Version2.0 2020-02-02T02:53:13Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN1C2=C([C@H](NC1=O)c3ccccc3C(F)(F)F)C(=O)N(C2)[C@@H](CC(C)C)C(=O)NCC[NH+](C)C C35966637 RHF 6-31G(d) (6D,7F) CCN1C2=C([C@H](NC1=O)c3ccccc3C(F)(F)F)C(=O)N(C2)[C@@H](CC(C)C)C(=O)NCC[NH+](C)C C01[X(C25H35F3N5O3)] 207 C1 610 CCN1C(=O)N[C@@H](C2=C1CN(C2=O)[C@H](C(=O)NCC[NH+](C)C)CC(C)C)c1ccccc1C(F)(F)F CCN1C(=O)N[C@@H](C2=C1CN(C2=O)[C@H](C(=O)NCC[NH+](C)C)CC(C)C)c1ccccc1C(F)(F)F CCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C3=C1CN([C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C3=O InChIKey=VFCOMHHIDPVYSK-GHTZIAJQSA-O InChI=1S/C25H34F3N5O3/c1-6-32-19-14-33(18(13-15(2)3)22(34)29-11-12-31(4)5)23(35)20(19)21(30-24(32)36)16-9-7-8-10-17(16)25(26,27)28/h7-10,15,18,21H,6,11-14H2,1-5H3,(H,29,34)(H,30,36)/p+1/t18-,21+/m0/s1 InChI=1/C25H34F3N5O3/c1-6-32-19-14-33(18(13-15(2)3)22(34)29-11-12-31(4)5)23(35)20(19)21(30-24(32)36)16-9-7-8-10-17(16)25(26,27)28/h7-10,15,18,21H,6,11-14H2,1-5H3,(H,29,34)(H,30,36)/p+1/t18-,21+/m0/s1/fC25H35F3N5O3/h29-31H/q+1 CCN1C2=C([C@H](NC1=O)c3ccccc3C(F)(F)F)C(=O)N(C2)[C@@H](CC(C)C)C(=O)NCC[NH+](C)C C01[X(C25H35F3N5O3)] 207 C01 610 CCN1C(=O)N[C@@H](C2=C1CN(C2=O)[C@H](C(=O)NCC[NH+](C)C)CC(C)C)c1ccccc1C(F)(F)F CCN1C(=O)N[C@@H](C2=C1CN([C@@H]2O)[C@H](C(=O)NCC[NH](C)C)CC(C)C)c1ccccc1C(F)(F)F CCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C3=C1CN([C@@H]3O)[C@@H](CC(C)C)C(=O)NCC[NH](C)C InChIKey=UQZKGMHZMJUNMK-QTGUNEKASA-N InChI=1S/C25H37F3N5O3/c1-6-32-19-14-33(18(13-15(2)3)22(34)29-11-12-31(4)5)23(35)20(19)21(30-24(32)36)16-9-7-8-10-17(16)25(26,27)28/h7-10,15,18,21,23,31,35H,6,11-14H2,1-5H3,(H,29,34)(H,30,36)/t18-,21+,23+/m0/s1 InChI=1/C25H37F3N5O3/c1-6-32-19-14-33(18(13-15(2)3)22(34)29-11-12-31(4)5)23(35)20(19)21(30-24(32)36)16-9-7-8-10-17(16)25(26,27)28/h7-10,15,18,21,23,31,35H,6,11-14H2,1-5H3,(H,29,34)(H,30,36)/t18-,21+,23+/m0/s1/f/h29-30H 4439.3049795176 -1762.1416437 1-A 16510.0130 135 475 610 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.43304 -26.42945 -26.42694 -20.64638 -20.64607 -20.60701 -15.81371 -15.71578 -15.70790 -15.70260 -15.67607 -11.59622 -11.47348 -11.47149 -11.46683 -11.42453 -11.41652 -11.40699 -11.40606 -11.40167 -11.39977 -11.39585 -11.39126 -11.35733 -11.34922 -11.34798 -11.33655 -11.33444 -11.33065 -11.33017 -11.32943 -11.32749 -11.32519 -11.30131 -11.29928 -11.29665 -1.82785 -1.72537 -1.72240 -1.52467 -1.50593 -1.50186 -1.46045 -1.40382 -1.37376 -1.36704 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1.72229 1.73163 1.74021 1.75006 1.76231 1.76620 1.78005 1.79800 1.81164 1.83003 1.83900 1.84842 1.85737 1.86202 1.86926 1.87716 1.89214 1.89872 1.90872 1.92071 1.92241 1.94182 1.95151 1.95599 1.96513 1.98055 1.98588 1.98925 2.00213 2.00965 2.01100 2.02150 2.02719 2.03229 2.04075 2.04202 2.04763 2.04971 2.05129 2.05801 2.06257 2.07295 2.08338 2.08480 2.08579 2.09380 2.09531 2.11068 2.11171 2.12527 2.12766 2.13745 2.14222 2.14922 2.16346 2.16891 2.17761 2.18624 2.19413 2.19575 2.20194 2.21102 2.21212 2.22335 2.23964 2.24177 2.24603 2.25013 2.25805 2.26547 2.26673 2.27358 2.27377 2.28394 2.28799 2.29573 2.29806 2.30651 2.31342 2.32545 2.33271 2.33505 2.33887 2.34254 2.35166 2.35633 2.36682 2.37398 2.38428 2.38945 2.39447 2.40364 2.41937 2.42996 2.43528 2.44066 2.44285 2.45194 2.45733 2.47130 2.47734 2.48910 2.49667 2.50834 