Version2.0 2019-11-23T07:40:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1cc(c(s1)NC(=O)c2ccccc2)[C@@H](c3ccc(cc3)F)N4CCN(CC4)c5cccc[nH+]5 C01298717 RHF 6-31G(d) (6D,7F) CCc1cc(c(s1)NC(=O)c2ccccc2)[C@@H](c3ccc(cc3)F)N4CCN(CC4)c5cccc[nH+]5 C01[X(C29H30F1N4O1S1)] 192 C1 604 CCc1sc(c(c1)[C@@H](c1ccc(cc1)F)N1CCN(CC1)c1cccc[nH+]1)NC(=O)c1ccccc1 CCc1sc(c(c1)[C@@H](c1ccc(cc1)F)N1CCN(CC1)c1cccc[nH+]1)NC(=O)c1ccccc1 CCc1sc(NC(=O)c2ccccc2)c(c1)[C@H](N3CCN(CC3)c4cccc[nH+]4)c5ccc(F)cc5 InChIKey=SAYXWCIVKQNHQD-HHHXNRCGSA-O InChI=1S/C29H29FN4OS/c1-2-24-20-25(29(36-24)32-28(35)22-8-4-3-5-9-22)27(21-11-13-23(30)14-12-21)34-18-16-33(17-19-34)26-10-6-7-15-31-26/h3-15,20,27H,2,16-19H2,1H3,(H,32,35)/p+1/t27-/m1/s1 InChI=1/C29H29FN4OS/c1-2-24-20-25(29(36-24)32-28(35)22-8-4-3-5-9-22)27(21-11-13-23(30)14-12-21)34-18-16-33(17-19-34)26-10-6-7-15-31-26/h3-15,20,27H,2,16-19H2,1H3,(H,32,35)/p+1/t27-/m1/s1/fC29H30FN4OS/h31-32H/q+1 CCc1cc(c(s1)NC(=O)c2ccccc2)[C@@H](c3ccc(cc3)F)N4CCN(CC4)c5cccc[nH+]5 C01[X(C29H30F1N4O1S1)] 192 C01 604 CCc1sc(c(c1)[C@@H](c1ccc(cc1)F)N1CCN(CC1)c1cccc[nH+]1)NC(=O)c1ccccc1 CCc1sc(c(c1)[C@@H](c1ccc(cc1)F)N1CCN(CC1)[C@@H]1NC=CC=C1)NC(=O)c1ccccc1 CCc1sc(NC(=O)c2ccccc2)c(c1)[C@H](N3CCN(CC3)[C@@H]4NC=CC=C4)c5ccc(F)cc5 InChIKey=SLZFLXJZADGXNW-RRPNLBNLSA-N InChI=1S/C29H31FN4OS/c1-2-24-20-25(29(36-24)32-28(35)22-8-4-3-5-9-22)27(21-11-13-23(30)14-12-21)34-18-16-33(17-19-34)26-10-6-7-15-31-26/h3-15,20,26-27,31H,2,16-19H2,1H3,(H,32,35)/t26-,27+/m0/s1 InChI=1/C29H31FN4OS/c1-2-24-20-25(29(36-24)32-28(35)22-8-4-3-5-9-22)27(21-11-13-23(30)14-12-21)34-18-16-33(17-19-34)26-10-6-7-15-31-26/h3-15,20,26-27,31H,2,16-19H2,1H3,(H,32,35)/t26-,27+/m0/s1/f/h32H 3930.2144575756 -1905.0696657 1-A 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 6.3173 14.3291 23.2998 26.0676 31.7094 37.1389 38.8154 44.6940 51.6486 64.2855 73.3584 76.3634 83.9529 129.2403 130.2969 133.5019 165.6785 169.4048 189.3512 198.5478 214.8948 223.8066 230.2869 249.9998 255.6782 306.5760 317.9011 321.6157 330.6302 360.2062 386.3050 415.4278 422.2055 439.7741 449.7519 454.7020 461.9991 469.3428 474.2667 483.6256 490.0520 515.5276 530.4042 557.5165 569.3697 576.1552 583.4954 592.1648 630.0156 648.4706 672.5816 676.8788 685.9453 698.2012 705.8093 723.3693 739.9415 751.2639 762.2020 770.9184 787.2530 804.2690 815.3764 820.8965 844.5484 858.8443 863.2663 880.9626 898.9342 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5003.46 5563.69 5590.57 0.585341 0.615564 0.616508 0.517445 -1904.484325 -1904.454102 -1904.453158 -1904.552221 3.322589D-04 MUNgauss RevisionA1.9 retrievium 23-Nov-2019 DUDE CCc1cc(c(s1)NC(=O)c2ccccc2)[C@@H](c3ccc(cc3)F)N4CCN(CC4)c5cccc[nH+]5 C01298717 RHF 6-31G(d) (6D,10F) C1 501.212411 |X|Y|Z| 106.788608 83.197638 