Version2.0 2020-03-05T05:58:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 28-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc2ccccc2F)c3ccccc3)CC)C[C@@H]4CCCO4)O C36313685 RHF 6-31G(d) (6D,7F) CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc2ccccc2F)c3ccccc3)CC)C[C@@H]4CCCO4)O C01[X(C29H39F1N3O3)] 219 C1 618 CCCC[C@@H](C[NH+](Cc1c(CC)nn(c1Oc1ccccc1F)c1ccccc1)C[C@@H]1CCCO1)O CCCC[C@@H](C[NH+](Cc1c(CC)nn(c1Oc1ccccc1F)c1ccccc1)C[C@@H]1CCCO1)O CCCC[C@H](O)C[NH+](C[C@@H]1CCCO1)Cc2c(CC)nn(c3ccccc3)c2Oc4ccccc4F InChIKey=QEZLMUZMBBMEIT-ZEQRLZLVSA-O InChI=1S/C29H38FN3O3/c1-3-5-14-23(34)19-32(20-24-15-11-18-35-24)21-25-27(4-2)31-33(22-12-7-6-8-13-22)29(25)36-28-17-10-9-16-26(28)30/h6-10,12-13,16-17,23-24,34H,3-5,11,14-15,18-21H2,1-2H3/p+1/t23-,24-/m0/s1 InChI=1/C29H38FN3O3/c1-3-5-14-23(34)19-32(20-24-15-11-18-35-24)21-25-27(4-2)31-33(22-12-7-6-8-13-22)29(25)36-28-17-10-9-16-26(28)30/h6-10,12-13,16-17,23-24,34H,3-5,11,14-15,18-21H2,1-2H3/p+1/t23-,24-/m0/s1/fC29H39FN3O3/h32H/q+1 CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc2ccccc2F)c3ccccc3)CC)C[C@@H]4CCCO4)O C01[X(C29H39F1N3O3)] 219 C01 618 CCCC[C@@H](C[NH+](Cc1c(CC)nn(c1Oc1ccccc1F)c1ccccc1)C[C@@H]1CCCO1)O CCCC[C@@H](C[NH](Cc1c(CC)nn(c1Oc1ccccc1F)c1ccccc1)C[C@@H]1CCCO1)O CCCC[C@H](O)C[NH](C[C@@H]1CCCO1)Cc2c(CC)nn(c3ccccc3)c2Oc4ccccc4F InChIKey=CCIJKRSITXXPQX-ZEQRLZLVSA-N InChI=1S/C29H39FN3O3/c1-3-5-14-23(34)19-32(20-24-15-11-18-35-24)21-25-27(4-2)31-33(22-12-7-6-8-13-22)29(25)36-28-17-10-9-16-26(28)30/h6-10,12-13,16-17,23-24,32,34H,3-5,11,14-15,18-21H2,1-2H3/t23-,24-/m0/s1 InChI=1/C29H39FN3O3/c1-3-5-14-23(34)19-32(20-24-15-11-18-35-24)21-25-27(4-2)31-33(22-12-7-6-8-13-22)29(25)36-28-17-10-9-16-26(28)30/h6-10,12-13,16-17,23-24,32,34H,3-5,11,14-15,18-21H2,1-2H3/t23-,24-/m0/s1 4112.5646258851 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1919.28 1922.75 1927.44 1942.12 1956.69 1966.16 1996.13 2006.65 2014.91 2030.46 2034.69 2037.43 2068.13 2091.58 2097.91 2102.71 2117.89 2119.60 2128.45 2133.49 2148.05 2157.51 2161.26 2188.51 2213.85 2221.88 2241.55 2245.44 2247.54 2250.67 2260.04 2264.51 2267.49 2305.87 2324.80 2332.02 2337.92 2342.87 2350.35 2351.44 2352.50 2356.37 2360.06 2361.49 2364.12 2364.88 2367.39 2372.96 2378.07 2383.68 2389.27 2408.94 2421.18 2429.51 2456.97 2543.97 2586.55 2598.33 2600.30 2606.79 4571.13 4592.40 4603.60 4610.25 4612.25 4628.01 4631.87 4650.30 4654.28 4659.08 4661.10 4676.41 4681.05 4693.27 4702.53 4707.47 4714.60 4715.85 4727.08 4729.77 4733.02 4737.68 4742.28 4751.11 4773.52 4807.89 4825.52 4852.77 4861.19 4867.23 4868.27 4881.23 4887.11 4894.97 4907.57 4911.22 4913.88 5235.33 5861.39 0.696300 0.729908 0.730852 0.625045 -1607.336688 -1607.303080 -1607.302136 -1607.407943 3.548784D-04 MUNgauss RevisionA2.0 retrievium 05-Mar-2020 DUDE CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc2ccccc2F)c3ccccc3)CC)C[C@@H]4CCCO4)O C36313685 RHF 6-31G(d) (6D,10F) C1 496.297546 |X|Y|Z| 113.984699 58.442442 63.277074 74.979136 26 6 7 8 21 3 2 |36.858105| |12.468443|36.858105| |7.485315|12.449852|36.858105| |4.870100|7.479374|12.443508|36.858105| |3.736128|4.864460|7.459029|12.480218|36.858105| |3.684400|4.567473|6.981426|8.915688|17.608091|0.500000| |2.975799|3.760852|4.883123|7.558138|12.403090|0.245303|36.858105| |2.509212|2.998092|3.772592|4.969404|7.618052|0.185408|12.739678|53.358707| |2.563658|3.030954|3.866421|4.911571|7.634120|0.180606|9.439829|25.594143|0.500000| |2.346726|2.718818|3.394770|4.144153|6.009346|0.177986|7.620881|17.087702|0.256062|36.858105| |2.078527|2.334403|2.846107|3.274287|4.419818|0.129676|5.002061|10.317450|0.203141|12.786698|36.858105| |2.069879|2.272432|2.776281|3.045464|4.018255|0.119886|4.093088|7.489485|0.167165|7.262914|13.362414|36.858105| |1.823456|1.974847|2.344548|2.536537|3.179287|0.092717|3.282896|5.780463|0.126746|5.174304|8.499740|14.698294|53.358707| |1.704523|1.860751|2.178007|2.402540|2.972719|0.085296|3.232734|5.801709|0.120847|5.220102|8.677293|8.963874|19.230733|53.358707| |1.813107|2.014257|2.377434|2.701999|3.423337|0.097866|3.933257|7.532168|0.147038|7.383586|13.867103|8.678922|11.763849|19.456166|36.858105| |1.693191|1.888217|2.184548|2.508283|3.073805|0.086167|3.671889|6.734500|0.125046|5.997229|7.731892|5.412814|7.476697|11.156670|14.226119|73.516695| |1.665310|1.858861|2.129969|2.447788|2.937544|0.083599|3.534268|6.034770|0.107535|5.540894|6.038067|4.375573|5.808648|7.626910|8.087983|24.624539|36.858105| |1.632532|1.801507|2.058482|2.315459|2.745989|0.080532|3.161893|5.129428|0.093175|4.920234|5.349515|4.174934|5.569153|6.931393|6.504119|13.930599|13.780362|36.858105| |1.568718|1.726319|1.941421|2.171657|2.498749|0.073339|2.856539|4.372293|0.079219|3.983065|3.993942|3.276195|4.324716|5.059774|4.449603|9.207467|7.960307|13.732889|36.858105| |1.536654|1.702858|1.891330|2.139665|2.415761|0.069506|2.822858|4.217708|0.075566|3.621842|3.470594|2.841471|3.725273|4.317089|3.805118|8.177401|6.879169|7.921198|13.758999|36.858105| |1.563948|1.751138|1.946375|2.242875|2.543104|0.071444|3.078393|4.679283|0.082643|3.847790|3.637802|2.901524|3.793324|4.468825|4.056217|9.337344|7.920242|6.850138|7.934908|13.739115|36.858105| |1.628346|1.831193|2.066244|2.404710|2.808379|0.078159|3.475720|5.653073|0.098951|4.684120|4.581430|3.475043|4.554298|5.608339|5.438691|14.422313|13.780193|7.974723|6.931976|8.003035|13.849545|36.858105| |1.631055|1.846498|2.073941|2.442855|2.835519|0.076532|3.591542|5.897050|0.103901|4.412904|4.277315|3.297858|4.328382|5.262578|4.984398|12.815914|8.161081|5.299512|4.670866|5.293976|8.133403|14.316707|97.533100| |1.515477|1.638270|1.878486|2.048155|2.446700|0.069413|2.646155|4.519415|0.093927|3.803185|5.298025|5.483804|10.796923|18.142265|7.627116|11.564524|4.785473|4.413148|3.373541|2.928882|3.029225|3.714422|7.968662|36.858105| |1.460479|1.566505|1.784735|1.922663|2.266417|0.063611|2.402166|4.016346|0.085933|3.211761|4.241565|4.682405|9.038321|10.726679|5.307111|8.257058|3.611871|3.344525|2.709582|2.424827|2.520543|3.005242|6.692648|13.743676|36.858105| |1.321387|1.408084|1.581238|1.691535|1.950891|0.054588|2.062783|3.346482|0.070805|2.631399|3.275894|3.502735|6.153341|7.033304|3.969560|6.668437|3.093083|2.908462|2.440872|2.216719|2.294788|2.668044|5.970034|7.967789|13.771946|36.858105| |1.247121|1.329135|1.482134|1.588778|1.816494|0.051004|1.938390|3.107986|0.064377|2.468215|3.002789|3.084369|5.200963|6.183758|3.695723|6.571366|3.168413|3.024784|2.568773|2.332493|2.395810|2.750666|6.060670|6.891788|7.928427|13.743403|36.858105| |1.281634|1.372989|1.535590|1.658558|1.906908|0.053894|2.061423|3.326937|0.067600|2.710480|3.319249|3.287309|5.486741|6.992340|4.271548|7.915913|3.874037|3.746050|3.111930|2.769436|2.818749|3.262461|6.958887|7.967994|6.871493|7.950155|13.762275|36.858105| |1.407200|1.518376|1.719624|1.874222|2.197753|0.062522|2.399208|3.980674|0.080323|3.359320|4.338108|4.203068|7.249095|10.592172|6.105731|11.087026|5.086