2.50981 2.51970 2.52494 2.53384 2.54260 2.54988 2.56136 2.57127 2.57858 2.58590 2.60149 2.61054 2.61777 2.62714 2.63645 2.64438 2.65172 2.66984 2.67598 2.68327 2.69036 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5036.93 5550.72 5624.15 0.643976 0.677890 0.678834 0.576247 -1761.497667 -1761.463754 -1761.462810 -1761.565396 3.440751D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE CCN1C2=C([C@H](NC1=O)c3ccccc3C(F)(F)F)C(=O)N(C2)[C@@H](CC(C)C)C(=O)NCC[NH+](C)C C35966637 RHF 6-31G(d) (6D,10F) C1 510.269200 |X|Y|Z| 76.910179 87.194656 54.697751 71.583740 15 6 7 12 3 |36.858105| |12.502370|36.858105| |7.629511|12.960707|53.358707| |5.659979|7.648685|19.123972|36.858105| |4.204782|5.094111|10.863664|14.254281|36.858105| |3.716587|4.331391|8.845417|7.646502|12.723458|36.858105| |3.492121|3.809882|7.222180|6.100502|9.057056|17.661975|0.500000| |4.329419|5.172569|11.049703|7.170930|8.039892|13.058612|0.255773|53.358707| |5.909652|7.755830|18.533927|8.047833|6.827576|7.461314|0.166909|19.119203|36.858105| |5.818067|7.032845|11.488169|5.504267|4.779880|5.254805|0.127436|11.583788|15.936513|73.516695| |2.940250|3.433779|6.319172|5.246185|7.489152|12.425897|0.246683|10.574629|5.243905|7.405287|36.858105| |2.816936|3.411681|6.072828|4.974507|6.346174|7.568844|0.156145|8.330672|4.793059|6.977506|13.730830|36.858105| |2.352738|2.776125|4.627072|3.679233|4.392623|5.004870|0.116164|5.934161|3.627065|5.625660|7.882359|13.769106|36.858105| |2.102992|2.401001|3.933799|3.101956|3.719613|4.399277|0.109798|5.191288|3.132676|4.966309|6.807996|7.951715|13.773985|36.858105| |2.150037|2.405716|3.993499|3.159589|3.907876|4.955759|0.130821|5.621579|3.246821|5.111820|7.877503|6.913121|7.973135|13.778172|36.858105| |2.487854|2.785736|4.817740|3.872665|5.097512|7.399607|0.198625|7.527364|4.005348|6.064227|13.632991|7.975044|6.881400|7.918458|13.717819|36.858105| |2.418109|2.599912|4.407089|3.489581|4.459383|6.321910|0.209162|6.780262|3.685313|5.708888|7.521845|5.030659|4.457093|5.055974|7.666085|12.642913|36.858105| |2.079787|2.209809|3.610628|2.814842|3.425362|4.412052|0.138162|5.128535|2.974072|4.778743|5.222138|4.021049|3.882327|4.701504|7.133406|8.099315|14.475202|97.533100| |2.618498|2.772147|4.705855|3.552887|4.349394|6.412504|0.220827|7.833051|4.152898|6.558434|6.438309|4.479719|3.864451|4.141634|5.559654|8.096358|14.377486|20.155503|97.533100| |2.460889|2.600661|4.392892|3.620704|4.733869|6.140569|0.226263|6.187809|3.502629|5.346326|6.298586|4.410196|3.836148|4.144720|5.599285|8.055884|14.201708|20.177058|20.135746|97.533100| |3.504831|4.028196|7.241840|8.410786|13.107112|7.174956|0.179211|6.842771|4.519179|6.263920|5.784295|5.239134|3.996445|3.477134|3.616510|4.459166|3.986090|7.186153|8.257647|10.164663|36.858105| |2.896889|3.215365|5.497523|5.529482|7.911708|6.059082|0.165829|5.758763|3.681224|5.319242|5.565733|4.901516|3.974866|3.628984|3.868287|4.703750|4.280526|7.817576|8.369481|11.565758|15.616058|73.516695| |3.752124|4.332539|7.182693|8.313585|8.393225|5.110812|0.128817|5.668999|4.121502|5.892132|4.262651|4.170779|3.350480|2.900076|2.924775|3.423972|3.115245|5.857698|6.656787|7.734321|14.029562|14.868346|53.358707| |5.086710|6.285778|10.218003|12.655484|8.165505|5.046172|0.123501|6.240786|5.022425|7.072149|3.994793|3.958738|3.146559|2.693085|2.699494|3.162350|2.895017|5.451