Version2.0 2020-08-01T15:46:53Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 04-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1CCC[NH+](C1)C(C)(C)CNC(=O)C(=O)Nc2ccc(cc2)OCC(=O)N C67392856 RHF 6-31G(d) (6D,7F) C[C@@H]1CCC[NH+](C1)C(C)(C)CNC(=O)C(=O)Nc2ccc(cc2)OCC(=O)N C01[X(C20H31N4O4)] 171 C1 482 C[C@@H]1CCC[NH+](C1)C(CNC(=O)C(=O)Nc1ccc(cc1)OCC(=O)N)(C)C C[C@@H]1CCC[NH+](C1)C(CNC(=O)C(=O)Nc1ccc(cc1)OCC(=O)N)(C)C C[C@@H]1CCC[NH+](C1)C(C)(C)CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2 InChIKey=XGHGESYPDMUUQQ-CQSZACIVSA-O InChI=1S/C20H30N4O4/c1-14-5-4-10-24(11-14)20(2,3)13-22-18(26)19(27)23-15-6-8-16(9-7-15)28-12-17(21)25/h6-9,14H,4-5,10-13H2,1-3H3,(H2,21,25)(H,22,26)(H,23,27)/p+1/t14-/m1/s1 InChI=1/C20H30N4O4/c1-14-5-4-10-24(11-14)20(2,3)13-22-18(26)19(27)23-15-6-8-16(9-7-15)28-12-17(21)25/h6-9,14H,4-5,10-13H2,1-3H3,(H2,21,25)(H,22,26)(H,23,27)/p+1/t14-/m1/s1/fC20H31N4O4/h22-24H,21H2/q+1 C[C@@H]1CCC[NH+](C1)C(C)(C)CNC(=O)C(=O)Nc2ccc(cc2)OCC(=O)N C01[X(C20H31N4O4)] 171 C01 482 C[C@@H]1CCC[NH+](C1)C(CNC(=O)C(=O)Nc1ccc(cc1)OCC(=O)N)(C)C C[C@@H]1CCC[NH](C1)C(C[NH][C]([O])[C]([NH][C]1[CH][CH][C]([CH][CH]1)OCC(=O)N)=O)(C)C C[C@@H]1CCC[NH](C1)C(C)(C)CN[C]([O])C(=O)N[C]2[CH][CH][C]([CH][CH]2)OCC(N)=O InChIKey=RWJSIYMQXNHIHL-CQSZACIVSA-N InChI=1S/C20H31N4O4/c1-14-5-4-10-24(11-14)20(2,3)13-22-18(26)19(27)23-15-6-8-16(9-7-15)28-12-17(21)25/h6-9,14,24H,4-5,10-13H2,1-3H3,(H2,21,25)(H,22,26)(H,23,27)/t14-/m1/s1 InChI=1/C20H31N4O4/c1-14-5-4-10-24(11-14)20(2,3)13-22-18(26)19(27)23-15-6-8-16(9-7-15)28-12-17(21)25/h6-9,14,24H,4-5,10-13H2,1-3H3,(H2,21,25)(H,22,26)(H,23,27)/t14-/m1/s1/f/h22-23H,21H2 2594.2333091444 -1292.5229102 1-A 22146.3292 105 377 482 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.68860 -20.65768 -20.65181 -20.58032 -15.81541 -15.73343 -15.71116 -15.63796 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4659.42 4668.28 4704.87 4706.85 4709.42 4713.13 4714.95 4736.34 4744.87 4753.23 4760.78 4761.53 4774.56 4781.19 4825.59 4842.72 4853.62 4897.17 4903.03 4962.17 5093.90 5509.36 5510.38 5545.03 5689.13 0.550397 0.577227 0.578171 0.488554 -1291.972513 -1291.945684 -1291.944739 -1292.034357 3.005802D-04 MUNgauss RevisionA2.0 retrievium 01-Aug-2020 DUDE C[C@@H]1CCC[NH+](C1)C(C)(C)CNC(=O)C(=O)Nc2ccc(cc2)OCC(=O)N C67392856 RHF 6-31G(d) (6D,10F) C1 391.234531 |X|Y|Z| 138.608869 46.585091 27.630757 56.295919 18 6 7 15 3 |36.858105| |12.452058|36.858105| |8.912945|17.495525|0.500000| |7.494461|12.456489|0.247564|36.858105| |4.903381|7.581172|0.191308|12.480084|36.858105| |4.409358|6.522368|0.160157|7.573285|12.504793|36.858105| |4.950411|7.586462|0.193514|6.458128|7.645538|12.646602|53.358707| |4.708693|7.238539|0.217704|6.041071|7.372544|9.416219|25.519406|0.500000| |7.621510|12.434116|0.248725|7.549701|6.547547|7.765421|17.224209|0.258559|36.858105| |3.750866|4.855707|0.128399|4.277508|4.894759|7.420982|16.765701|0.257703|7.366454|36.858105| |3.710131|4.433721|0.120112|3.631722|3.796016|4.903827|10.255887|0.187800|6.591880|12.436386|