Version2.0 2020-01-09T21:58:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1OC[C@H](C[NH+](Cc2ccccc2Cl)C[C@@H]3CC(=NO3)c4ccc5c(c4)OCO5)O C36146627 RHF 6-31G(d) (6D,7F) Cc1ccccc1OC[C@H](C[NH+](Cc2ccccc2Cl)C[C@@H]3CC(=NO3)c4ccc5c(c4)OCO5)O C01[X(C28H30Cl1N2O5)] 192 C1 604 O[C@@H](C[NH+](Cc1ccccc1Cl)C[C@H]1ON=C(C1)c1ccc2c(c1)OCO2)COc1ccccc1C O[C@@H](C[NH+](Cc1ccccc1Cl)C[C@H]1ON=C(C1)c1ccc2c(c1)OCO2)COc1ccccc1C Cc1ccccc1OC[C@@H](O)C[NH+](C[C@@H]2CC(=NO2)c3ccc4OCOc4c3)Cc5ccccc5Cl InChIKey=QIBQNQZVOVXALC-GOTSBHOMSA-O InChI=1S/C28H29ClN2O5/c1-19-6-2-5-9-26(19)33-17-22(32)15-31(14-21-7-3-4-8-24(21)29)16-23-13-25(30-36-23)20-10-11-27-28(12-20)35-18-34-27/h2-12,22-23,32H,13-18H2,1H3/p+1/t22-,23-/m0/s1 InChI=1/C28H29ClN2O5/c1-19-6-2-5-9-26(19)33-17-22(32)15-31(14-21-7-3-4-8-24(21)29)16-23-13-25(30-36-23)20-10-11-27-28(12-20)35-18-34-27/h2-12,22-23,32H,13-18H2,1H3/p+1/t22-,23-/m0/s1/fC28H30ClN2O5/h31H/q+1 Cc1ccccc1OC[C@H](C[NH+](Cc2ccccc2Cl)C[C@@H]3CC(=NO3)c4ccc5c(c4)OCO5)O C01[X(C28H30Cl1N2O5)] 192 C01 604 O[C@@H](C[NH+](Cc1ccccc1Cl)C[C@H]1ON=C(C1)c1ccc2c(c1)OCO2)COc1ccccc1C O[C@@H](C[NH](Cc1ccccc1Cl)C[C@H]1ON=C(C1)c1ccc2c(c1)OCO2)COc1ccccc1C Cc1ccccc1OC[C@@H](O)C[NH](C[C@@H]2CC(=NO2)c3ccc4OCOc4c3)Cc5ccccc5Cl InChIKey=KFOBNRLBNFSRFC-GOTSBHOMSA-N InChI=1S/C28H30ClN2O5/c1-19-6-2-5-9-26(19)33-17-22(32)15-31(14-21-7-3-4-8-24(21)29)16-23-13-25(30-36-23)20-10-11-27-28(12-20)35-18-34-27/h2-12,22-23,31-32H,13-18H2,1H3/t22-,23-/m0/s1 InChI=1/C28H30ClN2O5/c1-19-6-2-5-9-26(19)33-17-22(32)15-31(14-21-7-3-4-8-24(21)29)16-23-13-25(30-36-23)20-10-11-27-28(12-20)35-18-34-27/h2-12,22-23,31-32H,13-18H2,1H3/t22-,23-/m0/s1 3791.7342104543 -2020.1868156 1-A 32422.4128 134 470 604 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4910.38 4911.80 4928.88 5271.77 5850.28 0.585086 0.615788 0.616732 0.515215 -2019.601729 -2019.571028 -2019.570084 -2019.671601 3.404897D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2020 DUDE Cc1ccccc1OC[C@H](C[NH+](Cc2ccccc2Cl)C[C@@H]3CC(=NO3)c4ccc5c(c4)OCO5)O C36146627 RHF 6-31G(d) (6D,10F) C1 509.184325 |X|Y|Z| 156.965954 83.929739 27.200977 71.028931 33 6 7 8 27 2 4 |36.858105| |12.621787|36.858105| |7.540239|13.774524|36.858105| |4.996968|7.864107|13.706335|36.858105| |4.426012|6.816157|7.971733|13.829845|36.858105| |5.008013|7.861209|6.902399|7.938803|13.699223|36.858105| |7.541630|13.640563|8.011469|6.895437|7.958983|13.797892|36.858105| |6.916515|8.145359|5.290859|4.609773|5.187033|7.870204|13.889935|73.516695| |4.599835|5.239639|3.990008|3.791759|4.512304|6.725970|7.940871|24.315356|36.858105| |4.082470|4.123789|3.223798|2.990085|3.347522|4.418002|5.250483|14.666704|12.524235|36.858105| |4.223619|4.091735|3.188062|2.904955|3.175069|4.080821|4.961530|13.389519|8.993145|17.559087|0.500000| |3.081336|3.162606|2.628313|2.527109|2.856234|3.604933|3.894252|9.190185|7.566655|12.463421|0.243639|36.858105| |2.735402|2.698944|2.280459|2.169848|2.380902|2.879804|3.139519|7.101648|4.998601|7.643997|0.181062|12.704154|53.358707| |2.897902|2.817422|2.361639|2.222765|2.