Version2.1 2020-12-18T21:24:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](c1ccccc1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C#N)c4ccccc4 C39662453 RHF 6-31G(d) (6D,7F) CC[C@H](c1ccccc1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C#N)c4ccccc4 C01[X(C27H33N4O2)] 192 C1 561 N#C[C@@H](c1ccccc1)NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@@H](c1ccccc1)CC N#C[C@@H](c1ccccc1)NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@@H](c1ccccc1)CC CC[C@@H](C(=O)N1C[C@@H](C(=O)N[C@@H](C#N)c2ccccc2)C3(CC[NH2+]CC3)C1)c4ccccc4 InChIKey=YDIORPOYRPQFIY-SGNDLWITSA-O InChI=1S/C27H32N4O2/c1-2-22(20-9-5-3-6-10-20)26(33)31-18-23(27(19-31)13-15-29-16-14-27)25(32)30-24(17-28)21-11-7-4-8-12-21/h3-12,22-24,29H,2,13-16,18-19H2,1H3,(H,30,32)/p+1/t22-,23+,24+/m1/s1 InChI=1/C27H32N4O2/c1-2-22(20-9-5-3-6-10-20)26(33)31-18-23(27(19-31)13-15-29-16-14-27)25(32)30-24(17-28)21-11-7-4-8-12-21/h3-12,22-24,29H,2,13-16,18-19H2,1H3,(H,30,32)/p+1/t22-,23+,24+/m1/s1/fC27H33N4O2/h29-30H/q+1 CC[C@H](c1ccccc1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C#N)c4ccccc4 C01[X(C27H33N4O2)] 192 C01 561 N#C[C@@H](c1ccccc1)NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@@H](c1ccccc1)CC N#C[C@@H]([C]1[CH][CH][CH][CH][CH]1)NC(=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C@@H]([C]1[CH][CH][CH][CH][CH]1)CC CC[C@H]([C]1[CH][CH][CH][CH][CH]1)C(=O)N2C[C@@H](C(=O)N[C@@H](C#N)[C]3[CH][CH][CH][CH][CH]3)C4(CC[NH2]CC4)C2 InChIKey=JSKSQNOZXRNCQZ-SGNDLWITSA-N InChI=1S/C27H33N4O2/c1-2-22(20-9-5-3-6-10-20)26(33)31-18-23(27(19-31)13-15-29-16-14-27)25(32)30-24(17-28)21-11-7-4-8-12-21/h3-12,22-24H,2,13-16,18-19,29H2,1H3,(H,30,32)/t22-,23+,24+/m1/s1 InChI=1/C27H33N4O2/c1-2-22(20-9-5-3-6-10-20)26(33)31-18-23(27(19-31)13-15-29-16-14-27)25(32)30-24(17-28)21-11-7-4-8-12-21/h3-12,22-24H,2,13-16,18-19,29H2,1H3,(H,30,32)/t22-,23+,24+/m1/s1/f/h30H 3382.6700587275 -1409.0272704 1-A 18745.7644 119 442 561 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.65833 -20.60735 -15.84599 -15.71963 -15.70632 -15.68129 -11.47872 -11.44606 -11.44110 -11.43949 -11.42873 -11.41137 -11.39305 -11.38443 -11.37469 -11.37427 -11.37123 -11.36960 -11.35609 -11.34020 -11.33625 -11.33015 -11.32892 -11.32782 -11.31858 -11.31231 -11.29942 -11.29717 -11.29618 -11.29425 -11.29385 -11.28632 -11.27382 -1.52975 -1.48549 -1.47939 -1.38655 -1.36455 -1.35433 -1.26315 -1.25383 -1.22733 -1.20687 -1.18099 -1.16041 -1.15136 -1.11870 -1.10712 -1.08212 -1.08086 -1.07878 -1.04379 -1.03458 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0.639882 0.640827 0.549069 -1408.415794 -1408.387388 -1408.386444 -1408.478201 3.077545D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE CC[C@H](c1ccccc1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C#N)c4ccccc4 C39662453 RHF 6-31G(d) (6D,10F) C1 445.260352 |X|Y|Z| 65.605298 35.066817 114.943222 64.185886 27 6 7 24 3 |36.858105| |12.463880|36.858105| |7.419574|12.375760|36.858105| |6.972072|8.908434|17.557235|0.500000| |4.871086|7.500751|12.470959|0.248913|36.858105| |4.009320|5.478770|7.533378|0.205340|13.702218|36.858105| |3.159355|4.089828|4.998071|0.133660|7.887907|13.740529|36.858105| |2.904859|3.754168|4.409850|0.111141|6.820886|7.937133|13.762054|36.858105| |3.186114|4.249320|4.988716|0.116755|7.900733|6.897388|7.958749|13.743150|36.858105| |4.061751|5.874210|7.484641|0.155779|13.682689|7.960172|6.879339|7.922732|13.756090|36.858105| |6.131814|7.538180|12.486337|0.247799|7.634257|5.209935|3.967468|3.760092|4.426790|6.396499|36.858105| |5.783422|6.731462|7.951361|0.165549|5.890296|4.184559|3.411849|3.397825|4.141033|5.810458|15.836917|73.516695| |4.643512|5.111599|7.693755|0.204611|5.894442|4.660972|3.675490|3.430388|3.842179|5.008711|13.974887|15.249534|53.358707| |3.959233|4.325922|6.406604|0.203121|5.514517|4.999862|3.924363|3.472312|3.631575|4.427738|7.526013|9.414053|17.775251|36.858105| |3.087975|3.260514|4.304072|0.128022|3.979959|3.728287|3.197000|2.947394|3.066799|3.523269|5.187311|7.515930|11.063705|12.431642|36.858105| |2.804573|3.045634|3.991327|0.114100|3.954632|3.732875|3.323117|3.137455|3.266395|3.649855|4.743243|7.103600|9.251279|8.867932|17.535104|0.500000| |3.120229|3.169604|3.968159|0.112835|3.499005|3.129564|2.708165|2.578136|2.772368|3.227391|5.233138|8.212817|11.032691|7.790728|12.151038|0.245585|36.858105| |3.705221|3.880222|4.995968|0.131649|4.254530|3.530341|2.993818|2.909393|3.275869|4.016684|7.870119|12.690686|17.904792|7.860279|8.006205|0.195921|12.389436|36.858105| |2.525355|2.575826|3.084927|0.085964|2.864741|2.613395|2.358295|2.301078|2.466546|2.761391|3.868050|6.497115|6.992842|5.004567|7.423021|0.200946|12.353861|7.427293|36.858105| |2.368046|2.353740|2.697213|0.074388|2.470863|2.241432|2.035743|2.005489|2.164078|2.415065|3.355530|5.936455|5.609483|3.801567|4.827867|0.128098|7.388889|5.799131|12.499777|36.858105| |2.394492|2.304608|2.593679|0.073116|2.318946|2.125610|1.912386|1.854832|1.978243|2.216156|3.149833|5.506126|5.195052|3.608095|4.405360|0.109600|6.466668|4.940026|7.732341|12.706614|53.358707| |2.230551|2.130308|2.344745|0.065647|2.105584|1.932407|1.751946|1.709622|1.825210|2.031270|2.806846|5.009663|4.449250|3.059640|3.579770|0.091188|4.883095|4.099781|5.694309|9.183998|25.698320|0.500000| |2.245375|2.168820|2.450134|0.070106|2.215199|2.067749|1.869982|1.800515|1.894525|2.100190|2.895121|4.955915|4.791660|3.507037|4.403821|0.109203|5.944187|4.324252|7.174067|9.180775|25.492689|0.326253|0.500000| |2.886328|2.698496|3.038431|0.086589|2.601463|2.351650|2.065178|1.977977|2.118683|2.430356|3.766717|6.507771|6.292793|4.221779|4.825060|0.112689|7.397010|5.867064|6.496466|7.698671|17.256847|0.254691|0.254674|36.858105| |3.206241|3.060155|3.639288|0.107173|3.074359|2.794098|2.402587|2.255627|2.394338|2.779485|4.548225|7.270024|8.488336|6.124700|7.389974|0.152053|12.285986