36.858105| |3.347227|4.074905|0.102644|3.855910|4.330003|6.549829|10.283122|0.158720|5.790301|12.433257|7.609989|36.858105| |3.032763|3.839452|0.107803|3.581617|4.341404|6.036536|10.311300|0.211977|4.922278|12.288849|7.568243|7.603827|36.858105| |2.882694|3.576595|0.106167|3.236318|3.788440|4.646528|8.041290|0.191645|4.311531|7.461438|6.616823|4.988689|13.137273|53.358707| |3.041841|3.836361|0.120691|3.446358|4.041598|4.561152|7.737379|0.208450|4.312167|5.813193|5.305977|4.054158|7.753519|19.532543|36.858105| |3.522784|4.707156|0.155590|4.247630|5.156872|5.497078|9.208806|0.287010|5.016037|5.758671|4.949758|4.041016|6.686411|11.519351|15.682443|73.516695| |2.582923|3.074785|0.096918|2.780112|3.120577|3.344113|5.361394|0.132878|3.309313|4.064989|4.056211|3.119374|5.031985|10.830840|12.376164|14.003998|36.858105| |2.307907|2.677584|0.082017|2.431883|2.694443|2.941777|4.676383|0.109975|2.936211|3.752733|3.881669|2.977911|4.685337|9.847649|8.078134|9.798412|15.869043|73.516695| |2.565038|3.018930|0.097687|2.751988|3.042893|3.086330|4.788739|0.118993|3.078594|3.405367|3.374922|2.697438|3.944107|7.307180|7.975953|12.503936|14.344777|14.828744|53.358707| |2.226097|2.525876|0.080384|2.329580|2.516543|2.515934|3.804045|0.090587|2.536145|2.728334|2.751798|2.253353|3.077875|5.347087|5.041802|8.234807|7.701779|11.405313|18.232494|36.858105| |2.004218|2.227598|0.069371|2.046536|2.184022|2.223413|3.374996|0.078234|2.277560|2.499277|2.587768|2.100029|2.807450|4.840560|4.209080|6.613787|6.301530|11.406205|10.482174|13.669386|36.858105| |1.792049|1.955365|0.060307|1.815277|1.915897|1.929042|2.876802|0.065518|1.975175|2.118335|2.189205|1.823596|2.335864|3.854121|3.238213|5.281162|4.340875|7.894510|6.976477|7.957659|13.846681|36.858105| |1.745036|1.894973|0.058615|1.779956|1.871844|1.848159|2.710944|0.061670|1.875732|1.955894|1.991897|1.698460|2.133010|3.432311|2.907891|4.931361|3.690624|6.374220|6.168100|6.845015|7.903963|13.676753|36.858105| |1.884708|2.067423|0.064776|1.955656|2.067388|2.005159|2.917489|0.067170|2.011595|2.059440|2.063546|1.776138|2.244079|3.598838|3.142963|5.500697|3.918877|6.375534|7.033226|7.905642|6.852347|7.948221|13.760581|36.858105| |2.139688|2.402398|0.076609|2.258613|2.422268|2.347491|3.449443|0.081327|2.338567|2.409545|2.391945|2.032199|2.659182|4.376294|4.024741|7.093670|5.216892|7.883980|10.814541|13.802891|7.953553|6.922636|7.949641|13.721088|36.858105| |1.569122|1.681290|0.051412|1.588587|1.657555|1.635370|2.378827|0.053360|1.662157|1.722123|1.757450|1.519410|1.859315|2.927971|2.416760|4.124453|2.945112|5.187909|4.675826|4.619638|5.301149|8.226136|14.171414|7.865948|5.202826|73.516695| |1.503348|1.599908|0.048815|1.525518|1.583376|1.543399|2.219241|0.049549|1.562153|1.588876|1.609091|1.413680|1.699052|2.627790|2.164383|3.771595|2.547524|4.409100|4.039311|3.784878|3.987201|5.277070|8.026379|6.686137|4.499087|24.378286|36.858105| |1.360419|1.432468|0.043266|1.366951|1.409410|1.380141|1.980866|0.043754|1.404356|1.427792|1.453788|1.284323|1.515733|2