Version2.1 2021-01-15T05:05:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(CC(CC([NH2+]1)(C)C)NC(=S)N(Cc2cc(c(cc2OC)OC)OC)C[C@H]3CCCO3)C C21263486 RHF 6-31G(d) (6D,7F) CC1(CC(CC([NH2+]1)(C)C)NC(=S)N(Cc2cc(c(cc2OC)OC)OC)C[C@H]3CCCO3)C C01[X(C25H42N3O4S1)] 219 C1 583 COc1cc(OC)c(cc1CN(C(=S)NC1CC(C)(C)[NH2+]C(C1)(C)C)C[C@H]1CCCO1)OC COc1cc(OC)c(cc1CN(C(=S)NC1CC(C)(C)[NH2+]C(C1)(C)C)C[C@H]1CCCO1)OC COc1cc(OC)c(OC)cc1CN(C[C@H]2CCCO2)C(=S)NC3CC(C)(C)[NH2+]C(C)(C)C3 InChIKey=VUJVAVAHJHYNAD-LJQANCHMSA-O InChI=1S/C25H41N3O4S/c1-24(2)13-18(14-25(3,4)27-24)26-23(33)28(16-19-9-8-10-32-19)15-17-11-21(30-6)22(31-7)12-20(17)29-5/h11-12,18-19,27H,8-10,13-16H2,1-7H3,(H,26,33)/p+1/t19-/m1/s1 InChI=1/C25H41N3O4S/c1-24(2)13-18(14-25(3,4)27-24)26-23(33)28(16-19-9-8-10-32-19)15-17-11-21(30-6)22(31-7)12-20(17)29-5/h11-12,18-19,27H,8-10,13-16H2,1-7H3,(H,26,33)/p+1/t19-/m1/s1/fC25H42N3O4S/h26-27H/q+1 CC1(CC(CC([NH2+]1)(C)C)NC(=S)N(Cc2cc(c(cc2OC)OC)OC)C[C@H]3CCCO3)C C01[X(C25H42N3O4S1)] 219 C01 583 COc1cc(OC)c(cc1CN(C(=S)NC1CC(C)(C)[NH2+]C(C1)(C)C)C[C@H]1CCCO1)OC CO[C]1[CH][C]([C]([CH][C]1C[N]([C]([NH]C1CC(C)(C)[NH2]C(C1)(C)C)S)C[C@H]1CCCO1)OC)OC CO[C]1[CH][C](OC)[C]([CH][C]1CN(C[C@H]2CCCO2)[C](S)NC3CC(C)(C)[NH2]C(C)(C)C3)OC InChIKey=OJQWCNYOTJMPQF-LJQANCHMSA-N InChI=1S/C25H43N3O4S/c1-24(2)13-18(14-25(3,4)27-24)26-23(33)28(16-19-9-8-10-32-19)15-17-11-21(30-6)22(31-7)12-20(17)29-5/h11-12,18-19,26,33H,8-10,13-16,27H2,1-7H3/t19-/m1/s1 InChI=1/C25H43N3O4S/c1-24(2)13-18(14-25(3,4)27-24)26-23(33)28(16-19-9-8-10-32-19)15-17-11-21(30-6)22(31-7)12-20(17)29-5/h11-12,18-19,26,33H,8-10,13-16,27H2,1-7H3/t19-/m1/s1 3892.2109505353 -1831.2394908 1-A 20990.6408 130 453 583 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1951.24 1972.38 1984.81 1985.53 2024.49 2028.69 2046.25 2062.42 2065.07 2085.36 2107.41 2120.12 2129.94 2137.56 2163.49 2166.58 2169.19 2201.00 2203.88 2205.23 2224.28 2251.20 2253.38 2261.46 2263.50 2267.48 2272.98 2295.37 2300.13 2305.86 2329.31 2334.79 2340.09 2343.38 2349.40 2352.05 2352.98 2362.30 2363.57 2364.70 2369.64 2370.15 2373.51 2375.18 2375.39 2375.75 2377.26 2385.78 2386.24 2387.66 2395.00 2395.39 2409.23 2428.16 2469.07 2571.12 2584.87 2613.07 2617.17 4603.40 4609.55 4612.10 4615.76 4618.68 4620.46 4621.80 4627.56 4636.56 4638.22 4640.62 4646.06 4656.05 4697.06 4698.16 4706.13 4707.39 4708.27 4710.14 4713.49 4725.59 4733.71 4739.77 4742.19 4744.64 4748.30 4757.92 4761.29 4766.98 4777.25 4782.08 4790.21 4804.00 4807.75 4812.53 4849.56 4855.92 4920.36 4946.17 5285.01 5379.64 5446.59 0.712693 0.746331 0.747275 0.644663 -1830.526798 -1830.493160 -1830.492215 -1830.594827 3.441623D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE CC1(CC(CC([NH2+]1)(C)C)NC(=S)N(Cc2cc(c(cc2OC)OC)OC)C[C@H]3CCCO3)C C21263486 RHF 6-31G(d) (6D,10F) C1 480.289604 |X|Y|Z| 120.404797 73.737265 32.494927 66.076768 22 6 7 8 18 3 1 |36.858105| |12.448778|36.858105| |7.449523|12.420063|36.858105| |5.957625|7.448757|12.455253|36.858105| |4.940281|6.333275|7.618811|12.440950|36.858105| |5.654582|7.066649|6.306099|7.438120|12.453419|36.858105| |7.582294|12.393709|7.677199|6.626836|7.702979|12.340188|53.358707| |7.313700|9.129885|5.688589|5.054338|5.699087|9.100192|25.691008|0.500000| |5.717693|9.252487|6.901974|5.750628|6.934258|9.244509|25.719628|0.330697|0.500000| |4.046591|4.888079|4.445428|4.894802|7.541852|12.445430|10.619751|0.196711|0.217398|36.858105| |5.694836|5.650100|4.929638|5.956425|7.451840|12.451839