Version2.1 2021-01-09T19:47:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 05-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc2c(cc1CN3CC[NH+](CC3)CC(=O)N([C@H]4CCS(=O)(=O)C4)C5CCCC5)OCO2 C22797458 RHF 6-31G(d) (6D,7F) c1cc2c(cc1CN3CC[NH+](CC3)CC(=O)N([C@H]4CCS(=O)(=O)C4)C5CCCC5)OCO2 C01[X(C23H34N3O5S1)] 192 C1 552 O=C(N([C@H]1CCS(=O)(=O)C1)C1CCCC1)C[NH+]1CCN(CC1)Cc1ccc2c(c1)OCO2 O=C(N([C@H]1CCS(=O)(=O)C1)C1CCCC1)C[NH+]1CCN(CC1)Cc1ccc2c(c1)OCO2 O=C(C[NH+]1CCN(CC1)Cc2ccc3OCOc3c2)N(C4CCCC4)[C@H]5CC[S](=O)(=O)C5 InChIKey=PZWRCBABFGLBNG-FQEVSTJZSA-O InChI=1S/C23H33N3O5S/c27-23(26(19-3-1-2-4-19)20-7-12-32(28,29)16-20)15-25-10-8-24(9-11-25)14-18-5-6-21-22(13-18)31-17-30-21/h5-6,13,19-20H,1-4,7-12,14-17H2/p+1/t20-/m0/s1 InChI=1/C23H33N3O5S/c27-23(26(19-3-1-2-4-19)20-7-12-32(28,29)16-20)15-25-10-8-24(9-11-25)14-18-5-6-21-22(13-18)31-17-30-21/h5-6,13,19-20H,1-4,7-12,14-17H2/p+1/t20-/m0/s1/fC23H34N3O5S/h25H/q+1 c1cc2c(cc1CN3CC[NH+](CC3)CC(=O)N([C@H]4CCS(=O)(=O)C4)C5CCCC5)OCO2 C01[X(C23H34N3O5S1)] 192 C01 552 O=C(N([C@H]1CCS(=O)(=O)C1)C1CCCC1)C[NH+]1CCN(CC1)Cc1ccc2c(c1)OCO2 O=[C]([N]([C@H]1CC[S@](=O)([O])C1)C1CCCC1)C[NH]1CCN(CC1)C[C]1[CH][CH][C]2[C]([CH]1)OCO2 [O][S]1(=O)CC[C@@H](C1)N(C2CCCC2)C(=O)C[NH]3CCN(CC3)C[C]4[CH][CH][C]5OCO[C]5[CH]4 InChIKey=ZZCMHPRLUGYSOC-FQEVSTJZSA-N InChI=1S/C23H34N3O5S/c27-23(26(19-3-1-2-4-19)20-7-12-32(28,29)16-20)15-25-10-8-24(9-11-25)14-18-5-6-21-22(13-18)31-17-30-21/h5-6,13,19-20,25H,1-4,7-12,14-17H2/t20-/m0/s1 InChI=1/C23H34N3O5S/c27-23(26(19-3-1-2-4-19)20-7-12-32(28,29)16-20)15-25-10-8-24(9-11-25)14-18-5-6-21-22(13-18)31-17-30-21/h5-6,13,19-20,25H,1-4,7-12,14-17H2/t20-/m0/s1 3470.5805699518 -1825.6461032 1-A 26519.9571 124 428 552 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4889.18 4904.40 5190.39 0.613818 0.641598 0.642542 0.549380 -1825.032285 -1825.004505 -1825.003561 -1825.096723 3.124669D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE c1cc2c(cc1CN3CC[NH+](CC3)CC(=O)N([C@H]4CCS(=O)(=O)C4)C5CCCC5)OCO2 C22797458 RHF 6-31G(d) (6D,10F) C1 464.221918 |X|Y|Z| 147.566484 55.263298 41.109619 69.468725 29 6 7 8 16 23 3 2 1 |36.858105| |13.562207|36.858105| |8.084956|13.986367|36.858105| |6.987637|7.930426|13.729100|36.858105| |7.882331|6.733946|7.917680|13.993297|36.858105| |13.810921|7.828016|6.934598|8.050536|13.516730|36.858105| |7.579949|4.988842|4.473094|5.077405|7.559484|12.599039|36.858105| |5.337168|3.997192|3.791198|4.418347|6.283873|7.693119|13.009916|53.358707| |3.945048|3.120223|2.973655|3.376593|4.421679|5.064307|7.859121|17.957804|36.858105| |3.177058|2.658243|2.607211|2.970408|3.705172|3.907721|5.076517|10.668497|12.523311|36.858105| |3.110644|2.640445|2.569662|2.860084|3.448046|3.667607|4.453723|9.071071|7.693657|12.709058|53.358707| |3.036072|2.562250|2.440753|2.649325|3.149969|3.466520|4.258847|8.098794|7.072239|9.206432|25.563865|0.500000| |3.734972|3.155531|3.077630|3.444877|4.183035|4.446448|5.074822|10.688011|6.660355|7.703599|17.233317|0.260647|36.858105| |5.122510|3.969499|3.689099|4.079580|5.247124|6.