Version2.0 2020-01-23T08:02:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 24-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)C[NH+](Cc1[nH]c(=O)c2c(csc2n1)c3ccccc3F)C[C@@H](COc4ccc(cc4)OC)O C35747375 RHF 6-31G(d) (6D,7F) CC(C)C[NH+](Cc1[nH]c(=O)c2c(csc2n1)c3ccccc3F)C[C@@H](COc4ccc(cc4)OC)O C01[X(C27H31F1N3O4S1)] 195 C1 606 COc1ccc(cc1)OC[C@H](C[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccccc1F)CC(C)C)O COc1ccc(cc1)OC[C@H](C[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccccc1F)CC(C)C)O COc1ccc(OC[C@@H](O)C[NH+](CC(C)C)CC2=Nc3scc(c4ccccc4F)c3C(=O)N2)cc1 InChIKey=NQZLXOWFVHEZKP-SFHVURJKSA-O InChI=1S/C27H30FN3O4S/c1-17(2)12-31(13-18(32)15-35-20-10-8-19(34-3)9-11-20)14-24-29-26(33)25-22(16-36-27(25)30-24)21-6-4-5-7-23(21)28/h4-11,16-18,32H,12-15H2,1-3H3,(H,29,30,33)/p+1/t18-/m0/s1 InChI=1/C27H30FN3O4S/c1-17(2)12-31(13-18(32)15-35-20-10-8-19(34-3)9-11-20)14-24-29-26(33)25-22(16-36-27(25)30-24)21-6-4-5-7-23(21)28/h4-11,16-18,32H,12-15H2,1-3H3,(H,29,30,33)/p+1/t18-/m0/s1/fC27H31FN3O4S/h29,31H/q+1 CC(C)C[NH+](Cc1[nH]c(=O)c2c(csc2n1)c3ccccc3F)C[C@@H](COc4ccc(cc4)OC)O C01[X(C27H31F1N3O4S1)] 195 C01 606 COc1ccc(cc1)OC[C@H](C[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccccc1F)CC(C)C)O COc1ccc(cc1)OC[C@H](C[NH](CC1=N[C@H]2SC=C([C@H]2C(=O)N1)c1ccccc1F)CC(C)C)O COc1ccc(OC[C@@H](O)C[NH](CC(C)C)CC2=N[C@H]3SC=C([C@H]3C(=O)N2)c4ccccc4F)cc1 InChIKey=AUVRJOBNCBTBFZ-STNVRERYSA-N InChI=1S/C27H33FN3O4S/c1-17(2)12-31(13-18(32)15-35-20-10-8-19(34-3)9-11-20)14-24-29-26(33)25-22(16-36-27(25)30-24)21-6-4-5-7-23(21)28/h4-11,16-18,25,27,31-32H,12-15H2,1-3H3,(H,29,30,33)/t18-,25-,27-/m0/s1 InChI=1/C27H33FN3O4S/c1-17(2)12-31(13-18(32)15-35-20-10-8-19(34-3)9-11-20)14-24-29-26(33)25-22(16-36-27(25)30-24)21-6-4-5-7-23(21)28/h4-11,16-18,25,27,31-32H,12-15H2,1-3H3,(H,29,30,33)/t18-,25-,27-/m0/s1/f/h29H 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4618.59 4619.00 4625.33 4677.36 4706.06 4707.78 4710.23 4718.35 4726.79 4740.82 4751.10 4751.66 4805.95 4839.24 4851.80 4863.09 4867.68 4870.21 4875.04 4875.17 4887.46 4899.63 4903.06 4910.26 4959.29 5167.47 5506.20 5835.05 0.593465 0.625520 0.626464 0.524028 -1999.429888 -1999.397834 -1999.396890 -1999.499325 3.435687D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE CC(C)C[NH+](Cc1[nH]c(=O)c2c(csc2n1)c3ccccc3F)C[C@@H](COc4ccc(cc4)OC)O C35747375 RHF 6-31G(d) (6D,10F) C1 512.201932 |X|Y|Z| 175.920658 62.273769 38.522886 75.009039 27 6 7 8 16 22 3 1 1 |36.858105| |12.396490|36.858105| |7.563985|12.431923|36.858105| |7.762113|12.413850|7.344548|36.858105| |4.884117|7.229219|5.952774|12.430246|53.358707| |4.274400|5.616010|4.595531|9.434167|25.560009|0.500000| |4.249300|6.207248|5.287477|7.536683|17.403524|0.266561|36.858105| |3.783513|4.904353|3.965958|5.971335|10.576302|0.225350|12.586204|36.858105| |3.320598|4.108259|3.452485|4.448099|7.043967|0.143418|7.791813|14.158452|53.358707| 