181|4.867877|3.745317|3.216340|3.275193|3.948498|8.183001|13.763417|7.911276|6.871342|7.928060|13.751959|36.858105| |2.314050|2.504084|3.132037|3.287330|4.339042|0.134508|3.971153|6.557856|0.152456|5.788648|7.208426|12.665115|10.663552|7.278837|5.186248|6.807801|3.338755|3.287750|2.747162|2.427164|2.446982|2.808624|6.059520|3.956104|3.664876|2.910695|2.572536|2.670406|3.217439|36.858105| |2.324340|2.467023|3.054318|3.097688|3.907284|0.128681|3.510394|5.374158|0.115923|4.948163|5.558256|7.535927|7.780583|5.925472|4.289188|5.954064|3.107697|3.240908|2.786484|2.419938|2.362306|2.624263|5.506196|3.403179|3.101752|2.564621|2.339559|2.463518|2.930073|12.417754|36.858105| |2.168799|2.556224|3.035281|3.869449|5.011158|0.123197|7.637170|17.325777|0.261434|7.626480|6.121644|4.498422|5.231828|5.667574|5.475736|9.924961|4.866314|3.811550|3.252425|3.263239|3.854804|4.904547|12.925931|3.401931|3.021829|2.552260|2.395217|2.573415|3.054293|3.764382|3.146129|36.858105| |2.163885|2.555117|2.966548|3.750048|4.525083|0.106280|6.158675|10.365526|0.208231|4.967990|4.401396|3.667197|4.435875|4.657758|4.076562|7.312969|3.599192|2.949531|2.597840|2.635487|3.068871|3.699930|9.966230|2.948312|2.758295|2.381938|2.211698|2.307582|2.641377|3.254516|2.710771|12.455203|36.858105| |2.287518|2.754777|3.146883|4.099146|4.665048|0.106414|6.443345|8.915448|0.172517|4.386671|3.733810|3.171887|3.828115|3.964752|3.420819|6.169192|3.188133|2.684391|2.431643|2.504066|2.898422|3.356518|8.888262|2.543222|2.388527|2.098699|1.969362|2.054608|2.321752|2.919551|2.505187|8.809149|17.586776|0.500000| |1.851302|2.130793|2.398606|2.884588|3.318493|0.081730|4.152305|6.768349|0.137371|3.855844|3.713682|3.183875|4.082989|4.434336|3.749225|7.101705|3.449697|2.787515|2.466460|2.534426|3.001989|3.638964|10.379351|2.960544|2.819066|2.490237|2.327077|2.405936|2.694183|2.781380|2.349452|7.492091|12.381187|0.243330|36.858105| |1.785520|2.017754|2.283224|2.656266|3.086807|0.077239|3.606493|6.036972|0.132798|3.607592|3.741813|3.389606|4.485251|4.801289|3.835134|6.916633|3.204536|2.641936|2.298997|2.297576|2.639879|3.196459|8.622610|3.264285|3.248043|2.841881|2.568352|2.577874|2.863874|2.952762|2.424570|5.773929|7.945064|0.162621|12.429806|36.858105| |2.012272|2.288348|2.627289|3.058946|3.584256|0.087168|4.016530|6.555195|0.157116|3.721854|3.766289|3.548547|4.521411|4.547259|3.586463|6.078343|2.874333|2.450584|2.145150|2.118305|2.374781|2.808495|7.220303|2.991626|3.009910|2.602735|2.319624|2.312934|2.580465|3.250307|2.608345|5.557038|8.160715|0.174919|8.038171|12.518063|36.858105| |2.283946|2.672192|3.163966|3.887514|4.806772|0.111391|5.730731|9.697407|0.245402|4.761650|4.458042|3.995404|4.784006|4.773479|3.975095|6.640217|3.186852|2.703811|2.361865|2.333212|2.623193|3.116399|7.948543|2.995073|2.890924|2.463668|2.228343|2.276771|2.597658|3.673596|2.931185|8.032257|13.521044|0.259816|8.046710|8.170681|13.381050|73.516695| |3.510144|4.290459|6.265618|7.777407|13.566420|0.267013|7.955529|9.586205|0.246546|5.467057|4.528251|4.427952|4.741562|4.279406|3.497601|5.419929|2.795475|2.591682|2.313314|2.212637|2.335487|2.624740|6.043123|2.581069|2.446488|2.084378|1.903069|1.966071|2.260040|5.031122|4.153598|4.830979|4.669524|0.127322|3.448036|3.391227|4.194659|10.036364|73.516695| |17.544747|8.774570|6.778568|4.501582|3.618208|0.103539|2.882797|3.343658|0.069246|2.357450|2.091431|2.092209|2.504385|2.332833|1.819795|3.009851|1.675302|1.660554|1.601429|1.559026|1.571217