416803|2.921195|3.244113|7.399534|5.005462|7.633601|0.173180|9.533986|25.651182|0.500000| |2.278667|2.284253|1.988558|1.928829|2.121600|2.501073|2.625567|5.609113|3.862452|4.966843|0.120810|7.552003|16.950572|0.259032|36.858105| |2.052717|2.082292|1.841063|1.808801|1.998440|2.326768|2.388579|4.971814|3.415057|4.124459|0.105492|6.084866|10.095348|0.156486|12.611704|36.858105| |1.880542|1.881709|1.676093|1.638611|1.785082|2.045595|2.113612|4.346160|2.872604|3.443913|0.092674|4.591098|7.694523|0.126028|7.614094|13.651263|36.858105| |1.708310|1.721320|1.553199|1.531099|1.666896|1.885163|1.921828|3.869574|2.525535|2.900923|0.079304|3.685330|5.608928|0.096005|5.026813|7.855643|13.782338|36.858105| |1.669435|1.709352|1.554794|1.551883|1.706147|1.922996|1.923729|3.821372|2.518221|2.788522|0.075345|3.539022|5.007952|0.086786|4.421989|6.805571|7.964947|13.762742|36.858105| |1.779310|1.848182|1.677788|1.688469|1.882995|2.142378|2.115005|4.205650|2.844722|3.096473|0.081277|4.075924|5.491938|0.094624|4.974451|7.859370|6.901960|7.948398|13.771707|36.858105| |1.976461|2.050671|1.835344|1.835252|2.057328|2.385599|2.378263|4.838131|3.369315|3.785025|0.095884|5.419594|7.404392|0.123001|7.436741|13.655078|7.989647|6.893636|7.957186|13.766260|36.858105| |2.087960|2.223596|1.998831|2.032457|2.329510|2.724221|2.636230|5.284991|3.782404|3.951922|0.095193|5.487909|6.639645|0.118708|6.027467|6.923147|4.738639|4.225342|4.794094|7.124939|10.896635|448.794386| |2.663342|2.549152|2.159568|2.028303|2.181262|2.591005|2.870431|6.413160|4.199522|6.217956|0.179588|7.643908|17.253007|0.260456|7.428798|5.987680|5.619707|4.182040|3.545478|3.613025|4.429647|29.977649|36.858105| |2.459494|2.298370|1.970970|1.837187|1.938675|2.250734|2.502226|5.424984|3.346305|4.563384|0.130494|5.005885|10.274026|0.207136|5.883408|4.688218|4.748147|3.638063|3.033032|3.005273|3.550814|24.577223|12.524288|36.858105| |2.646906|2.435644|2.072067|1.912300|2.004729|2.330937|2.629779|5.742718|3.460509|4.733061|0.131785|4.849269|9.558882|0.227962|5.355074|4.075857|3.926969|3.099362|2.675590|2.710812|3.217028|23.441321|8.879899|17.533479|0.500000| |2.311676|2.128256|1.844231|1.710557|1.780592|2.033762|2.263028|4.793094|2.854156|3.682542|0.111166|3.817176|6.660508|0.132149|4.105576|3.661305|3.940930|3.260167|2.722046|2.615017|2.933167|20.332669|7.466401|12.450564|0.244777|36.858105| |1.974425|1.839484|1.622846|1.520727|1.581197|1.780835|1.946098|4.020166|2.397275|2.963786|0.086162|3.160897|5.482256|0.109592|3.767511|3.446394|3.881687|3.261123|2.668945|2.507814|2.763040|18.947232|5.329245|8.198015|0.180744|12.603879|36.858105| |1.907602|1.801771|1.594174|1.506066|1.577805|1.780093|1.925715|3.973392|2.410860|2.976654|0.083774|3.299210|5.964307|0.119223|4.404212|3.951319|4.511503|3.637191|2.915613|2.741484|3.067265|20.723140|5.425454|8.292448|0.183286|8.229582|15.130746|53.358707| |2.114613|2.011537|1.758532|1.662533|1.759902|2.016564|2.188421|4.610898|2.868778|3.686925|0.101381|4.270830|8.648337|0.170881|6.342915|5.139921|5.548586|4.084450|3.