Version2.1 2021-01-09T20:44:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(cc(c1)C(=O)N[C@H](CCSC)C(=O)N2CCC3(CC2)c4c([nH+]c[nH]4)CCN3)C C24985612 RHF 6-31G(d) (6D,7F) Cc1cc(cc(c1)C(=O)N[C@H](CCSC)C(=O)N2CCC3(CC2)c4c([nH+]c[nH]4)CCN3)C C01[X(C24H34N5O2S1)] 192 C1 552 CSCC[C@H](C(=O)N1CCC2(CC1)NCCc1c2[nH]c[nH+]1)NC(=O)c1cc(C)cc(c1)C CSCC[C@H](C(=O)N1CCC2(CC1)NCCc1c2[nH]c[nH+]1)NC(=O)c1cc(C)cc(c1)C CSCC[C@@H](NC(=O)c1cc(C)cc(C)c1)C(=O)N2CCC3(CC2)NCCc4[nH+]c[nH]c34 InChIKey=PNNHTUWSDYOKAG-HXUWFJFHSA-O InChI=1S/C24H33N5O2S/c1-16-12-17(2)14-18(13-16)22(30)28-20(5-11-32-3)23(31)29-9-6-24(7-10-29)21-19(4-8-27-24)25-15-26-21/h12-15,20,27H,4-11H2,1-3H3,(H,25,26)(H,28,30)/p+1/t20-/m1/s1 InChI=1/C24H33N5O2S/c1-16-12-17(2)14-18(13-16)22(30)28-20(5-11-32-3)23(31)29-9-6-24(7-10-29)21-19(4-8-27-24)25-15-26-21/h12-15,20,27H,4-11H2,1-3H3,(H,25,26)(H,28,30)/p+1/t20-/m1/s1/fC24H34N5O2S/h25-26,28H/q+1 Cc1cc(cc(c1)C(=O)N[C@H](CCSC)C(=O)N2CCC3(CC2)c4c([nH+]c[nH]4)CCN3)C C01[X(C24H34N5O2S1)] 192 C01 552 CSCC[C@H](C(=O)N1CCC2(CC1)NCCc1c2[nH]c[nH+]1)NC(=O)c1cc(C)cc(c1)C CSCC[C@H](C(=O)N1CC[C@]2(CC1)NCCC1=C2[NH][CH][NH]1)[NH][C]([O])[C]1[CH][C]([CH][C]([CH]1)C)C CSCC[C@@H](N[C]([O])[C]1[CH][C](C)[CH][C](C)[CH]1)C(=O)N2CCC3(CC2)NCCC4=C3N[CH]N4 InChIKey=SBXUQYKIPMWTGP-HXUWFJFHSA-N InChI=1S/C24H34N5O2S/c1-16-12-17(2)14-18(13-16)22(30)28-20(5-11-32-3)23(31)29-9-6-24(7-10-29)21-19(4-8-27-24)25-15-26-21/h12-15,20,25-27H,4-11H2,1-3H3,(H,28,30)/t20-/m1/s1 InChI=1/C24H34N5O2S/c1-16-12-17(2)14-18(13-16)22(30)28-20(5-11-32-3)23(31)29-9-6-24(7-10-29)21-19(4-8-27-24)25-15-26-21/h12-15,20,25-27H,4-11H2,1-3H3,(H,28,30)/t20-/m1/s1/f/h28H 3543.9500597231 -1747.9930226 1-A 17968.6742 122 430 552 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5463.03 5559.76 5567.39 0.610540 0.640290 0.641234 0.545610 -1747.382482 -1747.352733 -1747.351789 -1747.447413 3.207245D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE Cc1cc(cc(c1)C(=O)N[C@H](CCSC)C(=O)N2CCC3(CC2)c4c([nH+]c[nH]4)CCN3)C C24985612 RHF 6-31G(d) (6D,10F) C1 456.243322 |X|Y|Z| 101.125791 81.530145 33.089953 64.857285 24 6 7 19 5 |36.858105| |12.607026|36.858105| |7.550494|13.750362|36.858105| |4.989576|7.828894|13.668265|36.858105| |4.429843|6.828537|7.988800|13.775372|36.858105| |5.016175|7.901068|6.923548|7.909267|13.692603|36.858105| |7.553135|13.687847|7.990426|6.831527|7.917051|13.749468|36.858105| |3.786128|5.029274|4.489831|5.068698|7.690020|12.769997|7.588310|36.858105| |3.149549|4.020524|3.822901|4.490745|6.613537|8.025170|5.353038|15.607371|73.516695| |3.621827|4.460228|3.801492|3.992379|5.279983|7.876872|6.554996|14.164785|15.139956|53.358707| |2.858249|3.330322|2.959631|3.129040|3.942917|5.046031|4.380012|7.829917|12.375845|17.875482