.316991|1.872175|3.252685|2.165245|3.810430|3.321641|2.977666|3.206445|4.102645|5.235933|4.390156|3.335568|14.338560|12.492461|36.858105| |1.333800|1.397818|0.042084|1.325386|1.361182|1.342223|1.938789|0.042673|1.379523|1.407699|1.446653|1.267919|1.489586|2.279418|1.825869|3.146744|2.115726|3.774321|3.196057|2.841830|3.157004|4.064679|4.798003|3.870155|3.060874|12.668414|7.981186|16.002306|73.516695| |1.277860|1.341345|0.040320|1.291407|1.330297|1.295963|1.842194|0.040495|1.308533|1.322603|1.337414|1.199042|1.399531|2.113767|1.699585|2.978947|1.928440|3.375457|2.937094|2.559453|2.675548|3.249111|4.014230|3.653288|2.885561|9.545977|7.888723|14.037711|15.078016|53.358707| |17.545461|8.763813|0.173393|6.765574|4.538601|4.240519|6.213425|0.115043|6.870814|3.598329|3.531589|3.390708|2.874052|3.627391|2.735269|5.502615|2.330897|3.763693|3.112225|2.002197|1.824579|1.641926|1.596290|1.710418|1.922581|2.571202|1.387642|1.264602|2.208704|1.622820|0.500000| |17.557092|8.748716|0.213466|5.458844|4.066500|3.862295|6.251617|0.123904|6.943513|3.680526|3.880304|3.227519|2.977935|3.945309|3.053398|6.135233|2.638967|4.222822|3.557839|2.281078|2.074279|1.852975|1.792050|1.919548|2.172142|2.864793|1.536445|1.393494|2.441996|1.772590|0.301023|0.500000| |17.581141|8.823992|0.213673|6.863328|4.527064|3.842960|5.568298|0.112109|5.525628|3.177095|3.114674|2.862712|2.686537|3.533725|2.786491|5.762112|2.421363|3.836737|3.347476|2.167602|1.942374|1.754682|1.730199|1.882616|2.123379|2.776899|1.510267|1.366445|2.372647|1.754837|0.301993|0.302299|0.500000| |6.952416|8.844970|0.174212|17.509340|8.848317|6.783352|7.632194|0.136911|6.741955|4.009347|3.425009|3.877685|3.299924|3.968967|3.001969|6.292261|2.461838|3.912117|3.279243|2.071968|1.851112|1.655981|1.620674|1.761781|2.005820|2.595144|1.404272|1.269040|2.194401|1.637376|0.205647|0.140936|0.173650|0.500000| |6.797106|8.844744|0.216500|17.576433|8.840260|5.514096|6.626455|0.134577|5.505087|3.496743|3.076574|3.170152|3.068953|3.904625|3.119374|6.811098|2.604543|4.044358|3.604639|2.281879|1.994438|1.787500|1.775645|1.968049|2.259234|2.827123|1.541378|1.379738|2.368112|1.782188|0.165804|0.139867|0.203571|0.303458|0.500000| |4.060840|5.505754|0.140246|8.799224|17.570060|8.982509|7.597625|0.148218|4.909592|4.078704|3.215828|3.856815|3.774394|4.475327|3.449365|7.480871|2.760248|4.308683|3.685447|2.290344|2.003325|1.779121|1.750713|1.931395|2.233146|2.779129|1.503428|1.343852|2.301531|1.738064|0.108709|0.094726|0.107920|0.215543|0.209216|0.500000| |4.481921|6.751976|0.200753|8.808375|17.544198|8.881009|9.400774|0.218095|5.706817|4.618367|3.681634|3.869652|4.394646|5.533851|4.622355|11.304397|3.537684|5.265347|4.813095|2.867511|2.425511|2.109357|2.072008|2.325907|2.779967|3.225597|1.731679|1.524627|2.603720|1.953486|0.110478|0.107268|0.118606|0.173316|0.214868|0.303480|0.500000| |4.297928|5.833435|0.134865|6.878665|8.826950|17.641752|12.357164|0.182446|7.178053|6.663051|4.611310|7.212145|5.141364|5.351619|3.730984|7.547917|2.868407|4.613624|3.605