325|6.456829|6.942425|8.217767|9.720573|17.919619|36.858105| |3.123894|3.420272|5.218101|5.156967|5.202463|3.763555|0.099684|4.324881|3.152405|4.736473|3.340784|3.299148|2.820714|2.515900|2.529421|2.857329|2.663487|5.181884|5.643997|6.689528|7.720901|11.910494|17.890876|7.474713|36.858105| |3.292807|3.532069|5.108266|4.823393|4.484596|3.335681|0.088583|4.013396|3.027704|4.630299|2.929511|2.908843|2.510171|2.244317|2.249628|2.523438|2.378944|4.672694|5.145709|5.894335|5.801019|8.814760|12.704235|7.450056|17.564882|0.500000| |2.604460|2.898321|4.350203|4.058057|4.188165|3.246020|0.084782|3.771584|2.722511|4.174883|3.092995|3.198722|2.851563|2.534587|2.476903|2.694041|2.454228|4.878126|5.110303|6.035276|5.776920|9.967392|10.353116|5.272533|12.405243|0.247908|36.858105| |2.611668|2.996224|4.364676|3.924290|3.833092|3.019993|0.076716|3.650451|2.703992|4.198727|2.926056|3.173132|2.865619|2.481481|2.354433|2.516027|2.248170|4.494351|4.741758|5.347870|4.724672|7.678155|8.351957|5.082908|7.317741|0.188591|12.324771|36.858105| |2.650185|3.167176|4.754523|4.252245|4.238196|3.375548|0.082721|4.073303|2.984995|4.595683|3.405093|3.932318|3.555534|2.941292|2.696971|2.850134|2.449205|4.862592|5.128681|5.680230|4.957426|7.918540|7.925040|5.036821|5.594869|0.138220|7.420512|12.425121|36.858105| |2.185349|2.447418|3.484374|2.984333|2.945001|2.453605|0.063402|3.018399|2.229513|3.548136|2.431494|2.634507|2.478830|2.197106|2.072594|2.160780|1.951401|3.987300|4.113148|4.614113|3.484012|5.969373|5.646844|3.626118|4.939028|0.133699|7.559533|12.425887|7.598393|36.858105| |2.862429|2.981043|4.564465|4.323129|4.625295|3.586338|0.100890|4.063770|2.887341|4.386690|3.159676|2.972855|2.576925|2.385025|2.473509|2.817246|2.743290|5.374086|5.785468|7.184030|6.688317|12.184577|10.774377|5.399541|12.368542|0.253160|7.293544|4.765207|3.970178|3.768997|36.858105| |3.127101|3.139550|4.816078|4.497455|4.752391|3.745570|0.109166|4.288867|3.058985|4.643743|3.154811|2.875771|2.464911|2.302385|2.433511|2.826658|2.840234|5.518499|6.126654|7.555697|6.299160|10.946902|9.412916|5.367604|8.013340|0.198937|5.132169|3.829332|3.359936|3.105016|15.843856|73.516695| |2.380431|2.473850|3.744767|3.394618|3.704248|3.070786|0.087147|3.499363|2.452314|3.796763|2.844557|2.698968|2.420635|2.288123|2.370615|2.630018|2.576105|5.179239|5.334652|6.766198|5.071270|10.334037|7.366089|3.983416|7.659784|0.171072|6.634342|4.322995|3.605087|3.702270|14.092930|15.164524|53.358707| |2.159062|2.195412|3.306908|2.898116|3.185295|2.788812|0.081634|3.209244|2.227397|3.495911|2.598332|2.414328|2.196473|2.131209|2.250870|2.487029|2.522371|5.168568|5.225723|6.751154|4.064837|8.433584|5.516835|3.222335|4.961329|0.120785|4.428510|3.260539|2.857911|2.922320|7.802959|12.301034|17.958325|36.858105| |2.034814|2.087821|3.205367|2.788404|3.190236|2.918325|0.087043|3.288870|2.219624|3.480788|2.799983|2.553031|2.351023|2.338356|2.519983|2.773283|2.861608|5.937815|5.755216|7.891900|4.007002|8.943881|5.012476|2.945554|4.117835|0.098123|3.832063|2.934708|2.710839|2.642365|5.682241|9.433665|10.496334|12.455894|36.858105| |2.249001|2.323727|3.681938|3.253133|3.923803|3.664082|0.113283|3.951173|2.585718|3.986298|3.475245|3.029924|2.725894|2.728115|3.035138|3.472252|3.670486|7.381568|7.200617|10.852519|4.966937|12.002297|5.663647|3.290976|4.266783|0.099293|3.792213|2