61.179436 81.610705 32 6 7 16 27 4 1 |36.858105| |12.426054|36.858105| |7.488682|12.649324|36.858105| |5.327896|7.438022|14.171402|36.858105| |4.061264|5.006806|8.126333|13.190975|36.858105| |4.043584|4.799379|7.644965|8.261628|14.165608|36.858105| |5.525942|6.723515|10.965852|7.492913|7.415199|10.940596|388.023441| |3.209410|3.592978|4.932341|5.176157|7.681319|13.533934|49.745765|53.358707| |2.712642|3.070792|3.983536|4.201517|5.777217|7.802600|36.982975|18.911502|36.858105| |2.648924|3.096221|3.984569|4.292589|5.731526|6.844857|34.424004|11.520059|15.878472|73.516695| |2.313500|2.525024|3.097981|3.194515|4.063127|5.063761|27.950050|10.660779|12.721703|14.327580|36.858105| |2.067428|2.261249|2.685595|2.734645|3.307130|3.924714|23.480419|7.108475|7.717571|11.989822|13.698947|36.858105| |1.831535|1.964373|2.274050|2.302019|2.706460|3.123680|19.429113|5.395635|5.077124|8.072770|7.921587|13.776631|36.858105| |1.778927|1.873935|2.160500|2.190454|2.572922|2.955658|18.376021|5.127160|4.457964|6.790655|6.859855|7.942154|13.738277|36.858105| |1.925604|2.013135|2.354919|2.403628|2.881194|3.354715|20.253255|6.067475|5.010978|7.137051|7.915507|6.871450|7.933106|13.751351|36.858105| |2.207676|2.338406|2.824078|2.911275|3.643816|4.420412|25.016071|8.923392|7.498184|9.431012|13.693829|7.929350|6.873586|7.943096|13.759460|36.858105| |3.158648|3.693034|5.044127|7.286295|12.563640|7.520750|33.487618|8.406275|5.303363|9.590149|3.945523|3.233068|2.681261|2.571384|2.887954|3.615050|36.858105| |2.820625|3.221232|4.280655|5.503396|9.024743|7.315952|31.412108|9.914237|6.601265|11.480445|4.824928|3.798047|3.090758|2.965291|3.383061|4.381540|17.528184|0.500000| |3.063978|3.379677|4.326298|5.898762|7.634023|5.458168|27.938617|6.455219|3.996313|6.868707|3.270754|2.714178|2.345681|2.321142|2.640612|3.202948|12.474258|0.249337|36.858105| |2.754989|2.908916|3.607797|4.440971|5.646738|4.789541|25.115912|6.298567|3.876459|6.328063|3.359323|2.740583|2.415665|2.460908|2.879463|3.482486|7.562656|0.206093|13.720190|36.858105| |2.555230|2.606756|3.075604|3.624629|4.170814|3.679537|21.098209|4.847096|3.059615|5.036145|2.767963|2.325807|2.107674|2.176675|2.526018|2.929066|5.003057|0.134048|7.873875|13.746478|36.858105| |2.593823|2.628507|3.007756|3.560902|3.811118|3.267190|19.632423|4.132008|2.645266|4.472941|2.375443|2.044934|1.859066|1.897464|2.152236|2.456192|4.436839|0.111997|6.883917|8.022729|13.841328|36.858105| |2.838916|2.949494|3.370620|4.165847|4.246464|3.436225|20.792366|4.152318|2.668818|4.628435|2.333424|2.025994|1.820393|1.825365|2.040111|2.342754|4.975163|0.116809|7.881760|6.887328|7.911837|13.810846|36.858105| |3.117766|3.405367|4.106573|5.555025|5.831830|4.288478|24.606569|4.966613|3.163521|5.573057|2