Version2.0 2020-01-11T02:57:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N3CCN(CC3)C(=O)[C@@H]4C=c5ccccc5=[NH+]4 C63281867 RHF 6-31G(d) (6D,7F) CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N3CCN(CC3)C(=O)[C@@H]4C=c5ccccc5=[NH+]4 C01[X(C26H30N5O5)] 192 C1 600 CC([C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N1CCN(CC1)C(=O)[C@@H]1C=c2c(=[NH+]1)cccc2)C CC([C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N1CCN(CC1)C(=O)[C@@H]1C=c2c(=[NH+]1)cccc2)C CC(C)[C@H](NC(=O)N1CCN(CC1)C(=O)[C@@H]2C=C3C=CC=CC3=[NH+]2)C(=O)Nc4ccc5OCOc5c4 InChIKey=DHELOQHZZPPIRQ-REWPJTCUSA-O InChI=1S/C26H29N5O5/c1-16(2)23(24(32)27-18-7-8-21-22(14-18)36-15-35-21)29-26(34)31-11-9-30(10-12-31)25(33)20-13-17-5-3-4-6-19(17)28-20/h3-8,13-14,16,20,23H,9-12,15H2,1-2H3,(H,27,32)(H,29,34)/p+1/t20-,23-/m0/s1 InChI=1/C26H29N5O5/c1-16(2)23(24(32)27-18-7-8-21-22(14-18)36-15-35-21)29-26(34)31-11-9-30(10-12-31)25(33)20-13-17-5-3-4-6-19(17)28-20/h3-8,13-14,16,20,23H,9-12,15H2,1-2H3,(H,27,32)(H,29,34)/p+1/t20-,23-/m0/s1/fC26H30N5O5/h27-29H/q+1 CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N3CCN(CC3)C(=O)[C@@H]4C=c5ccccc5=[NH+]4 C01[X(C26H30N5O5)] 192 C01 600 CC([C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N1CCN(CC1)C(=O)[C@@H]1C=c2c(=[NH+]1)cccc2)C O=C(N1CCN(CC1)C(=O)[C@H]1N[C@H]2C(=C1)C=CC=C2)N[C@H](C(=O)Nc1ccc2c(c1)OCO2)C(C)C CC(C)[C@H](NC(=O)N1CCN(CC1)C(=O)[C@H]2N[C@@H]3C=CC=CC3=C2)C(=O)Nc4ccc5OCOc5c4 InChIKey=APWUQTIECMFMBJ-QTEQDKRBSA-N InChI=1S/C26H31N5O5/c1-16(2)23(24(32)27-18-7-8-21-22(14-18)36-15-35-21)29-26(34)31-11-9-30(10-12-31)25(33)20-13-17-5-3-4-6-19(17)28-20/h3-8,13-14,16,19-20,23,28H,9-12,15H2,1-2H3,(H,27,32)(H,29,34)/t19-,20+,23+/m1/s1 InChI=1/C26H31N5O5/c1-16(2)23(24(32)27-18-7-8-21-22(14-18)36-15-35-21)29-26(34)31-11-9-30(10-12-31)25(33)20-13-17-5-3-4-6-19(17)28-20/h3-8,13-14,16,19-20,23,28H,9-12,15H2,1-2H3,(H,27,32)(H,29,34)/t19-,20+,23+/m1/s1/f/h27,29H 3604.1384126086 -1648.4186249 1-A 35109.4839 130 470 600 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.66178 -20.65296 -20.64836 -20.60467 -20.59318 -15.78409 -15.72198 -15.67084 -15.66993 -15.64936 -11.49850 -11.49686 -11.45872 -11.45324 -11.45014 -11.43039 -11.42448 -11.42125 -11.41039 -11.39639 -11.39619 -11.39572 -11.39292 -11.37412 -11.36291 -11.35006 -11.34642 -11.34218 -11.34202 -11.33970 -11.30011 -11.29286 -11.29019 -11.27916 -11.27192 -11.26851 -1.54049 -1.53898 -1.48874 -1.48388 -1.47119 -1.42794 -1.39487 -1.33638 -1.32553 -1.31385 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1.72679 1.74292 1.75000 1.75623 1.76429 1.76714 1.77549 1.79204 1.81022 1.82374 1.83605 1.84945 1.87041 1.88905 1.89144 1.90347 1.92892 1.94339 1.95313 1.97216 1.97631 1.98257 1.98819 1.99328 1.99710 2.00144 2.00752 2.01323 2.01894 2.02673 2.03637 2.04070 2.04630 2.06521 2.06979 2.07198 2.07791 2.08518 2.09290 2.09982 2.10270 2.11121 2.12017 2.12811 2.14212 2.14443 2.14694 2.15405 2.15957 2.16267 2.17470 2.18037 2.18806 2.19078 2.19499 2.19667 2.20194 2.21530 2.22821 2.23004 2.23466 2.24158 2.24784 2.25535 2.27024 2.28159 2.28880 2.29303 2.29745 2.29903 2.31208 2.32337 2.32766 2.32910 