715|2.215259|1.994311|1.751635|1.678787|1.803518|2.075813|2.668849|1.421488|1.282484|2.224807|1.644871|0.121976|0.103870|0.103019|0.201406|0.140163|0.214565|0.173711|0.500000| |3.556696|4.875861|0.128438|5.513465|8.839840|17.686007|12.282172|0.221789|5.630460|7.080908|4.570803|6.379837|6.950348|6.913440|4.856383|10.081371|3.514644|5.518636|4.341665|2.586562|2.283735|1.973872|1.885804|2.044812|2.401302|2.959995|1.566420|1.397671|2.411456|1.786827|0.095050|0.089290|0.088754|0.139767|0.123588|0.215712|0.215026|0.301893|0.500000| |7.006120|8.875714|0.218038|5.520541|4.912774|5.636253|12.317289|0.220431|17.708479|6.976774|7.830709|5.260763|4.749269|6.008753|4.399214|8.684735|3.460909|5.514853|4.342935|2.635439|2.395239|2.067168|1.942987|2.064035|2.395073|3.056243|1.604938|1.445143|2.538229|1.821920|0.170418|0.210155|0.142805|0.139107|0.123916|0.108116|0.128138|0.145818|0.126313|0.500000| |6.908301|8.762321|0.173941|6.771119|5.777186|7.118814|12.339340|0.181156|17.603455|6.658753|5.936552|6.281496|4.422710|5.083423|3.597056|7.136005|2.849709|4.614325|3.600127|2.229295|2.033757|1.786259|1.699253|1.807747|2.069183|2.705285|1.435716|1.301501|2.277648|1.658275|0.204393|0.171162|0.140696|0.197068|0.138655|0.129570|0.132748|0.218758|0.145418|0.301759|0.500000| |3.991446|4.521783|0.117123|3.632740|3.604535|4.535297|8.935690|0.155511|6.919800|8.736025|17.611345|7.130876|5.495259|6.559880|4.153404|7.207430|3.348491|5.719063|3.953387|2.437238|2.307293|1.990256|1.828835|1.891247|2.160659|2.899953|1.505391|1.370323|2.429269|1.723108|0.108661|0.118063|0.090932|0.098049|0.085217|0.085596|0.094454|0.125278|0.113090|0.241252|0.189387|0.500000| |3.069318|3.544946|0.097097|3.037226|3.215704|4.065882|7.519649|0.143519|4.812814|8.922875|17.588273|6.808894|7.241925|8.925446|4.902818|7.653197|3.964637|7.128894|4.385612|2.674781|2.578843|2.185328|1.964652|2.005983|2.301853|3.095517|1.584237|1.438818|2.557195|1.798378|0.082220|0.089087|0.073564|0.080588|0.073188|0.078125|0.087500|0.108082|0.110631|0.151256|0.126213|0.303665|0.500000| |3.862220|4.617349|0.132652|3.632810|3.741117|4.529676|9.509554|0.199421|6.430252|8.692383|17.600351|5.499327|6.645838|9.572888|6.169957|10.099377|4.744379|7.872292|5.343374|3.137703|2.929705|2.437291|2.201099|2.284959|2.681765|3.415022|1.747521|1.568111|2.776107|1.950107|0.098174|0.115519|0.090765|0.092298|0.087134|0.086940|0.104650|0.113678|0.116995|0.231533|0.148005|0.300210|0.303415|0.500000| |3.082322|3.775616|0.095620|3.818183|4.527219|7.039243|9.017770|0.145334|4.946335|8.687582|5.503617|17.595094|7.085477|6.281878|3.835433|6.903090|2.969391|5.016406|3.534826|2.179921|2.019742|1.763495|1.654752|1.738982|1.986803|2.637012|1.386281|1.258610|2.199787|1.606528|0.086946|0.080838|0.074927|0.107580|0.087829|0.116776|0.110910|0.224294|0.210860|0.120508|0.147490|0.141874|0.142292|0.122036|0.500000| |2.904195|3.387844|0.087364|3.176605|3.488373|4.808385|7.515696|0.127306|4.573971|8.900371|7.237864|17.594356|6.803849|6.460129|3.738756|6.340193|2.992239|5.245376|3