.659458|2.285053|2.010119|1.986042|2.216653|2.602812|7.451950|0.155896|13.686769|7.980374|6.874705|8.011786|13.772027|36.858105| |2.332132|2.311503|2.557206|2.912736|3.034327|2.696623|16.851191|3.465611|2.256314|3.820073|2.074278|1.814442|1.676013|1.722552|1.939919|2.163872|3.389815|0.087831|4.653664|5.313398|8.171650|14.363951|8.171460|5.313248|97.533100| |2.864489|3.434321|4.394594|6.171399|7.732148|5.318000|27.648673|6.161718|4.346351|8.646172|3.362316|2.929113|2.454673|2.310141|2.505307|3.014848|12.939620|0.251699|7.690602|5.205898|3.954009|3.771485|4.428165|6.434748|6.759048|53.358707| |2.374784|2.735344|3.307460|4.247503|5.062833|3.975207|21.664444|5.039489|3.707191|7.245639|3.072029|2.734715|2.350117|2.232744|2.406196|2.821857|7.855163|0.199431|6.476461|4.939719|3.911310|3.729992|4.252307|5.667140|6.790482|17.918395|36.858105| |2.169502|2.503069|2.890779|3.572835|3.881498|3.173122|18.565561|4.004183|2.991114|5.933786|2.552120|2.358689|2.064069|1.948461|2.054026|2.342030|5.056019|0.128637|4.486538|3.622245|3.103888|3.102052|3.582299|4.440248|5.913577|10.595124|12.506181|36.858105| |2.150098|2.529269|2.894597|3.478538|3.706164|3.123309|18.726624|3.937738|3.032487|6.274681|2.568823|2.434621|2.112406|1.952581|2.020289|2.295044|4.430817|0.115226|3.690151|3.046482|2.615213|2.587388|2.937228|3.583411|5.023442|9.045341|7.683259|12.959564|53.358707| |2.487736|3.043449|3.557827|4.334159|4.527790|3.746168|22.538383|4.530957|3.475263|7.456955|2.817227|2.651523|2.247936|2.052268|2.126073|2.456559|5.052474|0.126789|3.893766|3.129569|2.634514|2.591119|2.964265|3.720675|4.986531|10.660418|6.707614|7.699607|17.532872|36.858105| |2.769872|3.415154|4.315933|5.561812|6.619399|5.188611|28.171122|6.133506|4.694991|10.440081|3.540615|3.196181|2.619523|2.386492|2.519526|3.018169|7.765206|0.192257|5.017925|3.894815|3.099958|2.946016|3.332836|4.379743|5.516971|17.834522|8.142649|6.679786|10.447743|12.552486|36.858105| |1.906170|2.210810|2.455488|2.839375|2.960434|2.591524|16.081380|3.325446|2.583034|5.285643|2.258367|2.192003|1.937816|1.789347|1.825488|2.031916|3.386978|0.090211|2.947381|2.530881|2.236378|2.226916|2.487865|2.907769|4.430279|6.179206|5.158570|7.780396|19.500584|7.773583|5.168131|36.858105| |1.826316|2.123518|2.321630|2.602041|2.676718|2.414338|15.398320|3.115994|2.453835|5.073483|2.165357|2.149617|1.906960|1.739809|1.748540|1.928847|2.919606|0.078713|2.524923|2.206117|1.961576|1.944361|2.146103|2.474733|3.911335|5.046749|3.906432|5.024416|10.619614|6.466051|4.453723|13.358631|36.858105| |1.626721|1.860139|1.998925|2.200566|2.248892|2.061817|13.367639|2.691013|2.112423|4.278977|1.908808|1.914924|1.730627|1.587779|1.584769|1.721701|2.429304|0.066041|2.162372|1.929098|1.746081|1.737824|1.898