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|3.055337|3.479842|2.859056|4.242929|6.446469|0.156628|5.228561|8.506832|9.871617|0.145929|7.860418|9.521976|13.976672|8.137335|7.775211|78.830147|36.858105| |3.607768|4.384917|3.514697|5.806835|9.779142|0.256826|7.965827|14.984609|11.199050|0.164914|6.646403|8.372548|7.812238|5.193897|5.007904|49.967188|13.837498|53.358707| |2.080716|2.227353|1.948797|2.400107|3.421163|0.074718|2.808574|3.603225|5.623584|0.100703|5.884902|10.616919|7.286509|12.824102|7.644561|33.677103|5.062369|5.162902|36.858105| |1.971406|2.059088|1.803833|2.185610|3.030625|0.065592|2.432964|3.007262|4.579912|0.084426|4.432752|8.203189|5.148937|7.590833|6.044965|28.372249|4.008721|4.300457|13.705340|36.858105| |1.756995|1.827004|1.628170|1.908655|2.645816|0.056564|2.122876|2.539474|3.878092|0.073810|3.604157|6.977620|3.878464|5.035642|4.267599|22.109641|3.145742|3.549256|7.888063|13.754721|36.858105| |1.655258|1.741724|1.573804|1.812057|2.550983|0.054230|2.071463|2.452304|3.797809|0.073470|3.511235|7.034381|3.615868|4.457776|3.716920|20.018045|2.924202|3.364748|6.831777|7.950444|13.755811|36.858105| |1.715428|1.836821|1.664764|1.925067|2.765774|0.058937|2.284526|2.738666|4.323055|0.083313|4.103691|8.372459|4.153978|5.044134|4.000175|21.583733|3.256991|3.723548|7.866464|6.873220|7.928017|13.747375|36.858105| |1.912847|2.071740|1.852280|2.208471|3.209931|0.069267|2.680055|3.347449|5.353967|0.099324|5.463308|10.756061|5.841008|7.628859|5.356211|27.278837|4.240403|4.613376|13.757475|8.028372|6.942530|8.022455|13.857102|36.858105| |1.944683|2.150095|1.940348|2.313843|3.468343|0.075023|2.955066|3.711319|5.994607|0.110776|6.014110|11.389345|6.158028|6.843619|5.001039|27.757430|4.534382|5.034443|8.163788|5.312989|4.675419|5.312222|8.179828|14.316103|97.533100| |4.033091|5.511491|5.637848|7.351891|17.204856|0.259504|7.661764|5.137071|5.322852|0.104258|3.108165|4.763582|3.049952|2.520641|2.492901|21.663057|3.608369|6.617229|2.152175|1.923105|1.710459|1.668298|1.808292|2.061988|5.045646|36.858105| |3.723531|4.540760|4.600072|6.071242|10.213033|0.198753|4.953993|3.936129|4.241303|0.082084|2.623609|4.069436|2.670505|2.289258|2.331183|20.521549|3.182413|5.510797|1.961880|1.778333|1.586539|1.538112|1.649588|1.865977|4.508092|12.494200|36.858105| |3.548538|4.171455|3.937366|5.874847|9.723059|0.223183|4.746165|4.060174|4.304728|0.081230|2.713277|4.157635|2.850878|2.456936|2.554416|23.286574|3.503237|6.062725|2.073130|1.874420|1.658211|1.598139|1.713055|1.952225|4.707627|8.847109|17.483638|0.500000| |2.922287|3.429831|3.650194|4.121241|6.