2.34050 2.34412 2.34933 2.35364 2.35922 2.36810 2.37759 2.38101 2.39128 2.39841 2.42315 2.42573 2.43398 2.43627 2.44974 2.45015 2.45858 2.46142 2.47022 2.47189 2.49625 2.51337 2.52895 2.53682 2.54710 2.55525 2.56021 2.56798 2.56811 2.57490 2.58757 2.59122 2.59825 2.61580 2.62667 2.64304 2.64807 2.66995 2.67292 2.68830 2.70311 2.71198 2.71839 2.72062 2.73437 2.75836 2.76671 2.77957 2.78304 2.78729 2.79227 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4949.23 4985.70 5539.73 5543.28 5573.03 0.587607 0.618339 0.619283 0.518349 -1647.831018 -1647.800286 -1647.799342 -1647.900276 3.385343D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2020 DUDE CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)N3CCN(CC3)C(=O)[C@@H]4C=c5ccccc5=[NH+]4 C63281867 RHF 6-31G(d) (6D,10F) C1 492.224694 |X|Y|Z| 63.895488 34.444530 172.742584 72.443033 30 6 7 8 23 5 2 |36.858105| |12.446496|36.858105| |7.545349|12.441433|36.858105| |7.520655|12.298790|7.427971|36.858105| |7.032915|8.856429|5.474920|17.616219|0.500000| |4.887937|7.477091|6.248572|12.418957|0.246590|36.858105| |4.047387|5.653717|5.581978|7.985480|0.168565|15.816602|73.516695| |4.286525|6.143892|5.056997|7.853555|0.202785|14.123757|14.958086|53.358707| |3.281870|4.319959|3.936686|5.001108|0.132591|7.628028|11.551628|18.291122|36.858105| |2.866772|3.693907|3.645878|4.193344|0.106945|6.260535|11.596494|10.520815|13.790713|36.858105| |2.384898|2.930688|2.921797|3.211791|0.084306|4.292126|7.938176|6.934677|7.880913|13.580169|36.858105| |2.246485|2.697482|2.617007|2.912369|0.078957|3.700227|6.470426|6.234593|6.945264|8.039437|13.988834|36.858105| |2.432203|2.917402|2.721261|3.149467|0.087831|3.935904|6.469469|7.139916|8.059952|6.958480|7.967652|13.788038|36.858105| |2.922828|3.620628|3.239252|3.997753|0.112856|5.173422|7.904564|10.843242|13.545688|7.856918|6.768118|7.928810|13.979365|36.858105| |2.153754|2.496834|2.328705|2.643569|0.074881|3.125141|5.163060|5.367564|5.198474|4.677359|5.414833|8.545425|14.100329|7.794624|73.516695| |1.900454|2.183230|2.087758|2.307066|0.064443|2.718563|4.655306|4.440702|4.213171|4.210007|5.358244|8.593530|8.597348|5.363850|23.972737|36.858105| |1.947123|2.273458|2.220934|2.414755|0.066031|2.928397|5.157479|4.721094|4.666196|5.175141|7.738563|14.029521|8.539243|5.400272|14.907769|13.534901|73.516695| |6.279513|7.625207|6.266619|13.130084|0.256844|7.934876|12.903878|7.182169|3.905669|3.557052|2.824113|2.533159|2.652437|3.194992|4.035637|2.036799|3.816571|53.358707| |5.401986|5.464903|4.489678|7.811412|0.213476|5.449603|9.019347|5.680795|3.263371|2.972273|2.452329|2.250879|2.371139|2.805684|3.691573|1.871625|3.457091|19.027768|36.858105| |5.464067|5.111564|3.960339|6.878314|0.227696|4.804834|7.531710|5.437520|3.134470|2.777035|2.325355|2.185034|2.348176|2.793039|3.704909|1.859792|3.378601|11.486987|15.865658|73.516695| |4.072943|4.076662|3.705272|5.191420|0.137969|4.236709|7.648831|4.568649|2.783737|2.638532|2.230676|2.037359|2.103122|2.416082|3.308284|1.708791|3.174283|11.141319|13.714918|14.998477|53.358707| |3.423240|3.269440|2.959231|3.924189|0.110732|3.301792|5.853808