143|2.137105|3.548306|4.023834|3.145366|3.923036|7.100066|4.436790|3.385234|7.899140|14.047026|36.858105| |1.512035|1.704482|1.824514|2.014468|2.061756|1.884945|12.187901|2.472883|1.921999|3.817789|1.758087|1.753247|1.603437|1.489835|1.493416|1.611244|2.258800|0.061473|2.066097|1.862120|1.708729|1.712228|1.863336|2.064373|3.526685|3.696755|2.987458|3.785835|6.249472|3.712151|2.958612|6.750478|7.852037|13.421050|36.858105| |1.557616|1.751063|1.889273|2.119490|2.182792|1.966201|12.531139|2.573667|1.983247|3.911375|1.807157|1.777635|1.622674|1.520458|1.539538|1.668880|2.451176|0.066380|2.271700|2.037889|1.873490|1.887455|2.065199|2.287929|3.875249|4.072963|3.433017|4.601517|7.200900|3.934277|3.147551|7.915549|6.938399|8.090065|14.205310|36.858105| |1.733410|1.969888|2.160045|2.478387|2.575150|2.270361|14.188459|2.944253|2.262643|4.502488|2.023832|1.963771|1.767604|1.654232|1.690411|1.858234|2.968364|0.079542|2.711985|2.378598|2.151627|2.165237|2.402633|2.726092|4.369627|5.172393|4.532924|6.853155|11.182921|5.197528|3.973635|14.117139|8.118738|7.089910|8.092949|13.936956|53.358707| |1.746952|1.970635|2.168617|2.515387|2.624701|2.288782|14.176752|2.965464|2.251278|4.416081|2.016148|1.933113|1.744445|1.648894|1.700356|1.872291|3.095278|0.082452|2.903404|2.543770|2.316725|2.350247|2.620469|2.956441|4.735738|5.391556|4.977579|7.964920|10.340868|4.837271|3.900156|9.404235|5.846537|5.175711|5.906476|9.441556|26.056296|0.500000| |17.567869|8.776349|6.804774|5.434718|4.164267|4.005650|35.639509|4.342010|2.661012|4.574555|2.279904|2.016838|1.794439|1.760547|1.924748|2.209259|3.305130|0.081015|3.347708|3.017222|2.845383|2.937422|3.232251|3.487161|5.935170|4.010717|2.456831|2.225318|2.940625|2.461866|2.753122|1.905659|1.801757|1.605888|1.505647|1.564922|2.378903|0.049376|0.500000| |17.567136|8.747685|6.722046|4.752834|3.904821|4.142186|43.058523|4.581483|2.815441|4.794026|2.426421|2.161272|1.919027|1.871039|2.031708|2.328782|3.025790|0.076952|2.912655|2.690566|2.489871|2.472030|2.633424|2.873345|5.022995|3.666329|2.253831|2.041250|2.760441|2.334427|2.630330|1.804679|1.737658|1.553212|1.443233|1.482085|2.235810|0.045898|0.301586|0.500000| |17.563051|8.809485|5.486251|4.254255|3.349560|3.312309|30.607575|3.711304|2.371208|4.158045|2.058427|1.869738|1.674066|1.625312|1.742241|1.967805|2.720372|0.068116|2.656729|2.407678|2.269352|2.329779|2.547766|2.745461|4.800587|3.452022|2.145295|1.999232|2.713177|2.285193|2.476489|1.792168|1.730625|1.555572|1.449288|1.486309|2.231751|0.045788|0.300984|0.301823|0.500000| |8.842829|17.554831|9.046643|7.140681|4.668110|4.180970|36.469052|4.359149|2.802966|5.114101|2.321325|2.097188|1.832251|1.747807|1.869066|2.154197|3.635318|0.086410|3.380426|2.848164|2.577965|2.663223