.955934|2.839743|2.571587|5.703257|10.122302|8.638355|7.492139|12.736868|53.358707| |2.467028|2.594666|4.190188|3.846072|4.802102|4.260050|0.128961|4.433914|2.889639|4.368994|3.983480|3.475149|3.046861|2.972826|3.267184|3.812326|3.862606|7.491470|7.550667|11.261231|6.679369|18.499960|7.193293|3.925271|5.304366|0.117102|4.568904|3.444816|3.321986|2.895051|7.107930|11.959431|9.973732|7.133192|9.206373|25.425104|0.500000| |2.384288|2.392697|3.779536|3.266395|3.860488|3.706070|0.120639|4.091706|2.686009|4.164373|3.325308|2.822008|2.502021|2.506593|2.835222|3.328952|3.730810|7.441414|7.679035|11.337278|4.519867|9.681096|5.232772|3.225784|3.800115|0.092718|3.219632|2.607117|2.509399|2.265940|5.055544|10.368877|6.865131|6.036514|7.631154|17.383576|0.260264|36.858105| |2.034700|2.126067|3.380067|2.911250|3.554573|3.548456|0.109446|3.824345|2.446879|3.808832|3.612808|3.128595|2.911605|3.040373|3.476309|3.862365|4.145303|8.697062|7.680473|12.404729|4.230596|10.106732|4.728480|2.842265|3.435533|0.081268|3.243347|2.652018|2.646968|2.355406|4.101298|7.134132|6.112449|4.975334|7.752607|17.403184|0.261953|7.761982|36.858105| |17.545521|8.764862|9.333045|5.894835|4.408029|3.752013|0.100467|5.605116|5.203748|8.520997|2.926075|2.759177|2.303004|2.074408|2.139419|2.490971|2.451943|4.733343|5.914294|5.753775|3.805321|5.558325|5.672888|5.690136|3.497818|0.104116|2.811874|2.748570|2.713792|2.281390|3.257592|6.514123|3.604434|2.396193|2.222911|3.339787|0.074946|2.633956|2.172703|0.500000| |17.603311|8.840473|9.358338|5.021672|3.990920|3.763587|0.100152|6.248294|6.324540|12.067189|2.959388|2.777274|2.327052|2.106651|2.180381|2.538388|2.509938|4.857310|6.275189|5.688995|3.263836|4.901117|4.545202|4.255031|2.796287|0.080119|2.361039|2.341513|2.399881|1.984701|2.633857|5.155957|3.029159|2.055361|1.967615|2.987890|0.066205|2.360159|2.008881|0.300475|0.500000| |17.562017|8.868019|7.577006|4.441262|3.449785|3.085989|0.080966|4.795437|4.576651|8.379001|2.544860|2.482425|2.121741|1.905276|1.930694|2.191273|2.128125|4.189124|5.142748|4.857309|2.997030|4.503549|4.433461|4.275019|2.820457|0.083977|2.404884|2.450577|2.463776|2.089376|2.579868|4.943012|2.968338|1.985483|1.860784|2.751877|0.061062|2.128648|1.837670|0.301285|0.301471|0.500000| |8.811615|17.609768|12.515150|7.299734|4.842538|3.909694|0.095561|5.895681|5.767546|9.163959|3.216986|3.289628|2.713126|2.327771|2.298562|2.619380|2.418506|4.668425|5.660589|5.497087|4.091168|5.763312|6.407879|7.268608|3.759032|0.110852|3.197823|3.410173|3.566393|2.743007|3.139413|5.741509|3.522821|2.253567|2.111186|3.148517|0.072187|2.340400|2.100959|0.208980|0.173194|0.213026|0.500000| |8.856896|17.682576|12.580639|5.829260|4.321661|3.936990|0.095746|6.676694|7.429647|14.070331|3.266663|3.318548|2.749843|2.373344|2.351945|2.679800|2.481466|4.799478|5.994545|5.460872|3.451433|5.057326|4.913312|4.821053|2.932850|0.083298|2.579856|2.711089|2.926119|2.265679|2.580178|4.769611|2.990175|1.970240|1.895442|2.859574|0.064528|2.151788|1.958287|0.172898|0.213227|0.212743|0.303818|0.500000| |3.782400|4.310909|8.074719|5.218638|5.777265|9.026971|0.214668|26.007020|9.691435|14.227907|6.993079|5.501622|4.199038|3.833652|4.250622|5.619833|5.260432|9.074535|14.931207|10.119049|4.079986|6.446887|4.681633|3.698964|2.741933|0.071126|2.440845|2.368670|2.631872|2.002552|2.624397|4.921193|