272615|3.174177|3.737743|25.000716|7.924733|13.517207|0.259963|8.191396|8.782970|18.681351|73.516695| |1.778028|1.652811|1.476442|1.384976|1.428126|1.586590|1.724597|3.492887|2.049043|2.446946|0.071482|2.557426|4.189670|0.084176|2.934097|2.778139|3.134523|2.788177|2.329586|2.167205|2.321199|16.147497|3.833600|5.063562|0.123829|7.201675|12.936758|10.838118|9.451738|36.858105| |1.794214|1.652548|1.478939|1.379975|1.412473|1.561672|1.705916|3.435268|1.984429|2.343195|0.069793|2.385117|3.768594|0.075710|2.571096|2.458083|2.725719|2.482220|2.121886|1.983457|2.103638|14.840012|3.451832|4.280750|0.107679|6.284917|7.697543|7.148835|7.311699|13.775764|36.858105| |1.616007|1.492933|1.351362|1.265001|1.288266|1.409234|1.528799|3.031254|1.738388|2.004843|0.059344|2.031418|3.132997|0.063119|2.174048|2.106039|2.324281|2.171714|1.887761|1.761691|1.842142|13.131636|2.756972|3.260111|0.084314|4.299474|5.046923|5.379264|5.699426|7.834919|13.601282|36.858105| |1.476982|1.376089|1.253473|1.180625|1.204598|1.312363|1.412165|2.782316|1.603808|1.834095|0.053481|1.880946|2.908994|0.058723|2.071050|2.016775|2.238690|2.108966|1.832884|1.702567|1.770445|12.616496|2.494537|2.940920|0.076516|3.650619|4.521404|5.181058|5.383301|6.950446|8.095688|13.968521|36.858105| |1.467212|1.375629|1.251424|1.183285|1.213799|1.326522|1.422093|2.811401|1.636662|1.881775|0.054202|1.961380|3.089208|0.062404|2.246986|2.182408|2.449163|2.287175|1.961718|1.814402|1.894153|13.388925|2.626800|3.160712|0.081693|3.805436|5.131094|6.182914|6.087400|8.067087|6.982139|7.913919|13.710575|36.858105| |1.588981|1.490585|1.345208|1.270871|1.310693|1.444721|1.553626|3.106905|1.825883|2.137167|0.061344|2.256177|3.657078|0.073770|2.669355|2.560382|2.905973|2.638960|2.215261|2.047687|2.167679|15.127350|3.166850|3.993883|0.100873|4.872253|7.645621|9.127124|8.029668|13.484017|7.850253|6.717497|7.917027|14.029379|36.858105| |1.334218|1.258405|1.153499|1.095936|1.123363|1.219926|1.298671|2.543785|1.479972|1.678052|0.047936|1.752356|2.726555|0.055188|2.015174|1.972502|2.201288|2.088743|1.814803|1.678994|1.737487|12.374706|2.255781|2.642001|0.069254|3.027408|3.867478|4.981462|5.136698|5.197856|4.690858|5.403535|8.540959|14.103801|7.800532|73.516695| |1.272455|1.197529|1.102952|1.046996|1.067984|1.153323|1.227525|2.387968|1.378184|1.547459|0.044440|1.597341|2.442529|0.049477|1.785110|1.753387|1.935727|1.856754|1.637894|1.521781|1.565769|11.261597|2.014400|2.312039|0.061153|2.661267|3.215120|4.055046|4.356913|4.208894|4.218759|5.350167|8.575341|8.569575|5.358044|24.017345|36.858105| |1.347087|1.259694|1.156728|1.093022|1.112042|1.202668|1.287092|2.510310|1.441547|1.624521|0.047160|1.661398|2.530489|0.051162|1.816090|1.780794|1.962242|1.876572|1.654941|1.539878|1.587630|11.415795|2.122696|2.437519|0.064242|2.903670|3.439828|4.141065|4.467542|4.684047|5.219485|7.800193|14.177896|8.549381|5.414471|14.914353|13.473212|73.516695| |4.196705|4.008452|3.136518|2.846669|3.085849|3.917913|4.763148|12.483636|7.910686|13.596496|0.258868|8.147586|9.936949|0.257