343956|7.825113|17.927900|8.016088|6.656229|10.473028|0.199096|12.548872|36.858105| |2.547852|2.247281|2.226102|2.462979|2.852618|2.919098|3.339790|6.096189|4.980066|7.631034|17.433165|0.264726|7.658548|4.992207|36.858105| |2.333722|2.081461|2.032520|2.185622|2.466753|2.572609|2.886630|4.963718|3.936043|5.112723|10.620460|0.227458|5.945718|4.271689|12.374616|36.858105| |2.469847|2.176955|2.084289|2.207026|2.495910|2.680630|3.043561|5.170197|4.083900|4.916680|10.205348|0.268297|6.014634|4.633811|8.151973|15.724357|73.516695| |2.030385|1.848687|1.821651|1.947937|2.152764|2.208489|2.416433|3.998252|3.118267|3.896764|7.030692|0.144846|4.370883|3.339722|7.679202|14.303210|15.018215|53.358707| |1.861905|1.710681|1.672050|1.757152|1.913613|1.980824|2.143153|3.428877|2.641437|3.110424|5.347289|0.115453|3.521013|2.872158|4.958642|7.877690|12.290336|17.616378|36.858105| |1.706427|1.583722|1.559734|1.639939|1.770466|1.812316|1.940980|3.068234|2.353864|2.757210|4.556339|0.095698|3.046472|2.521240|4.213539|5.840723|8.942725|12.700317|17.673305|0.500000| |1.926683|1.783935|1.733110|1.796938|1.934744|2.014803|2.140789|3.379043|2.514876|2.848025|4.932334|0.107238|3.509651|2.918973|4.207003|6.171221|11.168720|10.186719|12.353810|0.248389|36.858105| |1.729077|1.612515|1.557862|1.596406|1.702914|1.781901|1.885826|2.897366|2.165303|2.384147|3.934856|0.086418|2.797876|2.449989|3.213407|4.311960|8.131515|6.752512|7.660175|0.190897|12.334960|36.858105| |1.614927|1.495288|1.443160|1.485965|1.597122|1.675414|1.802779|2.761826|2.126013|2.355352|3.780875|0.084063|2.561773|2.270369|3.109851|4.126637|7.718414|6.505301|7.359594|0.191037|7.076741|10.577552|388.023441| |1.465572|1.368503|1.332491|1.376070|1.470010|1.523919|1.627596|2.480284|1.907383|2.122956|3.330727|0.072134|2.263329|2.004982|2.783651|3.520217|6.215230|5.772592|6.110548|0.191418|5.478250|7.249937|94.235630|73.516695| |1.591451|1.469909|1.405489|1.435542|1.542177|1.635545|1.766437|2.665357|2.057806|2.223829|3.503635|0.079198|2.383303|2.179532|2.760562|3.520594|6.908845|5.129314|5.038068|0.127675|5.120197|7.113985|94.650146|13.576822|73.516695| |1.783261|1.628032|1.574835|1.643820|1.795834|1.884948|2.068163|3.256747|2.569283|2.958517|4.891269|0.110420|3.130697|2.678527|4.234719|6.215304|11.284793|10.237657|12.433504|0.250386|7.734118|7.154039|75.835970|13.027392|12.740229|36.858105| |1.876293|1.728102|1.729876|1.868431|2.050661|2.055471|2.222866|3.643180|2.836944|3.581169|5.948327|0.115046|3.769217|2.926076|6.560013|7.698673|9.391790|17.561071|7.566364|0.215984|5.195852|3.890518|27.284958|6.647619|5.486552|5.291168|36.858105| |1.771091|1.660525|1.677890|1.803605|1.940913|1.919355|2.020483|3.244596|2.439204|2.951181|4.790052|0.092138|3.303781|2.620384|4.734150|5.284843|7.274836|10.186103|6.071196|0.194286|4.939908|3.775799|24.762678|6.279708|4.970066|4.230277|12.328450|36.858105| |1.570661|1.482309|1.504197|1.615624|1.726868|1.697575|1.783112|2.809791|2.132487|2.542595|3.909656|0.075644|2.673463|2.205675|3.684207|3.902641|5.667565|6.902130