752574|0.134244|3.869966|3.186672|3.603415|0.070855|2.280399|3.607406|2.309127|2.022327|2.057929|17.606068|2.672799|4.407251|1.765582|1.604412|1.449157|1.418555|1.524088|1.705385|4.143265|7.616772|12.483717|0.248707|36.858105| |2.707224|3.013569|3.155612|3.563410|5.358179|0.109729|3.131085|2.706140|3.117455|0.061082|2.023491|3.226649|2.077988|1.858661|1.917758|16.357002|2.395604|3.827154|1.632232|1.500764|1.360109|1.325213|1.411116|1.568206|3.766468|5.189617|8.240108|0.205621|13.709025|73.516695| |2.285460|2.500154|2.643985|2.842771|4.227824|0.086516|2.610451|2.301746|2.721443|0.053747|1.793140|2.896482|1.835673|1.665841|1.716963|14.333413|2.076860|3.231617|1.482766|1.369857|1.252592|1.226555|1.303938|1.436067|3.446826|3.911615|5.246608|0.136074|7.960255|24.655676|36.858105| |2.120520|2.250441|2.348364|2.529121|3.624176|0.074814|2.261691|2.041559|2.440770|0.048123|1.631984|2.650882|1.682549|1.547823|1.607332|13.332921|1.894012|2.892050|1.385160|1.291593|1.184683|1.155886|1.219960|1.336319|3.178413|3.170082|4.117018|0.111889|5.246442|14.462081|13.674095|36.858105| |1.848422|1.948530|2.039568|2.145827|3.069167|0.063205|1.970761|1.798242|2.184762|0.043300|1.474618|2.417017|1.515445|1.407030|1.457756|11.894720|1.683394|2.531940|1.272124|1.190794|1.099919|1.077195|1.134962|1.234371|2.932231|2.631326|3.217539|0.087517|3.981586|9.380689|7.953691|13.896792|36.858105| |1.729760|1.844599|1.949783|2.010801|2.924249|0.059851|1.915107|1.741965|2.133931|0.042547|1.439720|2.371381|1.468549|1.362758|1.401953|11.325057|1.617194|2.427197|1.239139|1.156491|1.072781|1.057123|1.117924|1.212240|2.894686|2.526696|2.978280|0.079808|3.774834|8.154997|6.847275|7.918243|13.620437|36.858105| |1.815896|1.974483|2.108692|2.157898|3.214013|0.065348|2.112335|1.894675|2.313014|0.046264|1.546233|2.541399|1.566729|1.441017|1.472853|11.919422|1.726351|2.617180|1.307299|1.211504|1.122254|1.110130|1.181150|1.284880|3.091992|2.856045|3.332104|0.087349|4.487966|9.177370|7.934858|6.885723|7.957256|13.813888|36.858105| |2.078036|2.298581|2.464387|2.559009|3.887045|0.078788|2.492917|2.193299|2.631136|0.052438|1.735040|2.824019|1.757984|1.596936|1.631213|13.402059|1.961343|3.031094|1.433729|1.320538|1.214736|1.198784|1.280029|1.403718|3.391539|3.608916|4.397331|0.112252|6.687886|13.927695|13.869908|7.958287|6.892498|7.909490|13.630701|36.858105| |1.547214|1.635200|1.723025|1.761655|2.539923|0.051999|1.689908|1.553963|1.925672|0.038498|1.310480|2.173467|1.335453|1.249332|1.284361|10.253526|1.457132|2.161160|1.145007|1.073609|1.001344|0.988491|1.042329|1.123365|2.673886|2.147140|2.460982|0.066465|2.984343|6.167482|4.619959|5.304071|8.201775|14.167910|7.876180|5.185990|73.516695| |1.443120|1.533017|1.621680|1.637504|2.377677|0.048499|1.608