|3.072596|3.555368|5.279860|4.804172|2.817956|2.635722|3.620692|3.202558|3.471508|2.326483|2.223138|1.944271|1.784847|1.839644|2.825076|0.057775|0.210692|0.172745|0.213638|0.500000| |8.840596|17.540496|8.933587|5.808332|4.330817|4.353725|44.720585|4.614063|2.992257|5.440243|2.480863|2.264315|1.967772|1.857831|1.969020|2.268126|3.284859|0.081785|2.943501|2.575390|2.309957|2.307006|2.551442|2.920279|4.615522|4.257771|2.530112|2.350174|3.307741|2.944908|3.245781|2.154190|2.110029|1.855891|1.686037|1.711885|2.598926|0.052514|0.172977|0.210404|0.213268|0.303955|0.500000| |4.922716|6.659120|8.967657|17.752491|8.582967|5.747606|37.841071|5.587956|3.510414|6.485660|2.773671|2.424969|2.076018|1.982680|2.158133|2.559505|6.569877|0.135192|5.845322|4.246177|3.585984|3.699806|4.592937|6.274214|6.815287|8.627987|4.423433|3.861005|5.024321|4.549301|5.417749|2.999425|2.706041|2.285057|2.105559|2.235395|3.584332|0.074841|0.144076|0.116771|0.114486|0.208358|0.144870|0.500000| |3.147013|3.367635|4.428743|4.449537|5.976513|9.284422|45.461539|26.050094|9.380074|10.907631|7.500512|4.976798|3.977073|3.961366|4.916565|7.372509|4.993068|0.158610|4.253782|4.411758|3.526955|2.972938|2.908749|3.354029|5.697473|5.116643|3.197672|2.593787|3.440851|2.843214|3.663746|2.174412|2.046157|1.793448|1.663025|1.729217|2.662304|0.054916|0.087514|0.093934|0.074405|0.082688|0.088233|0.100512|0.500000| |2.080323|2.314329|2.737067|2.780270|3.312620|3.871782|23.623753|6.601797|7.243289|13.385109|8.946446|17.753260|8.902525|5.643207|4.954112|5.652730|3.208306|0.102626|2.639429|2.592516|2.200774|1.965957|1.978366|2.250028|3.922783|4.088974|2.780357|2.437991|3.515352|2.857367|3.416022|2.336118|2.329036|2.063342|1.862322|1.869197|2.808761|0.055795|0.055848|0.060018|0.052479|0.059848|0.065164|0.068684|0.122812|0.500000| |1.701407|1.825579|2.080241|2.096575|2.413748|2.734319|17.458432|4.520361|4.140657|6.977503|5.640187|8.932562|17.726806|8.909536|5.643909|4.953045|2.391965|0.075186|2.104245|2.145366|1.894454|1.693467|1.667686|1.832952|3.460869|3.050512|2.161544|1.937043|2.728532|2.123298|2.417572|1.866231|1.860591|1.704925|1.577350|1.582431|2.322796|0.046495|0.046114|0.049365|0.043576|0.047558|0.051201|0.053048|0.091595|0.214552|0.500000| |1.627956|1.700948|1.930946|1.951589|2.250206|2.539383|16.144065|4.244335|3.562068|5.607083|4.945587|5.648953|8.911903|17.722632|8.920837|5.649745|2.256714|0.071116|2.072937|2.202262|1.985392|1.745760|1.674452|1.800755|3.607648|2.795121|2.005166|1.774902|2.418803|1.850496|2.112319|1.646566|1.607063|1.481698|1.398577|1.424164|2.090507|0.042535|0.044804|0.047513|0.041639|0.044277|0.046932|0.049576|0.091137|0.124064|0.214841|0.500000| |1.840747|1.896236|2.192983|2.237709|2.644055|3.021506|18.545446|5.