3.146972|2.159595|2.239020|3.642124|0.081565|2.791437|2.649898|0.099025|0.114880|0.088032|0.101279|0.118687|0.500000| |3.126011|3.968717|7.175526|5.908272|6.979619|7.096025|0.142607|8.501467|5.353629|7.624104|8.946705|17.733054|8.955070|5.661570|4.974147|5.663016|4.090944|7.510574|8.623398|8.467245|5.549180|8.524795|6.345531|4.621829|3.567879|0.088261|3.448828|3.548923|4.571900|2.872166|3.079628|5.262164|3.726672|2.400432|2.470428|3.913412|0.092388|2.692478|2.868044|0.084136|0.083879|0.076323|0.108028|0.107255|0.147075|0.500000| |2.241988|2.662736|4.300435|3.374894|3.828444|4.097573|0.096398|5.091496|3.290514|5.214762|5.628672|8.933719|17.725878|8.917172|5.659251|4.957110|3.561652|7.200900|7.175608|7.123802|3.564717|6.219293|4.265809|2.980900|2.689588|0.067252|2.788326|2.898068|3.692209|2.546782|2.414761|4.065702|3.104278|2.056351|2.170562|3.339283|0.075799|2.246384|2.587869|0.060602|0.061059|0.056900|0.073465|0.074128|0.099744|0.216496|0.500000| |1.889700|2.136645|3.409314|2.659318|3.090732|3.524956|0.090056|4.299232|2.686672|4.354457|4.919539|5.648000|8.903801|17.735025|8.934065|5.640659|4.126236|9.194650|7.820040|7.844367|2.955151|5.507439|3.457488|2.368098|2.259809|0.056511|2.313057|2.284830|2.687101|2.069712|2.149758|3.674997|2.847819|1.963656|2.153608|3.344612|0.073232|2.253205|2.755210|0.051735|0.052543|0.048100|0.057935|0.059054|0.088850|0.124345|0.214221|0.500000| |1.951250|2.142793|3.479150|2.724163|3.285166|4.046954|0.111904|4.746380|2.817274|4.532780|5.623548|4.976985|5.669502|8.952269|17.769685|8.920952|7.151104|18.669547|11.734760|11.913042|3.108360|5.987477|3.496734|2.375513|2.276437|0.056690|2.235744|2.114890|2.374445|1.893089|2.266552|3.984117|3.002583|2.135934|2.419708|3.928430|0.083936|2.716354|3.393803|0.054100|0.055239|0.049053|0.056913|0.058312|0.101322|0.107955|0.124460|0.216084|0.500000| |5.724483|6.223780|8.949707|8.863464|6.254095|4.328313|0.112001|5.546017|4.556979|6.684465|3.415399|3.297968|2.698870|2.374014|2.412311|2.812411|2.666088|5.082442|6.043601|6.466581|6.327823|8.284117|12.354730|17.564416|6.790528|0.212962|4.647187|4.363870|4.075136|3.287315|5.426473|10.342228|5.351453|3.246043|2.889733|4.322093|0.102633|3.221032|2.692451|0.197353|0.128338|0.133535|0.197703|0.129033|0.093821|0.103179|0.071106|0.058665|0.059997|0.500000| |4.772705|6.249774|8.998344|8.822197|6.167891|4.256948|0.102969|5.499299|4.536855|6.665422|3.602620|3.769282|3.073779|2.592075|2.531828|2.880624|2.595469|4.977176|5.775213|6.085920|6.156008|8.021578|12.324247|17.580868|6.463339|0.189489|5.217152|5.715579|5.798275|3.993744|4.518158|7.651197|4.814278|2.870222|2.627102|3.892082|0.092962|2.759527|2.530652|0.139913|0.109207|0.117291|0.228204|0.138601|0.092895|0.126016|0.083273|0.064066|0.062000|0.299951|0.500000| |2.433318|2.717064|4.182055|3.893166|4.272821|3.400982|0.088959|3.842830|2.694477|4.117771|3.364515|3.490940|3.154155|2.820562|2.748372|2.961922|2.661515|5.298460|5.412710|6.576812|6.067728|11.629879|9.263731|4.655249|8.813458|0.174238|17.537190|8.799275|7.194646|6.416452|6.614790|8.490383|9.047388|4.569072|4.218504|5.758983|0.144601|3.411849|3.710187|0.072195|0.062340|0.062037|0.081346|0.068054|0.069500|0.101981|0.085024|0.071334|0.068667|0.112196|0.124944|0.500000| |2.364927|2.563809|3.755934|3.375708|3.448789|2.783108|0.074206|3.292625|2.387022|3.725928|2.659089