|1.628336|3.631630|1.520976|1.459538|1.319994|1.248915|1.287552|1.416056|2.357795|2.428685|2.107783|2.063868|0.059972|1.772317|1.712650|1.910984|3.850810|5.960853|0.500000| |17.544799|8.774399|6.782719|4.498566|3.623745|0.098528|2.866227|3.364765|0.071481|2.303127|2.073158|2.096682|2.521869|2.336635|1.808641|2.982025|1.632625|1.596044|1.521684|1.483565|1.512865|1.586854|3.588596|1.528875|1.485476|1.343191|1.260165|1.287161|1.410509|2.374082|2.359364|2.137999|2.155451|0.062749|1.850806|1.810256|2.063628|4.124142|6.391250|0.301586|0.500000| |17.567706|8.791023|5.463986|4.046292|3.167536|0.086123|2.636383|3.055640|0.063307|2.100698|1.874073|1.858199|2.254667|2.125307|1.657385|2.778426|1.543516|1.513202|1.464204|1.443580|1.469894|1.520504|3.435592|1.401344|1.353591|1.233442|1.168844|1.199871|1.309451|2.046937|2.054679|1.982523|1.992809|0.058810|1.728508|1.662189|1.857015|3.702318|5.300093|0.301894|0.301864|0.500000| |8.859691|17.515316|8.852657|6.887225|4.536715|0.120629|3.701314|3.964154|0.079726|2.672549|2.268826|2.174232|2.580909|2.459880|1.971525|3.322326|1.865645|1.815687|1.760540|1.749931|1.794603|1.854801|4.189502|1.595122|1.514385|1.365855|1.298802|1.349452|1.491989|2.353986|2.347987|2.511673|2.477043|0.074731|2.076835|1.938905|2.158456|4.482291|6.767696|0.210749|0.172944|0.213045|0.500000| |8.861140|17.513332|8.854758|6.872500|4.545456|0.112907|3.665504|3.998033|0.083138|2.594031|2.245163|2.178656|2.599322|2.463792|1.957049|3.284668|1.807340|1.732581|1.656652|1.645657|1.709455|1.794331|4.123678|1.603875|1.542915|1.391179|1.311175|1.348800|1.485305|2.369397|2.285017|2.562285|2.638338|0.080261|2.204963|2.082512|2.383681|4.925661|7.409487|0.172959|0.210706|0.213150|0.303873|0.500000| |6.875022|8.847417|17.543016|8.847045|6.876842|0.175959|4.512517|5.035498|0.109966|3.306366|2.861765|2.871431|3.304915|3.022177|2.387019|3.851614|2.076749|1.999491|1.864838|1.804320|1.860539|1.995619|4.530100|1.916299|1.841850|1.627317|1.511371|1.552837|1.735489|3.325554|3.168885|2.981672|2.971485|0.086122|2.413853|2.351462|2.766640|5.858507|12.477112|0.169074|0.203921|0.140535|0.173637|0.211526|0.500000| |6.881838|8.853545|17.511285|8.866316|6.837451|0.210103|4.575651|4.964748|0.102345|3.471247|2.909628|2.859947|3.266044|3.013772|2.412302|3.910990|2.165627|2.129452|2.016067|1.943698|1.971044|2.078908|4.615848|1.900788|1.793362|1.586785|1.492129|1.553391|1.745613|3.281807|3.342046|2.901144|2.745241|0.079357|2.247748|2.149619|2.429690|5.148647|9.971242|0.204072|0.169306|0.140615|0.211634|0.173675|0.304082|0.500000| |4.532944|6.842711|8.839543|17.513231|8.903308|0.210720|7.127698|6.286531|0.119805|4.001731|3.110174|2.828956|3.241970|3.124866|2.607931|4.388545|2.469015|2.351991|2.246659|2.240156|2.340638|2.463465|5.585086|1.969370|1.831568|1.621990|1.539857|1.620086|1.828602|2.977597|2.882042|3.724391|3.514345|0.108048|2.753840|2.483552|2.766862|6.153319|10.083551|0.119790|0.111178|0.108559|0.206780|0.170148|0.173534|0.212675|0.500000| |4.536094|6.877721|8.814881|17.477187|8.893661|0.174693|6.874271|6.402375|0.131769|3.736295|3.037134|2.824643|3.264806|3.122052|2.566347|4.293169|2.334339|2.174892|2.038937|2.031508|2.159835|2.325012|5.430441|1.980095|1.877172|1.660648|1.557100|1.615428|1.811878|2.990892|2.752273|3.891899|4.029271|0.127588|3.077328|2.806930|3.292571|7.472265|12.549025|0.111292|0.119416|0.108804|0.172229|0.207591|0.209829|0.173393|0.303719|0.500000| |2.859183|3.587937|4.474754|6.589624|8.714854|0.216163