,30)/t26-/m1/s1/f/h30H CCCCOc1ccc(cc1OCC)[C@@H]2c3c(n[nH]c3C(=O)N2CCCO)c4cc(cc(c4O)C)C C01[X(C28H35N3O5)] 207 C01 610 OCCCN1C(=O)c2c([C@H]1c1ccc(c(c1)OCC)OCCCC)c(n[nH]2)c1cc(C)cc(c1O)C OCCCN1C(=O)[C]2[C]([C]([N][NH]2)[C]2[CH][C]([CH][C]([C]2O)C)C)[C@H]1[C]1[CH][CH][C]([C]([CH]1)OCC)OCCCC CCCCO[C]1[CH][CH][C]([CH][C]1OCC)[C@@H]2[C]3[C]([N]N[C]3C(=O)N2CCCO)[C]4[CH][C](C)[CH][C](C)[C]4O InChIKey=LDGJQAZVBTUYBK-AREMUKBSSA-N InChI=1S/C28H35N3O5/c1-5-7-13-36-21-10-9-19(16-22(21)35-6-2)26-23-24(20-15-17(3)14-18(4)27(20)33)29-30-25(23)28(34)31(26)11-8-12-32/h9-10,14-16,26,32-33H,5-8,11-13H2,1-4H3,(H,29,30)/t26-/m1/s1 InChI=1/C28H35N3O5/c1-5-7-13-36-21-10-9-19(16-22(21)35-6-2)26-23-24(20-15-17(3)14-18(4)27(20)33)29-30-25(23)28(34)31(26)11-8-12-32/h9-10,14-16,26,32-33H,5-8,11-13H2,1-4H3,(H,29,30)/t26-/m1/s1/f/h30H 3890.8907089852 -1618.3214666 1-A 22302.5325 132 478 610 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4901.27 4907.64 5648.03 5714.55 5920.57 0.641004 0.675937 0.676881 0.568035 -1617.680462 -1617.645530 -1617.644585 -1617.753432 3.650746D-04 MUNgauss RevisionA2.0 retrievium 27-Jul-2020 DUDE CCCCOc1ccc(cc1OCC)[C@@H]2c3c(n[nH]c3C(=O)N2CCCO)c4cc(cc(c4O)C)C C39911564 RHF 6-31G(d) (6D,10F) C1 493.257672 |X|Y|Z| 89.077192 106.880822 54.260796 80.238750 20 6 7 17 3 |36.858105| |12.465882|36.858105| |7.487893|12.454072|36.858105| |4.887295|7.518167|12.547753|36.858105| |3.884276|5.096898|8.070748|13.560033|73.516695| |3.086236|3.888061|5.232812|7.998220|25.208920|36.858105| |2.831898|3.596576|4.400123|6.703809|14.021826|13.815294|36.858105| |2.346285|2.851143|3.334117|4.499609|9.223846|7.899280|13.676585|36.858105| |2.135198|2.516485|2.969603|3.777544|8.181446|6.807463|7.930021|13.858196|36.858105| |2.240811|2.613769|3.197655|3.981114|9.414490|7.919010|6.916794|7.980131|13.615040|36.858105| |2.643729|3.139299|4.078359|5.233574|14.524129|13.531024|7.929655|6.853483|7.862173|13.813385|36.858105| |2.711247|3.112959|4.131539|4.784057|13.127707|8.166990|5.297117|4.621087|5.174005|7.889686|14.163431|73.516695| |2.310590|2.559879|3.219339|3.540530|8.506565|5.231711|3.981617|3.789825|4.492283|6.703308|7.989560|24.118940|36.858105| |2.344659|2.510893|3.136866|3.222968|7.357349|4.083240|3.201191|2.979619|3.331970|4.404002|5.237022|14.383043|12.573932|36.858105| |1.826146|2.102358|2.401475|2.911347|5.984614|4.410828|4.997524|7.521828|12.524586|7.557505|5.009934|6.862412|3.676882|2.844983|36.858105| |1.742902|1.978595|2.268836|2.684816|5.590600|4.001369|4.207807|5.620202|8.949069|7.423418|4.832245|6.962389|3.956252|3.020024|17.555368|0.500000| |1.716903|1.970483|2.196344|2.636668|5.191688|3.662036|4.299287|6.180248|7.374248|5.078097|3.872155|5.541599|2.960247|2.399783|12.594640|0.246859|36.858105| |1.658469|1.892726|2.082275|2.465906|4.755533|3.241350|3.750127|4.912245|5.307839|4.097135|3.347265|4.949353|2.649840|2.204518|6.771345|0.164209|13.354557|36.858105| |1.538113|1.743898|1.883030|2.200876|4.142687|2.746536|3.183313|4.007739|4.106142|3.273253|2.775