195|1.480679|1.850944|0.037185|1.262144|2.104503|1.278892|1.198042|1.224880|9.685067|1.383886|2.043966|1.104627|1.034807|0.969366|0.961655|1.015982|1.090820|2.603463|2.003634|2.233673|0.060022|2.691789|5.297455|3.788476|3.986156|5.254537|8.016394|6.709409|4.497719|24.166650|36.858105| |4.338619|5.032644|5.281000|6.314709|8.388920|0.155228|4.254559|3.448924|3.832322|0.075138|2.399366|3.774448|2.425885|2.106035|2.142800|18.529111|2.836967|4.771206|1.826088|1.682048|1.507835|1.453212|1.540628|1.726181|4.104807|8.035451|13.663226|0.258438|7.948276|12.719204|4.829299|4.066657|3.173382|2.865400|3.098667|3.936411|4.251774|2.149982|73.516695| |17.588801|8.814509|6.924702|5.584720|5.454234|0.098036|3.712205|3.336503|4.162383|0.085482|2.652732|4.349802|2.524675|2.194072|2.127916|16.946071|2.716526|4.247765|1.967676|1.880903|1.695753|1.602935|1.652989|1.822845|4.149160|3.449369|3.166426|0.083166|2.590619|4.285178|2.079062|1.939839|1.714017|1.615981|1.693802|1.915850|2.590910|1.367671|6.460116|0.500000| |17.558341|8.713888|5.480048|7.159099|6.265743|0.117961|4.076129|3.890044|4.667389|0.091381|3.008419|4.782557|2.976961|2.570172|2.536511|20.851824|3.317048|5.212300|2.240117|2.138905|1.886852|1.755202|1.806526|2.024156|4.575431|3.668375|3.433875|0.094560|2.710423|4.511941|2.154115|2.016884|1.764733|1.647627|1.720069|1.956528|2.631369|1.380409|6.854630|0.302334|0.500000| |17.554849|8.751524|6.880787|6.946515|6.183925|0.112529|3.766541|3.333108|3.949380|0.078713|2.520380|4.046017|2.488947|2.172799|2.164891|17.892671|2.786713|4.450872|1.914088|1.818965|1.628807|1.537221|1.590701|1.765968|4.047450|3.997776|3.931186|0.103424|3.079103|5.197379|2.451098|2.295995|1.984142|1.834688|1.911259|2.191797|2.905767|1.511502|8.715141|0.301853|0.300927|0.500000| |8.975035|17.532325|8.879962|8.859751|8.839902|0.144696|6.737227|5.532721|6.615177|0.137827|3.779597|5.949940|3.417392|2.770618|2.604337|21.085415|3.716045|6.297508|2.417184|2.224677|1.969758|1.879716|1.988052|2.249538|5.243920|4.806743|3.850709|0.100490|3.033031|4.724322|2.250454|2.030496|1.782166|1.704218|1.827701|2.105263|2.707783|1.440222|7.145226|0.217205|0.213097|0.174159|0.500000| |5.476153|8.677741|17.538409|6.416185|8.527553|0.130573|6.051239|4.221276|5.031669|0.108446|2.919881|4.713564|2.666382|2.225772|2.122665|17.166044|2.901250|4.902660|1.980052|1.812589|1.640621|1.601462|1.710934|1.906427|4.553893|6.301956|4.675348|0.109036|3.825699|5.654991|2.685164|2.340105|2.043322|1.983008|2.179117|2.560194|3.110664|1.661286|8.782923|0.142737|0.122011|0.138870|0.213851|0.500000| |7.116031|8.850469|17.583231|5.434523|6.134873|0.102443|4.274878|3.415018|4.236299|0.090603|2.583103|4.255267|2.385793|2.041904|1.957747|15.587123|2.557474|4.132088|1.841349|1.722748|1.569