|3.787154|2.375000|2.246638|1.949342|1.812945|1.879202|2.128137|3.010836|1.562184|2.869380|7.112224|7.876315|12.652242|17.835345|36.858105| |2.730207|2.688135|2.522176|3.173950|0.088193|2.857028|5.245133|3.333440|2.161213|2.093057|1.847203|1.713184|1.750575|1.945078|2.819900|1.483468|2.737465|5.494703|5.207380|8.344707|10.666776|12.535935|36.858105| |2.605495|2.592137|2.533508|2.978982|0.079832|2.730168|5.154327|3.158010|2.068088|2.043154|1.809182|1.660283|1.674204|1.844528|2.691091|1.427627|2.659214|5.203449|4.528609|6.902303|9.197304|7.744367|12.951737|53.358707| |2.873801|2.952161|2.966627|3.435105|0.088454|3.186110|6.231564|3.564761|2.316240|2.317536|2.021081|1.822747|1.822923|2.018998|2.891857|1.533616|2.889243|6.297797|5.130242|7.223002|10.660609|6.630714|7.762744|17.775424|36.858105| |3.720136|3.776598|3.748646|4.448750|0.111366|3.833978|7.304439|4.132663|2.582305|2.526220|2.153242|1.942046|1.968232|2.224857|3.097745|1.620134|3.042547|9.153928|7.643303|9.562784|17.912192|7.894458|6.641389|10.571746|12.483077|36.858105| |2.248560|2.217402|2.192137|2.473380|0.066642|2.296471|4.315398|2.717994|1.809739|1.798530|1.618097|1.494514|1.501422|1.634597|2.436984|1.302178|2.420042|4.130341|3.467344|5.519040|6.306469|5.352774|7.872843|19.385183|7.608133|5.267371|36.858105| |2.074059|2.022583|1.976229|2.239414|0.061351|2.077067|3.846355|2.500780|1.674261|1.653905|1.500363|1.399452|1.412129|1.531497|2.310682|1.235434|2.280500|3.642022|3.082365|5.099376|5.353878|4.801517|6.902942|11.508945|5.273340|4.147805|15.897493|73.516695| |2.078288|2.069669|2.105359|2.258435|0.059861|2.134273|4.065168|2.535041|1.707847|1.721991|1.560638|1.433866|1.426145|1.539197|2.316490|1.247155|2.332262|3.710908|2.956278|4.671334|5.104131|3.932674|4.949621|10.434648|6.442469|4.552860|12.228437|14.388393|36.858105| |2.215015|2.198252|2.271136|2.366786|0.061948|2.217383|4.229966|2.612922|1.749567|1.764789|1.590914|1.456296|1.448246|1.568264|2.345095|1.259911|2.361430|3.924169|3.075726|4.791054|5.288599|3.912847|4.563447|9.450176|6.753511|5.021694|8.680250|10.867177|17.559155|0.500000| |1.927676|1.964052|2.013961|2.159173|0.056977|2.101786|4.075982|2.507182|1.714862|1.755657|1.603348|1.464091|1.440625|1.541334|2.337040|1.268433|2.388057|3.496295|2.710988|4.273755|4.554531|3.367487|4.210817|8.079485|5.710624|3.985426|7.420038|10.149900|12.686667|0.247235|36.858105| |1.701718|1.726019|1.767067|1.875339|0.049897|1.834902|3.525771|2.225759|1.538516|1.576577|1.457884|1.340994|1.317692|1.397988|2.154947|1.175902|2.207177|2.962967|2.288492|3.688873|3.718769|2.797125|3.415541|5.955299|4.090401|3.124881|5.521267|8.758170|8.181377|0.173515|14.211804|36.858105| |1.536564|1.571008|1.611531|1.701887|0.045377|1.691232|3.256579|2.075361|1.453768|1.501531|1.404718|1.293970|1.263320|1.327704|2.074559|1.140659|2.144957|2.638181|2.010609|3.270560|3.180175|2.366007|2.818420|4.617095|3.273205|2.610051|3.972132|6.590399|5.061591|0.119398|7.444363|13.161373|36.858105| |1.403620|1.425117|1.457132|1.530355|0.041057|1.516099|2.889647|1.879203|1.320774|1.358955|1.279669|1.187604|1.162111|1.216687|1.921025|1.058