751|4.199426|2.255906|1.921704|5.099370|0.125229|8.567795|14.483068|53.358707| |1.512207|1.715059|1.848712|2.163801|4.067551|2.704529|3.162326|4.052515|4.149377|3.245222|2.730969|4.118733|2.214251|1.884403|5.411609|0.128207|8.739049|8.888186|19.473787|53.358707| |1.429161|1.611280|1.718051|1.989200|3.693307|2.410705|2.793189|3.451761|3.468404|2.803016|2.414385|3.700089|1.995381|1.722917|4.315260|0.105377|6.045620|6.190529|12.812666|26.108447|0.500000| |1.605612|1.832542|2.006784|2.380439|4.569941|3.126742|3.687669|5.034668|5.444460|3.999667|3.217544|4.734793|2.540076|2.113427|8.171652|0.175113|14.143108|8.683174|11.903463|19.510242|0.251139|36.858105| |1.605420|1.828361|2.009263|2.376011|4.590113|3.136343|3.643495|4.890398|5.402977|4.064058|3.261013|4.819549|2.599407|2.159090|7.951442|0.172617|8.133172|5.353853|7.103982|9.868164|0.171627|12.899067|36.858105| |1.511778|1.708379|1.853355|2.158985|4.101792|2.723357|3.116751|3.926679|4.143199|3.330385|2.792737|4.240816|2.299517|1.953464|5.361487|0.127308|5.448722|4.140288|5.828659|8.031875|0.158588|7.889735|15.907515|73.516695| |1.729131|1.978928|2.224329|2.660814|5.321716|3.766393|4.291551|6.002938|7.651471|5.497214|4.096289|5.872553|3.169496|2.541951|12.884224|0.252624|8.290197|5.121116|6.099446|7.297512|0.125291|8.553979|14.013280|14.739575|53.358707| |1.732663|1.967849|2.223166|2.619936|5.285192|3.653730|3.942691|4.974082|6.110133|5.193940|4.051929|6.011279|3.298963|2.661087|7.399578|0.184636|5.135515|3.709689|4.551265|5.249515|0.095903|5.245901|7.767997|11.804473|17.898215|36.858105| |1.588595|1.771128|1.998814|2.287569|4.639150|3.100357|3.172222|3.780595|4.721732|4.512857|3.574376|5.632915|3.291529|2.688165|5.772215|0.172795|4.268331|3.274634|4.035923|4.525629|0.083980|4.257602|5.612741|9.098824|10.426485|12.459593|36.858105| |1.556200|1.715820|1.929523|2.163740|4.356278|2.810591|2.801010|3.151379|3.708273|3.744174|3.197186|5.271019|3.114777|2.641265|4.068448|0.118736|3.214322|2.608698|3.277631|3.620484|0.068923|3.228302|4.060067|7.067701|6.778549|7.538046|12.539850|36.858105| |1.438119|1.565536|1.753147|1.931130|3.876528|2.452523|2.406259|2.663258|3.124865|3.238874|2.810216|4.792338|2.934962|2.554724|3.441841|0.104482|2.827144|2.371852|2.992912|3.248091|0.062261|2.810573|3.354572|5.846755|5.346658|5.102817|8.061374|13.578777|73.516695| |1.691570|1.921237|2.120621|2.484361|4.806714|3.215951|3.578754|4.353205|4.675777|3.943547|3.340156|5.048094|2.712931|2.276415|5.205664|0.138019|7.216646|12.882851|10.653338|7.297438|0.119791|5.219006|3.855075|5.611801|5.328589|3.076840|2.815487|2.316554|3.823666|36.858105| |1.812773|2.060261|2.325990|2.728952|5.456945|3.694435|3.917740|4.623943|5.254162|4.759763|3.999344|6.041389|3.261973|2.677566|5.367209|0.150778|6.152849|7.667498|7.033986|5.612783|0.095155|4.365402|3.523207|5.145074|5.218031|3.120718|2.900568|2.401619|3.984445|13.611067|36.858105| |1.810505|2.031893|2.286631|2.612436|5.181966|3.346907|3.395773|3.709890|4.052494|3.978128|3.597817|5.742158|3.