|4.521524|0.150353|3.721725|3.130930|21.707516|5.806431|4.442000|3.554068|7.746267|12.292571|36.858105| |1.552976|1.452362|1.467888|1.582681|1.709853|1.689734|1.804328|2.850845|2.222783|2.692620|4.036252|0.078412|2.639959|2.194946|3.854981|3.986558|5.745836|6.909748|4.378705|0.140808|3.402886|2.921018|21.571036|5.761312|4.478713|3.694372|8.001739|7.720347|12.358741|36.858105| |1.664625|1.538290|1.537308|1.652163|1.804542|1.812303|1.966504|3.146899|2.496759|3.078034|4.768076|0.094731|2.993956|2.454597|4.762802|5.336099|7.379559|10.183074|6.115366|0.194082|4.201821|3.502623|26.893767|6.984567|5.434103|5.105499|12.412009|7.783546|7.863504|12.447114|36.858105| |4.690767|5.406873|8.539741|14.087896|7.783142|5.190341|3.839514|4.846682|2.876140|2.642028|3.473526|0.065272|3.009662|3.339038|2.274258|2.020759|3.572436|2.495421|1.655896|0.043384|1.688380|1.503873|9.951624|2.326929|2.390614|1.539859|1.788890|1.751770|1.585017|1.544375|1.589095|73.516695| |4.225851|5.363979|8.600293|8.596617|5.365311|4.212775|3.199542|3.990945|2.433322|2.242444|2.993073|0.057261|2.561333|2.831886|1.984721|1.805219|3.215204|2.253318|1.518742|0.039950|1.562544|1.408746|9.298322|2.178939|2.245157|1.419132|1.611391|1.591306|1.448337|1.405196|1.442560|23.984007|36.858105| |5.201783|7.771205|14.098806|8.544059|5.406161|4.669264|3.408137|4.125930|2.481967|2.244899|3.034209|0.058879|2.624301|2.994032|1.985375|1.830810|3.311041|2.270834|1.543186|0.040346|1.603883|1.452102|9.544276|2.220429|2.319894|1.449670|1.600346|1.573380|1.422457|1.379761|1.430353|14.934169|13.515935|73.516695| |17.714096|8.911233|5.723810|5.011002|5.618596|8.954203|7.036646|6.804672|3.885529|3.090287|4.156615|0.085149|3.578629|4.952669|2.491006|2.325659|4.457906|2.745562|1.869883|0.047378|1.942394|1.758885|11.728566|2.642830|2.919813|1.813634|1.842491|1.728220|1.532747|1.521116|1.643584|6.595342|3.449678|7.418357|0.500000| |8.781480|17.751275|8.942370|5.634348|4.881983|5.589480|4.069101|4.579364|2.732533|2.362125|3.229831|0.064836|2.789938|3.422172|2.049080|1.932676|3.614843|2.357154|1.623346|0.041846|1.705493|1.559061|10.264181|2.349043|2.537827|1.553142|1.615106|1.559468|1.397264|1.366099|1.446221|7.767120|4.652135|12.172987|0.213330|0.500000| |5.609346|4.881453|5.632860|8.957564|17.743178|8.770405|6.960561|8.982097|4.797716|4.128867|5.020408|0.090988|4.362479|5.141489|3.067100|2.572358|4.538745|3.053810|1.964366|0.050638|1.955997|1.710088|11.484639|2.655831|2.753724|1.835552|2.167018|2.039216|1.820262|1.813901|1.905819|12.226964|4.661944|7.776297|0.123443|0.106351|0.500000| |7.358820|4.771768|4.022114|4.226210|5.573162|8.892801|17.469229|12.247866|6.884805|4.543298|5.654922|0.116611|4.593813|7.045439|3.139928|2.816726|5.430000|3.208554|2.127829|0.053258|2.141465|1.908907|13.027113|2.916316|3.233337|2.086802|2.135723|1.935674|1.709691|1.732597|1.904111|5.841589|2.865139|5.563495|0.227611|0.113401|0.139656|0.500000| |5.960379|4.318777|4.035664|4.677056|6.779321|8.925192|17.569320|12.596075|7.489124|4.869676|5.439732|0.105421|4.250145|5.711