|10.286062|0.202206|0.158634|7.626285|36.858105| |4.268081|5.000895|7.854732|13.160392|7.768540|4.977038|6.133641|0.102379|0.117885|3.835503|4.253589|53.358707| |3.558364|3.841481|5.183542|7.716941|5.823236|4.104708|4.886202|0.085505|0.093359|3.315356|3.823535|19.103587|36.858105| |3.525297|3.547156|4.280036|6.297573|5.386345|4.164732|4.699546|0.084936|0.086875|3.348810|4.332897|9.741157|11.174357|388.023441| |2.923953|3.149970|4.110359|5.227573|4.311773|3.247022|4.005266|0.071531|0.078666|2.770890|3.023068|11.373934|14.253085|50.329372|53.358707| |2.491959|2.590807|3.177237|3.868002|3.367511|2.701182|3.335552|0.061141|0.065336|2.366155|2.616993|7.071340|7.718195|43.723699|17.546962|36.858105| |2.158768|2.265192|2.699398|3.232829|3.017473|2.460798|3.005544|0.055565|0.059677|2.235543|2.374139|5.591077|5.468640|34.277538|10.331838|12.594320|36.858105| |2.120738|2.220956|2.590223|3.164123|3.102828|2.549643|3.028889|0.056269|0.059999|2.354410|2.488862|5.219547|5.008498|35.417933|7.991498|7.551311|13.579956|36.858105| |1.866884|1.958111|2.233946|2.649923|2.675365|2.263365|2.705318|0.050788|0.054122|2.152811|2.207221|4.204613|3.743161|26.669169|5.751024|5.013446|7.843355|13.892083|36.858105| |1.697865|1.785165|2.032509|2.339817|2.334905|1.998581|2.443726|0.046045|0.049306|1.913004|1.932111|3.714985|3.200787|21.832212|5.071344|4.419568|6.807149|7.960266|13.523609|36.858105| |1.715543|1.806276|2.081769|2.365258|2.297359|1.954507|2.430129|0.045634|0.049104|1.847807|1.876584|3.838215|3.308697|21.550134|5.532235|4.996852|7.901496|6.922150|7.906391|13.824655|36.858105| |1.911358|2.011439|2.367370|2.718160|2.558440|2.135488|2.662867|0.049600|0.053479|1.974743|2.046196|4.579460|4.106136|25.559879|7.466621|7.533726|13.816435|7.978680|6.834811|7.898527|13.617823|36.858105| |1.889152|1.986420|2.350374|2.621276|2.406343|2.023498|2.580999|0.048110|0.051971|1.859065|1.929964|4.432632|3.841660|23.086691|7.102053|6.770869|8.123534|5.260006|4.592878|5.198756|7.897917|13.995157|73.516695| |1.670601|1.745908|2.024240|2.205555|2.047644|1.762794|2.272769|0.042785|0.045937|1.638949|1.689849|3.596283|3.000653|18.730759|5.150808|4.587619|5.279544|4.002351|3.794613|4.528697|6.707528|7.963970|24.125825|36.858105| |1.537145|1.613777|1.807385|2.049887|2.076793|1.814619|2.227780|0.042320|0.045151|1.766585|1.758798|3.169521|2.647360|18.362315|4.046103|3.374220|4.607175|5.318045|8.180395|14.233346|7.927356|5.198415|7.036719|3.729071|73.516695| |1.409606|1.479084|1.648841|1.833920|1.844005|1.627875|2.029390|0.038704|0.041312|1.589020|1.573360|2.820296|2.310032|15.795159|3.541251|2.919835|3.784834|3.997907|5.243649|8.024217|6.748585|4.513385|6.642141|3.793840|24.193741|36.858105| |1.785225|1.865460|2.084290|2.464885|2.564256|2.219681|2.623921|0.049690|0.052492|2.154611|2.188397|3.763149|3.246106|24.239318|4.693188|3.858575|5.160793|7.889358|14.132768|8.151030|5.285516|4.609521|6.164703|3.013862|13.111502|4.787069|73.516695| |1.904451|1.973462|2.180425|2.626298|2.784090|2.433155|2.812436|0.053439|0.055684|2.361634|2.450723|3.903911|3.376098|27.032383|4.617745|3.690966|4.506786|6.742503|8.043654|5.249511|3.990461|3.798664|5.337832|2.601843|8.518308|3.548524|24.230329|36.858105| |2.701240|3.006781|3.950906|4.562390|3.892847|2.979789|3.807450|0.067897|0.077083|2.617513|2.678797|9.475037|7.731834|33.419467|17.709708|7.708587|6.158443|4.755110|3.775393|3.567307|4.051811|5.356578|9.908166|4.064515|5.152613|2.612234|5.513409|2.947