|2.718081|2.475426|2.248312|2.211036|2.378633|2.210589|4.465360|4.623642|5.455141|4.516891|8.086632|7.630136|4.270884|8.972920|0.217901|17.520982|8.897533|5.546577|7.581496|6.846370|8.600080|9.652523|4.700569|3.868111|4.901200|0.115640|3.067140|3.060150|0.071210|0.059842|0.061495|0.078148|0.063890|0.060086|0.080105|0.067500|0.057781|0.056325|0.111127|0.117620|0.301856|0.500000| |2.874031|3.301979|4.643448|4.121920|3.793758|2.955649|0.075075|3.667619|2.796560|4.364948|2.778830|2.980468|2.654405|2.299751|2.199925|2.375091|2.147053|4.280457|4.610678|5.092369|4.480137|6.965262|8.395191|5.694733|7.176884|0.216207|8.854881|17.492459|8.886839|8.945544|4.607917|6.839571|5.430813|3.066462|2.714457|3.737414|0.088002|2.499623|2.438907|0.084417|0.070129|0.075618|0.108015|0.081962|0.065804|0.093854|0.074381|0.058743|0.055028|0.139057|0.191567|0.175180|0.201282|0.500000| |2.560558|3.081176|4.467333|3.791009|3.650892|3.014432|0.073884|3.778691|2.826439|4.446379|3.054259|3.576090|3.314408|2.738088|2.479207|2.582734|2.226981|4.467887|4.723218|5.083560|3.997609|6.392904|6.268491|4.371269|4.411085|0.115931|5.437211|8.800463|17.558800|6.973206|3.296771|5.120089|4.113976|2.472594|2.349915|3.329980|0.077743|2.204602|2.307753|0.071605|0.064307|0.067225|0.097472|0.080870|0.068637|0.116605|0.098537|0.070532|0.061038|0.101233|0.145587|0.143567|0.124318|0.214181|0.500000| |3.022819|3.740185|5.862098|5.495123|5.455870|4.116758|0.097488|4.900863|3.589603|5.368912|4.079627|4.793215|4.070981|3.258450|3.001339|3.257517|2.750806|5.342491|5.784044|6.349590|6.239761|9.205611|9.916370|6.386936|5.965221|0.143934|6.716125|8.694137|17.595246|5.487677|4.182485|6.449280|4.946359|2.898277|2.777005|4.095052|0.099424|2.693773|2.794394|0.085604|0.075735|0.076474|0.116831|0.094712|0.085762|0.163849|0.114877|0.080563|0.072020|0.132885|0.205139|0.183524|0.136996|0.209859|0.301967|0.500000| |2.370518|2.783534|4.238582|3.742497|3.940066|3.277160|0.081048|3.882085|2.763340|4.277714|3.460549|4.049354|3.826057|3.187074|2.872667|2.962560|2.514302|5.042611|5.161221|5.818049|4.662405|7.998876|6.803541|4.175436|4.900519|0.117382|6.713228|8.787424|17.533948|6.914455|3.745379|5.613015|4.851355|2.867048|2.794941|3.976211|0.094548|2.519952|2.794147|0.067334|0.060725|0.061168|0.084494|0.072348|0.070700|0.125397|0.111548|0.081622|0.070287|0.096357|0.125350|0.211176|0.145486|0.173452|0.302063|0.302217|0.500000| |2.115413|2.317770|3.253713|2.763003|2.705872|2.267157|0.059440|2.806156|2.083005|3.337728|2.214654|2.349466|2.205305|1.985601|1.899728|1.989430|1.828511|3.753616|3.877726|4.357366|3.194786|5.507554|5.214121|3.387394|4.780644|0.136042|6.856543|8.740903|5.499294|17.549664|3.791793|5.555952|5.156864|3.001062|2.638023|3.413395|0.077384|2.229153|2.265350|0.061942|0.053315|0.056595|0.072030|0.059350|0.051931|0.070424|0.062308|0.052083|0.048637|0.088428|0.101860|0.154986|0.224288|0.215076|0.142462|0.122256|0.140153|0.500000| |2.128077|2.401120|3.361915|2.807549|2.725705|2.306017|0.059189|2.893599|2.160078|3.476008|2.298789|2.526942|2.402754|2.116873|1.975094|2.042131|1.836608|3.768449|3.899758|4.283218|3.097976|5.235774|4.936987|3.342293|4.054617|0.112540|5.484536|8.775031|7.022662|17.567422|3.171883|4.814554|4.186413|2.512159|2.306271|3.090675|0.070314|2.034149|2.110723|0.060877|0.053652|0.057102|0.075208|0.062620|0.053612|0.077224