761|3.100547|2.655249|4.896177|3.068872|1.999069|0.050739|1.968866|1.748257|12.046110|2.743236|2.953862|1.943334|2.108935|1.912780|1.712576|1.750503|1.894929|6.545796|3.062685|5.639668|0.154325|0.099904|0.189863|0.302819|0.500000| |3.762655|2.967823|2.751500|3.008392|3.787419|4.513874|6.843788|12.220799|17.402512|8.854150|9.343771|0.205699|5.787184|7.123664|4.598168|3.914907|7.604416|4.201887|2.678966|0.065675|2.560640|2.234300|15.775769|3.493326|3.881092|2.679766|2.737425|2.339744|2.048695|2.142483|2.441306|4.563854|2.229977|4.111157|0.108004|0.073757|0.108930|0.197071|0.177167|0.500000| |3.722767|2.986973|2.884952|3.312448|4.339588|4.807448|7.302641|12.487109|17.600579|9.008388|7.637736|0.143913|4.972031|5.742496|4.140367|3.322348|6.001691|3.727595|2.347672|0.059090|2.222111|1.943849|13.714318|3.117470|3.331025|2.300835|2.563371|2.227060|1.989610|2.091160|2.311050|5.073536|2.407803|4.309688|0.100857|0.072672|0.134646|0.173465|0.234716|0.302085|0.500000| |2.753525|2.339957|2.288085|2.563805|3.107008|3.275762|4.167049|7.681449|8.801417|17.617619|12.373205|0.223021|5.617969|4.986208|7.083525|5.023939|8.517155|5.333638|3.143504|0.077740|2.790612|2.369654|17.157601|3.882093|4.064335|3.082096|3.634225|2.912381|2.559684|2.794714|3.249208|4.117418|2.000136|3.556100|0.075557|0.058652|0.094977|0.108211|0.115121|0.215816|0.212686|0.500000| |3.092295|2.642011|2.665225|3.120802|3.900197|3.870801|4.753699|9.598434|8.838083|17.627422|12.397298|0.180473|6.981203|5.823668|7.021020|4.569208|7.436166|4.998601|2.911627|0.073273|2.669620|2.233763|15.559401|3.568652|3.636624|2.706064|3.559575|3.001366|2.610938|2.752685|3.047976|5.032645|2.359004|4.110780|0.081351|0.064705|0.126624|0.113142|0.130164|0.173367|0.216867|0.299424|0.500000| |3.410776|2.966588|2.872223|3.111371|3.597222|3.828099|4.159930|7.686066|4.987621|5.628185|12.383492|0.229196|17.648455|8.802460|7.155779|6.652942|12.488529|6.638306|3.996895|0.094086|4.183580|3.218531|20.159092|4.385655|4.637741|3.442982|3.998250|3.572379|2.803788|2.702689|3.094566|4.908559|2.412025|4.438447|0.092321|0.074492|0.101207|0.109548|0.097825|0.130287|0.109342|0.126918|0.143084|0.500000| |3.623023|3.149501|3.196379|3.712157|4.501324|4.421401|4.768500|9.663375|5.855756|7.006671|12.386153|0.182297|17.628494|8.860036|7.031735|5.141660|8.552643|5.532139|3.244347|0.080285|3.202592|2.569743|16.728668|3.778959|3.856200|2.836055|3.742063|3.379126|2.752894|2.691729|2.960382|5.899888|2.754820|4.890601|0.093127|0.076475|0.136246|0.114475|0.114650|0.133969|0.131001|0.143134|0.209326|0.298496|0.500000| |6.141914|4.787183|4.422139|4.820213|6.056135|7.340561|7.275934|12.490654|5.747896|4.966581|7.631831|0.145690|9.007693|17.633100|4.147874|3.682079|6.999815|4.093395|2.643055|0.065310|2.754911|2.334203|15.107017|3.359977|3.626914|2.440105|2.677650|2.477656|2.094073|2.049619|2.251928|6.791385|3.234542|6.218346|0.156922|0.112057|0.153385|0.179950|0.145986|0.144579|0.127990|0.109272|0.130196|0.212388|0.216397|0.500000| |4.810022|3.717025|3.323155|3.502302|4.296733|5.403