|36.858105| |2.703555|3.122548|2.796615|2.964024|3.712040|4.649485|4.042949|7.132647|12.891194|12.685735|17.677796|0.500000| |2.690220|2.975930|2.606647|2.654670|3.156622|3.923400|3.746934|5.109645|8.000474|10.559494|12.410721|0.246094|36.858105| |2.803045|2.985810|2.546553|2.514280|2.911054|3.651362|3.723075|4.460641|6.952268|8.524343|7.447558|0.193329|12.458549|36.858105| |2.418764|2.474570|2.145583|2.092010|2.334769|2.790275|2.905159|3.181404|5.097759|5.524142|4.585707|0.119518|6.960093|10.492605|388.023441| |2.413232|2.388108|2.054871|1.967678|2.152935|2.553179|2.737966|2.806434|4.538038|4.604903|3.569920|0.098347|4.569258|6.852324|74.890946|36.858105| |2.524162|2.960407|2.761209|3.022261|3.805626|4.438999|3.697707|6.386328|11.378088|10.665370|12.387177|0.243522|7.583028|4.890678|25.869661|2.866993|36.858105| |2.618197|3.110285|2.948459|3.266667|4.107064|4.642664|3.826760|6.148028|10.278177|9.652634|8.071988|0.165616|6.013787|4.164392|23.334423|2.620384|15.879516|73.516695| |2.158588|2.481970|2.359316|2.587747|3.165477|3.512325|2.986228|4.722188|9.243004|7.121255|7.590884|0.198195|5.755176|4.105158|23.089276|2.612747|13.948680|15.090189|53.358707| |1.978297|2.276936|2.227777|2.487215|2.995483|3.142041|2.656075|3.955793|7.882864|5.527380|5.009827|0.132027|4.086371|3.146401|18.721941|2.185449|7.962420|12.641605|17.790641|36.858105| |2.009390|2.350356|2.351100|2.701767|3.303228|3.326569|2.724099|4.151708|8.969445|5.303425|4.428959|0.122743|3.462988|2.818463|16.576410|2.006954|6.160495|10.216506|10.685143|12.449442|36.858105| |1.936328|2.242825|2.226045|2.527732|3.064975|3.129442|2.599457|3.927173|8.887020|4.964584|4.189381|0.126708|3.288330|2.792848|16.294332|2.017763|5.088117|7.798793|8.905603|7.400231|12.249559|36.858105| |2.049875|2.357744|2.272502|2.520114|3.078119|3.323432|2.800652|4.396047|9.951126|5.813521|5.304799|0.178210|4.026602|3.421375|19.192586|2.360746|5.902168|8.118422|10.573342|6.510723|7.388484|12.272853|36.858105| |2.028082|2.300803|2.180098|2.369141|2.859713|3.172233|2.747246|4.208357|8.598929|6.162928|6.408925|0.205617|5.097084|4.018946|22.570716|2.639797|7.637036|9.474301|17.822135|7.941586|6.540362|7.391724|12.458333|36.858105| |1.988311|2.327181|2.357017|2.732101|3.313736|3.251475|2.662420|3.924330|9.230799|4.651776|3.632318|0.110128|2.861668|2.526488|14.757363|1.877718|4.094511|6.615794|6.256105|4.944759|7.636222|12.644611|7.678818|4.962288|36.858105| |1.793862|2.068855|2.120493|2.439562|2.846424|2.736591|2.304637|3.134666|6.945731|3.771020|2.896769|0.086851|2.387288|2.157574|12.941377|1.672957|3.190160|5.294871|4.817325|3.865310|5.409784|7.506296|5.294844|3.821403|14.226608|36.858105| |1.863846|2.160790|2.250005|2.617041|3.016481|2.821144|2.373987