320|36.858105| |2.698585|2.978244|3.907244|4.097083|3.365435|2.699312|3.617602|0.065094|0.073376|2.360501|2.443192|7.780673|5.670609|27.245524|10.258104|5.662253|4.478343|3.557592|2.967340|2.893772|3.320454|4.227091|8.642762|3.843518|4.328765|2.267456|4.467001|2.405621|12.499337|36.858105| |2.615636|2.787790|3.557203|3.756453|3.060704|2.512380|3.363567|0.061307|0.067238|2.187497|2.338426|6.847196|5.365318|27.272866|9.765773|6.140246|4.560191|3.530247|2.920044|2.855474|3.315034|4.313477|9.198658|4.097629|4.256817|2.237357|4.376484|2.361070|8.877076|17.546571|0.500000| |2.306239|2.555924|3.197756|3.220278|2.803856|2.326557|3.160126|0.057644|0.065347|2.101465|2.098462|5.582216|3.986094|21.097560|6.716508|4.201917|3.732553|3.045894|2.675299|2.715250|3.160984|3.829227|8.129831|3.902826|4.158178|2.240823|4.070374|2.153436|7.457274|12.491990|0.245574|36.858105| |2.357940|2.606940|3.216372|3.049644|2.619611|2.235920|3.139120|0.057646|0.065076|2.011409|2.019159|4.996712|3.416247|18.789746|5.304705|3.360127|2.950048|2.502286|2.224663|2.236646|2.533566|2.970263|6.123343|3.095303|3.504249|1.901451|3.473822|1.870359|5.093861|8.042088|0.190707|12.469243|36.858105| |2.881311|3.270979|4.236760|3.795042|3.119579|2.633260|3.788760|0.068429|0.078506|2.310950|2.335857|6.197039|3.925387|21.000121|5.735554|3.411267|2.902793|2.517233|2.205278|2.155901|2.378751|2.789010|5.490251|2.705491|3.375086|1.801000|3.482755|1.913271|5.300387|8.115105|0.183208|8.006388|12.448735|36.858105| |3.198574|3.636612|5.059138|4.857856|3.768103|3.023177|4.212946|0.074675|0.085658|2.582468|2.677095|8.955583|5.534984|26.831011|8.244264|4.439188|3.567281|3.034266|2.569347|2.460135|2.714117|3.288169|6.375245|2.987818|3.770140|1.974172|3.998835|2.208225|7.881921|13.393962|0.258581|8.176425|8.074182|13.415847|73.516695| |7.629531|12.439895|7.545506|4.901830|4.458274|4.881028|10.621692|0.196757|0.216911|3.991347|4.039203|5.250086|3.075211|19.901080|3.630277|2.238899|1.990035|1.936232|1.736412|1.611089|1.640131|1.809239|3.217383|1.615888|2.614762|1.364809|2.944265|1.728666|2.651712|2.712590|0.070310|2.424131|2.553495|3.206301|5.926782|36.858105| |17.594835|8.930832|6.682414|5.139002|4.102140|4.363629|7.547148|0.148268|0.128259|3.328998|4.349364|5.449535|3.382988|23.283170|3.885771|2.452921|2.104603|2.035039|1.791182|1.645316|1.679490|1.880443|3.350089|1.674903|2.645689|1.373778|3.021282|1.794075|2.667526|2.751447|0.075003|2.356343|2.462113|3.037748|5.884896|7.162332|0.500000| |17.548256|8.760882|5.446539|4.631177|4.233667|5.202765|9.575086|0.222885|0.150255|3.971006|5.505472|4.753289|3.008398|21.699887|3.441584|2.202571|1.945126|1.930351|1.722780|1.571380|1.577996|1.737176|3.042991|1.528944|2.553105|1.321051|2.960508|1.782332|2.354853|2.343135|0.063235|2.046235|2.093085|2.501956|4.831018|6.872062|0.302990|0.500000| |17.669902|8.667429|6.837879|6.587667|5.293374|5.897581|8.994664|0.173183|0.138635|4.069762|6.685153|6.283173|3.976919|29.620544|4.311703|2.713868|2.325018|2.299886|2.002283|1.799584|1.809884|2.026637|3.529380|1.742666|2.880333|1.474684|3.405195|2.066269|2.821745|2.763583|0.075290|2.319364|2.326313|2.801832|5.690989|5.499170|0.303855|0.301130|0.500000| |5.485719|8.846758|17.507603|8.855274|6.948091|5.613976|9.248358|0.141931|0.197583|4.363090|4.199099|9.740174|4.742904|26.793072|5.421885|3.057930|2.658499|2.540144|2.217395|2.040374|2.098088|2.370741|4.204713|2.043427|3.237247|1.669877|3.670460|2.131462|4.091375|4.066711|0.098