277|4.865380|3.762717|3.192610|2.657357|2.510936|2.747812|3.353314|28.180697|5.874322|4.904805|0.156351|3.821780|3.098465|4.269758|6.966959|2.538122|2.406442|2.051917|1.883910|1.944369|2.220689|3.079698|1.591084|2.959242|73.516695| |17.536609|8.829845|5.898097|4.293535|3.963632|4.570958|6.651516|12.172498|4.670677|4.325676|0.120549|3.231076|3.980584|0.088325|2.419601|2.134092|1.944852|1.747116|1.695798|1.809782|2.032419|17.273331|2.813696|2.638489|0.080680|2.442253|2.084903|2.755010|4.015984|1.862982|1.864948|1.670416|1.529953|1.528176|1.664319|2.466701|1.317166|2.472117|8.540039|0.500000| |17.557967|8.833826|5.848573|4.274318|3.964503|4.596877|6.729386|12.469602|4.757615|4.406126|0.134611|3.262621|3.936584|0.084017|2.366391|2.144395|1.979627|1.797473|1.746616|1.848839|2.048999|17.065256|2.895307|2.647003|0.078414|2.522810|2.115703|2.748269|3.975255|1.901574|1.935944|1.733637|1.569056|1.549776|1.680541|2.488686|1.336154|2.531852|7.764389|0.302206|0.500000| |17.598148|8.884084|7.267086|4.751260|3.971230|4.171565|5.575265|8.863108|3.654900|3.321039|0.095644|2.625180|3.241079|0.069806|2.025074|1.841434|1.705379|1.562259|1.527457|1.616931|1.777207|14.993542|2.343780|2.205025|0.065693|2.107056|1.824037|2.391253|3.412336|1.665684|1.692177|1.540425|1.410665|1.394547|1.497505|2.264701|1.222384|2.301974|6.098103|0.302116|0.301628|0.500000| |7.013300|8.975584|17.714267|8.925973|5.667926|4.967007|5.679810|7.596079|3.331479|2.826063|0.078632|2.339871|2.827473|0.059906|1.823792|1.691485|1.555927|1.446523|1.441913|1.542604|1.677065|14.494294|1.994224|1.849439|0.054113|1.751560|1.549691|2.062656|2.942089|1.422294|1.432662|1.317134|1.221779|1.214815|1.298680|1.994726|1.077616|2.011755|4.981630|0.153514|0.151492|0.224251|0.500000| |4.082549|5.620538|8.900133|17.733140|8.926861|5.641534|4.964919|6.504802|3.133421|2.559687|0.069415|2.217912|2.634331|0.054949|1.745028|1.648692|1.504565|1.415972|1.438484|1.558124|1.677841|14.858495|1.820371|1.665057|0.048003|1.561747|1.401442|1.889755|2.702788|1.286141|1.283677|1.184569|1.109376|1.110543|1.186746|1.836608|0.990134|1.834733|4.368726|0.099614|0.099054|0.113234|0.215498|0.500000| |3.541745|4.923166|5.653361|8.926183|17.726364|8.929163|5.663446|7.447433|3.915164|2.986377|0.078390|2.650290|3.024699|0.062164|2.020851|1.928419|1.723230|1.623675|1.678761|1.860906|2.013803|18.497763|2.029210|1.805992|0.051516|1.660221|1.488960|2.032186|2.951004|1.349654|1.331440|1.219311|1.145630|1.156755|1.246408|1.911423|1.022505|1.886494|4.880937|0.090301|0.090321|0.090392|0.124340|0.214392|0.500000| |4.079381|5.602078|4.970054|5.661966|8.940645|17.751776|8.882098|12.545982|7.488352|4.691735|0.116489|4.006493|4.209792|0.085770|2.716125|2.551070|2.206318|2.034694|2.100978|2.382380|2.669367|25.206397|2.717325|2.317997|0.066009|2.069074|1.818099|2.495403|3.724025|1.610165|1.573145|1.415772|1.322808|1.344085|1.469669|2.198895|1.164654|2.152264|7.099798|0.107392|0.108157|0.095851|0.107810|0.124384|0.216904|0.500000| |4.073582|4.753049|3.804767|3.751166|4.593962|6.765903|