026|1.517773|1.594722|1.755611|4.103403|4.286875|3.670649|0.089684|3.067444|4.849109|2.350773|2.123964|1.874162|1.798941|1.930055|2.213105|2.858814|1.521346|7.447750|0.214860|0.143302|0.177057|0.211228|0.304387|0.500000| |6.705232|8.756774|17.573576|6.773576|7.572290|0.123201|4.560739|3.512448|4.116417|0.084977|2.508117|4.039901|2.393780|2.049901|2.007098|16.496739|2.659775|4.416559|1.817653|1.688593|1.527436|1.475630|1.557081|1.727380|4.070686|5.848242|5.226182|0.119567|4.118306|6.416326|2.975761|2.636360|2.258045|2.136436|2.305027|2.722410|3.325125|1.743468|11.891782|0.165088|0.138150|0.198921|0.173223|0.300668|0.301764|0.500000| |7.162219|8.817744|6.595493|17.711331|12.398454|0.220746|5.602108|4.640872|4.909894|0.093783|3.005585|4.606324|3.054138|2.572743|2.602716|23.084458|3.678842|6.499179|2.177695|2.003934|1.762527|1.672750|1.766623|2.008470|4.718071|7.208120|7.230957|0.194644|4.609784|7.323496|3.183797|2.847360|2.367111|2.178898|2.319332|2.776979|3.362841|1.736501|15.389971|0.143585|0.180246|0.211617|0.173944|0.155393|0.138873|0.196622|0.500000| |7.111717|8.864607|5.437943|17.644531|12.487556|0.248670|6.814856|6.557900|6.567388|0.119232|3.948154|5.812554|4.059048|3.266381|3.257195|29.506192|5.071870|9.447631|2.674722|2.437143|2.092345|1.959268|2.072121|2.403989|5.597868|5.601201|4.911614|0.142784|3.537119|5.605838|2.570187|2.329171|1.996919|1.868829|1.986636|2.321098|2.936702|1.537868|8.773085|0.145031|0.217717|0.170229|0.218367|0.135767|0.123357|0.138646|0.301830|0.500000| |4.705294|7.351083|6.364241|7.206032|12.262832|0.185384|17.690684|8.802883|9.716777|0.212538|4.693178|7.102541|4.008680|3.077089|2.824281|23.006343|4.372030|8.074417|2.646745|2.333784|2.060906|2.013019|2.199810|2.537067|6.192077|6.355090|4.329755|0.111703|3.471037|5.092366|2.423390|2.120479|1.862847|1.814044|1.992036|2.325369|2.864289|1.538345|7.090233|0.117441|0.121348|0.111540|0.249229|0.212189|0.143865|0.139948|0.146852|0.175317|0.500000| |3.502908|4.809369|4.554291|5.560709|12.323784|0.211435|17.609142|8.983007|9.142521|0.184326|4.593545|6.818221|4.097575|3.147017|2.924567|24.299554|4.608661|8.758641|2.674212|2.300188|2.032450|2.015033|2.248591|2.622021|6.665422|7.651992|4.848271|0.126665|4.047440|5.657201|2.690370|2.294191|2.011608|1.983302|2.221371|2.631621|3.106357|1.676302|7.082253|0.087393|0.092652|0.089024|0.140637|0.151285|0.105007|0.113203|0.127348|0.139361|0.302955|0.500000| |2.093858|2.196557|1.904959|2.481668|3.502316|0.079903|2.670346|3.344314|4.559827|0.080102|4.045756|6.406185|5.711185|8.808399|17.792447|55.388273|5.455661|5.378833|6.742914|6.050327|4.389663|3.744232|3.882622|4.905770|9.935987|2.215753|2.109014|0.064117|1.888327|3.169125|1.612338|1.523607|1.391184|1.337368|1.396170|1.533221|2.190