|17.606918|12.333915|0.183058|7.304710|4.676541|3.749498|4.166603|4.186614|3.786306|6.483350|3.703955|3.369173|3.125105|3.132777|3.396229|3.724101|8.412919|2.541478|2.274676|1.972343|1.881863|2.026030|2.357906|3.585561|3.335997|6.571277|5.069674|0.148895|3.703913|3.172484|3.369889|7.963735|10.184603|0.078209|0.074955|0.071133|0.102257|0.095309|0.110423|0.121547|0.201665|0.160170|0.500000| |2.921440|3.739043|4.599711|7.171727|8.854386|0.174353|17.655113|12.411250|0.215299|5.616096|4.149519|3.496369|3.976249|3.964189|3.469374|5.945226|3.200923|2.824616|2.584880|2.611007|2.899840|3.253888|7.870587|2.453096|2.263267|1.968388|1.851406|1.952366|2.237796|3.381568|2.977923|7.531495|7.287452|0.245780|4.648452|3.858690|4.359358|11.381923|12.158919|0.076824|0.078341|0.072997|0.102140|0.105728|0.119205|0.114051|0.187563|0.214220|0.302019|0.500000| |2.591662|3.002009|3.873256|4.637921|7.019218|0.241366|7.498799|12.390481|0.214980|17.674423|8.988663|6.801596|6.454420|6.070771|5.631156|8.196737|4.444356|4.278432|3.632515|3.276218|3.347934|3.842487|8.061566|3.351145|2.899423|2.407749|2.257565|2.454234|2.982751|6.380308|5.902525|5.627298|4.154041|0.106710|3.266445|3.102375|3.299413|7.385219|10.731819|0.073324|0.070347|0.063545|0.081767|0.077704|0.103769|0.113997|0.123738|0.110291|0.204165|0.147589|0.500000| |2.209298|2.559402|3.099630|3.791331|5.063074|0.148760|6.769807|12.401371|0.181597|17.631538|8.856627|5.506826|5.946648|6.401053|6.776954|11.339249|6.739266|5.898500|4.833181|4.454964|4.782860|5.834602|11.659662|3.595324|2.987680|2.504748|2.409830|2.698267|3.334883|4.474687|4.123145|7.250734|4.627531|0.116815|3.729995|3.354021|3.322284|7.349033|7.793512|0.061834|0.059514|0.055576|0.071380|0.067885|0.082015|0.088350|0.106663|0.095694|0.209743|0.145634|0.303013|0.500000| |1.635502|1.788052|2.055163|2.274376|2.715407|0.080844|3.023661|4.925384|0.092083|4.843818|5.710516|4.711011|6.456302|7.995941|6.955447|12.589646|8.932603|17.732271|8.890913|5.635916|4.941291|5.663606|9.603475|4.975287|3.665817|3.134631|3.236662|4.034432|5.439434|3.647303|3.670272|3.517279|2.776487|0.069925|2.609180|2.544115|2.399466|4.670695|4.636074|0.046431|0.044650|0.041958|0.049716|0.047554|0.055925|0.059512|0.063452|0.058983|0.087783|0.074429|0.120949|0.149741|0.500000| |1.526409|1.663061|1.860657|2.046759|2.327808|0.069121|2.586768|3.874113|0.071367|3.510339|3.539466|3.036820|4.030534|4.567153|3.827341|7.436017|5.664266|8.941262|17.740009|8.913825|5.644110|4.984345|8.319134|3.085519|2.521495|2.296420|2.423861|2.910799|3.425101|2.617410|2.735770|2.811190|2.301202|0.060349|2.180138|2.057901|1.946485|3.787170|3.838746|0.043576|0.041098|0.039636|0.047185|0.044097|0.049639|0.054151|0.058881|0.053102|0.078378|0.065004|0.092469|0.113995|0.215169|0.500000| |1.475024|1.626378|1.784196|1.999927|2.211720|0.063659|2.542970|3.686973|0.066758|3.091437|2.935866|2.476311|3.250139|3.677638|3.141711|6.494288|4.957100|5.638650|8.912740|17.741476|8.931871|5.680592|9.589393|2.530430|2.143635|1.987458|2.095659|2.451751|2.768590|2.170456|2.190854|2.823997|2.348459|0.062962|2.265304|2.056197|1.911197|3.721460|3.588730|0.041662|0.039411|0.038710|0.046722|0.043626|0.047087|0.051030|0.058620|0.052806|0.078673|0.065980|0.079801|0.102917|0.123963|0.214551|0.500000| |1.519900|1.704803|1.870647|2.159165|2.396836|0.066458|2.903756|4.283673|0.076165|3.357015|3.127792|2.553364|3.338558|3.856849|3.408883|7.585903|5.656945|4.942510|5.627251|8.836749|17.742232|8.999185|16