|3.115061|6.861723|3.644910|2.691982|0.080351|2.226413|2.051491|12.301329|1.614562|2.866937|4.846197|4.121148|3.200477|4.244609|5.218183|4.231738|3.197872|8.737365|13.756293|53.358707| |1.748433|2.004770|2.100433|2.420612|2.714918|2.524012|2.165943|2.717527|5.789230|3.219623|2.364011|0.070085|1.996685|1.860844|11.314303|1.498432|2.493575|4.255267|3.563199|2.764905|3.521382|4.160114|3.498557|2.755309|6.054937|8.928845|25.985445|0.500000| |2.137735|2.534579|2.651040|3.154652|3.755152|3.459951|2.821434|3.827384|8.811933|4.270328|3.058027|0.091515|2.459717|2.267283|13.313790|1.747300|3.197194|5.410939|4.426675|3.330358|4.410127|5.220469|4.493418|3.374528|8.696620|8.654029|19.655187|0.257183|36.858105| |2.259244|2.709134|2.772558|3.300124|4.137662|3.962598|3.125812|4.743842|12.005786|5.206696|3.809515|0.115364|2.926730|2.625761|15.054466|1.937507|4.079327|6.723965|5.689063|4.224859|5.944080|7.369786|6.191433|4.327921|13.765839|8.696882|12.142096|0.171108|14.559731|53.358707| |2.549083|3.130440|3.166155|3.813157|5.076512|4.983171|3.735094|6.331155|18.571834|6.443774|4.536875|0.137234|3.326203|2.961372|16.519680|2.112949|4.731571|7.752490|6.207055|4.371359|5.830766|6.551159|6.253532|4.569189|8.885168|6.008141|8.329007|0.131178|9.215210|25.533747|0.500000| |1.581895|1.792260|1.828657|2.065141|2.353558|2.285507|1.974843|2.587664|5.481212|3.229326|2.527877|0.075071|2.157017|1.953902|12.006132|1.551698|2.806697|4.676780|4.356596|3.593303|4.703482|6.192486|4.494412|3.489487|7.589746|12.748748|9.975003|0.180030|5.206464|7.123809|0.115632|36.858105| |1.570224|1.775981|1.796237|2.018030|2.315656|2.282021|1.973013|2.631433|5.508639|3.368104|2.716724|0.079693|2.330441|2.062420|12.735933|1.615296|3.143215|5.209273|5.135517|4.519802|5.919191|7.618551|5.031594|4.084225|6.960180|7.860793|6.890703|0.122883|4.200694|6.340743|0.109361|12.405529|36.858105| |1.686420|1.913009|1.903181|2.126118|2.487841|2.522081|2.168255|3.023480|6.440404|3.931470|3.302340|0.099128|2.777781|2.418561|14.656122|1.834479|3.871901|6.106115|6.771556|5.807526|7.518892|12.978544|7.781321|5.858138|8.091049|7.062669|6.396524|0.110027|4.249802|7.013885|0.124980|7.775310|13.079251|53.358707| |3.781528|5.002165|7.564799|12.607972|7.543591|5.008250|4.431107|3.809719|6.445023|4.255018|2.602814|0.069242|2.244934|2.117452|12.851837|1.704921|2.603124|5.014553|3.138045|2.287376|2.523411|2.355401|2.277512|2.123183|2.587907|2.380437|3.533475|0.067936|3.070997|4.197386|0.094692|2.031786|1.965241|2.748635|36.858105| |17.539331|8.854780|6.183491|4.404631|3.987660|4.487795|6.359048|3.525385|5.354497|4.561538|2.701763|0.072646|2.544595|2.709311|16.647282|2.398846|2.364134|4.275185|2.794379|1.877002|1.917619|1.879814|2.003632|1.964459|1.944