138|1.980693|2.343430|1.789464|2.950226|2.788959|2.100033|2.461954|3.902861|2.721130|2.250126|3.363963|5.854643|4.101655|0.099124|5.161821|7.973742|14.241940|36.858105| |1.386324|1.390780|1.415871|1.483737|0.039988|1.451957|2.739277|1.802870|1.259998|1.285517|1.207899|1.126997|1.109921|1.165644|1.840216|1.009732|1.880122|2.271444|1.750959|2.909868|2.729705|2.092542|2.443377|3.851543|2.610246|2.191821|3.422837|6.194220|4.155308|0.100162|4.673313|6.888330|7.842388|13.098085|36.858105| |1.488369|1.479833|1.502739|1.577437|0.042531|1.524664|2.864463|1.882126|1.303552|1.321459|1.232757|1.150239|1.138642|1.203482|1.884010|1.028075|1.910498|2.438423|1.899557|3.152901|2.999610|2.332879|2.746552|4.418843|2.908854|2.427344|4.128450|7.618322|5.192426|0.121762|5.310206|7.626260|6.571875|7.681635|14.081838|36.858105| |1.665150|1.660258|1.689438|1.784509|0.047827|1.718354|3.250866|2.095403|1.440766|1.461219|1.351286|1.252829|1.240197|1.318702|2.038376|1.108380|2.066545|2.808252|2.197794|3.592893|3.557890|2.758705|3.334318|5.704989|3.703972|2.952502|5.680210|9.846742|8.359463|0.175954|8.471568|13.099885|7.592720|6.805962|8.088793|13.435683|36.858105| |1.837469|1.811654|1.837886|1.945925|0.052109|1.842120|3.466089|2.227369|1.513492|1.523069|1.395875|1.293827|1.288324|1.380829|2.111316|1.140647|2.122702|3.109254|2.468604|4.014970|4.082997|3.221134|3.913324|7.044541|4.357695|3.450459|7.769518|13.037812|13.171828|0.254605|8.331376|8.439642|5.283725|4.661041|5.270898|7.723794|14.572163|53.358707| |1.824578|1.775603|1.787890|1.894970|0.051112|1.775307|3.302623|2.157279|1.461293|1.459824|1.338418|1.247580|1.248864|1.340617|2.053741|1.106645|2.049617|3.011103|2.416517|3.986464|3.963210|3.209906|3.828602|6.551996|3.941365|3.273990|7.086608|13.586029|8.888756|0.202124|5.890171|5.942710|4.239806|3.959979|4.655457|6.822321|9.339839|25.964466|0.500000| |17.556701|8.821542|6.898361|5.479941|0.143542|4.059294|6.159956|5.079955|2.984996|2.640390|2.239500|2.127084|2.297088|2.713978|3.661126|1.824947|3.313306|6.416848|4.155804|7.467931|4.569858|2.914888|2.395106|3.155223|2.535714|3.179018|2.042072|3.371215|1.915616|0.056868|1.780697|1.587592|1.441367|1.324833|1.312075|1.405683|1.560691|2.334322|0.047440|0.500000| |17.568118|8.743364|5.476661|6.929841|0.213598|4.575076|6.629189|5.706247|3.217826|2.753992|2.312890|2.215680|2.438459|2.947888|3.877900|1.908153|3.428364|7.753764|5.411498|10.876740|5.438309|3.491466|2.750029|3.471069|2.739178|3.474435|2.204119|3.662312|2.006104|0.058636|1.858224|1.648944|1.491659|1.367966|1.354877|1.454503|1.620253|2.430225|0.049509|0.301221|0.500000| 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|6.815251|8.780676|17.553190|6.704495|0.138848|5.517555|9.524701|5.841086|3.439932|3.285796|2.676287|2.383617|2.442673|2.850638|3.751146|1.918694|3.638163|9.394194|4.901915|7.305954|5.706771|3.258204|2.766007|3.867612|3.415178|4.480583|2.437871|3.851261|2.356324|0.071721|2.233295|1.936258|1.746736|1.569431|1.526023|1.629622|1.849903|2.764608|0.054708|0.168499|0.139558|0.202609|0.173801|0.500000| |5.470210|8.710075|17.564945|6.732500|0.138964|6.997512|11