899|3.435120|3.470454|4.666151|9.576783|7.256947|0.141794|0.122947|0.138232|0.500000| |7.065195|8.939546|17.572852|8.819981|5.523038|4.744815|7.596658|0.127035|0.141547|3.564623|4.096927|9.748686|5.047060|29.209994|5.652854|3.244316|2.689358|2.520947|2.164685|1.989891|2.066823|2.376638|4.278461|2.078151|3.135430|1.619959|3.553829|2.071902|4.011468|4.230297|0.109448|3.399146|3.533593|4.841561|10.281733|6.712525|0.206035|0.141872|0.180787|0.303553|0.500000| |6.606684|6.805494|8.868636|17.677749|8.869719|6.807956|8.108202|0.135436|0.136271|4.467615|6.616624|12.616877|7.331358|52.100485|6.680960|3.848769|3.163952|3.121332|2.599102|2.277203|2.291626|2.635025|4.504742|2.142936|3.549917|1.783127|4.324245|2.632164|4.050706|3.700457|0.098632|2.915394|2.780695|3.376187|7.537423|4.468021|0.156057|0.139799|0.235153|0.174027|0.212516|0.500000| |4.217789|5.658926|6.986990|8.890792|17.512902|8.840694|9.297890|0.142361|0.199157|7.220194|5.479482|9.678953|5.229944|31.778618|5.677725|3.229569|2.964460|3.023400|2.651761|2.350027|2.321717|2.565054|4.308281|2.068177|3.733646|1.875500|4.502944|2.690447|4.030357|3.465092|0.085051|2.958798|2.749425|3.276281|6.924984|4.392482|0.101075|0.102705|0.118818|0.210289|0.142515|0.174441|0.500000| |4.103275|4.760961|5.538883|8.867075|17.618801|8.944079|7.605721|0.127000|0.141961|6.689503|7.050973|9.672983|6.244448|45.403703|6.199224|3.633016|3.321015|3.548299|3.030016|2.570123|2.480126|2.749208|4.479447|2.127149|4.041125|1.984675|5.220120|3.273549|3.927046|3.257489|0.083313|2.710337|2.474430|2.855812|6.169196|3.573582|0.097252|0.100551|0.126616|0.142342|0.123762|0.213389|0.302998|0.500000| |3.477577|3.998292|3.847385|4.481290|6.878995|8.880371|7.629026|0.143845|0.153100|17.600461|6.927967|5.034016|3.335524|24.697994|3.812747|2.425090|2.332363|2.513743|2.315891|2.030988|1.932509|2.047232|3.375838|1.670716|3.344769|1.676111|4.188082|2.627699|2.612465|2.307233|0.059610|2.054507|1.936347|2.187298|4.379035|3.303917|0.081418|0.094164|0.100347|0.104726|0.088327|0.116063|0.181137|0.198467|0.500000| |3.909076|4.495189|3.853332|4.041244|5.473815|8.737655|9.567780|0.208310|0.192266|17.544711|7.006546|4.390251|2.844949|20.774090|3.293934|2.109154|1.996607|2.096960|1.936287|1.734788|1.676795|1.781463|2.998528|1.502762|2.872795|1.463876|3.465627|2.135425|2.292555|2.106480|0.054804|1.895579|1.836018|2.095975|4.092533|3.839890|0.089385|0.112200|0.107461|0.103984|0.088686|0.106715|0.144302|0.138481|0.302347|0.500000| |3.705552|4.700686|4.420377|4.627803|6.877020|8.727947|9.688091|0.172682|0.236041|17.543949|5.504613|5.143839|3.202074|21.931169|3.727855|2.317990|2.206507|2.301689|2.119897|1.906519|1.851590|1.972694|3.319708|1.650068|3.138098|1.597233|3.748539|2.268667|2.668200|2.413973|0.061272|2.181000|2.090656|2.405905|4.721470|4.074280|0.087136|0.099913|0.100401|0.128531|0.098129|0.112126|0.217124|0.163519|0.302785|0.299781|0.500000| |6.613528|5.854907|5.277224|6.608630|6.870591|8.665765|8.921667|0.171299|0.138013|5.499947|17.673748|6.292998|4.224573|35.536742|4.435670|2.824060|2.495839|2.584301|2.253413|1.969689|1.928890|2.130778|3.591567|1.760563|3.159329|1.589657|3.922001|2.464586|2.814430|2.589482|0.069810|2.184495|2.107625|2.452028|5.063243|4.043697|0.139230|0.167035|0.251180|0.118336|0.126280|0.236693|0.138603|0.182089|0.142649|0.140803|0.122098|0.500000| |5.543323|5.219458|4.236721|4.640309|5.450219|8.755760|9.571136|0.222367|0.150159|6.843368|17.541561|4.748767|3.160769|24.