|7.526694|7.483714|6.481347|10.518706|0.158137|0.199505|12.513352|36.858105| |2.693187|2.764075|3.457410|0.106484|3.231548|3.200923|2.814577|2.554253|2.569183|2.851253|3.831206|5.754672|7.054614|7.441327|12.534785|0.246442|7.428536|5.063942|5.876231|4.203573|5.653737|0.094797|0.124480|4.406437|6.491408|36.858105| |2.781474|2.776779|3.398095|0.108367|3.085090|3.096075|2.686732|2.398388|2.392469|2.666565|3.630590|5.443928|6.391804|6.567679|7.987883|0.164264|5.920194|4.377966|4.637396|3.662119|5.260246|0.090057|0.116603|4.305876|6.291879|15.907334|73.516695| |2.268652|2.340365|2.840991|0.084972|2.754041|2.759906|2.528183|2.341671|2.337782|2.516109|3.118304|4.870655|5.416571|5.090637|7.769328|0.206758|5.727697|4.111147|5.617178|4.070325|5.317027|0.090768|0.121239|3.797664|4.946382|13.947393|15.155377|53.358707| |2.019255|2.042414|2.396101|0.071687|2.305546|2.323373|2.151492|2.000131|1.988286|2.120758|2.587145|4.133135|4.300766|3.814084|5.072334|0.132713|4.371055|3.281573|4.486009|3.628808|5.025655|0.088122|0.120134|3.495093|4.240277|7.802132|12.280876|17.839526|36.858105| |2.049994|2.056365|2.398480|0.072995|2.290331|2.337813|2.151016|1.971449|1.942219|2.075691|2.534334|4.016446|4.158371|3.746553|4.658339|0.117709|3.961666|3.065145|3.823517|3.190628|4.555450|0.080984|0.107289|3.309058|4.044998|7.333624|13.853685|12.586207|17.660786|0.500000| |2.009473|1.994847|2.303395|0.068156|2.168065|2.132666|1.960526|1.845085|1.867264|2.013393|2.548307|4.152933|4.232051|3.547997|4.696235|0.119225|4.648369|3.381214|5.057461|4.350463|6.427883|0.111050|0.168073|4.211562|4.847762|6.374105|10.538908|10.989877|12.702103|0.253693|36.858105| |2.000198|1.961024|2.234393|0.065456|2.076537|2.011559|1.843615|1.749995|1.791603|1.943821|2.509898|4.162842|4.133781|3.313296|4.273498|0.107769|4.664919|3.407202|5.285946|4.996393|8.026093|0.138395|0.235090|4.879938|5.158034|5.215925|8.831222|7.953731|7.249015|0.168642|16.766234|53.358707| |1.764148|1.801383|2.084751|0.061470|2.055379|2.091834|1.988376|1.870916|1.844473|1.925533|2.222736|3.606889|3.579823|3.078067|3.883971|0.108943|3.418429|2.733532|3.668587|3.082836|4.137444|0.075088|0.096586|2.812326|3.229143|5.111375|8.123621|10.526888|12.553066|0.246552|7.558574|7.289993|36.858105| |1.686719|1.734224|1.999038|0.059231|2.001046|2.080601|2.004780|1.871672|1.813040|1.868010|2.079389|3.360280|3.283956|2.848883|3.408069|0.096452|2.919741|2.433006|3.013953|2.563201|3.437446|0.063282|0.078052|2.406217|2.763505|4.370031|7.237328|8.067582|7.640992|0.199804|5.066454|5.347805|13.699053|36.858105| |1.515144|1.563079|1.779590|0.052140|1.801408|1.875532|1.838423|1.737200|1.677830|1.705481|1.842278|3.014174|2.852925|2.411168|2.808855|0.080937|2.471562|2.122003|2.590851|2.259662|3.000395|0.056188|0.067251|2.084041|2.330812|3.369120|5.601265|5.836736|5.046690|0.132095|3.889247|4.383900|7.925755|13.782972|36.858105| |1.428206|1.470556|1.662776|0.048170|