.730229|7.741743|4.552248|4.362399|3.398123|2.956415|3.016828|3.584288|4.493106|2.275259|4.386327|7.633422|4.032372|6.301391|4.653476|2.740467|2.398801|3.297267|2.859511|3.484425|2.104045|3.367736|2.038056|0.060687|1.986156|1.746825|1.608222|1.450709|1.398231|1.472362|1.652368|2.420737|0.047720|0.141106|0.122140|0.139440|0.212582|0.301335|0.500000| |6.952617|8.824364|17.562491|5.443191|0.123316|4.735991|7.627432|5.705838|3.439352|3.202373|2.659061|2.426068|2.526753|2.949561|3.916582|1.982943|3.722165|6.429404|3.703688|6.036047|4.289880|2.618267|2.255808|3.094414|2.607853|3.210814|2.005030|3.244424|1.942707|0.058302|1.853162|1.644354|1.506005|1.372363|1.339861|1.421030|1.584647|2.341359|0.046730|0.209059|0.141350|0.171709|0.214511|0.302041|0.302211|0.500000| |4.657990|6.465351|4.854598|7.696459|0.227068|9.534529|10.893694|26.064492|9.318799|5.765165|4.274856|4.112104|4.972329|7.685333|6.974460|3.159977|5.740791|6.756749|4.103071|7.344700|4.403114|2.741034|2.378067|3.028955|2.464887|2.875660|1.925225|3.177757|1.784371|0.051042|1.747205|1.558917|1.450939|1.321548|1.276182|1.336108|1.481327|2.150088|0.042791|0.112610|0.131922|0.109115|0.220791|0.112876|0.142096|0.115614|0.500000| |2.958229|3.858985|3.982525|4.436476|0.108277|6.835378|14.843945|9.571022|8.953942|17.834461|8.899175|5.708177|5.005508|5.617261|6.589381|3.442191|7.393415|5.319336|3.178681|5.121719|3.889483|2.384515|2.230908|3.007920|2.561416|2.793617|1.933084|3.125992|1.863589|0.053329|1.910424|1.701188|1.615656|1.451264|1.366647|1.405751|1.564923|2.222319|0.043221|0.075171|0.077425|0.077595|0.108962|0.101763|0.136582|0.094932|0.144090|0.500000| |2.183263|2.641732|2.701562|2.867497|0.074659|3.719300|7.165411|5.615929|5.618311|8.828448|17.747154|8.952748|5.653097|4.899597|7.773616|4.646745|12.137130|3.544827|2.277064|3.805913|2.876396|1.853826|1.779716|2.400029|1.975324|2.073739|1.587953|2.613310|1.546899|0.043788|1.604298|1.464066|1.420678|1.293469|1.214564|1.233294|1.349674|1.886288|0.036770|0.057276|0.058443|0.057466|0.076499|0.069994|0.087197|0.068788|0.097805|0.213755|0.500000| |3.059435|3.699583|3.175719|4.033102|0.119273|4.832847|7.100699|9.915219|8.759718|5.593577|4.898258|5.641888|8.963642|17.727266|12.275920|4.668479|7.777213|4.312098|2.837272|5.161138|3.279645|2.147059|1.940180|2.477155|1.969157|2.186495|1.614029|2.704550|1.509056|0.042676|1.497930|1.360799|1.287802|1.184298|1.141006|1.182090|1.292867|1.849636|0.036840|0.078969|0.087931|0.074872|0.120318|0.077334|0.094390|0.081186|0.232504|0.123342|0.106633|0.500000| |1.792149|2.035374|1.935922|2.177880|0.061349|2.539977|4.378622|4.069962|3.746765|3.742969|4.621338|6.642099|6.647371|4.629608|16.560626|17.604440|16.557827|2.652245|1.814167|3.217226|2.270629|1.537773|1.470371|1.917985|1.503658|1.575342|1.288402|2.181161|1.230641|0.034363|1.254903|1.166778|1.135223|1.054705|1.005599|1.021690|1.099207|1.535357|0.030403|0.047599|0.050292|0.046504|0.060819|0.049934|0.058071|0.050916|0.080656|0.087138|0.114996|0.115676|0.500000| |1.792978|2.038767|1.965452|2.113013|0.058884|2.441727|4.179201|3.929097|3.590084|3.586761|4.421602|6.327761|