|0.069721|0.055790|0.050146|0.084326|0.105051|0.135322|0.148413|0.212620|0.212742|0.142129|0.173987|0.301930|0.500000| |2.013203|2.244631|3.245284|2.774382|2.822281|2.400382|0.062357|2.919653|2.119218|3.375325|2.433184|2.642438|2.538640|2.274402|2.134484|2.194650|1.974897|4.068093|4.111782|4.671957|3.362346|5.987551|5.180407|3.247474|4.459628|0.115185|6.886169|8.765977|6.815285|17.527243|3.597414|5.253378|5.029130|2.957260|2.736129|3.591329|0.082050|2.278149|2.459692|0.058217|0.051442|0.053228|0.068549|0.058147|0.054214|0.078501|0.072627|0.059995|0.054380|0.081604|0.096372|0.187172|0.195097|0.173820|0.168843|0.139414|0.203396|0.301189|0.301997|0.500000| |2.229137|2.351681|3.539123|3.182518|3.459109|2.888660|0.080410|3.311619|2.323739|3.615973|2.756173|2.682068|2.446199|2.303751|2.346308|2.551695|2.450534|4.973654|5.034310|6.309582|4.687883|9.567990|6.881106|3.738647|7.258340|0.161291|7.832622|4.838269|3.922715|4.274012|9.359023|10.880132|26.109874|9.049123|6.578480|7.333642|0.171445|4.186551|4.189611|0.067849|0.057785|0.057192|0.068956|0.058623|0.061023|0.075784|0.064780|0.058983|0.060616|0.099883|0.095529|0.229377|0.254847|0.118397|0.090352|0.105854|0.110176|0.121697|0.095657|0.121999|0.500000| |2.265215|2.255641|3.373210|2.928952|3.166316|2.779806|0.082531|3.241470|2.268808|3.572649|2.522910|2.316482|2.087528|2.024064|2.153788|2.408149|2.485611|5.071850|5.253262|6.676339|3.917043|7.767400|5.364188|3.247233|4.676778|0.119101|3.928662|2.999724|2.645471|2.667267|7.477005|14.177672|12.603858|17.678625|8.752517|9.075340|0.174081|6.508454|4.455673|0.070813|0.060043|0.057775|0.063892|0.055872|0.060620|0.064227|0.054158|0.051672|0.056858|0.093762|0.079283|0.108573|0.113928|0.080667|0.064386|0.075554|0.072421|0.076416|0.064701|0.073531|0.180663|0.500000| |1.954763|1.983143|2.937691|2.524414|2.723512|2.417539|0.070052|2.837955|1.986881|3.157710|2.288497|2.160455|1.998376|1.946593|2.035578|2.207578|2.229559|4.645920|4.638626|5.840862|3.367495|6.804242|4.662295|2.810836|4.208353|0.106524|4.004611|3.041284|2.640170|2.838843|5.857024|9.224909|12.507184|17.588428|9.003560|7.543643|0.144831|4.652093|4.182049|0.059794|0.051695|0.050553|0.056814|0.049893|0.053515|0.059793|0.052540|0.050426|0.054091|0.078855|0.071311|0.113685|0.123775|0.079443|0.064348|0.072879|0.073987|0.082571|0.067927|0.080517|0.222098|0.303714|0.500000| |1.887145|1.912635|2.906103|2.470275|2.787243|2.619462|0.078914|3.012450|2.038250|3.236744|2.519040|2.289416|2.130905|2.147769|2.330873|2.542740|2.684144|5.693448|5.453134|7.366194|3.340317|7.149145|4.206684|2.572893|3.382304|0.083519|3.160650|2.521211|2.349078|2.312198|4.461008|7.827539|7.623363|8.804891|17.600288|12.391856|0.180385|7.183972|6.876082|0.057094|0.051121|0.048211|0.053372|0.048567|0.057727|0.061278|0.054763|0.055449|0.063194|0.070991|0.064272|0.094660|0.089402|0.065650|0.057587|0.066736|0.067101|0.064535|0.056905|0.066357|0.137172|0.210696|0.215931|0.500000| |1.914619|1.991586|3.052820|2.648234|3.034120|2.787790|0.081428|3.144943|2.119214|3.332413|2.764137|2.573784|2.416343|2.413213|2.564730|2.754626|2.773698|5.827439|5.496176|7.465973|3.816259|8.624964|4.785712|2.799207|3.953959|0.093366|3.946332|3.027723|2.814408|2.780180|5.036854|7.892714|9.508204|8.873367|17.616790|12.470937|0.216105|5.627539|7.572733|0.057431|0.051321|0.048885|0.056270|0.050638|0