986565|3.527120|2.285752|2.092462|2.183620|1.967087|1.743313|1.695493|1.832912|3.095752|1.543618|2.850794|1.446901|3.487899|2.182749|2.341808|2.177680|0.058193|1.903077|1.854461|2.133037|4.246501|3.973186|0.117722|0.165238|0.170367|0.102493|0.100751|0.140384|0.122825|0.141502|0.166826|0.206513|0.140341|0.300370|0.500000| |4.343622|4.359152|4.088672|5.120650|6.659870|8.946090|7.537423|0.148059|0.128347|7.186216|17.602510|5.406727|3.756120|31.792009|4.081786|2.645950|2.448881|2.634040|2.350861|2.028527|1.940458|2.096360|3.461799|1.703643|3.293195|1.641997|4.215018|2.717535|2.627429|2.347874|0.062572|2.025672|1.921100|2.181922|4.457130|3.324876|0.098135|0.117050|0.139872|0.100556|0.096921|0.155547|0.141238|0.204306|0.215523|0.180532|0.143974|0.305070|0.302614|0.500000| |4.018789|4.803234|7.796699|9.134081|6.043372|4.258684|5.641696|0.095163|0.112005|3.419417|3.616961|25.940565|9.478705|38.332873|10.665540|4.919195|3.901366|3.505829|2.881017|2.624409|2.774720|3.329402|5.946178|2.726183|3.995713|2.031695|4.543744|2.590009|7.990135|7.306992|0.165787|4.972629|4.490457|5.965301|17.375465|3.935758|0.108828|0.091709|0.115463|0.218856|0.217042|0.190052|0.169069|0.149081|0.090302|0.081419|0.096334|0.107644|0.085532|0.093143|0.500000| |2.363960|2.441663|2.976712|3.451430|2.965203|2.436446|3.090078|0.057022|0.060791|2.143634|2.359688|6.150315|5.993582|34.280884|12.542236|17.643684|8.930198|5.619560|4.192408|3.975791|4.748516|7.256416|14.235684|5.314976|5.534862|2.794712|5.868444|3.113799|7.232047|6.224509|0.210446|4.632213|3.681305|3.603296|8.191087|2.151237|0.065812|0.058155|0.070662|0.080052|0.086643|0.095428|0.079798|0.086311|0.060332|0.053663|0.058708|0.070807|0.058123|0.065452|0.125903|0.500000| |2.576015|2.609063|3.137440|3.887102|3.369904|2.751563|3.363254|0.062117|0.064867|2.383388|2.751410|6.725210|7.512945|53.014445|12.503821|17.727268|8.905402|7.005309|4.710582|3.994431|4.264028|5.775828|9.166570|3.852444|5.582255|2.703563|6.750137|3.808101|5.666362|4.571738|0.139499|3.490371|2.945197|3.055496|6.920101|2.224695|0.070208|0.063324|0.079523|0.081672|0.089059|0.112678|0.087001|0.102421|0.068124|0.059373|0.063757|0.083972|0.066552|0.077813|0.124543|0.303625|0.500000| |2.309496|2.401920|2.792492|3.529787|3.495741|2.849907|3.304777|0.061272|0.064672|2.598195|2.828622|5.722089|5.691463|45.269465|8.168851|7.115418|8.966539|17.775249|8.977667|5.650151|4.982312|5.691887|7.582468|3.351434|7.614323|3.333945|12.580409|7.517178|4.527465|3.423130|0.094279|2.866676|2.411283|2.490426|5.387234|2.054880|0.060882|0.058254|0.070630|0.074788|0.074688|0.098537|0.092016|0.114941|0.077875|0.063890|0.069387|0.082092|0.067934|0.084448|0.102474|0.143278|0.208006|0.500000| |1.588097|1.671623|1.911950|2.129565|2.068031|1.782337|2.243198|0.042320|0.045539|1.696085|1.708215|3.409979|2.856790|18.562035|4.697105|4.080933|5.644414|4.984873|5.636850|8.978677|17.811263|8.895635|12.744348|7.481431|12.686729|7.568192|7.598208|3.334385|3.568303|3.066149|0.085181|3.040393|2.459397|2.263829|4.481179|1.536583|0.043405|0.040760|0.046195|0.053834|0.052971|0.057219|0.058412|0.061201|0.048999|0.043041|0.047452|0.048637|0.043242|0.048807|0.069478|0.112904|0.098374|0.108147|0.500000| |1.590513|1.645588|1.884905|2.063280|1.928568|1.677508|2.152928|0.040767|0.043325|1.563998|1.627252|3.307229|2.781463|18.030984|4.639124|4.246231|4.988380|3.954025|3.851180|4.670612|6.740389|7.226397|16.432752|17.579599|6.947013|4.027083|5.479873|2.645648|