.680810|2.653820|2.269202|2.094133|2.182837|2.517800|2.841908|2.199712|2.118733|3.592922|2.970702|0.079541|2.955535|2.550124|2.284251|4.458207|3.903833|0.042230|0.040738|0.039928|0.048767|0.046518|0.049516|0.052234|0.063011|0.058389|0.089058|0.077864|0.082370|0.112762|0.107367|0.123661|0.212959|0.500000| |1.533291|1.642429|1.882604|2.018517|2.393492|0.066868|2.497444|4.187992|0.092222|3.282467|4.341409|5.094404|9.930702|9.910287|5.051016|7.513716|3.303020|3.050827|2.500741|2.256362|2.352469|2.791032|6.299689|8.934649|17.762020|8.895368|5.637375|4.954818|5.644325|4.082255|3.309996|3.090906|2.875488|0.068859|2.897450|3.435237|3.293279|5.549446|4.706874|0.042446|0.043610|0.039328|0.043756|0.045016|0.054557|0.052343|0.052791|0.054868|0.064625|0.065411|0.083120|0.082547|0.092370|0.064873|0.055736|0.059300|0.500000| |1.280278|1.357164|1.516036|1.609815|1.839252|0.051228|1.924125|3.077703|0.065739|2.374453|2.886527|3.124681|5.318010|5.706056|3.351672|5.619955|2.658707|2.507483|2.148442|1.975084|2.046189|2.347036|5.313642|5.663801|8.949227|17.728836|8.909374|5.650344|4.952066|2.696351|2.377111|2.338319|2.233442|0.055052|2.344804|2.711104|2.515197|4.160487|3.522163|0.035445|0.036305|0.033269|0.036447|0.037371|0.043569|0.042114|0.042720|0.044120|0.050858|0.051396|0.061045|0.062479|0.074387|0.056533|0.049717|0.052501|0.214879|0.500000| |1.166417|1.237832|1.369228|1.460398|1.649997|0.046230|1.752857|2.764191|0.057188|2.169557|2.568883|2.631463|4.297865|4.922439|3.066247|5.517292|2.744821|2.642708|2.308413|2.125702|2.177235|2.448906|5.428495|4.962716|5.643200|8.909927|17.729757|8.918292|5.642837|2.256677|2.078369|2.132686|1.997703|0.049941|2.115266|2.322158|2.103237|3.571785|3.064791|0.032430|0.032746|0.030492|0.033640|0.033985|0.038765|0.038245|0.039409|0.039886|0.047407|0.046824|0.055641|0.059164|0.077576|0.061069|0.053771|0.055819|0.123982|0.214654|0.500000| |1.217912|1.302659|1.446469|1.560206|1.775051|0.050223|1.922202|3.050813|0.061334|2.480216|2.940122|2.863077|4.591104|5.668476|3.685978|7.062421|3.674607|3.639626|3.135361|2.814315|2.829002|3.181525|6.703827|5.665103|4.952169|5.649310|8.914256|17.729192|8.944345|2.377226|2.238808|2.367235|2.126892|0.053244|2.222629|2.334029|2.093972|3.685189|3.216487|0.034034|0.033860|0.031793|0.035738|0.035533|0.040415|0.040706|0.042642|0.042214|0.053029|0.050742|0.062826|0.069789|0.106802|0.082272|0.069942|0.070566|0.107572|0.124137|0.214785|0.500000| |1.427415|1.545795|1.750851|1.918745|2.250857|0.064521|2.484671|4.103406|0.080799|3.564080|4.506723|4.136017|6.691655|9.655441|6.425742|12.631572|6.349827|6.419055|4.693088|3.864934|3.846501|4.643490|9.049621|8.895786|5.632161|4.955066|5.649907|8.934795|17.764792|3.166182|2.961393|3.142530|2.646908|0.065169|2.664204|2.738767|2.474696|4.532037|4.032553|0.040032|0.039496|0.036902|0.042473|0.041832|0.048629|0.049626|0.052519|0.051203|0.069026|0.063862|0.087493|0.101596|0.202233|0.117164|0.090315|0.089945|0.124123|0.107576|0.124284|0.216306|0.500000| |2.179438|2.317786|2.835244|2.911955|3.669814|0.109668|3.363866|5.430735|0.127738|4.468561|5.538236|9.067114|10.248737|6.768553|4.480193|6.070950|2.951885|2.896584|2.447944|2.181432|2.204415|2.516558|5.499643|3.905524|3.828158|3.043163|2.625548|2.653176|3.126491|17.593038|8.855923|3.302629|2.981525|0.074344|2.621001|2.863761|3.174171|6.101500|7.763289|0.061391|0.062928|0.053907|0.060112|0.061526|0.085125|0.081466|0.073059|0.075212|0.084325|0.082564|0.130863|0.100872|0.089119|