526|1.765971|2.513805|0.048339|2.117066|3.014359|0.069010|1.557279|1.533524|2.240842|3.456898|0.500000| |17.572622|8.834391|5.678558|4.191828|3.957379|4.683462|7.033044|3.736247|5.447163|5.141532|2.990571|0.077532|2.903674|3.077687|19.108238|2.687156|2.600592|4.788093|3.002716|1.999396|1.994671|1.914819|2.047833|2.063667|1.933771|1.736688|2.424703|0.046297|2.025909|2.948709|0.067842|1.542716|1.546096|2.275627|3.258022|0.302078|0.500000| |17.588352|8.841111|7.146891|4.705403|3.964232|4.189299|5.617649|3.240903|4.922641|4.213799|2.515533|0.066029|2.385574|2.452028|15.430802|2.158629|2.282265|4.254849|2.688443|1.838559|1.869703|1.791385|1.870064|1.850416|1.842988|1.679987|2.380874|0.045901|1.987721|2.828719|0.064283|1.491954|1.480286|2.142916|3.785684|0.302098|0.301889|0.500000| |7.027891|8.956744|17.691741|8.932115|5.674465|4.976177|5.670806|3.581080|5.608085|4.276075|2.541529|0.067141|2.290024|2.255442|13.857282|1.886792|2.397808|4.542619|2.841011|1.992176|2.096000|1.991457|2.018871|1.941880|2.109224|1.929755|2.795633|0.053927|2.379146|3.326274|0.075769|1.684307|1.649822|2.355413|7.064854|0.164863|0.145013|0.217429|0.500000| |3.544524|4.930349|5.660354|8.920838|17.734108|8.929048|5.646563|7.179128|12.870951|6.690178|3.912957|0.103527|3.066875|2.762326|15.828700|2.032934|3.996360|7.703895|4.625799|3.315469|3.827005|3.492787|3.372321|3.050160|3.884218|3.291322|4.775907|0.086273|4.482574|6.823815|0.173019|2.659063|2.605380|3.781092|6.963526|0.090755|0.090204|0.090262|0.124416|0.500000| |7.026246|8.923241|5.671079|4.930300|5.632950|8.905833|17.713616|6.985980|8.822657|9.731819|4.747904|0.121473|4.242025|4.451005|24.016159|3.215301|3.760201|6.710867|4.115690|2.619803|2.622377|2.531256|2.803165|2.813461|2.539363|2.196498|3.038505|0.056632|2.613079|3.968419|0.095799|1.903271|1.915362|2.896881|3.544501|0.173137|0.209469|0.142509|0.124581|0.124163|0.500000| |3.973271|4.838823|3.992790|4.038937|5.098149|7.525166|7.113597|9.551657|11.010306|26.028322|9.099484|0.182935|7.389228|6.122122|29.907352|3.461029|6.531728|11.863313|6.115574|3.643147|3.428373|3.140345|3.544738|3.823478|2.954249|2.458295|3.253937|0.059461|2.760392|4.441733|0.108666|2.141100|2.238263|3.487814|3.134280|0.098845|0.119034|0.094029|0.091732|0.126939|0.224359|0.500000| |2.333329|2.555457|2.291233|2.353704|2.763298|3.291660|3.110775|4.190677|6.994830|7.686545|8.900142|0.209933|17.559890|8.871789|46.896452|4.277765|7.151869|9.782626|8.566426|4.352055|3.521059|3.368432|4.170477|5.735969|2.838792|2.381654|2.970551|0.054454|2.364623|3.823073|0.086501|2.193092|2.412883|3.967943|2.038382|0.061811|0.069241|0.058371|0.056673|0.076132|0.095167|0.147388|0.500000| |2.770487|3.048975|2.667936|2.694808|3.160179|3.890788|3.785891|4