257844|4.078361|5.962197|5.637825|4.952056|5.642550|8.910168|17.727360|8.928331|2.667794|0.085489|2.519254|2.806890|2.524103|2.141811|1.999669|2.135313|4.395090|3.147122|2.242341|1.923782|2.546942|1.950030|2.283174|1.698371|1.620170|1.478089|1.404580|1.453141|2.163084|0.044649|0.051510|0.053979|0.046432|0.049062|0.051241|0.056313|0.120440|0.107559|0.124083|0.214941|0.500000| |2.345223|2.455300|2.997039|3.121210|3.970238|4.811090|26.419146|9.779775|6.850388|8.653091|8.857613|5.629895|4.952856|5.661072|8.969283|17.717427|3.957964|0.133718|3.620811|4.106681|3.416156|2.782827|2.605670|2.881703|5.464374|4.306378|2.943985|2.402148|3.138874|2.462241|3.049631|2.023288|1.896854|1.689882|1.591107|1.661713|2.531847|0.052534|0.066129|0.068741|0.057561|0.062725|0.065052|0.075900|0.245756|0.124029|0.107535|0.124530|0.216982|0.500000| |2.613604|2.761451|3.447582|4.094856|5.457303|5.050643|25.544285|7.313712|4.498050|7.032898|3.977323|3.134326|2.749863|2.838296|3.419304|4.258173|7.051300|0.228628|8.916385|17.709497|8.961793|5.692965|4.958869|5.659856|9.627638|6.563284|4.614320|3.387344|3.991899|3.025089|3.828682|2.456365|2.168016|1.899566|1.824656|1.980334|3.124102|0.067440|0.077966|0.072345|0.063498|0.073784|0.069137|0.104824|0.144566|0.080537|0.066676|0.069628|0.092374|0.145358|0.500000| |2.329678|2.341138|2.717325|3.090315|3.533286|3.274322|19.201518|4.480839|2.867898|4.659579|2.686987|2.266671|2.090169|2.197809|2.574717|2.927554|4.078087|0.114319|5.605307|8.847699|17.743313|8.966246|5.647766|4.955114|16.701166|4.510809|3.328758|2.712252|3.169720|2.333255|2.711744|2.027299|1.798470|1.617731|1.589040|1.733152|2.673546|0.058469|0.071480|0.063968|0.057974|0.063776|0.058383|0.083902|0.093075|0.058914|0.052138|0.056120|0.072943|0.095692|0.214265|0.500000| |2.742593|2.820862|3.096956|3.722799|3.613623|2.982528|18.797110|3.602603|2.351326|4.120950|2.074852|1.830729|1.657079|1.657163|1.831224|2.074041|4.049042|0.096349|5.607047|4.961424|5.650580|8.962985|17.739484|8.857659|16.730330|5.207937|3.710391|3.324306|3.758165|2.768212|2.996198|2.384414|2.067084|1.845898|1.824793|2.023293|3.172902|0.070738|0.086995|0.069802|0.069705|0.083301|0.068010|0.117243|0.070387|0.049978|0.042525|0.042527|0.049952|0.063246|0.107659|0.124686|0.500000| |3.241942|3.667290|4.343000|6.076418|5.760587|4.133423|24.586025|4.657938|3.028880|5.495800|2.520571|2.203528|1.931452|1.883559|2.069544|2.415237|6.896763|0.140740|8.908845|5.663439|4.954723|5.688296|8.967277|17.739853|9.629557|9.577862|5.846260|4.910047|5.431903|4.229988|4.791836|3.194703|2.699085|2.305889|2.213321|2.455327|4.026715|0.088844|0.099506|0.081080|0.079986|0.110558|0.087028|0.215207|0.086153|0.061213|0.049340|0.047534|0.054976|0.072793|0.124250|0.107593|0.214260|0.500