.480915|2.166475|2.056766|1.791827|1.655381|1.710728|1.940000|2.644926|1.378449|1.259084|2.220001|1.597658|0.081779|0.079555|0.069972|0.088743|0.074890|0.088225|0.089292|0.142674|0.134891|0.123307|0.135720|0.189570|0.211640|0.143727|0.302994|0.500000| |3.689362|4.359395|0.104999|4.088816|4.305072|6.199378|9.518738|0.143641|6.366656|8.739457|6.723779|17.586071|5.498613|5.531504|3.502360|6.383064|2.774937|4.689807|3.351673|2.086447|1.947332|1.708578|1.602695|1.677188|1.904396|2.563948|1.349932|1.231471|2.163359|1.569252|0.107620|0.098061|0.085918|0.119174|0.092151|0.106693|0.103465|0.209871|0.152845|0.157148|0.219786|0.205027|0.160162|0.140025|0.300783|0.303552|0.500000| |2.663301|3.229995|0.089363|3.049823|3.585445|4.802541|7.601687|0.149548|4.070583|8.956383|6.686174|7.484210|17.633844|12.734892|5.813881|8.768313|4.344560|7.715052|4.666343|2.784099|2.616780|2.206142|2.002825|2.074643|2.410467|3.137348|1.610163|1.449367|2.543838|1.824052|0.071421|0.073185|0.065994|0.080257|0.073708|0.089882|0.099048|0.122521|0.152306|0.111138|0.106812|0.141625|0.206505|0.155741|0.196573|0.218055|0.146901|0.500000| |2.948341|3.789078|0.106230|3.751714|4.876386|6.901974|9.773358|0.203726|4.593621|8.714443|5.511277|6.653996|17.616478|12.498987|7.017818|11.957340|4.660915|7.497203|5.209758|3.003528|2.689580|2.260804|2.097819|2.236200|2.655659|3.255166|1.687174|1.500401|2.602863|1.897273|0.077804|0.078506|0.073712|0.095503|0.089562|0.120436|0.138446|0.155987|0.260160|0.116928|0.115845|0.122489|0.143762|0.140123|0.200506|0.158090|0.139261|0.305374|0.500000| |2.551062|3.049231|0.089883|2.772795|3.162037|3.769994|6.246692|0.141800|3.609598|5.828203|5.753315|4.337963|8.953987|25.949962|9.656156|10.934908|7.899718|15.644739|6.973858|3.930448|3.734302|2.956152|2.571826|2.633280|3.148939|3.911592|1.951500|1.729283|3.043883|2.136694|0.066121|0.072052|0.064388|0.070550|0.069378|0.078130|0.093288|0.092193|0.113633|0.104633|0.089395|0.120714|0.175391|0.168632|0.111735|0.121498|0.099788|0.235172|0.188450|0.500000| |2.818115|3.387441|0.112842|3.102458|3.457208|3.392129|5.209079|0.133311|3.346380|3.513519|3.388608|2.767112|3.968788|6.988277|7.930379|15.118447|9.661714|10.894212|26.007751|9.203344|5.727074|4.277359|4.048661|4.855311|7.489525|5.606185|2.822587|2.324924|3.941329|2.838983|0.068832|0.078804|0.075637|0.073888|0.083654|0.084431|0.115583|0.079397|0.096449|0.094695|0.078616|0.081719|0.087369|0.109153|0.074447|0.071448|0.070710|0.093464|0.109803|0.128386|0.500000| |2.006364|2.230529|0.068768|2.032636|2.170574|2.256730|3.475773|0.079992|2.332593|2.646326|2.792825|2.214431|3.001056|5.293832|4.434475|6.645392|6.843310|14.419964|9.515916|8.877924|17.805943|8.980860|5.643295|4.948206|5.654181|7.633428|3.339410|2.819410|5.042799|3.247554|0.051013|0.058000|0.053409|0.051384|0.054392|0.055126|0.066183|0.056481|0.064514|0.068818|0.058042|0.068514|0.078777|0.088118|0.058672|0.060945|0.056660|0.078705|0.078175|0.118006|0.143487|0.500000| |1.667648|1.802134|0.054959|1.672894|1.756334|1.782104|2.656520