6.335686|4.430552|16.579210|17.671620|16.589477|2.549501|1.725415|3.053020|2.151499|1.451708|1.378763|1.813003|1.427038|1.507495|1.221596|2.064858|1.174713|0.033023|1.192574|1.109789|1.078032|1.003669|0.959854|0.976773|1.049517|1.469113|0.029139|0.048325|0.049909|0.046193|0.061767|0.050162|0.059237|0.052507|0.078626|0.083901|0.110967|0.111595|0.297151|0.500000| |4.959326|6.209891|5.942996|9.326284|0.187987|8.055981|16.095333|7.007311|3.978997|3.803693|2.992845|2.616802|2.673931|3.169318|4.032930|2.062493|3.927774|26.024673|9.405495|10.976804|10.381832|4.843191|4.023255|5.417453|5.135556|7.238307|3.139513|4.829763|2.875428|0.084734|2.768199|2.317919|2.067288|1.816541|1.741672|1.860125|2.157992|3.229218|0.062924|0.110928|0.123814|0.148691|0.134793|0.188611|0.160178|0.124219|0.127054|0.121122|0.077687|0.084888|0.054818|0.052526|0.500000| |3.453374|3.158973|2.888174|3.593722|0.100880|2.979781|5.231019|3.465537|2.181243|2.062719|1.802604|1.685147|1.748685|1.971808|2.821349|1.465404|2.683292|6.314986|6.520918|11.025807|12.334702|17.497619|8.859462|9.350183|5.779316|7.055806|5.259744|8.618025|3.936206|0.111484|3.234524|2.724087|2.287919|2.054345|2.081045|2.351322|2.766404|4.496885|0.093889|0.082868|0.097504|0.112925|0.075960|0.089057|0.073073|0.072309|0.070419|0.060608|0.047730|0.055522|0.039958|0.038083|0.117801|0.500000| |3.412072|3.241903|2.837140|3.951065|0.117339|3.311654|5.710375|3.884651|2.428935|2.259124|1.963968|1.847274|1.937465|2.205966|3.117395|1.606522|2.924320|6.740238|7.600909|14.716825|12.524387|17.694296|8.912356|7.659569|4.967111|5.716345|4.299740|7.259177|3.279857|0.089547|2.901782|2.480254|2.147298|1.929612|1.922483|2.118294|2.449094|3.799213|0.077793|0.080371|0.100353|0.105263|0.079524|0.084313|0.073209|0.070036|0.079336|0.065589|0.051457|0.062555|0.044097|0.041368|0.123528|0.302180|0.500000| |2.471668|2.395035|2.245106|2.758111|0.077695|2.491709|4.519458|2.976024|1.950807|1.885498|1.684905|1.578294|1.616503|1.782736|2.630942|1.387748|2.544621|4.576034|4.225754|7.188417|7.698057|8.853171|17.698425|12.476562|5.669029|4.986904|7.715810|14.697805|4.734570|0.117769|3.945508|3.343508|2.765854|2.467001|2.500420|2.843747|3.394248|5.447044|0.112714|0.061117|0.069876|0.076033|0.059829|0.067681|0.059253|0.056661|0.059578|0.055269|0.045163|0.049679|0.038336|0.035973|0.091836|0.216561|0.210118|0.500000| |2.611265|2.641262|2.467908|3.195260|0.089311|2.970582|5.516485|3.477772|2.275565|2.213643|1.955362|1.809481|1.843427|2.043960|2.960757|1.560734|2.885999|5.434353|5.009567|8.053172|9.533446|8.879146|17.556614|12.444258|6.935293|5.777610|6.279838|10.009453|4.369890|0.110532|4.050384|3.319152|2.818511|2.446596|2.378695|2.609821|3.128380|4.773947|0.093384|0.063569|0.073364|0.079110|0.065805|0.074139|0.066297|0.060940|0.068307|0.065508|0.052338|0.056339|0.043186|0.040058|0.112908|0.173868|0.217570|0.300952|0.500000| |2.671731|2.744442|2.850147|3.077114|0.078396|2.897730|5.711550|3.281054|2.161296|2.190816|1.929212|1.735365|1.721340|1.888393|2.739739|1.462940|2.767227|5.432312|4.179683|6.057235|7.729787|4.971488|5.623521|12.326238|17.636687|8.936883|7.