138124|2.665750|3.947776|0.113194|4.260585|5.057386|5.333471|4.388659|0.077628|3.323334|2.811224|4.257289|4.129861|2.597826|2.469355|2.112776|3.565887|7.833677|13.853129|36.858105| |1.684518|1.872029|2.056411|2.309068|4.429769|2.776884|2.863730|3.084464|3.231700|3.110703|2.884389|4.686526|2.560855|2.251748|3.222041|0.090767|3.613291|4.481411|5.106800|4.119549|0.074529|2.976385|2.502231|3.871028|3.548150|2.248197|2.142587|1.858422|3.156691|6.870451|8.036945|13.645905|36.858105| |1.585022|1.764099|1.908123|2.150977|4.051532|2.547645|2.711508|2.982798|3.064081|2.833335|2.597362|4.166399|2.264215|1.995252|3.163576|0.087189|3.761704|5.015856|6.024655|4.622111|0.084045|3.181561|2.594853|4.032690|3.558956|2.219569|2.097411|1.810671|3.063612|7.849240|6.878058|7.842975|13.836792|36.858105| |1.588284|1.784896|1.933952|2.219087|4.189045|2.699471|2.965869|3.414378|3.512254|3.091111|2.746109|4.288572|2.315758|2.004614|3.787503|0.101799|4.909129|7.566778|8.930201|6.151042|0.108087|4.078135|3.136838|4.780591|4.206718|2.530297|2.351890|1.989462|3.327291|13.652457|7.935873|6.801376|7.961643|13.591012|36.858105| |1.478768|1.654186|1.764632|2.009813|3.727483|2.371873|2.633487|3.018679|3.036585|2.651792|2.378777|3.741200|2.021296|1.772780|3.329693|0.088273|4.369955|6.484825|9.649834|6.505489|0.119609|3.972043|3.038860|4.749339|3.906987|2.362013|2.191639|1.868502|3.126632|7.882789|5.204784|4.600208|5.314059|8.198288|14.188740|73.516695| |1.463058|1.609577|1.711057|1.894595|3.503351|2.152130|2.280390|2.456233|2.481041|2.317686|2.167865|3.540962|1.931077|1.740176|2.556519|0.070344|2.984387|3.788913|4.942161|3.941983|0.074366|2.659527|2.220306|3.538832|2.996587|1.906690|1.814021|1.592702|2.713413|5.013217|4.452623|4.988296|7.549287|12.626108|7.587047|12.441767|36.858105| |1.908672|2.121318|2.433889|2.725579|5.550870|3.494054|3.320439|3.448955|3.822343|4.108602|3.896902|6.566130|3.672969|3.149929|3.545061|0.104335|3.519313|3.808052|4.182037|3.637958|0.065504|2.824590|2.511860|3.856966|3.785755|2.480798|2.400537|2.097525|3.574894|4.983702|7.554598|12.605654|7.537624|5.003183|4.417849|5.992343|3.773764|36.858105| |17.541088|8.777312|6.788262|4.516764|6.690237|2.995908|2.712780|2.266250|2.087341|2.211472|2.612680|4.841534|2.338930|2.407463|1.790830|0.047690|1.667349|1.596744|2.016498|1.995466|0.038534|1.564805|1.580462|2.656491|2.327092|1.735224|1.599287|1.583850|2.604844|1.618083|1.735539|1.725427|1.598190|1.503954|1.512519|2.506151|1.386516|1.825535|0.500000| |17.541605|8.777677|6.788429|4.516999|6.690058|2.997719|2.713476|2.267705|2.089645|2.214386|2.615879|4.847873|2.342418|2.410682|1.792062|0.047870|1.689163|1.643956|2.067158|2.016926|0.038824|1.568821|1.557712|2.597445|2.286614|1.675240|1.548958|1.512210|2.502237|1.696481|1.832714|1.855113|1.729142|1.613101|1.599794|2.634513|1.491308|1.979705|0.301690|0.500000| |17.553361|8.777785|5.461578|4.055121|5.810420|2.704108|2.552818|2.154204|1.956138|2.023489|2.336413|4.205921|2.049191|2.069074|1.696136|0.044891|1.611757|1.565