|0.059722|1.834778|1.981132|2.067005|1.725382|2.173161|3.542256|2.882631|4.671329|3.748164|7.113698|5.635952|5.647174|8.930636|17.747173|8.969320|5.670311|4.980267|13.565340|4.906522|4.141664|7.700508|4.405451|0.042754|0.048058|0.045253|0.042760|0.045637|0.045487|0.053086|0.045377|0.050610|0.053522|0.046508|0.052531|0.057958|0.063421|0.046261|0.047516|0.045001|0.057830|0.058076|0.076526|0.097844|0.215621|0.500000| |1.813142|1.974163|0.061614|1.889387|1.987047|1.901471|2.727441|0.062322|1.895794|1.906173|1.895744|1.662432|2.055949|3.223415|2.782565|4.980843|3.307432|5.375174|5.733713|5.654024|4.945307|5.633999|8.862970|17.763921|8.965242|12.427034|7.340396|4.639197|6.917908|5.462948|0.045806|0.050998|0.050815|0.047386|0.053390|0.052021|0.062013|0.047719|0.053715|0.053623|0.047584|0.048701|0.050981|0.057790|0.045446|0.044343|0.043874|0.052877|0.057420|0.064954|0.115486|0.107511|0.124224|0.500000| |2.270677|2.577220|0.083125|2.455963|2.651258|2.506985|3.626767|0.086249|2.454521|2.467199|2.401316|2.079973|2.703705|4.359513|4.075349|7.602799|4.884034|7.112445|9.966888|8.925173|5.645095|4.976060|5.660913|8.951276|17.695509|7.457510|3.897660|2.976282|4.821750|3.624471|0.056324|0.063256|0.063171|0.059909|0.069040|0.067955|0.086236|0.061023|0.071109|0.068831|0.060010|0.060444|0.063304|0.074390|0.056876|0.054503|0.054314|0.067205|0.076329|0.084830|0.227366|0.124040|0.107960|0.218159|0.500000| |1.477817|1.582021|0.048180|1.524379|1.594548|1.548796|2.204641|0.049223|1.541224|1.574286|1.576373|1.405330|1.694047|2.606841|2.148873|3.763220|2.509016|4.315390|3.981031|3.679432|3.742396|4.716717|6.939052|6.564935|4.486752|16.555458|17.533403|8.796432|10.552283|10.115774|0.037964|0.041650|0.041299|0.038971|0.042874|0.042304|0.048586|0.039572|0.043905|0.043647|0.039403|0.040892|0.043080|0.047278|0.038520|0.037983|0.037199|0.044586|0.047147|0.053596|0.077996|0.087348|0.119554|0.217263|0.111005|0.500000| |1.576788|1.670081|0.051249|1.587005|1.634026|1.578737|2.274071|0.050896|1.614319|1.611402|1.634609|1.429308|1.706392|2.631889|2.185676|3.860226|2.545459|4.331314|4.093652|3.796867|3.848220|4.843534|7.190753|6.875061|4.657174|16.510204|17.532797|8.986529|11.685753|9.161545|0.040231|0.044840|0.044262|0.040442|0.044806|0.042973|0.049769|0.040337|0.044206|0.046121|0.041079|0.042632|0.044368|0.049536|0.038847|0.038535|0.038081|0.044629|0.047050|0.053795|0.080915|0.089375|0.121653|0.226583|0.114709|0.300702|0.500000| |1.278846|1.347451|0.040509|1.305864|1.350711|1.310526|1.851075|0.040725|1.310170|1.324116|1.329122|1.201746|1.405160|2.116052|1.705984|3.005104|1.926317|3.349459|2.945769|2.554978|2.617557|3.123603|3.900261|3.703208|2.929001|8.849776|7.362175|9.233804|10.843888|26.093353|0.033150|0.036029|0.035911|0.033758|0.036872|0.036143|0.040583|0.033900|0.036971|0.037043|0.033885|0.034905|0.036403|0.039453|0.032988|0.032598|0.032069|0.037316|0.039101|0.043495|0.058513|0.064560|0.084675|0.116582|0.076158|0.228489|0.176879|0.500000| 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