000| |2.203396|2.512585|3.036265|3.747140|4.624083|3.880223|20.871214|5.219877|4.033341|7.960863|3.400742|3.041623|2.601727|2.457340|2.637306|3.095349|6.873921|0.207476|5.518264|4.667712|3.680403|3.369872|3.633902|4.567713|6.254213|12.291650|17.437421|8.883400|9.275822|5.905470|7.378533|4.920841|3.849706|3.131743|2.967210|3.368143|5.908524|0.129061|0.062797|0.059007|0.055387|0.070594|0.065505|0.103878|0.091713|0.085688|0.066211|0.060947|0.067642|0.088396|0.129735|0.089851|0.088250|0.125098|0.500000| |2.333068|2.622932|3.134319|4.002631|4.693429|3.707877|20.450914|4.728188|3.365885|6.284652|2.865487|2.526369|2.210154|2.142812|2.339254|2.722357|7.289149|0.183047|7.566385|5.807423|4.669128|4.507921|5.173953|6.847384|7.989219|12.429189|17.645154|9.031370|7.670519|4.980963|5.779865|4.223954|3.289549|2.758435|2.693240|3.119552|5.417404|0.125609|0.068213|0.061439|0.058589|0.075186|0.066569|0.117410|0.085627|0.070045|0.056322|0.053814|0.061521|0.080497|0.142223|0.107400|0.121827|0.182566|0.301787|0.500000| |1.943736|2.199275|2.505808|3.009759|3.288233|2.786714|16.466472|3.621678|2.735573|5.348709|2.406806|2.248250|1.998768|1.898790|1.992601|2.237564|4.212293|0.112579|3.920502|3.352492|2.947910|2.931724|3.280714|3.858220|5.701094|7.745997|9.050619|17.610617|12.355731|5.635379|5.071049|7.262178|4.739184|3.907649|3.977881|5.097479|10.429093|0.282121|0.055466|0.051212|0.050080|0.063827|0.057706|0.088877|0.066181|0.064140|0.052363|0.048397|0.052151|0.063521|0.088276|0.072901|0.085200|0.113509|0.224165|0.218498|0.500000| |2.238215|2.577229|2.920202|3.629877|3.747174|3.020959|18.154806|3.724682|2.709584|5.277248|2.319124|2.137355|1.885092|1.793352|1.897077|2.153634|4.700796|0.114382|4.444939|3.525474|3.108793|3.233815|3.888674|4.790287|6.192124|9.380954|8.853155|17.538562|12.353893|6.646880|5.651051|6.527568|4.494972|3.634953|3.570482|4.341156|8.396582|0.205018|0.064288|0.057735|0.057608|0.076936|0.066551|0.113804|0.067820|0.061103|0.049228|0.045616|0.049755|0.061884|0.088902|0.074737|0.103194|0.156118|0.174061|0.221282|0.299461|0.500000| |2.360691|2.884934|3.307182|3.818373|3.962605|3.475359|21.603286|4.296680|3.395398|7.466241|2.787856|2.698400|2.285609|2.054276|2.092679|2.394654|4.182354|0.109596|3.279142|2.737857|2.333838|2.279909|2.554665|3.108930|4.456619|7.741712|5.053475|5.634663|12.328513|17.713266|8.997944|7.305469|7.479242|4.927364|3.857610|3.863673|6.566555|0.118986|0.063908|0.062132|0.060755|0.083305|0.079695|0.107980|0.075287|0.082635|0.060694|0.051551|0.052992|0.065551|0.074916|0.058363|0.066747|0.095869|0.134097|0.110156|0.127525|0.137556|0.500000| |2.663521|3.311506|3.769371|4.627033|4.447528|3.603752|22.585229|4.218976|3.120277|6.464307|2.547939|2.385007|2.045251|1.887231|1.964423