7.013367|16.534311|17.549216|8.855214|0.174894|6.955728|6.505875|0.136211|3.921415|3.421120|2.815686|2.474284|2.496035|2.875144|3.451807|33.202371|3.808153|3.120385|0.090403|2.627148|2.263851|3.154118|4.912838|1.940118|1.859893|1.638943|1.528023|1.571023|1.752271|2.544011|1.329233|2.452356|12.655494|0.117928|0.111341|0.092519|0.088327|0.086870|0.113571|0.226813|0.500000| |4.074272|4.749172|3.801648|3.745865|4.582239|6.734568|6.991842|16.476801|17.543623|8.827929|0.216096|6.820342|6.121234|0.118578|3.615595|3.383099|2.871856|2.582883|2.623583|2.979326|3.447341|30.877758|3.925969|3.088214|0.086055|2.698937|2.282410|3.111907|4.774056|1.969994|1.919094|1.690714|1.559839|1.586120|1.759904|2.555801|1.343293|2.500888|10.126524|0.109643|0.119643|0.092751|0.088297|0.086773|0.113283|0.225084|0.299362|0.500000| |2.919977|3.082727|2.606278|2.557710|2.943876|3.715711|3.847121|8.671519|7.259085|8.881180|0.174233|17.688377|12.486837|0.222732|7.458592|5.989100|4.300392|3.517834|3.499027|4.221729|5.824427|55.812237|5.626419|4.165179|0.114901|3.237792|2.801235|4.056232|6.739402|2.308162|2.142893|1.852090|1.736986|1.821060|2.080624|2.927968|1.502148|2.752966|12.418819|0.085389|0.083452|0.069597|0.064096|0.062501|0.076925|0.118435|0.220105|0.180359|0.500000| |2.851320|2.951346|2.495314|2.426737|2.751569|3.423136|3.604138|8.148208|6.468977|8.724517|0.216768|17.637868|12.295159|0.183347|6.590007|6.433815|4.971217|4.113572|4.024394|4.655607|6.025247|45.185325|7.121771|4.577250|0.117008|3.694539|3.075113|4.317594|7.086526|2.520769|2.371364|2.028005|1.873819|1.944228|2.223468|3.089693|1.589575|2.947805|10.327619|0.080866|0.085006|0.068314|0.061899|0.059578|0.071770|0.106699|0.159646|0.188064|0.301549|0.500000| |2.146035|2.116429|1.853401|1.785938|1.936086|2.247897|2.378953|5.020666|3.308558|4.199686|0.105819|5.599880|12.400681|0.228602|17.708704|8.924548|7.247624|4.781979|4.009307|4.228716|5.664210|37.304895|6.995135|6.670654|0.167478|4.487332|4.338337|7.409046|15.128776|3.286903|2.788094|2.336844|2.247312|2.485250|3.018414|3.945835|1.936037|3.475535|7.762134|0.063715|0.061833|0.053509|0.047711|0.045169|0.051190|0.066668|0.092716|0.085557|0.150164|0.138434|0.500000| |2.295002|2.335070|2.041464|1.996948|2.215518|2.616555|2.708907|5.724903|3.983200|4.856054|0.112938|7.115324|12.429572|0.233126|17.670597|8.832086|5.659794|4.195475|3.947608|4.664795|6.998367|56.502633|5.559767|4.674184|0.126910|3.431837|3.184457|4.983815|8.752369|2.564506|2.277527|1.959206|1.878081|2.029367|2.371144|3.278534|1.645855|2.962468|8.697632|0.068091|0.065123|0.056591|0.051758|0.050150|0.058884|0.079739|0.118261|0.101857|0.232536|0.163721|0.301974|0.500000| |1.879103|1.851674|1.644626|1.592544|1.716618|1.960652|2.054319|4.241408|2.744365|3.354003|0.091616|4.282907|7.686334|0.129928|7.136441|8.932332|17.736938|8.955262|5.665539|4.969664|5.673274|31.352769|6.182493|5.738405|0.125530|4.735758|4.876872|8.150268|13.263159|3.771830|3.159658|2.636134|2.541967|2.830048|3.468466|4.446514|2.161205|3.893753|5.709453|0.054319|0.055116|0.