.788026|7.259988|9.688394|8.866438|0.174300|17.546080|8.807812|46.514173|4.255416|6.930834|11.315533|6.948721|3.883847|3.265954|2.988235|3.465526|4.257993|2.630927|2.221081|2.837727|0.052262|2.297432|3.674177|0.084804|2.018186|2.184622|3.468929|2.279068|0.071368|0.084244|0.068807|0.065304|0.084509|0.118153|0.219642|0.304526|0.500000| |3.302677|3.490035|2.871192|2.771218|3.194506|4.152205|4.466025|4.884972|7.220031|9.435410|6.755717|0.172566|8.795959|17.587969|56.398349|6.525430|4.477507|7.105402|4.983044|2.902704|2.678031|2.641098|3.160327|3.528853|2.456804|2.107205|2.774236|0.051503|2.281515|3.562516|0.082975|1.888811|1.966150|3.091757|2.283932|0.088476|0.102840|0.078404|0.070001|0.081910|0.158403|0.199237|0.173410|0.209863|0.500000| |2.620988|2.796749|2.416197|2.406152|2.790345|3.449473|3.454533|4.267042|6.985846|7.579359|6.816244|0.208651|8.831342|17.558694|56.355937|6.503893|4.563281|6.704990|5.524652|3.099314|2.826752|2.906811|3.688865|4.272866|2.634220|2.250724|2.906708|0.053741|2.354325|3.711362|0.084881|2.036776|2.135636|3.444580|2.043986|0.071804|0.078325|0.063803|0.059652|0.074376|0.112549|0.140865|0.212191|0.173072|0.302250|0.500000| |2.719824|2.636680|2.225325|2.094931|2.273950|2.725531|3.014364|2.924463|4.639977|4.772531|3.512172|0.095879|4.321373|6.407895|55.956633|17.598378|2.797027|4.616269|3.405821|2.111226|1.965531|1.968231|2.281019|2.498620|1.857508|1.656232|2.197796|0.041684|1.761594|2.645698|0.059271|1.524501|1.574392|2.416777|1.797098|0.075463|0.085643|0.066846|0.056735|0.058792|0.100692|0.101478|0.107505|0.114494|0.195937|0.163605|0.500000| |2.296691|2.293634|1.989997|1.921121|2.111460|2.492042|2.634359|2.771521|4.573467|4.463311|3.517980|0.100934|4.321426|6.407435|55.956195|17.598983|2.815171|4.495526|3.563157|2.182280|2.021301|2.071094|2.458447|2.725946|1.930680|1.723341|2.261957|0.042845|1.794321|2.704627|0.059940|1.599374|1.657563|2.574896|1.671341|0.064238|0.069770|0.057018|0.050734|0.055761|0.085091|0.090269|0.115061|0.107048|0.164260|0.195241|0.298845|0.500000| |2.192646|2.147738|1.870870|1.789945|1.935438|2.252261|2.409245|2.438989|3.981957|3.918036|3.031577|0.083015|3.804019|5.100437|57.273530|17.612144|2.535394|4.180158|3.192048|1.999302|1.833021|1.835929|2.115142|2.361248|1.709738|1.537992|2.019849|0.038465|1.592862|2.384879|0.052585|1.439673|1.500985|2.300786|1.569660|0.060492|0.067668|0.055292|0.048225|0.050984|0.077073|0.082373|0.102170|0.101690|0.134969|0.134688|0.300901|0.300872|0.500000| |2.004381|2.308258|2.270484|2.535348|3.025279|3.140527|2.669381|3.831967|7.284979|5.404528|4.681745|0.116979|3.961287|3.027388|18.371851|2.128996|7.513866|14.481755|12.453050|17.698651|8.829956|5.437420|4.853663|5.725383|4.122879|3.355925|3.921632|0