3.479496|3.264457|0.097373|3.229132|2.663410|2.386196|4.678125|1.519597|0.044221|0.040642|0.046303|0.052405|0.053624|0.056354|0.053641|0.056042|0.044488|0.040022|0.043468|0.047146|0.041416|0.045827|0.068550|0.133293|0.103644|0.091964|0.212957|0.500000| |1.592265|1.678050|1.936366|2.094342|1.974039|1.704930|2.201256|0.041473|0.044827|1.603449|1.621619|3.386069|2.763587|17.215699|4.650420|3.917634|4.603564|3.692698|3.654065|4.526093|6.652856|6.777934|16.400693|17.569922|6.879409|4.119736|5.245853|2.515114|3.791279|3.562440|0.101213|3.790181|3.001216|2.599869|5.009344|1.565097|0.044201|0.040658|0.045843|0.054893|0.054778|0.055986|0.056028|0.056844|0.045455|0.040854|0.045158|0.046514|0.041273|0.045468|0.071556|0.119862|0.092243|0.086074|0.233854|0.298907|0.500000| |1.669726|1.738831|2.016160|2.161725|1.979805|1.714271|2.237709|0.042186|0.045209|1.585359|1.643621|3.510132|2.881794|17.858114|4.898438|4.233348|4.439488|3.425148|3.187329|3.626589|4.895731|5.867014|16.953792|17.637103|5.474193|3.132224|4.639514|2.315226|3.920817|3.977129|0.121657|4.144046|3.349392|2.847041|5.483535|1.620948|0.046920|0.042390|0.048169|0.056502|0.058217|0.058456|0.055472|0.056446|0.044533|0.040531|0.044370|0.047765|0.041874|0.045655|0.075009|0.142391|0.100308|0.082634|0.146264|0.299858|0.300645|0.500000| |1.417871|1.499587|1.679867|1.854591|1.863142|1.637302|2.053428|0.039045|0.042047|1.601166|1.565287|2.870059|2.322740|15.504462|3.594879|2.903304|3.723094|3.789247|4.727391|7.010427|6.728528|4.564818|6.931151|4.007734|16.435108|17.556751|7.477881|3.217081|2.733433|2.377457|0.064432|2.398304|2.015504|1.888583|3.656168|1.391341|0.038447|0.036849|0.040975|0.047670|0.045849|0.049614|0.053191|0.055268|0.046691|0.040879|0.045067|0.043823|0.039987|0.045113|0.058033|0.077885|0.073252|0.087946|0.227958|0.113410|0.127265|0.091586|0.500000| |1.379451|1.437108|1.601085|1.773616|1.760761|1.559699|1.956000|0.037380|0.039666|1.510441|1.517253|2.729138|2.247243|15.426947|3.466423|2.923302|3.745489|3.816295|4.765310|7.059618|6.750341|4.586791|6.932224|4.145653|16.440729|17.561013|7.535022|3.259592|2.540743|2.243146|0.062445|2.216324|1.889233|1.777216|3.454512|1.327589|0.037536|0.035891|0.040137|0.044820|0.044043|0.048233|0.049413|0.052390|0.044021|0.038793|0.042023|0.042868|0.038842|0.043810|0.054800|0.079278|0.075614|0.088589|0.225988|0.128763|0.123380|0.094159|0.298608|0.500000| |1.329517|1.392483|1.536838|1.701380|1.726438|1.541695|1.922232|0.036844|0.039179|1.518638|1.494897|2.577988|2.088164|14.465429|3.136470|2.541643|3.180719|3.424429|4.415635|5.897585|4.919252|3.618707|5.483726|3.133800|17.023388|17.657970|7.780369|3.348687|2.304968|2.022658|0.055342|2.002485|1.726422|1.646135|3.183584|1.289472|0.035925|0.034806|0.038569|0.043228|0.041810|0.046046|0.048774|0.051583|0.044620|0.039065|0.042388|0.041753|0.038394|0.043468|0.051459|0.067483|0.066436|0.082232|0.147357|0.092062|0.093691|0.074203|0.300061|0.299988|0.500000| |1.770202|1.829661|1.988711|2.354037|2.525769|2.264905|2.629988|0.050454|0.052255|2.242341|2.293229|3.421984|2.869830|22.831700|3.888830|3.052598|3.611368|4.912937|5.894367|4.408492|3.413896|3.187167|4.623268|2.313563|7.758755|3.341441|17.023159|17.646949|2.545168|2.126608|0.057922|1.933331|1.700436|1.737562|3.512200|1.617082|0.046277|0.046487|0.053052|0.054163|0.052403|0.065558|0.068139|0.081519|0.069678|0.056974|0.059845|0.063370|0.057516|0.070974|0.063632|0.073577|0.087277|0.146674|0.082147|0.065617|0.062