601|1.175948|3.475218|0.053738|0.063427|0.054832|0.063641|0.052872|0.049311|0.050583|0.064534|0.078256|0.067777|0.070071|0.500000| |2.056867|2.115410|1.833030|2.252765|3.064972|0.066590|2.415906|2.975003|4.407998|0.080765|4.121921|7.323419|4.926692|7.031133|6.301788|29.915187|4.044160|4.336899|8.941032|17.722729|8.921733|5.652217|4.952576|5.688835|9.615684|1.932206|1.803182|0.053054|1.614943|2.702633|1.383069|1.310066|1.204743|1.163533|1.213689|1.324021|1.918784|1.036029|3.056462|0.054335|0.062804|0.052754|0.063170|0.050634|0.048644|0.047793|0.057607|0.070663|0.064444|0.062616|0.180535|0.500000| |1.678885|1.723346|1.539683|1.788075|2.448704|0.052148|1.941128|2.282213|3.431999|0.065906|3.082920|5.897866|3.292514|4.103365|3.676176|19.834200|2.773112|3.192877|5.628343|8.924792|17.734992|8.908683|5.640775|4.989399|8.325013|1.591856|1.488313|0.043149|1.362009|2.287365|1.188382|1.129918|1.051616|1.023976|1.066756|1.150571|1.703928|0.927335|2.535338|0.045235|0.050189|0.043384|0.051375|0.042847|0.041445|0.040252|0.046172|0.054353|0.052692|0.051488|0.107154|0.215359|0.500000| |1.528487|1.600493|1.459869|1.652022|2.318051|0.048982|1.871969|2.171524|3.333227|0.065460|2.979656|5.956930|3.013525|3.562190|3.084079|17.293475|2.512636|2.960920|4.931532|5.650068|8.912749|17.729802|8.938176|5.688518|9.620194|1.532282|1.418716|0.040773|1.317413|2.195685|1.149407|1.086309|1.016844|0.999980|1.048311|1.126613|1.668564|0.915347|2.393203|0.041360|0.044807|0.039582|0.047814|0.041261|0.039320|0.038122|0.042596|0.049225|0.050866|0.050829|0.087055|0.124201|0.214504|0.500000| |1.617980|1.740863|1.598265|1.815699|2.630036|0.055701|2.179499|2.560835|4.033731|0.079253|3.690430|7.561090|3.615030|4.127142|3.391905|19.226869|2.921003|3.436204|5.634195|4.954890|5.624371|8.837408|17.746739|8.990451|16.789159|1.742795|1.587352|0.045537|1.480793|2.433129|1.271631|1.187866|1.109514|1.098406|1.163244|1.256539|1.824900|1.004886|2.629488|0.043460|0.046901|0.041817|0.052212|0.045919|0.042609|0.041588|0.046427|0.053647|0.058462|0.060443|0.091405|0.107565|0.123617|0.213077|0.500000| |3.347415|4.387540|4.474654|5.499387|12.492117|0.225330|7.434215|5.180124|5.449364|0.106757|3.188184|4.885668|3.118232|2.573033|2.530981|21.804639|3.657023|6.617378|2.200717|1.942406|1.731857|1.705746|1.869771|2.138919|5.330299|17.612491|8.903774|0.205763|7.332009|8.655729|3.844094|3.071604|2.593747|2.545310|2.933596|3.708890|3.852710|2.046835|10.312275|0.081837|0.086703|0.091074|0.113298|0.142955|0.100142|0.125032|0.145599|0.128374|0.162919|0.248360|0.062421|0.053644|0.044510|0.043492|0.050393|0.500000| |4.192213|5.899628|7.053904|6.675149|12.258385|0.181068|6.808752|4.506453|4.951415|0.100834|2.892348|4.536395|2.762089|2.303998|2.250714|18.945350|3.150299|5