369|6.819545|12.229758|7.144808|5.805959|9.371737|0.209645|8.855955|17.405096|4.616247|4.270978|8.842612|4.515728|2.937750|0.070721|3.022355|2.573305|17.033456|3.696996|4.160193|2.814039|2.824225|2.509149|2.118176|2.117716|2.401857|5.153019|2.542007|4.861144|0.139860|0.092112|0.114225|0.202175|0.142373|0.211993|0.144657|0.130746|0.133806|0.215129|0.173467|0.302066|0.500000| |2.343709|2.073344|2.060151|2.284153|2.642140|2.688287|3.107293|5.511793|4.778727|7.578494|12.356389|0.208625|5.659709|4.189488|17.619977|8.799974|11.318550|9.116725|4.520320|0.110698|3.679341|2.936587|21.127628|4.826808|4.719167|4.074024|6.442828|4.459006|3.697127|4.130826|5.175804|3.780898|1.860264|3.284984|0.063794|0.052664|0.079763|0.081282|0.082632|0.123015|0.115743|0.229890|0.197892|0.143131|0.150861|0.097793|0.109236|0.500000| |2.536832|2.274329|2.295473|2.570309|2.946436|2.919781|3.223158|5.821310|4.443179|6.393883|12.367754|0.186027|7.497868|4.755822|17.659736|8.654722|10.876809|9.271906|4.525857|0.111682|3.986411|3.035970|20.294499|4.648107|4.467954|3.702725|6.691370|5.262640|3.987832|3.999567|4.625084|4.285184|2.087668|3.668260|0.067698|0.057350|0.089016|0.082432|0.083161|0.110132|0.105627|0.156693|0.187629|0.196613|0.225588|0.115217|0.116669|0.301451|0.500000| |1.902753|1.782128|1.748296|1.815099|1.935533|1.988829|2.078250|3.271501|2.390372|2.704530|4.636882|0.097282|3.423435|2.824180|3.979100|5.392326|9.168182|9.005119|8.747452|0.219529|17.594357|8.741367|38.083854|8.324897|7.251682|5.587482|5.163733|5.520517|4.010449|3.456292|4.052528|3.059546|1.595482|2.898321|0.052777|0.047310|0.054397|0.057163|0.053087|0.066471|0.059024|0.072609|0.071976|0.113978|0.089354|0.075517|0.079445|0.096075|0.110366|0.500000| |2.136192|1.958493|1.883886|1.946615|2.110258|2.228223|2.380254|3.785823|2.791845|3.124681|5.595969|0.125305|4.067203|3.376686|4.549440|6.816364|14.111777|9.416976|8.814067|0.175220|17.657483|8.821797|41.621060|7.867623|8.541071|6.745587|4.674082|4.285821|3.266028|3.052637|3.735536|3.212050|1.667563|3.069246|0.060186|0.051930|0.058835|0.066627|0.059981|0.079738|0.067342|0.083709|0.079898|0.140423|0.099383|0.088015|0.099136|0.106746|0.117096|0.302034|0.500000| |1.607278|1.514224|1.472557|1.507293|1.593883|1.652391|1.730531|2.637273|1.958619|2.150800|3.483314|0.074961|2.504986|2.204976|2.855342|3.658998|6.631847|5.837743|6.182788|0.176212|8.643156|17.627203|57.731764|13.020182|10.248057|5.540897|3.618748|3.715224|3.165878|2.878345|3.327950|2.546211|1.348240|2.461090|0.045192|0.040779|0.044498|0.048409|0.044792|0.055627|0.049337|0.059312|0.056785|0.079143|0.065193|0.059026|0.063509|0.073293|0.076712|0.221857|0.176054|0.500000| |1.769563|1.650725|1.580689|1.604326|1.706337|1.802753|1.902119|2.889802|2.141769|2.307717|3.789247|0.084259|2.743269|2.462968|2.976884|3.885083|7.695964|5.666706|5.704891|0.139469|8.662512|17.639893|57.108225|9.924640|12.643580|5.740665|3.302615|3.192222|2.685311|2.529188|2.977553|2.671979|1.415687|2.616151|0.050408|0.044614|0.047173|0.054023|0.048722|0.061986|0.053311