0.065188|0.054622|0.055558|0.123338|0.079733|0.064180|0.065128|0.083185|0.500000| |2.616255|2.879712|3.738832|3.955638|5.515110|0.169954|4.718146|7.627619|0.188805|6.166551|6.629062|8.910178|8.004792|6.137508|4.660643|6.400665|3.171967|3.053668|2.600954|2.352586|2.405106|2.751798|6.052090|3.443016|3.230376|2.621943|2.333769|2.412823|2.861230|17.553115|8.813155|4.106053|3.607703|0.090670|2.966252|3.117494|3.571922|7.474489|12.398948|0.073382|0.074939|0.063400|0.074054|0.075618|0.112554|0.107524|0.096152|0.098949|0.113192|0.109811|0.196625|0.127931|0.090924|0.068338|0.058729|0.060753|0.099811|0.068237|0.057479|0.060267|0.078664|0.303878|0.500000| |2.478699|2.574030|3.188622|3.095546|3.773158|0.124312|3.245600|4.743187|0.103374|4.086133|4.333636|5.503278|6.099247|4.817304|3.480094|5.033660|2.654616|2.750727|2.431954|2.152643|2.105188|2.304658|4.895973|2.897335|2.720530|2.302589|2.102303|2.182803|2.530419|8.799401|17.569954|2.805079|2.491957|0.064968|2.164202|2.235729|2.440101|4.839298|7.229388|0.072689|0.070638|0.060403|0.067279|0.065637|0.093471|0.098370|0.079201|0.076110|0.085319|0.077708|0.135285|0.096748|0.084705|0.066820|0.054900|0.053177|0.081208|0.060288|0.052565|0.055557|0.070576|0.212820|0.213016|0.500000| |2.418197|2.602709|3.249284|3.350317|4.277965|0.148272|3.871082|5.802104|0.119568|5.686825|5.838654|6.767190|6.849874|5.665280|4.376660|6.196924|3.350774|3.563143|3.092716|2.665606|2.572261|2.829689|5.836376|3.240151|2.876452|2.404705|2.238374|2.399626|2.870615|8.713020|17.531843|3.316766|2.780924|0.072109|2.380202|2.393701|2.549374|5.201840|7.552936|0.070761|0.066989|0.059261|0.069826|0.066201|0.090821|0.100874|0.088352|0.080885|0.105317|0.088813|0.205467|0.133539|0.111289|0.084578|0.066921|0.063666|0.083281|0.061488|0.055390|0.061310|0.082728|0.172551|0.208281|0.301765|0.500000| |2.062920|2.167679|2.605831|2.645354|3.230045|0.103113|3.012955|4.643220|0.098652|4.266448|5.043808|6.846712|8.120854|6.146975|4.218752|5.884761|3.083587|3.301637|2.828398|2.413487|2.323529|2.568810|5.328417|3.616122|3.280144|2.720774|2.492293|2.633019|3.133668|8.788596|17.579860|2.849466|2.465736|0.063121|2.193584|2.278165|2.399672|4.679225|6.035107|0.059863|0.058088|0.051337|0.057796|0.056192|0.074627|0.078483|0.069444|0.066382|0.080820|0.072491|0.132947|0.103202|0.107250|0.078304|0.060767|0.057606|0.095866|0.069637|0.061322|0.066350|0.087772|0.212309|0.172902|0.301313|0.301783|0.500000| |1.980045|2.281772|2.686951|3.273495|4.177291|0.107831|5.626295|12.467718|0.219097|7.454709|7.213792|5.061775|6.101369|7.035663|7.211155|13.582035|5.865169|4.310960|3.508058|3.446819|4.101695|5.590048|14.955536|4.144959|3.584312|2.960160|2.766025|3.002540|3.655983|3.935620|3.232365|17.700081|8.876509|0.174577|7.249835|6.237825|5.476068|12.262754|7.463917|0.053863|0.054575|0.050437|0.062115|0.063193|0.074242|0.072474|0.087433|0.090357|0.141273|0.148382|0.147575|0.196172|0.110656|0.083081|0.081226|0.103271|0.100571|0.074032|0.067318|0.075566|0.103875|0.096738|0.114206|0.078607|0.093209|0.082996|0.500000| |2.110743|2.497041|2.906129|3.724630|4.579735|0.114977|7.142881|12.328765|0.182270|6.723247|5.183086|3.842246|4.558577|5.013759|4.832646|9.427707|5.118864|3.976615|3.511181|3.670126|4.510007|5.659538|15.332341|3.093672|2.720042|2.348439|2.254569|2.455255|2.888114|3.273586|2.870195|17.616156|8.745387|0.217929|6.382698|4.694627|4.376126|10.243481|7.339377|0.057188|0.057059|0.054024|0.069555|0.069312|0.077431|0.077728|0.104222|0.