047476|0.042661|0.040650|0.045756|0.057978|0.074121|0.074985|0.108835|0.123747|0.220087|0.144854|0.500000| |1.604817|1.604938|1.455064|1.429915|1.543047|1.729309|1.770065|3.538388|2.263344|2.586172|0.071843|3.153746|4.811739|0.084629|4.111710|5.615319|8.937629|17.738643|8.905960|5.648761|4.964672|27.399238|3.751558|3.421613|0.080769|3.212635|3.316537|4.977594|6.889758|2.914379|2.591102|2.286368|2.239129|2.438243|2.797670|3.970392|1.979243|3.546115|4.267183|0.045505|0.047005|0.041049|0.037885|0.036898|0.041736|0.051338|0.061226|0.064185|0.082923|0.096425|0.113663|0.096934|0.216342|0.500000| |1.549073|1.588474|1.458069|1.461159|1.600485|1.783188|1.773635|3.475049|2.255282|2.448688|0.066807|2.994619|4.166813|0.073941|3.539512|4.918270|5.654361|8.904227|17.734705|8.948768|5.661361|31.850793|3.002895|2.630253|0.065154|2.427000|2.399715|3.515737|5.002591|2.146538|1.977896|1.785600|1.742205|1.854100|2.061695|3.078597|1.575262|2.824346|3.938226|0.043474|0.044974|0.039633|0.037710|0.037849|0.043983|0.053890|0.062021|0.065694|0.082387|0.093874|0.091194|0.089980|0.124385|0.213997|0.500000| |1.714083|1.800750|1.651594|1.680846|1.885675|2.126238|2.062903|4.029751|2.711970|2.845424|0.074536|3.614927|4.684553|0.083008|4.063801|5.622229|4.970506|5.647888|8.903735|17.757366|8.951378|55.176873|3.078406|2.600422|0.066393|2.296692|2.200919|3.235805|4.813014|1.933059|1.789245|1.606906|1.555735|1.647326|1.836321|2.730866|1.403795|2.523276|4.485483|0.048157|0.049195|0.043424|0.042131|0.043279|0.052341|0.066156|0.076959|0.079887|0.106407|0.113552|0.097404|0.110933|0.107874|0.124061|0.215135|0.500000| |2.398745|2.330024|2.006509|1.907863|2.059547|2.420095|2.621339|5.691033|3.747579|5.110863|0.149584|6.589211|12.344946|0.182679|7.054429|6.889210|7.162153|5.206842|4.214708|4.134337|4.939645|30.829314|17.668372|8.802311|0.173493|6.714021|5.197115|7.239015|12.800470|3.836292|3.450664|2.775657|2.523650|2.662370|3.200855|4.072491|2.042652|3.822832|8.117625|0.069144|0.072408|0.059289|0.051568|0.047894|0.053802|0.071135|0.095106|0.101909|0.141246|0.197498|0.181302|0.143210|0.217743|0.128410|0.097396|0.095170|0.500000| |3.030302|2.854980|2.373457|2.198143|2.352512|2.824906|3.213727|7.396459|4.741830|7.426800|0.249002|7.585492|12.415547|0.216022|5.534011|4.723873|4.424886|3.556058|3.136927|3.219632|3.825532|27.238075|17.671060|8.967279|0.212487|6.914800|4.672719|6.051403|10.209978|3.553428|3.364205|2.708596|2.406238|2.471446|2.907096|3.776544|1.929501|3.660284|11.719923|0.088303|0.093951|0.073109|0.060708|0.054359|0.060035|0.081243|0.113129|0.122725|0.149183|0.199401|0.141951|0.126971|0.129961|0.090197|0.075622|0.078355|0.301828|0.500000| |2.278940|2.115244|1.837962|1.711724|1.787025|2.040555|2.258022|4.764209|2.855167|3.643726|0.113372|3.806124|6.311599|0.119159|3.897906|3.680928|4.064512|3.455845|2.873810|2.717524|2.989303|20.368877|7.268143|8.660134|0.175756|17.533337|8.878681|8.713023|11.403675|6.332893|6.087546|4.267673|3.554506|3.599422|4.421765|5.135783|2.583347|5.074059|6.364386|0.065718|0.069855|0.057