|0.063315|0.059664|0.087989|0.069255|0.065640|0.073013|0.075239|0.077865|0.187759|0.226047|0.300127|0.500000| |1.917424|1.731037|1.658348|1.726734|1.901748|2.025163|2.252760|3.559560|2.838445|3.232631|5.418514|0.128446|3.408882|2.955178|4.468937|6.646829|13.977790|9.161226|8.719560|0.174442|6.819851|6.211001|57.307335|9.726172|12.431236|17.659657|4.638176|3.696120|3.098720|3.232500|4.320455|2.845708|1.472396|2.691209|0.054639|0.045840|0.053756|0.063856|0.058449|0.084078|0.069704|0.093802|0.079956|0.104101|0.083359|0.073677|0.088362|0.117875|0.104693|0.138154|0.193581|0.131415|0.154951|0.500000| |1.679510|1.534994|1.491351|1.563389|1.709391|1.784099|1.965021|3.080614|2.468341|2.864086|4.560154|0.101200|2.861594|2.469649|3.990257|5.393765|9.245143|8.917186|8.640328|0.217471|5.552562|5.310271|57.398260|12.510861|10.782182|17.620036|5.241669|4.081909|3.628332|3.992750|5.726930|2.615876|1.354867|2.446620|0.047330|0.040632|0.048852|0.054869|0.051925|0.071259|0.062330|0.084880|0.073303|0.084874|0.073172|0.062356|0.071367|0.112429|0.097086|0.123807|0.137052|0.125601|0.123006|0.297737|0.500000| |1.984211|1.818387|1.833285|2.008298|2.227571|2.209823|2.404931|4.015644|3.153917|4.155633|6.797789|0.124383|4.181850|3.166532|8.159425|7.521743|9.047727|12.518346|5.599115|0.151255|4.270666|3.286673|23.000018|5.537234|4.829177|4.341173|17.649898|8.931684|6.524864|7.136369|9.036808|3.422009|1.712833|3.001023|0.053677|0.046795|0.066371|0.063249|0.063712|0.082495|0.079295|0.116583|0.118408|0.118218|0.118995|0.079665|0.082885|0.234760|0.250650|0.118509|0.113231|0.084878|0.080296|0.112397|0.120400|0.500000| |1.871945|1.763272|1.798568|1.947726|2.089751|2.039910|2.122546|3.428540|2.525989|3.055803|4.971046|0.092966|3.565844|2.780881|4.845120|5.013539|6.982295|8.532299|4.966757|0.146395|4.429989|3.385438|21.600039|5.355627|4.472208|3.612962|8.738736|17.567726|8.636074|5.949146|5.721380|3.384116|1.719052|3.003399|0.050258|0.045766|0.061252|0.055873|0.055596|0.066243|0.063956|0.081681|0.088241|0.107077|0.104799|0.073906|0.072499|0.122581|0.161927|0.141208|0.112273|0.092304|0.082024|0.091414|0.095470|0.228357|0.500000| |1.736167|1.634228|1.640922|1.743372|1.862443|1.857604|1.943941|3.087618|2.298919|2.713198|4.450638|0.087887|3.142123|2.533325|4.197578|5.025660|7.282523|9.805523|6.967510|0.239791|6.044765|4.521215|28.012989|7.155269|5.452027|4.559550|8.727661|17.598013|8.727888|5.893474|6.314070|3.001089|1.547795|2.742748|0.047334|0.042925|0.053702|0.052236|0.050790|0.062067|0.058064|0.074070|0.075339|0.097033|0.087440|0.067160|0.068395|0.107336|0.125070|0.203096|0.136061|0.126950|0.102790|0.107971|0.117596|0.176766|0.304801|0.500000| |1.542352|1.465854|1.500428|1.618062|1.718278|1.669626|1.736863|2.721626|2.045057|2.419402|3.652706|0.069781|2.546978|2.117746|3.358241|3.400043|5.027410|5.640853|3.678068|0.116637|3.190622|2.720835|18.613464|4.926166|3.907325|2.980360|5.855625|8.659251|17.599149|8.696030|5.695256|2.850905|1.465164|2.538241|0.041545|0.038334|0.050508|0.045957|0.046506|0.054065|0.053429