610|1.994559|1.963279|0.038081|1.519903|1.517217|2.555644|2.201188|1.615855|1.482302|1.452905|2.391567|1.593073|1.688784|1.686319|1.586261|1.505355|1.508537|2.517800|1.402045|1.759405|0.301637|0.301645|0.500000| |8.866576|17.508571|8.844402|6.897949|8.382353|3.753662|3.597032|2.867364|2.500035|2.553559|3.017038|5.215284|2.429459|2.356305|2.099618|0.054452|1.967200|1.874071|2.369207|2.355017|0.045355|1.851976|1.865699|3.122718|2.734789|2.010906|1.793448|1.746030|2.811594|1.873614|1.983979|1.929903|1.781645|1.697980|1.736976|2.886578|1.551848|1.986927|0.210874|0.173041|0.213041|0.500000| |8.866704|17.509548|8.844889|6.898691|8.382052|3.757202|3.598610|2.870270|2.503964|2.558024|3.021949|5.223215|2.433369|2.359336|2.101586|0.054718|2.003038|1.951132|2.451950|2.390251|0.045827|1.858586|1.828829|3.028616|2.670164|1.919753|1.723778|1.652021|2.684631|1.997514|2.131908|2.115321|1.967307|1.858734|1.871926|3.086300|1.702016|2.188984|0.173039|0.210888|0.213040|0.303807|0.500000| |6.845049|8.820849|17.541280|8.948150|13.155380|4.939821|4.052526|3.155220|2.882469|3.163509|4.050376|7.589518|3.353849|3.343247|2.345828|0.062370|2.155208|2.067803|2.529523|2.455564|0.046455|1.948788|1.930416|3.150580|2.910948|2.121543|1.935170|1.859739|3.038177|2.145259|2.388294|2.397544|2.152946|1.968668|1.966294|3.162293|1.764592|2.609913|0.168595|0.203031|0.140031|0.173272|0.211005|0.500000| |6.844977|8.820817|17.540196|8.947013|13.157271|4.931923|4.050346|3.151401|2.876515|3.155123|4.038664|7.565444|3.343696|3.334699|2.343115|0.061977|2.110726|1.976654|2.438891|2.417384|0.045965|1.941178|1.973991|3.257066|2.995384|2.246740|2.035483|1.997236|3.226251|1.993768|2.185393|2.136787|1.915815|1.780391|1.811441|2.948275|1.598694|2.285423|0.203026|0.168593|0.140030|0.210999|0.173276|0.303487|0.500000| |4.527938|6.837535|8.837038|17.527862|16.527611|7.091106|6.788155|4.600888|3.749545|3.806774|4.764310|7.523720|3.236489|2.927508|2.920072|0.073700|2.640200|2.433406|2.995282|2.996130|0.056544|2.432898|2.470311|4.030859|3.743437|2.739352|2.347772|2.235724|3.501433|2.391163|2.567635|2.412470|2.149987|2.038107|2.133775|3.483687|1.804764|2.463944|0.119610|0.111178|0.108385|0.205895|0.170205|0.174155|0.213066|0.500000| |4.526996|6.834706|8.835436|17.530722|16.530754|7.117473|6.799915|4.613623|3.763577|3.822556|4.785187|7.549742|3.246514|2.933919|2.925787|0.074381|2.729944|2.611798|3.169952|3.070596|0.057476|2.448255|2.385982|3.832766|3.581520|2.519744|2.196538|2.046459|3.263146|2.669747|2.919873|2.813244|2.506996|2.339130|2.403504|3.857049|2.057245|2.890972|0.111156|0.119601|0.108361|0.170114|0.205811|0.213094|0.174132|0.300911|0.500000| |3.048140|4.010195|4.692207|7.468510|12.565898|8.942415|17.767056|8.948264|5.664628|4.978774|5.635529|7.592842|3.323309|2.803506|4.087833|0.096737|3.753959|3.401641|4.077010|4.055672|0.074479|3.359185|3.298154|5.160007|5.019287|3.409584|2.773193|2.496215|3.842847|3.256067|3.443099|3.057666|2.671038|2.570726|2.795188|4.506559|2.206234|2.959422|0.079797|0.079