|2.258889|4.732091|0.113518|3.826461|3.029821|2.597959|2.619919|3.072561|3.857789|5.060988|9.550688|5.748975|6.732982|12.417258|17.562635|8.874976|6.531780|5.612197|4.089172|3.495375|3.703886|6.482228|0.125682|0.073256|0.068096|0.068392|0.100142|0.088319|0.143231|0.074607|0.070713|0.053739|0.047549|0.050498|0.063538|0.079578|0.063523|0.081235|0.127733|0.133665|0.128096|0.138236|0.188879|0.301376|0.500000| |3.155006|4.066235|5.352265|6.828317|7.759560|6.168120|34.372436|6.749390|5.029790|11.336013|3.648783|3.280140|2.655612|2.403773|2.536538|3.063091|7.184671|0.174021|4.691140|3.685905|2.959622|2.819536|3.182368|4.137244|5.314547|12.403795|5.785872|4.959640|7.655780|9.038364|17.671646|4.228884|3.898539|3.054835|2.653986|2.758315|4.556571|0.090618|0.085319|0.083134|0.077425|0.112971|0.108478|0.172987|0.110057|0.098393|0.068003|0.058900|0.063575|0.085803|0.101072|0.072300|0.080003|0.126221|0.148286|0.127787|0.110295|0.125901|0.218320|0.219475|0.500000| |2.509507|3.011290|3.763377|4.562753|5.720754|4.984331|26.510507|6.465982|5.415230|13.013749|4.070590|3.718324|2.981310|2.665482|2.786819|3.357697|6.806175|0.199019|4.526559|3.753166|2.978557|2.756819|3.007409|3.807027|5.214582|12.253368|7.360795|5.897662|9.268632|8.860970|17.516107|4.929719|4.372928|3.369602|2.939202|3.096869|5.228611|0.103683|0.069065|0.067553|0.062579|0.083127|0.080770|0.119119|0.106156|0.112065|0.076119|0.064876|0.069054|0.092062|0.107102|0.073829|0.074795|0.110126|0.225350|0.147806|0.135311|0.132329|0.219526|0.173839|0.304012|0.500000| |1.929591|2.273722|2.493107|2.766303|2.836963|2.584762|16.620255|3.319184|2.639654|5.571669|2.301412|2.300301|2.017607|1.819205|1.819943|2.018385|3.012762|0.081296|2.542981|2.214402|1.951694|1.922081|2.118673|2.463833|3.852344|5.165555|3.785614|4.549428|9.521057|7.130478|4.854249|8.789928|17.853495|9.067350|5.620572|4.996879|7.804022|0.127152|0.052347|0.051108|0.050697|0.065772|0.063489|0.078888|0.060091|0.070299|0.054774|0.046456|0.046507|0.054783|0.060841|0.049702|0.056404|0.074685|0.104178|0.087724|0.114873|0.113520|0.274683|0.167756|0.121829|0.132952|0.500000| |1.568098|1.789361|1.905370|2.063580|2.097312|1.951717|12.845465|2.556522|2.014548|4.077085|1.833858|1.860689|1.689932|1.543272|1.528240|1.650256|2.221043|0.060649|1.976768|1.777909|1.614475|1.603060|1.740278|1.947650|3.289842|3.593983|2.741831|3.270637|5.723105|3.854612|3.046128|5.633206|9.085161|17.734478|8.822240|5.725220|6.894077|0.111292|0.042726|0.041745|0.041852|0.051731|0.050090|0.059045|0.047537|0.056040|0.046619|0.040143|0.039557|0.044746|0.048884|0.041776|0.047074|0.058107|0.076315|0.067426|0.089684|0.085122|0.122441|0.100049|0.078493|0.084869|0.220186|0.500000| 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