1.680601|1.726345|1.696448|1.626709|1.588283|1.612356|1.741631|2.885971|2.686472|2.216532|2.600011|0.075603|2.365184|2.038797|2.561495|2.277059|2.994279|0.056614|0.067180|2.032936|2.221713|3.014775|4.949830|5.191170|4.438059|0.110980|3.726645|4.340549|6.862215|7.939986|13.727260|36.858105| |1.473694|1.510253|1.710421|0.049332|1.711799|1.732266|1.686124|1.625862|1.608832|1.648333|1.822360|3.036151|2.839689|2.318178|2.791765|0.081130|2.605763|2.204550|2.925279|2.615654|3.420225|0.064539|0.077858|2.258714|2.441032|3.226236|5.204271|5.696301|4.996356|0.117305|4.442372|5.197537|7.926270|6.877091|7.940510|13.771841|36.858105| |1.630800|1.663625|1.903384|0.055234|1.881133|1.890658|1.812295|1.735077|1.727514|1.794435|2.052064|3.392714|3.266077|2.700833|3.380976|0.096874|3.151698|2.561830|3.585602|3.126339|4.119803|0.076085|0.096330|2.689537|2.955499|4.075453|6.441890|7.720593|7.484143|0.157469|6.533570|7.090954|13.737361|7.934509|6.873518|7.936202|13.732925|36.858105| |17.566188|8.762267|6.651436|0.169723|4.425286|3.588122|2.887383|2.710985|3.021217|3.852581|6.733386|12.191804|6.940047|4.083869|3.252455|0.081273|3.442859|4.205811|2.759277|2.628857|3.637602|0.069217|0.068469|3.300544|3.595954|2.791231|5.086666|3.191297|2.085320|0.058335|2.110216|2.894170|1.809810|1.709203|1.531880|1.452969|1.512577|1.683317|0.500000| |17.521142|8.760474|6.756048|0.208079|4.550067|3.993103|3.118424|2.784206|2.952891|3.660010|5.455548|8.548228|6.156004|4.119813|3.178815|0.078730|3.143282|3.567257|2.517901|2.341946|3.278804|0.062010|0.063564|2.927114|3.321973|2.848057|5.374415|3.223442|2.120233|0.060603|2.099224|2.827696|1.836331|1.762361|1.572643|1.471270|1.512885|1.680183|0.300361|0.500000| |17.565077|8.817074|5.441951|0.142250|4.062212|3.465930|2.844625|2.656305|2.896988|3.560321|4.660761|8.276757|5.031481|3.232316|2.627228|0.067285|2.667863|3.106084|2.226746|2.122267|2.928640|0.056444|0.056190|2.549131|2.751493|2.338101|4.293798|2.736238|1.815116|0.051226|1.811789|2.463600|1.604873|1.541477|1.396540|1.321282|1.360031|1.493393|0.302494|0.302189|0.500000| |8.845173|17.599667|8.853802|0.174685|6.772200|4.817416|3.845810|3.751980|4.486106|6.295247|6.975807|13.027964|6.362742|3.823861|3.013517|0.079937|3.000908|3.761624|2.500883|2.315808|3.042540|0.057876|0.057950|2.579331|2.848586|2.535070|4.451001|2.978482|1.914811|0.053020|1.882864|2.535263|1.706660|1.638400|1.488655|1.412187|1.454629|1.594046|0.211346|0.172742|0.212059|0.500000| |8.863474|17.555984|8.938343|0.213118|7.146047|5.881492|4.413304|3.932780|4.253800|5.514342|5.536091|8.793037|5.695386|3.816617|2.933564|0.076996|2.780498|3.266088|2.306495|2.105110|2.813493|0.053311|0.054684|2.380112|2.692470|2.560133|4.608350|2.987099|1.931742|0.054414|1.866408|2.479847|1.720741|1.677038|1.519385|1.423322|1.449258|1.584737|0.172980|0.210282|0.214342|0.303494|0.500000| |4.096844|5.257628|7.009037|0.227544|8.903147|17.691556|8.934491|5.650