772|0.077028|0.113970|0.113895|0.115879|0.115960|0.228111|0.227488|0.500000| |2.197221|2.653339|2.983356|3.911582|7.456091|5.645578|8.931972|17.729983|8.938418|5.652895|4.943040|6.517727|3.130941|2.551895|6.931463|0.140412|6.707560|5.373139|6.221357|6.462576|0.111691|5.860068|5.469627|7.779973|8.251810|4.751479|3.564509|2.964592|4.463234|4.465874|4.373792|3.483256|3.004297|3.013896|3.551702|5.753685|2.507122|3.121693|0.058699|0.058730|0.056888|0.075082|0.075147|0.078076|0.078004|0.113913|0.114150|0.217523|0.500000| |2.042484|2.326393|2.803253|3.325455|7.601135|5.635723|4.977078|5.678210|8.917434|17.747403|8.961844|12.619066|7.503930|4.709264|7.079138|0.231124|4.767254|3.884694|4.253633|4.218497|0.074773|3.797023|3.894635|5.729233|7.171821|5.153759|4.955948|4.059682|6.432324|3.775343|4.601605|3.912388|3.051439|2.759115|2.983339|4.550871|2.264507|4.140051|0.056379|0.056461|0.051480|0.062992|0.063106|0.078061|0.077846|0.088359|0.088695|0.108002|0.124417|0.500000| |2.147582|2.375468|2.924731|3.238799|7.535101|4.772018|3.815347|3.768837|4.602380|6.793303|7.095760|16.529730|17.534710|8.847065|3.887206|0.118060|3.031561|2.643703|3.085362|3.083294|0.056807|2.637177|2.774620|4.378974|4.702707|3.755908|3.861037|3.721215|6.209578|2.631943|3.088215|2.891561|2.386873|2.151465|2.235542|3.508395|1.842469|3.250622|0.060828|0.059715|0.053402|0.063792|0.062520|0.082381|0.085361|0.085145|0.082179|0.088489|0.087165|0.228870|0.500000| |2.151775|2.379876|2.929952|3.242761|7.535971|4.769583|3.811875|3.764650|4.597581|6.785219|7.091615|16.529118|17.534570|8.848501|3.875208|0.119787|3.155481|2.866559|3.268305|3.156231|0.057624|2.647862|2.647643|4.116975|4.372293|3.226712|3.260493|2.987055|5.082650|3.006655|3.745750|3.653955|2.897988|2.508764|2.544722|3.882248|2.109729|4.459394|0.059740|0.061045|0.053503|0.062525|0.064015|0.085782|0.082290|0.082018|0.085525|0.088435|0.087092|0.228580|0.301000|0.500000| |2.483215|2.637648|3.316263|3.326186|7.508339|4.008850|3.137916|2.869912|3.131708|4.025108|4.886313|12.968270|8.867462|17.581204|2.664627|0.077739|2.303743|2.158826|2.562667|2.484563|0.046405|2.022240|2.032521|3.268873|3.207993|2.413241|2.403562|2.333119|4.006971|2.270566|2.690630|2.750227|2.333082|2.042500|2.021543|3.164408|1.786593|3.336021|0.070197|0.072270|0.060479|0.067441|0.069260|0.101835|0.096299|0.081779|0.085135|0.077390|0.068688|0.115648|0.173421|0.212192|0.500000| |2.476789|2.631623|3.308656|3.321787|7.507097|4.010006|3.139642|2.871568|3.132987|4.026444|4.887229|12.967521|8.867053|17.580474|2.668339|0.077256|2.254054|2.058604|2.471481|2.448402|0.045973|2.017360|2.088165|3.395268|3.331648|2.611956|2.615915|2.636408|4.493993|2.095548|2.413173|2.377485|2.040521|1.835356|1.855737|2.951869|1.615419|2.729706|0.071981|0.070092|0.060335|0.069037|0.067378|0.096278|0.101325|0.084872|0.081830|0.077421|0.068720|0.115676|0.212147|0.173430|0.301081|0.500000| |2.080698|2.199608|2.663917|2.725946|5.977377|3.381158|2.773982|2.655810|3.000615|3.846611|4.240928|10.257625|8.875067