103452|0.197664|0.199331|0.143603|0.208326|0.098152|0.083022|0.087985|0.118857|0.075755|0.059689|0.056237|0.063869|0.084470|0.079946|0.097513|0.071525|0.085735|0.073027|0.302089|0.500000| |1.739684|1.990891|2.230330|2.665479|3.062670|0.077278|3.872749|6.372912|0.123263|3.856492|3.749123|3.131117|4.075973|4.590148|3.962220|8.011213|3.923938|3.065714|2.710156|2.831744|3.466551|4.315773|13.341298|3.107407|2.890701|2.572340|2.452483|2.581565|2.899153|2.673295|2.295446|7.304953|8.670895|0.188497|17.583838|8.657413|5.731990|10.452351|5.499084|0.046651|0.048009|0.045261|0.054487|0.056661|0.061682|0.058886|0.072119|0.077433|0.100174|0.116422|0.089324|0.107833|0.078041|0.065535|0.069606|0.095427|0.080404|0.066377|0.061800|0.066725|0.080623|0.069550|0.077583|0.058233|0.065138|0.060213|0.214280|0.191023|0.500000| |1.813386|2.086806|2.301484|2.749996|3.038856|0.074495|3.707384|5.597907|0.113688|3.253208|3.091640|2.717873|3.499976|3.742325|3.094375|5.837517|2.943027|2.443995|2.214160|2.300725|2.702935|3.152590|8.820698|2.544107|2.454969|2.215884|2.086894|2.141728|2.351810|2.443883|2.103404|5.613669|8.814135|0.228275|17.585282|8.801139|6.774732|11.525027|5.565824|0.047885|0.050316|0.047434|0.056633|0.060740|0.064192|0.059381|0.073343|0.083131|0.093132|0.118795|0.079053|0.088407|0.063634|0.054936|0.058071|0.075505|0.070047|0.058681|0.053436|0.055588|0.064705|0.064524|0.072609|0.054552|0.059221|0.054662|0.144959|0.144160|0.302388|0.500000| |1.733189|1.943788|2.217939|2.556657|3.032371|0.077670|3.527227|6.195586|0.136114|3.898286|4.296471|3.877916|5.285111|5.851162|4.624296|8.310382|3.635374|2.945284|2.499520|2.459161|2.820329|3.509087|9.379984|3.992414|3.964629|3.372224|2.999659|3.013525|3.406094|3.230664|2.613815|5.850299|6.685284|0.136902|8.769109|17.559809|8.841787|12.241020|5.920196|0.046612|0.048793|0.044674|0.051983|0.055026|0.063425|0.058868|0.066651|0.073342|0.087227|0.100502|0.091294|0.099970|0.079348|0.061790|0.060399|0.074233|0.116242|0.087801|0.073885|0.074341|0.088951|0.087177|0.092414|0.065913|0.071214|0.068890|0.197721|0.130395|0.217205|0.173945|0.500000| |1.650458|1.845206|2.052359|2.344076|2.648813|0.066957|3.015865|4.825804|0.104805|3.000349|3.126524|2.904252|3.932208|4.200221|3.254218|5.939448|2.817415|2.364334|2.087916|2.098132|2.396055|2.838595|7.600422|2.969493|3.030164|2.741998|2.490535|2.457672|2.653401|2.575717|2.156546|4.399892|5.699943|0.130435|8.690288|17.605202|8.727638|10.347242|5.137866|0.043931|0.046582|0.043014|0.049323|0.053128|0.058778|0.053729|0.061267|0.069031|0.075222|0.089729|0.073310|0.078733|0.063395|0.052331|0.052706|0.065043|0.088467|0.073964|0.063525|0.062259|0.069943|0.070494|0.074707|0.055780|0.058901|0.056899|0.130451|0.105751|0.193588|0.219112|0.301861|0.500000| |1.999466|2.238983|2.590531|2.931299|3.470294|0.086206|3.699697|6.093268|0.151841|3.639724|3.852792|3.836091|4.956466|4.816156|3.645138|5.942261|2.773896|2.405878|2.089695|2.030275|2.237464|2.637348|6.589789|3.167051|3.280638|2.797655|2.432151|2.386766|2.661612|3.564969|2.782668|4.761389|5.972087|0.134217|5.728117|8.658709|17.638982|16.656624|7.519639|0.052998|0.057554|0.051021|0.058142|0.064257|0.077132|0.067141|0.072914|0.086015|0.086609|0.106936|0.091155|0.088349|0.066654|0.053113|0.050909|0.059183|0.103251|0.075888|0.060994|0.059354|0.069802|0.099610|0.108381|0.072504|0.073871|0.071181|0.135736|0.105360|0.126894|0.137030|0.218312|0.193147|0.500000| 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