.549090|2.006180|1.808893|1.624997|1.590677|1.717231|1.935743|4.710816|17.698562|8.858092|0.174365|6.618205|8.374091|3.699971|3.021177|2.544573|2.467339|2.796155|3.489511|3.750159|1.981715|13.456090|0.102053|0.101626|0.115388|0.140901|0.241205|0.143153|0.206276|0.179845|0.138152|0.180473|0.190446|0.055982|0.050400|0.042187|0.040818|0.046184|0.300820|0.500000| |2.640561|3.103652|3.226419|3.735052|6.396727|0.132390|3.852987|3.245108|3.679841|0.071945|2.342530|3.696886|2.385023|2.091441|2.130747|18.232848|2.762225|4.521958|1.822674|1.642199|1.483037|1.459572|1.579659|1.773343|4.355581|6.826701|8.806372|0.217704|17.539066|16.515453|6.985073|4.744326|3.780271|3.714960|4.536937|6.664472|5.270565|2.721887|10.158624|0.065543|0.069215|0.075700|0.078522|0.095591|0.076402|0.097084|0.111208|0.091954|0.093713|0.116217|0.054286|0.045636|0.038547|0.037605|0.042780|0.215224|0.158173|0.500000| |2.873027|3.398578|3.826035|3.856125|6.198802|0.117234|3.726256|3.000668|3.467639|0.069537|2.182801|3.494869|2.166814|1.897429|1.906203|15.952556|2.455553|4.016988|1.676859|1.528375|1.390187|1.367103|1.468279|1.631555|3.963509|7.045214|8.832719|0.174383|17.528812|16.541219|7.065310|4.779863|3.809797|3.749077|4.589096|6.765348|5.311086|2.741957|12.557923|0.072019|0.072695|0.083863|0.083758|0.114241|0.089942|0.121415|0.117013|0.090716|0.096052|0.109895|0.048663|0.042588|0.036349|0.035406|0.039808|0.188639|0.198234|0.299222|0.500000| |2.225382|2.322185|2.387851|2.629843|3.675986|0.076415|2.263305|2.059837|2.452737|0.048118|1.645208|2.665251|1.707862|1.575106|1.646209|13.750265|1.933689|2.947283|1.404620|1.315236|1.202792|1.166971|1.226439|1.345141|3.180146|3.138182|4.151650|0.115975|4.861948|13.388797|8.925816|17.732023|8.943965|5.629628|4.959810|5.668267|7.607498|3.328240|7.606005|0.056176|0.059095|0.067758|0.057753|0.064988|0.059982|0.074857|0.083731|0.067687|0.058992|0.062757|0.043410|0.037261|0.031937|0.030429|0.033030|0.082633|0.082472|0.119614|0.120114|0.500000| |1.744566|1.813074|1.883930|1.983383|2.794024|0.057699|1.805200|1.665315|2.035930|0.040330|1.384686|2.277485|1.427152|1.334915|1.387360|11.258234|1.579116|2.352005|1.211600|1.140533|1.055978|1.032193|1.082751|1.173423|2.772540|2.341115|2.819951|0.077688|3.324413|7.572574|5.644166|8.937539|17.743355|8.938968|5.672563|4.964272|13.502552|4.873360|5.036531|0.045123|0.046518|0.052129|0.046195|0.052018|0.048505|0.057696|0.060705|0.051748|0.047625|0.050815|0.036976|0.032130|0.028138|0.027119|0.029379|0.063756|0.063021|0.087862|0.088409|0.214206|0.500000| |1.703399|1.858881|1.992559|2.009981|3.011154|0.060986|2.019809|1.815719|2.239113|0.045029|1.500314|2.479946|1.511148|1.392268|1.415296|11.336111|1.650022|2.487798|1.270912|1.176768|1.094721|1.088112|1.160076|1.257