|17.553045|2.665018|0.080005|2.267185|2.092083|2.498224|2.452273|0.045938|2.011040|2.057476|3.329530|3.272353|2.526936|2.628477|2.608848|4.614176|2.160253|2.523844|2.526058|2.153564|1.912719|1.915778|3.024551|1.678489|2.979699|0.059367|0.059449|0.051676|0.057764|0.057840|0.078364|0.078177|0.069914|0.070061|0.068182|0.064293|0.118714|0.212615|0.212651|0.300289|0.300283|0.500000| |1.904728|2.183337|2.510361|3.001733|6.199047|4.384553|4.635954|5.691761|6.989255|6.249110|4.922684|7.110919|3.791718|2.994210|6.913764|0.170787|4.675727|3.484169|4.198501|4.670914|0.085304|4.499751|5.903325|9.054532|12.552385|17.574257|8.810685|6.853328|8.382772|2.990457|3.120194|2.628998|2.252279|2.191002|2.461749|4.037184|1.878618|2.561756|0.053201|0.050949|0.048932|0.062078|0.058602|0.065982|0.071074|0.087794|0.078640|0.108241|0.141488|0.163980|0.121740|0.099789|0.074623|0.082575|0.077438|0.500000| |1.673330|1.895119|2.106006|2.461828|4.828515|3.244664|3.559845|4.345411|4.834948|4.130045|3.439264|5.211392|2.832268|2.360471|5.585776|0.137745|4.427605|3.338203|4.272748|5.059517|0.095580|4.876814|7.596597|13.756304|12.707294|17.621014|8.837939|6.892343|8.348686|2.763159|2.739243|2.315326|2.046285|2.045319|2.329025|3.946202|1.784573|2.200889|0.046630|0.044664|0.043656|0.054366|0.051337|0.055364|0.059225|0.072663|0.065815|0.088806|0.121173|0.111650|0.088148|0.076399|0.060003|0.065210|0.062426|0.302835|0.500000| |1.470036|1.630251|1.816534|2.063314|4.111856|2.710542|2.813939|3.358757|4.069681|3.783860|3.054488|4.858322|2.839201|2.373307|5.228053|0.157020|4.221043|3.289542|4.163162|4.761087|0.089553|4.418344|5.879341|9.984458|9.520696|8.849210|17.561670|8.924878|12.966913|2.787507|2.799195|2.382481|2.098656|2.083247|2.353649|3.955558|1.814182|2.279821|0.040972|0.039894|0.038343|0.045849|0.044363|0.049027|0.051059|0.058725|0.055673|0.069610|0.090830|0.114346|0.089911|0.079543|0.059823|0.063874|0.065072|0.173311|0.211598|0.500000| |1.618093|1.800842|2.054708|2.347066|4.854297|3.267512|3.251622|3.856817|5.089899|5.184716|3.944306|6.275193|3.806478|3.021414|6.204256|0.209938|4.400867|3.408474|4.073301|4.409879|0.080578|4.105200|4.949665|7.650000|9.368182|8.801196|17.541042|8.962680|13.280481|3.005721|3.193182|2.717422|2.314244|2.229456|2.480177|4.031076|1.907083|2.679490|0.045187|0.044141|0.041733|0.050139|0.048731|0.055874|0.058030|0.065782|0.062674|0.077627|0.098018|0.172036|0.126606|0.106977|0.074259|0.079968|0.082742|0.210742|0.173135|0.302858|0.500000| |1.676196|1.851645|2.105851|2.360727|4.815795|3.095572|3.011772|3.301234|3.859869|4.060407|3.559168|5.938800|3.499441|2.953578|3.958684|0.113941|3.077336|2.515345|3.127083|3.403346|0.064514|3.019133|3.700007|6.321936|6.305933|6.939520|8.847612|17.484994|16.466622|2.268220|2.388441|2.118515|1.852267|1.787548|1.947425|3.228077|1.570371|2.134372|0.047684|0.045121|0.043204|0.052394|0.049070|0.056113|0.061256|0.067947|0.061077|0.074019|0.084294|0.121138|0.119491|0.090246|0.071298|0.083334|0.080177|0.207279|0.172698|0.174028|0.211