801|0.057664|0.083709|0.084796|0.090853|0.500000| |1.940604|1.979135|2.182118|2.637976|2.732241|2.403746|2.789957|0.053198|0.054657|2.288362|2.474597|3.909058|3.453741|29.088271|4.690499|3.882367|4.600515|6.755114|7.115759|4.808267|3.836175|3.780581|5.363359|2.611300|7.596293|3.273280|16.444636|17.556736|2.905282|2.402096|0.066614|2.123962|1.857027|1.904016|3.922327|1.724329|0.050957|0.050372|0.059061|0.058472|0.058134|0.075011|0.071956|0.088871|0.070047|0.057858|0.060428|0.070331|0.061229|0.076106|0.071694|0.090754|0.116390|0.223462|0.089113|0.074674|0.068794|0.064985|0.082035|0.086514|0.085243|0.299712|0.500000| |2.088090|2.188319|2.432435|2.995914|3.264655|2.798989|3.159874|0.059523|0.062544|2.721781|2.790169|4.441541|3.832579|30.850371|5.077912|3.861973|4.559911|6.735609|7.008946|4.708316|3.765883|3.725512|5.304532|2.542399|7.445271|3.207081|16.433044|17.547260|3.209165|2.568136|0.069007|2.272394|1.970846|2.044197|4.237530|1.894735|0.054087|0.054059|0.063107|0.066090|0.063277|0.082619|0.087461|0.110096|0.085526|0.067256|0.072357|0.077179|0.067945|0.087076|0.080337|0.088743|0.109892|0.228619|0.087580|0.070356|0.068420|0.063404|0.083563|0.081531|0.083637|0.299864|0.299252|0.500000| |2.350118|2.580305|3.241489|3.690220|3.316647|2.621518|3.332326|0.060350|0.067808|2.366457|2.390318|6.956712|5.861917|29.091712|12.669592|7.752007|7.348588|5.259244|4.254462|4.201819|5.057692|7.058777|13.345052|5.055045|5.904987|3.004029|5.978382|3.070005|17.665632|8.971181|0.205418|7.153334|4.654005|4.424258|10.233196|2.314648|0.064452|0.057917|0.068119|0.093323|0.090811|0.093421|0.095734|0.094953|0.066453|0.058105|0.067097|0.069115|0.058685|0.066081|0.153356|0.208974|0.151112|0.129357|0.122534|0.115386|0.131929|0.130174|0.088602|0.081093|0.072140|0.073355|0.083240|0.091058|0.500000| |2.800664|3.233495|4.318748|4.978272|4.426333|3.281426|4.173844|0.073335|0.086128|2.911321|2.841157|10.343395|7.203868|31.797467|12.359443|5.744491|5.094371|4.351415|3.589094|3.359808|3.665290|4.495874|7.942449|3.462043|4.973338|2.517187|5.407547|2.920411|17.597423|8.884837|0.174882|6.593144|4.798411|5.248857|13.229647|2.854166|0.075661|0.067908|0.080237|0.130231|0.116581|0.116134|0.134284|0.121999|0.080423|0.069707|0.084091|0.081243|0.068647|0.077207|0.247085|0.144537|0.128289|0.117843|0.090629|0.083762|0.093062|0.092157|0.073686|0.066863|0.062436|0.070734|0.078321|0.090283|0.304584|0.500000| |2.075732|2.257206|2.749429|2.814679|2.492945|2.098669|2.823964|0.052083|0.058104|1.913723|1.924445|4.779758|3.574004|19.687605|6.133296|4.177226|3.836564|3.064601|2.727689|2.846202|3.423302|4.166274|9.509567|4.722613|4.350694|2.381580|4.105316|2.138253|6.316182|8.741295|0.219219|17.600888|8.661558|5.700594|10.360148|2.140183|0.058880|0.051668|0.058408|0.080494|0.080771|0.072359|0.072259|0.068096|0.052447|0.048278|0.054817|0.055673|0.048711|0.052084|0.112582|0.133024|0.095729|0.078387|0.093515|0.104274|0.127461|0.144969|0.071247|0.066204|0.058594|0.053361|0.058737|0.061753|0.191430|0.149060|0.500000| |2.256914|2.549982|3.177565|3.205681|2.885000|2.379860|3.217147|0.058458|0.067515|2.184626|2.111153|5.506455|3.841253|20.418542|6.311967|3.878894|3.620698|3.040971|2.718104|2.767342|3.177255|3.727526|7.546764|3.647839|4.273800|2.303089|4.164046|2.191922|7.164217|8.833160|0.174271|17.523734|8.801176|6.819358|12.254146|2.432274|0.063203|0.055970|0.062705|0.097510|0.090918|0.079056|0.086857|0.077415|0.059447|0.054423|0.063855|0.060187|0.053154