338|3.034577|2.655020|2.979224|0.077945|3.906211|7.436495|5.670709|4.962903|5.639312|8.896983|17.767173|8.949828|12.464594|7.411287|4.898975|0.044446|0.044845|0.049372|0.048267|0.057734|0.051005|0.059814|0.059162|0.051566|0.053135|0.059562|0.037304|0.032616|0.028889|0.028608|0.031872|0.076909|0.072871|0.112571|0.113746|0.107715|0.124270|0.500000| |2.128416|2.403039|2.601612|2.670129|4.176087|0.083771|2.713557|2.350119|2.817124|0.056423|1.839995|2.992414|1.847628|1.663952|1.685624|13.817897|2.055968|3.205435|1.493237|1.366442|1.256614|1.245469|1.337646|1.470216|3.579715|3.995604|4.644161|0.115306|7.382004|12.429606|8.894787|5.637250|4.964876|5.659042|8.954819|17.746765|7.460916|3.914300|7.070077|0.054577|0.055443|0.061623|0.061542|0.076700|0.064497|0.079021|0.079118|0.066776|0.070035|0.081306|0.043760|0.037878|0.032939|0.032476|0.036576|0.118225|0.108002|0.220982|0.224493|0.124126|0.107766|0.218985|0.500000| |1.429907|1.528549|1.608290|1.642477|2.411451|0.049447|1.639663|1.515248|1.894939|0.038007|1.294262|2.156459|1.313630|1.231538|1.259698|9.956044|1.421299|2.095121|1.135128|1.059812|0.992669|0.987189|1.046254|1.124359|2.694241|2.032126|2.250067|0.060873|2.726463|5.275051|3.737155|3.792853|4.760898|7.040991|6.709462|4.560301|16.437783|17.561179|3.778109|0.037567|0.038116|0.041367|0.040065|0.046019|0.041766|0.047717|0.048117|0.042978|0.043318|0.047789|0.033600|0.029400|0.026324|0.026088|0.028795|0.058410|0.055391|0.078472|0.076449|0.088123|0.120007|0.222571|0.113129|0.500000| |1.466811|1.563809|1.673043|1.656015|2.405582|0.048624|1.633053|1.491154|1.867939|0.037718|1.267840|2.118281|1.275873|1.190226|1.210236|9.547252|1.376528|2.041648|1.099116|1.029068|0.964951|0.958629|1.013571|1.087358|2.597651|2.041705|2.254206|0.059680|2.728534|5.274936|3.737191|3.792162|4.759571|7.040239|6.709762|4.560306|16.437615|17.561034|3.878411|0.038758|0.038750|0.042650|0.040804|0.047813|0.043716|0.050049|0.048660|0.042942|0.043640|0.047417|0.032182|0.028585|0.025633|0.025360|0.027880|0.057878|0.056784|0.075946|0.079127|0.088091|0.119954|0.222599|0.113115|0.298627|0.500000| |1.345510|1.418552|1.494378|1.507670|2.171339|0.044348|1.476108|1.369069|1.720842|0.034585|1.180153|1.974813|1.196889|1.127339|1.153544|9.067574|1.289673|1.891655|1.043852|0.981738|0.922405|0.914974|0.963783|1.030946|2.451835|1.804870|1.997437|0.054009|2.349809|4.603848|3.183825|3.416144|4.417337|5.886680|4.897607|3.608819|16.996679|17.659050|3.448009|0.035554|0.035867|0.039123|0.037135|0.042351|0.039179|0.044461|0.044313|0.039550|0.039359|0.042552|0.030882|0.027320|0.024570|0.024247|0.026491|0.051022|0.049637|0.065781|0.066206|0.082138|0.121483|0.145216|0.089064|0.299997|0.299998|0.500000| 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