.070246|3.019069|5.053435|0.108129|3.132937|3.820432|6.125438|2.342026|0.052266|0.056447|0.052092|0.056530|0.092627|0.072649|0.102730|0.115035|0.110009|0.078530|0.080669|0.057458|0.058236|0.054438|0.500000| |1.786971|2.022257|1.978287|2.180661|2.563926|2.678305|2.322961|3.273085|6.441131|4.614538|4.163693|0.113064|3.631230|2.881949|17.726863|2.081821|5.846964|9.300023|12.517424|17.563584|8.730964|6.612385|5.865266|7.381476|4.424545|3.649634|4.054088|0.072595|2.998468|4.992020|0.102130|3.595833|4.755439|8.404995|2.030024|0.047407|0.050273|0.046375|0.049713|0.077842|0.064180|0.085854|0.111282|0.095579|0.073068|0.079802|0.055321|0.058059|0.053428|0.303001|0.500000| |2.235712|2.677582|2.701885|3.185650|4.040587|3.999448|3.140915|5.068310|11.282526|6.126503|4.825645|0.129963|3.611089|2.932170|16.926622|2.054832|6.724673|11.957586|9.686902|8.991719|17.564433|8.751836|6.440710|5.652732|7.317520|5.108767|5.899441|0.099230|4.827519|9.203414|0.199792|4.165686|4.733407|7.567767|2.940112|0.058793|0.061231|0.057571|0.065949|0.135142|0.082279|0.108938|0.098027|0.095790|0.079040|0.080646|0.056574|0.057121|0.051844|0.219351|0.174064|0.500000| |1.858886|2.157216|2.191431|2.523210|2.999810|2.932384|2.441022|3.471846|7.252627|4.420830|3.565849|0.098106|2.927434|2.439708|14.755800|1.806770|4.699396|8.294995|7.680656|8.795523|17.559554|8.780318|5.451276|4.921003|6.710959|5.414799|5.733032|0.099108|4.161111|7.049818|0.134492|5.025226|6.675948|9.726227|2.424451|0.049285|0.051051|0.048582|0.054958|0.096865|0.064841|0.081720|0.082876|0.078243|0.064868|0.067719|0.049240|0.050431|0.046301|0.210418|0.209917|0.303815|0.500000| |2.293770|2.681846|2.563221|2.858501|3.590720|3.973959|3.263725|5.561341|13.755671|7.021689|6.185227|0.222774|4.341277|3.745083|20.138208|2.501796|6.247891|8.549622|9.442377|5.548639|6.407251|8.795303|17.619720|8.998067|7.437359|5.042958|5.926581|0.099175|4.993682|9.877401|0.228285|4.025964|4.202475|7.764887|2.525318|0.062420|0.063331|0.057445|0.062368|0.108971|0.090512|0.113577|0.118432|0.102454|0.098326|0.112832|0.068073|0.072392|0.061467|0.123475|0.132133|0.178995|0.133654|0.500000| |1.904578|2.156580|2.078911|2.277795|2.715997|2.912009|2.520337|3.687649|8.056521|4.896654|4.325936|0.146425|3.514117|3.138170|18.051854|2.275766|4.507586|6.479781|7.648173|4.952162|5.481145|8.869598|17.586611|8.793588|6.739502|5.222224|5.681044|0.097690|4.249451|7.364722|0.144446|4.642796|5.006033|10.421839|2.079785|0.052275|0.052788|0.048410|0.051836|0.081565|0.070545|0.084806|0.102181|0.084172|0.080480|0.096277|0.060771|0.066822|0.056952|0.108183|0.133841|0.134081|0.124355|0.302348|0.500000| |1.823058|2.039301|1.946576|2.102977|2.480435|2.696939|2.382117|3.406576|6.788531|4.957860|4.846962|0.147