876|0.500000| |1.504740|1.657073|1.839720|2.057328|4.059466|2.589858|2.630651|2.945677|3.329070|3.255354|2.846989|4.675679|2.699089|2.336734|3.646208|0.102482|3.001512|2.459412|3.158233|3.543950|0.068604|3.121854|4.011687|7.393719|6.293040|6.836591|8.861068|17.501485|16.452345|2.165619|2.205691|1.945609|1.734307|1.707484|1.881356|3.183618|1.515759|1.913627|0.042564|0.040411|0.039257|0.047219|0.044347|0.048919|0.052864|0.059733|0.054172|0.066373|0.078852|0.094715|0.087098|0.071835|0.058151|0.065400|0.063812|0.167952|0.204906|0.214770|0.174563|0.301333|0.500000| |1.404760|1.519019|1.693220|1.845165|3.676154|2.287274|2.231565|2.423462|2.776988|2.894997|2.587071|4.482719|2.737408|2.444663|2.978129|0.088741|2.496584|2.129829|2.709494|2.928351|0.056632|2.492984|2.939921|5.205429|4.577274|4.283833|5.951483|9.824923|35.775887|1.949207|2.029151|1.837880|1.639753|1.591271|1.715587|2.879116|1.420925|1.853080|0.039951|0.038136|0.036561|0.042724|0.040540|0.045770|0.048991|0.052419|0.048503|0.056261|0.063648|0.088380|0.089869|0.073184|0.059942|0.068128|0.069297|0.113679|0.113904|0.152619|0.153657|0.226909|0.230640|0.500000| |1.893533|2.165130|2.491690|2.966485|6.141049|4.337473|4.523428|5.540871|7.020212|6.415224|4.964057|7.204829|3.887362|3.049185|6.932123|0.200592|6.963823|7.152096|6.524483|5.587636|0.094039|4.668690|3.904791|5.574511|6.143094|3.646980|3.365600|2.733563|4.482918|8.925383|17.760821|9.018778|5.696626|4.958058|5.654016|7.459845|3.560141|7.035245|0.050694|0.052960|0.048624|0.058043|0.061492|0.070709|0.065596|0.077572|0.086557|0.105347|0.137044|0.172252|0.102700|0.125854|0.083713|0.075726|0.079100|0.102716|0.086286|0.088160|0.105301|0.076061|0.068649|0.062826|0.500000| |1.655007|1.818268|1.986144|2.187395|4.166618|2.547846|2.577872|2.702331|2.809321|2.772638|2.638437|4.400135|2.421107|2.179214|2.763640|0.078301|3.010204|3.575356|4.226961|3.520626|0.064868|2.548874|2.197359|3.451219|3.118468|2.019306|1.942352|1.711746|2.930193|4.948061|5.691738|8.910363|17.683693|9.004135|5.660605|7.631669|7.027577|7.016873|0.043552|0.047572|0.043368|0.047760|0.053176|0.058341|0.051392|0.056240|0.065857|0.067480|0.072743|0.076037|0.062221|0.075884|0.063491|0.054824|0.058192|0.056483|0.051381|0.052793|0.058190|0.047578|0.044455|0.042566|0.124965|0.500000| |1.471219|1.651574|1.761930|2.020203|3.747373|2.406966|2.712943|3.182435|3.195581|2.722791|2.410662|3.753775|2.024436|1.764699|3.611410|0.093972|4.986492|7.715565|13.849574|8.337919|0.151920|4.711513|3.451989|5.369899|4.302559|2.549594|2.340472|1.975471|3.281459|7.699249|4.941476|4.135316|4.441163|6.060690|10.011604|35.524677|5.184385|3.120893|0.039082|0.040715|0.039154|0.045353|0.047942|0.048926|0.046181|0.055281|0.060235|0.072481|0.096977|0.072785|0.055458|0.060330|0.048826|0.046132|0.047013|0.067244|0.066919|0.066532|0.066571|0.052973|0.052850|0.047056|0.115728|0.101299|0.500000| |1.359375|1.488205|1.579195|1.741781|3.227199|1.984171|2.100376|2.282643|2.330845|2.174241|2.015066|3.303566|1.820738|1.644308|2.456