731|4.962740|5.649527|4.824037|6.801151|6.129137|5.145663|3.769146|0.101397|3.113865|3.389176|2.569336|2.205572|2.900603|0.053712|0.058088|2.379828|2.862841|3.361915|5.967463|3.879566|2.418960|0.068813|2.203717|2.812269|2.156082|2.159328|1.929292|1.756951|1.754738|1.923185|0.100197|0.119560|0.097773|0.121837|0.160369|0.500000| |2.809571|3.472107|4.085378|0.114495|5.627797|8.922544|17.716911|8.912419|5.651414|4.955304|3.332978|5.151829|4.333937|3.498761|2.936613|0.084510|2.473770|2.651730|2.181279|1.890230|2.437055|0.045692|0.049076|1.920644|2.227378|2.683349|4.604874|3.327411|2.108011|0.059044|1.900587|2.417086|1.968964|2.017514|1.860585|1.703270|1.673513|1.785455|0.071363|0.078604|0.071244|0.089983|0.105223|0.216125|0.500000| |2.505297|3.118207|3.531217|0.090996|4.925221|5.643278|8.910942|17.721592|8.904193|5.638522|3.118647|5.125309|3.960551|2.965319|2.611151|0.077754|2.303518|2.549420|2.102530|1.847903|2.325656|0.043999|0.046274|1.799995|2.028536|2.312567|3.862099|2.946331|1.871873|0.051180|1.723767|2.223951|1.778378|1.793547|1.685556|1.583547|1.572819|1.659939|0.065434|0.067076|0.064696|0.087234|0.090882|0.124237|0.214576|0.500000| |2.842030|3.647006|4.074291|0.096530|5.633568|4.964653|5.653888|8.913056|17.717055|8.935630|3.839680|6.718221|4.601191|3.144440|2.761688|0.082374|2.561860|3.021376|2.339226|2.082816|2.571512|0.048795|0.050103|1.998461|2.215167|2.331755|3.847278|2.938230|1.854313|0.050005|1.755901|2.307128|1.738187|1.704124|1.592054|1.521776|1.545455|1.647934|0.076132|0.072673|0.073136|0.110273|0.100271|0.107690|0.124160|0.214673|0.500000| |4.195805|5.923171|6.940793|0.140768|8.900229|5.652578|4.955936|5.644616|8.933770|17.724894|6.929620|12.795922|6.961875|4.179004|3.418629|0.097763|3.295309|4.287781|2.839530|2.530610|3.135888|0.058970|0.059818|2.532984|2.836889|2.736433|4.540808|3.297662|2.055427|0.055530|1.986494|2.643185|1.862906|1.786998|1.634465|1.559754|1.608838|1.754457|0.114798|0.101223|0.102766|0.195361|0.144083|0.124073|0.107574|0.124170|0.216144|0.500000| |3.749210|4.348033|6.663305|0.209037|6.649860|6.441468|4.921805|4.186059|4.244017|5.100445|6.762893|8.613163|12.265773|17.625014|8.782142|0.225590|5.692490|5.984478|4.198119|3.256735|4.144365|0.073347|0.082928|3.420484|4.568769|6.208450|9.742385|6.361941|3.526077|0.096608|3.168089|3.972861|2.961458|2.825282|2.419889|2.206575|2.268615|2.593908|0.103266|0.107510|0.086336|0.106932|0.110490|0.181183|0.119804|0.097096|0.098738|0.125558|0.500000| |4.201096|4.345530|6.090354|0.218209|4.927926|4.678628|3.636424|3.141172|3.212562|3.861358|6.405733|8.300509|12.270694|17.612575|8.806875|0.175695|6.442236|6.088026|4.320394|3.464267|4.731486|0.082618|0.095295|4.203327|6.172434|7.242648|13.606527|6.544807|3.802818|0.108419|3.551153|4.511770|3.015665|2.818216|2.367643|2.154903|2.238248|2.608798|0.118564|0.128500|0.094479|0.102916|0.108123|0.143567|0.092470|0.075316|0.077586|0.101132|0.301374|