684|4.271591|3.483008|20.792190|2.447886|5.747881|7.881004|12.616005|7.389847|5.821985|6.542062|8.762699|17.577046|4.406377|3.591609|4.031447|0.072057|3.016132|5.054709|0.104803|3.473578|4.243816|8.388037|1.916731|0.049149|0.051581|0.046643|0.048747|0.073378|0.067678|0.088931|0.138374|0.102778|0.084821|0.102390|0.063742|0.070298|0.061876|0.150078|0.231710|0.132839|0.131089|0.174668|0.213277|0.500000| |2.090601|2.344424|2.179542|2.324464|2.786443|3.180003|2.824758|4.230107|8.289739|6.517543|7.184264|0.255344|6.044478|4.867752|26.355956|3.048728|6.974914|8.640093|12.329248|5.697566|4.866799|5.433391|8.826580|17.646942|4.141579|3.309879|3.919273|0.069942|3.075664|5.215576|0.114765|3.020762|3.386584|6.195503|2.056960|0.056580|0.059630|0.052565|0.053904|0.080470|0.082379|0.111602|0.195937|0.130566|0.113814|0.150987|0.078972|0.088796|0.074549|0.127402|0.149316|0.125456|0.107684|0.219911|0.208845|0.306789|0.500000| |2.254795|2.688016|2.860127|3.435686|4.003664|3.581233|2.939720|3.764106|8.353966|4.134373|2.865422|0.084989|2.332788|2.187054|12.883569|1.711937|2.917232|5.010148|3.922998|2.902557|3.661957|4.107438|3.743639|2.951350|5.906513|5.888646|12.190115|0.210855|17.826071|12.244654|0.210280|4.094623|3.406947|4.680133|3.389921|0.062474|0.058534|0.058331|0.071490|0.131383|0.074570|0.075101|0.061572|0.060960|0.062042|0.062845|0.048371|0.048743|0.043372|0.074750|0.072739|0.113139|0.096493|0.117492|0.099065|0.073427|0.076601|0.500000| |1.517677|1.703249|1.724703|1.922799|2.174688|2.138763|1.873765|2.417093|5.069666|3.049398|2.398967|0.072182|2.074423|1.907274|11.783356|1.537396|2.598344|4.277292|4.028249|3.202909|3.956203|5.282960|4.265625|3.332902|6.131358|8.947092|8.513582|0.162912|4.611490|6.205008|0.103697|17.563940|8.789050|9.246049|1.881264|0.041778|0.041192|0.039708|0.044278|0.067098|0.050593|0.056185|0.058857|0.053543|0.051069|0.055799|0.041834|0.044331|0.039680|0.077581|0.090332|0.098342|0.112826|0.106077|0.130276|0.093301|0.081978|0.104281|0.500000| |1.508192|1.703283|1.755568|1.985501|2.227108|2.129752|1.852068|2.356410|4.898553|2.936012|2.261975|0.066181|1.954008|1.778693|11.050447|1.434580|2.506731|4.268566|3.808017|3.165555|4.043586|4.787794|3.627462|2.956934|5.770599|8.893205|9.068103|0.182368|4.698504|6.072574|0.100971|17.557844|8.791569|7.665420|1.988715|0.041207|0.040723|0.039794|0.045271|0.069916|0.049311|0.054757|0.054945|0.051379|0.048067|0.051106|0.039287|0.040897|0.037157|0.079153|0.087943|0.102445|0.124636|0.092869|0.102199|0.081948|0.072222|0.106958|0.301078|0.500000| |1.448463|1.619743|1.632412|1.811946|2.050553|2.032858|1.786865|2.318947|4.743612|3.018694|2.444341|0.071521|2.152131|1.922156|12.076976|1.537567|2.790162|4.633455|4.549564|3.929260|4.662884