|0.056833|0.134852|0.112939|0.089922|0.079296|0.085082|0.084455|0.102238|0.103594|0.069333|0.062321|0.057319|0.054853|0.059172|0.064745|0.197539|0.202557|0.301230|0.500000| |2.258711|2.432662|2.942197|2.807113|2.398582|2.077159|2.914643|0.054072|0.059744|1.863276|1.911439|4.525842|3.186875|18.024035|4.946791|3.271077|2.840873|2.395266|2.130203|2.149849|2.448628|2.879625|6.053278|3.127258|3.373643|1.840277|3.326518|1.792735|4.463886|6.847945|0.191620|8.825681|17.564553|8.805190|11.719271|2.379207|0.066260|0.055891|0.062247|0.085591|0.091178|0.072919|0.068617|0.063426|0.049956|0.047627|0.053233|0.055879|0.049011|0.050577|0.109672|0.102528|0.080748|0.064092|0.066410|0.075253|0.082712|0.096828|0.053818|0.051349|0.046432|0.045340|0.049899|0.051997|0.115724|0.112364|0.217352|0.173928|0.500000| |2.172158|2.413612|2.899223|2.717241|2.401522|2.083466|2.944932|0.054470|0.061762|1.906535|1.874521|4.310899|2.932119|16.594666|4.455859|2.875033|2.611549|2.261646|2.051428|2.080718|2.338734|2.665848|5.420444|2.822959|3.310023|1.814861|3.238974|1.739796|4.173703|5.717784|0.138334|8.669829|17.596629|8.717805|10.402190|2.418277|0.062784|0.054253|0.058975|0.088172|0.086790|0.068751|0.070806|0.062933|0.050920|0.048623|0.055517|0.053786|0.048234|0.049624|0.104862|0.086000|0.070835|0.060440|0.063908|0.067954|0.077876|0.084393|0.053775|0.049931|0.046070|0.044316|0.047692|0.050817|0.109687|0.114150|0.194038|0.216761|0.301983|0.500000| |3.003836|3.326016|4.188651|3.622287|2.937332|2.548880|3.742957|0.068371|0.076661|2.218372|2.297096|5.619278|3.588437|19.983010|5.072152|3.111038|2.627451|2.303313|2.023496|1.970663|2.157957|2.511928|4.923132|2.465087|3.106312|1.660736|3.225306|1.787487|4.325154|6.153542|0.158262|5.794849|8.684013|17.596532|16.541397|3.321920|0.090628|0.072290|0.080292|0.123389|0.139820|0.092046|0.083811|0.074306|0.057935|0.056565|0.063536|0.067635|0.058843|0.059062|0.144010|0.091810|0.079629|0.063909|0.057180|0.061366|0.065284|0.072609|0.048004|0.045773|0.042395|0.045315|0.049813|0.052811|0.102285|0.116860|0.128111|0.137890|0.222372|0.190235|0.500000| |2.905819|3.421860|4.401921|3.800583|3.223957|2.736005|4.003049|0.071875|0.084987|2.432687|2.369621|5.981393|3.653439|19.836088|5.171628|3.063287|2.687403|2.388065|2.119846|2.068437|2.250070|2.582238|4.964155|2.466971|3.271509|1.746271|3.387817|1.866742|4.752090|6.253026|0.139419|6.531850|8.747307|17.558280|16.597672|3.458904|0.084012|0.070608|0.077066|0.143675|0.134000|0.091527|0.096913|0.080591|0.063350|0.061148|0.071647|0.067979|0.060351|0.061235|0.158015|0.087356|0.076799|0.065914|0.059611|0.060840|0.066999|0.070995|0.051053|0.047471|0.044609|0.047384|0.051141|0.055760|0.111925|0.141368|0.133910|0.180247|0.174990|0.221031|0.300895|0.500000| |6.929911|8.866658|6.885554|4.486114|3.855037|3.993453|7.629932|0.143948|0.152777|3.303267|3.473534|5.067351|3.004360|19.199428|3.610018|2.238217|1.969293|1.889703|1.690583|1.580229|1.624047|1.801978|3.245114|1.635887|2.559163|1.342750|2.844970|1.658081|2.658590|2.809002|0.073489|2.515999|2.722711|3.480715|6.263476|17.597311|0.214794|0.167699|0.142301|0.182273|0.199487|0.116057|0.105291|0.088526|0.078728|0.088126|0.093248|0.099830|0.094302|0.081321|0.108753|0.060614|0.061650|0.055304|0.042427|0.042643|0.043865|0.045973|0.038065|0.036464|0.035156|0.042988|0.046163|0.050068|0.064343|0.078177|0.061535|0.069092|0.071104|0.071413|0.103857|0.103340|0.500000| 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