|0.067021|0.070221|0.073427|0.074296|0.056388|0.055922|0.093461|0.103664|0.096534|0.079810|0.076766|0.066268|0.074146|0.083881|0.153784|0.222718|0.183359|0.500000| |1.473674|1.396831|1.411985|1.502929|1.595659|1.576973|1.649907|2.568112|1.942540|2.270528|3.483101|0.068619|2.406346|2.022981|3.176852|3.474317|5.227326|6.117465|4.398485|0.153827|3.706422|3.246074|22.578816|6.293035|4.567684|3.521191|6.040349|8.770735|17.581006|8.797762|6.535624|2.621219|1.359257|2.383812|0.040134|0.036805|0.046343|0.044280|0.043984|0.052381|0.050435|0.063612|0.064017|0.070726|0.067984|0.053676|0.054561|0.087923|0.093216|0.111643|0.088241|0.093990|0.076514|0.083776|0.100006|0.138188|0.180050|0.229664|0.304059|0.500000| |1.588121|1.483691|1.508842|1.641735|1.780673|1.744028|1.865313|2.959270|2.317897|2.843031|4.153216|0.079027|2.699659|2.241811|3.967954|3.825333|5.503806|6.208336|3.774260|0.114714|3.028978|2.593033|18.970373|4.940908|4.043325|3.252635|6.938196|6.433847|8.759072|17.529251|8.829652|2.859846|1.453780|2.519404|0.042966|0.038572|0.053008|0.049313|0.050626|0.061231|0.061123|0.082156|0.082515|0.075163|0.077811|0.058013|0.059356|0.121635|0.116829|0.085444|0.077751|0.070364|0.063640|0.081829|0.096699|0.204537|0.155801|0.135149|0.220852|0.174998|0.500000| |1.431120|1.343331|1.355729|1.454019|1.562638|1.547301|1.648780|2.568503|2.005073|2.380453|3.504002|0.068985|2.307948|1.963636|3.213423|3.346562|5.014493|5.614518|3.805791|0.123450|3.028918|2.710427|20.512812|5.649411|4.305034|3.383307|5.679477|5.622489|8.668318|17.602095|8.707493|2.528263|1.302575|2.275167|0.039060|0.035257|0.045873|0.044208|0.044655|0.054098|0.052881|0.069110|0.067228|0.065477|0.064994|0.051161|0.053021|0.095854|0.090991|0.084805|0.075420|0.075177|0.065553|0.082089|0.103829|0.142542|0.126615|0.132641|0.193319|0.221361|0.303160|0.500000| |1.583591|1.467866|1.458537|1.552050|1.684521|1.704596|1.842909|2.910165|2.295231|2.751465|4.278713|0.087389|2.737256|2.288992|4.065043|4.851165|7.102093|9.392458|6.868754|0.244880|4.536678|3.943496|31.877531|8.741976|6.184423|5.962407|8.750197|6.706826|6.838529|8.839051|17.562725|2.649490|1.364376|2.419298|0.043714|0.038587|0.048941|0.050081|0.049188|0.063302|0.058985|0.080462|0.074535|0.079840|0.074065|0.058710|0.063173|0.118560|0.107899|0.118939|0.107719|0.105100|0.090721|0.130548|0.195627|0.175255|0.136701|0.173992|0.138140|0.183963|0.174075|0.216744|0.500000| |1.679216|1.540457|1.534982|1.654590|1.822386|1.838565|2.023139|3.243556|2.639329|3.296021|4.952557|0.098967|2.994970|2.484438|4.897283|5.224706|7.362404|8.843566|5.256994|0.153009|3.718328|3.173482|25.168645|6.384280|5.279843|4.888912|8.691585|5.592232|5.607761|8.644781|17.559198|2.816770|1.433616|2.526920|0.046178|0.040146|0.053703|0.054484|0.054610|0.071987|0.068352|0.100067|0.089824|0.083975|0.081630|0.062500|0.067768|0.159792|0.126078|0.097086|0.095359|0.082433|0.076777|0.120182|0.159676|0.220943|0.127057|0.131447|0.125671|0.134224|0.215480|0.197722|0.302162|0.500000| 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