156000|8.780843|7.619166|0.251526|6.790357|4.618165|3.598928|2.941323|2.806569|3.143135|4.101216|6.616129|0.117857|0.066770|0.069809|0.084070|0.066442|0.092053|0.076740|0.070587|0.062921|0.067574|0.052886|0.050938|0.039750|0.038004|0.123863|0.130129|0.109248|0.127041|0.141498|0.500000| |2.748218|2.912749|2.916292|3.487336|0.089751|3.379916|6.814597|3.766897|2.474605|2.507560|2.182597|1.950790|1.935981|2.138308|3.052379|1.624525|3.080085|6.280451|4.946692|6.991730|9.545406|5.768716|6.911160|12.433881|17.543953|8.881589|6.110912|8.140784|5.354876|0.147070|5.428212|3.964758|3.300636|2.713195|2.537499|2.751713|3.440280|5.211318|0.095423|0.067260|0.073180|0.084330|0.070944|0.091401|0.080006|0.070590|0.071260|0.077640|0.059462|0.057382|0.044385|0.041731|0.148434|0.132791|0.129653|0.141983|0.203118|0.301440|0.500000| |3.941136|4.226604|4.417449|4.975465|0.117354|4.396550|8.741957|4.567872|2.835695|2.811686|2.359353|2.093720|2.104848|2.388128|3.274704|1.713061|3.250274|10.556289|7.125069|8.795356|12.361836|5.677174|4.957432|7.698326|8.959081|17.677989|4.240659|6.105728|3.950476|0.122445|3.656820|2.910899|2.490734|2.146272|2.065592|2.250894|2.702185|4.178958|0.080196|0.093519|0.098786|0.128213|0.095779|0.152952|0.115581|0.101906|0.086407|0.088356|0.063244|0.064403|0.045952|0.044219|0.266789|0.143513|0.127398|0.109287|0.129214|0.216610|0.218348|0.500000| |3.763542|3.623563|3.642591|3.993147|0.101148|3.366417|6.233547|3.730596|2.342914|2.280643|1.966010|1.790423|1.821034|2.048897|2.892793|1.513760|2.827435|7.669336|6.366019|8.713956|12.367993|7.085454|5.818565|9.435526|8.872887|17.479374|5.203225|7.415087|4.615229|0.148690|3.813654|3.048283|2.523020|2.205435|2.187817|2.458650|2.980385|4.870336|0.096413|0.090957|0.096761|0.128691|0.083601|0.122686|0.091626|0.089176|0.073351|0.069310|0.052665|0.056367|0.040814|0.039406|0.157311|0.210275|0.144396|0.131215|0.133434|0.218456|0.174152|0.302813|0.500000| |2.007004|2.080449|2.145412|2.315052|0.060543|2.289122|4.521195|2.706770|1.855946|1.918147|1.744838|1.578526|1.543812|1.652242|2.487950|1.352205|2.562644|3.772969|2.877433|4.462605|4.836827|3.431456|4.238882|8.008731|6.392936|4.289638|6.289813|8.557450|8.375704|0.198932|17.767471|8.817926|6.392834|4.464395|3.879314|4.154803|5.779888|7.808077|0.124861|0.051230|0.053502|0.060741|0.052294|0.066180|0.059377|0.054314|0.051877|0.058543|0.048671|0.044297|0.037134|0.035184|0.084819|0.089101|0.082279|0.105819|0.117762|0.213498|0.183991|0.112469|0.109084|0.500000| |1.535585|1.587087|1.633914|1.727078|0.045885|1.738726|3.379069|2.134377|1.505201|1.568040|1.471618|1.349097|1.308745|1.370334|2.144305|1.183739|2.237016|2.667154|2.010332|3.255577|3.156378|2.306559|2.724232|4.408411|3.236367|2.586047|3.613755|5.892395|4.416988|0.107838|6.570647|8.702627|17.745640|9.012419|5.569029|4.795878|5.473403|5.833032|0.098313|0.039970|0.041333|0.045477|0.040916|0.049054|0.045671|0.042280|0.041210|0.047047|0.041571|0.036726|0.032750|0.031023|0.058597|0.061202|0.058451|0.073026|0.077198|0.098405|0.093515|0.069663|0.068339|0.180744|0.500000| 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