841|0.068149|2.884453|3.648244|4.920393|3.943896|0.075341|2.621094|2.189046|3.515430|2.920813|1.860651|1.787072|1.568485|2.688345|4.601606|3.990153|4.279466|5.880094|8.851001|6.761709|12.526641|17.563456|3.334509|0.035975|0.038378|0.036259|0.040062|0.043437|0.045033|0.041300|0.046434|0.052002|0.056324|0.065016|0.059652|0.048716|0.055160|0.046567|0.042491|0.044382|0.050427|0.048560|0.050154|0.052054|0.042651|0.041565|0.039094|0.090800|0.152573|0.146878|0.500000| |1.479678|1.632741|1.717639|1.905121|3.471185|2.122202|2.278798|2.439793|2.407283|2.223674|2.098915|3.410844|1.838108|1.660978|2.458145|0.066448|2.885889|3.647469|4.907227|3.934655|0.075081|2.618628|2.185861|3.507454|2.919550|1.858241|1.748150|1.541255|2.609405|4.602419|3.990653|4.280215|5.881471|8.850194|6.760434|12.522209|17.563021|3.333638|0.038786|0.041767|0.039588|0.043863|0.048286|0.048961|0.044363|0.050647|0.057919|0.062186|0.070190|0.059599|0.048798|0.055124|0.047368|0.043172|0.044277|0.050957|0.048722|0.048515|0.050561|0.042289|0.041007|0.038069|0.090857|0.152657|0.146522|0.303527|0.500000| |1.455917|1.589213|1.687636|1.845947|3.411557|2.067310|2.153616|2.276432|2.303983|2.198959|2.087345|3.462240|1.896557|1.729865|2.336194|0.064869|2.644023|3.225103|4.150575|3.421947|0.064882|2.357719|2.013155|3.227492|2.749251|1.776917|1.703094|1.510347|2.587381|4.167145|3.987666|4.741037|7.261844|8.877350|5.584191|8.930695|17.575185|3.811588|0.038284|0.041500|0.038756|0.042295|0.046724|0.048755|0.043780|0.048496|0.055619|0.057940|0.063673|0.059956|0.049901|0.057671|0.049744|0.044497|0.046467|0.048972|0.046178|0.047095|0.049921|0.041561|0.039855|0.037787|0.090753|0.224525|0.111601|0.300833|0.300836|0.500000| |1.755305|1.921264|2.185682|2.398829|4.854369|3.005753|2.844063|2.966784|3.325744|3.604164|3.392899|5.904756|3.456164|3.043525|3.199000|0.096572|3.165348|3.401161|3.832065|3.367175|0.061260|2.598661|2.336942|3.627451|3.500700|2.325971|2.306605|2.030958|3.521668|4.314490|5.984950|8.820283|6.541652|4.535627|3.959648|5.533114|3.580689|17.527137|0.046963|0.050655|0.045124|0.050157|0.054697|0.065011|0.057744|0.060843|0.069635|0.071011|0.075449|0.104861|0.086058|0.117652|0.089160|0.072822|0.082336|0.066075|0.057500|0.061377|0.071943|0.057075|0.051360|0.050793|0.156945|0.182733|0.080067|0.090418|0.086319|0.102463|0.500000| |2.012732|2.228458|2.546312|2.808554|5.618577|3.410158|3.212561|3.208045|3.402076|3.649568|3.654613|6.288838|3.424950|3.047662|3.083134|0.088431|3.072168|3.322428|3.763299|3.298328|0.060143|2.532542|2.272768|3.535952|3.390009|2.250718|2.160708|1.920300|3.267338|4.237567|5.791323|8.829579|6.832802|4.629669|3.958609|5.535877|3.677425|17.546614|0.053002|0.058638|0.051490|0.057266|0.064518|0.077201|0.065577|0.069460|0.083943|0.081321|0.081147|0.099479|0.083088|0.111649|0.092209|0.074077|0.079270|0.065072|0.056193|0.056934|0.066032|0.054636|0.049076|0.047477|0.149285|0.198371|0.079585|0.088501|0.092027|0.106477|0.302276|0.500000| 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