.059662|0.068902|0.062389|0.062286|0.068546|0.074889|0.070695|0.125824|0.111453|0.076026|0.067525|0.078728|0.082554|0.076515|0.067008|0.081973|0.190927|0.173221|0.217948|0.301973|0.500000| |2.531799|2.551231|4.127090|3.547717|4.336408|4.387681|0.151905|4.722882|3.006002|4.615721|3.848880|3.128137|2.728288|2.751239|3.199429|3.905849|4.601416|8.850921|9.467342|15.160557|4.811598|10.129168|5.292499|3.335553|3.619673|0.088422|3.061138|2.542693|2.512517|2.188770|4.496755|9.226656|5.787088|4.648381|5.592268|12.383081|0.225857|17.659605|7.266740|0.077083|0.070589|0.062001|0.068151|0.063843|0.089850|0.081635|0.066889|0.067705|0.084744|0.091378|0.078571|0.090328|0.079205|0.067984|0.061554|0.076273|0.069976|0.059116|0.055134|0.060940|0.101459|0.136135|0.103987|0.145553|0.127285|0.500000| |2.575323|2.542466|3.966559|3.453473|3.941696|3.612226|0.115414|4.074602|2.749484|4.258189|3.130573|2.702568|2.370705|2.327181|2.579565|3.025468|3.303077|6.531350|7.032443|9.538857|4.661842|9.380525|5.674003|3.518380|4.212916|0.104670|3.400979|2.725859|2.564341|2.348377|5.980508|13.809550|7.656532|6.712863|6.940490|12.300765|0.224974|17.697407|5.634844|0.080756|0.070113|0.063775|0.069456|0.062640|0.076196|0.073289|0.059772|0.058199|0.067960|0.100688|0.082369|0.096823|0.090705|0.073790|0.062592|0.076505|0.070205|0.064876|0.058363|0.064616|0.123262|0.229126|0.138970|0.176981|0.141382|0.300766|0.500000| |2.136039|2.124136|3.292107|2.765804|3.184751|3.133967|0.100789|3.577536|2.368382|3.744526|2.885869|2.483732|2.251633|2.290005|2.590272|2.962897|3.371438|7.016661|6.996208|9.942579|3.602835|7.497274|4.307192|2.733169|3.178966|0.079478|2.785467|2.302360|2.215785|2.047905|4.087994|8.155431|5.791274|5.359118|6.976443|12.321243|0.181079|17.631288|7.007911|0.065017|0.059147|0.053615|0.057671|0.053687|0.069122|0.065623|0.056574|0.058021|0.070426|0.076334|0.066385|0.081710|0.075181|0.061441|0.054790|0.065215|0.062139|0.056338|0.051429|0.057487|0.101225|0.161531|0.122722|0.217222|0.145879|0.299194|0.297196|0.500000| |1.946797|2.061535|3.260867|2.815936|3.415813|3.354846|0.099338|3.636817|2.344019|3.655672|3.547792|3.193136|3.045691|3.181569|3.530215|3.763032|3.800694|8.069827|7.000456|10.583977|4.139084|10.004379|4.697013|2.787520|3.471107|0.081258|3.444893|2.811055|2.825318|2.525154|3.994026|6.604999|6.149733|4.769345|7.148978|12.327199|0.226052|5.633393|17.654201|0.057338|0.053007|0.049140|0.057171|0.053025|0.069840|0.081263|0.075919|0.080976|0.095296|0.072299|0.070139|0.113500|0.090297|0.070347|0.067968|0.081580|0.084919|0.066872|0.062499|0.074702|0.123637|0.113377|0.115189|0.168304|0.233227|0.147314|0.126442|0.142780|0.500000| |2.139915|2.249135|3.645101|3.126573|3.939434|4.148664|0.131996|4.344245|2.696389|4.166193|4.298994|3.546763|3.260762|3.468045|4.160084|4.805525|5.401444|11.058327|9.459996|17.812789|4.492360|10.631728|4.803019|2.937061|3.319741|0.078839|3.087619|2.587953|2.650164|2.269693|3.816369|6.805114|5.340548|4.130034|5.632538|12.353623|0.227143|7.209082|17.693606|0.063025|0.059246|0.053225|0.060962|0.057719|0.084178|0.087968|0.078475|0.085436|0.112577|0.076528|0.072161|0.097321|0.079211|0.066595|0.064463|0.079291|0.077384|0.060054|0.057117|0.065314|0.101690|0.107130|0.097122|0.141971|0.150397|0.225222|0.147004|0.174681|0.300488|0.500000| 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