721|0.048402|0.043433|0.046386|0.057852|0.072050|0.076752|0.088570|0.106975|0.113502|0.090186|0.133014|0.095658|0.071516|0.066176|0.205882|0.198163|0.500000| |2.448531|2.203509|1.902354|1.743057|1.793500|2.039891|2.302178|4.865211|2.808236|3.576694|0.109550|3.500250|5.810027|0.120431|3.528538|3.118966|3.253245|2.764638|2.378819|2.316272|2.584549|18.512218|5.960431|8.714282|0.226012|17.618840|8.766359|8.341329|10.692430|6.467833|6.380747|4.417741|3.634846|3.648778|4.458639|5.182412|2.621101|5.168157|6.785207|0.072278|0.074714|0.062303|0.050552|0.044200|0.046150|0.056883|0.071364|0.073058|0.083239|0.092792|0.105202|0.085103|0.104282|0.075616|0.059667|0.057463|0.143834|0.170583|0.301544|0.500000| |1.955772|1.785376|1.586637|1.470988|1.502714|1.668498|1.839022|3.729196|2.139846|2.547544|0.077409|2.547409|3.982568|0.079845|2.632378|2.504156|2.737952|2.481558|2.138223|2.015474|2.148151|15.229958|3.744929|4.563607|0.114749|7.175001|7.090321|6.579365|7.245795|8.915075|17.736320|8.955889|5.736281|5.009929|5.598750|6.597788|3.447226|7.448721|4.621837|0.056290|0.059315|0.051087|0.042676|0.037870|0.039148|0.046508|0.055023|0.057499|0.062701|0.070525|0.077948|0.064657|0.087033|0.071063|0.055201|0.050564|0.102882|0.104942|0.203987|0.219813|0.500000| |1.601043|1.473867|1.338722|1.250554|1.267343|1.380083|1.498743|2.953332|1.679014|1.917009|0.057128|1.918561|2.904168|0.058531|1.998360|1.942840|2.121633|2.001083|1.763516|1.653380|1.721104|12.378538|2.536057|2.913950|0.076243|3.769314|4.105602|4.499213|4.982339|5.590981|8.794275|17.757456|8.936610|5.627421|4.873824|7.765320|4.644640|12.217015|3.468885|0.045696|0.047866|0.042642|0.036396|0.032600|0.033298|0.038347|0.043809|0.045534|0.048618|0.053399|0.058861|0.050404|0.065716|0.058290|0.046611|0.042186|0.070823|0.070554|0.106447|0.110357|0.214419|0.500000| |1.556080|1.470240|1.328537|1.260806|1.305803|1.440501|1.540891|3.080213|1.825140|2.134242|0.060385|2.288275|3.755592|0.075889|2.826031|2.703861|3.086499|2.778964|2.315338|2.138354|2.272015|15.783138|3.171026|3.998479|0.101299|4.504192|7.006156|10.120749|8.627217|8.767052|5.598455|4.874906|5.630336|8.957193|17.772069|12.224333|4.651922|7.778156|3.960311|0.045425|0.045416|0.040641|0.035530|0.032709|0.034590|0.040892|0.049103|0.048753|0.059221|0.062316|0.090705|0.069786|0.103611|0.081742|0.059569|0.053053|0.089093|0.079098|0.112075|0.111885|0.123157|0.106248|0.500000| |1.240487|1.165199|1.075902|1.020340|1.037551|1.116995|1.189348|2.305312|1.323877|1.479445|0.042338|1.517673|2.312359|0.047215|1.688026|1.644414|1.793049|1.713176|1.524173|1.428585|1.475169|10.720277|1.886507|2.165313|0.058153|2.456297|2.918370|3.720311|4.060583|3.694152|3.702329|4.557620|6.539911|6.533240|4.560995|16.553865|17.639087|16.556963|2.722862|0.035748|0.036041|0.033219|0.029281|0.026851|0.027590|0.031252|0.035572|0.035729|0.039822|0.041719|0.050824|0.043581|0.055255|0.050261|0.040702|0.036761|0.052616|0.050384|0.065518|0.068130|0.086282|0.113858|0.113943|0.500000| 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