|5.620406|4.234662|3.650431|5.058207|5.671957|5.565250|0.104105|3.444232|5.054891|0.090031|8.852827|17.615694|12.574209|1.768876|0.039379|0.039758|0.038057|0.041937|0.063120|0.048514|0.056297|0.062522|0.056200|0.050678|0.055365|0.041442|0.043896|0.039945|0.094205|0.119859|0.106149|0.143972|0.098808|0.121315|0.109477|0.086040|0.080400|0.219681|0.205151|0.500000| |1.582782|1.798170|1.834823|2.078537|2.380035|2.311448|1.987728|2.637011|5.465796|3.360675|2.677548|0.076714|2.296666|2.011923|12.472146|1.572556|3.174366|5.423506|5.105131|4.755345|6.445842|6.842676|4.472703|3.805763|6.336085|6.828551|6.481124|0.116573|4.060313|6.116176|0.107207|8.860977|17.491113|12.125698|2.045102|0.042652|0.043238|0.041644|0.046865|0.075173|0.053178|0.062627|0.065665|0.060707|0.053558|0.057080|0.042733|0.044453|0.040676|0.115520|0.136778|0.142920|0.234443|0.107340|0.117122|0.108400|0.087632|0.092717|0.174157|0.221630|0.302532|0.500000| |1.629426|1.833905|1.812405|2.004220|2.329618|2.387168|2.077604|2.859998|5.914200|3.829096|3.292169|0.097417|2.842704|2.446390|15.040120|1.859815|3.934705|6.175260|7.211942|6.381171|7.028486|9.305970|6.962974|6.244033|5.863259|5.169549|5.141805|0.091250|3.514421|5.713881|0.106910|5.749287|9.357558|25.940247|1.897774|0.044051|0.045207|0.042321|0.045903|0.071335|0.057129|0.070035|0.084818|0.072647|0.062999|0.070770|0.049598|0.053142|0.047808|0.134607|0.213031|0.141484|0.186964|0.140890|0.187850|0.204287|0.132073|0.081807|0.146611|0.127194|0.233857|0.208992|0.500000| |3.628827|4.584006|6.689098|8.850832|5.916090|4.319202|3.984770|3.382377|5.645967|3.929643|2.432953|0.063964|2.140122|2.011814|12.410911|1.640460|2.459773|4.811321|2.967207|2.179459|2.363575|2.175083|2.097098|1.988854|2.343456|2.166731|3.162973|0.061141|2.679201|3.691886|0.082297|1.883668|1.843376|2.567849|17.555983|0.090265|0.088158|0.104597|0.189828|0.153110|0.090653|0.082130|0.054189|0.061195|0.060107|0.053479|0.048007|0.044374|0.042226|0.062857|0.054010|0.075749|0.063691|0.063689|0.053241|0.050301|0.053511|0.080315|0.048460|0.051481|0.046425|0.053619|0.049715|0.500000| |3.212572|4.152043|5.571028|8.833031|7.231831|4.736003|3.957838|3.835018|6.785156|4.222372|2.636616|0.070545|2.241121|2.084238|12.609568|1.659518|2.702893|5.213591|3.300418|2.451393|2.775095|2.572793|2.427669|2.229060|2.882777|2.661157|3.995323|0.076545|3.502902|4.729488|0.105433|2.244184|2.156560|2.984662|17.578106|0.082854|0.079169|0.087858|0.141209|0.220920|0.090144|0.084660|0.057057|0.062786|0.061599|0.056243|0.048143|0.045413|0.042449|0.069582|0.060171|0.090882|0.074820|0.074493|0.061289|0.055921|0.059164|0.107838|0.057039|0.061346|0.053436|0.062884|0.056764|0.302123|0.500000| 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