0.500000| |3.877288|3.878232|4.637775|0.120288|3.818427|3.150167|2.688456|2.634707|2.988733|3.663668|7.261693|13.684233|12.452426|5.817061|5.694700|0.140739|8.625764|17.627040|6.203236|5.780546|7.020325|0.122701|0.119502|6.524723|7.140070|4.139193|6.714936|4.711020|2.905553|0.076251|3.079100|4.347266|2.449411|2.186369|1.927505|1.866255|2.020575|2.326850|0.128419|0.101518|0.090990|0.106523|0.089250|0.084402|0.066496|0.064651|0.077771|0.112117|0.129321|0.140058|0.500000| |3.290789|3.574876|4.533636|0.115405|4.190336|3.465355|3.035906|3.049739|3.509879|4.222832|6.745592|11.778561|12.345348|6.343017|6.775933|0.196148|8.742118|17.518246|7.170373|5.576035|5.961838|0.103944|0.107614|4.711152|5.506967|4.456039|6.691354|5.263115|3.082239|0.078761|3.131533|4.267152|2.655770|2.375261|2.102404|2.040425|2.208596|2.533703|0.101412|0.086628|0.078466|0.099526|0.085034|0.089670|0.074160|0.074643|0.091732|0.127661|0.151784|0.135490|0.303425|0.500000| |2.436950|2.548256|3.065553|0.083547|2.943527|2.670569|2.449823|2.437274|2.639317|2.919736|3.844910|6.558717|6.744260|4.725449|6.643475|0.209809|8.785672|7.077151|17.568593|8.976143|7.647298|0.127131|0.144869|4.905991|5.478073|5.053565|7.074244|6.842778|3.967079|0.094242|4.201191|5.775865|3.437977|2.892260|2.539974|2.533234|2.873440|3.420608|0.073334|0.066600|0.059988|0.069738|0.063594|0.071496|0.062538|0.062071|0.070270|0.083800|0.115980|0.109501|0.160104|0.226769|0.500000| |2.303934|2.343795|2.787138|0.079195|2.626973|2.466241|2.250876|2.176625|2.284218|2.508957|3.333685|5.516852|5.876427|4.564173|7.001253|0.191506|8.788326|5.484693|17.615422|9.012416|9.489216|0.146292|0.211220|5.604082|6.550572|6.608771|8.967280|9.743283|5.745833|0.127483|6.760665|9.344635|4.562057|3.549286|2.986338|2.964173|3.477938|4.482549|0.068816|0.064710|0.056863|0.062695|0.059268|0.068201|0.058715|0.055765|0.060090|0.070391|0.109206|0.113270|0.130375|0.146707|0.304251|0.500000| |2.481784|2.464571|2.789173|0.075321|2.535913|2.255455|2.044161|2.035738|2.234088|2.517450|3.555875|6.553702|5.753776|3.665450|4.351022|0.116558|6.558208|6.179470|8.717580|17.618438|12.437541|0.221769|0.180443|7.144708|5.762459|3.649236|5.768307|4.691160|3.060141|0.076609|3.518903|5.347354|2.650774|2.267480|2.025400|2.035809|2.297605|2.673448|0.077686|0.067002|0.061923|0.068378|0.060572|0.061016|0.052270|0.051954|0.060168|0.074799|0.087832|0.092205|0.187601|0.169822|0.213378|0.174161|0.500000| |2.090363|2.088702|2.364838|0.065191|2.212419|2.034155|1.878299|1.862934|1.996382|2.185687|2.856151|5.075418|4.626589|3.221096|4.039676|0.111472|5.427417|4.474381|8.795939|17.629396|12.357965|0.224507|0.220506|5.613916|4.864398|3.690043|5.740495|5.143105|3.492137|0.084170|4.223520|6.675249|3.090258|2.549308|2.283500|2.351475|2.752737|3.264020|0.063651|0.057455|0.052688|0.057380|0.052550|0.055519|0.048820|0.048210|0.053871|0.063329|0.079150|0.082187|0.122687|0.125287|0.211869|0.220569|0.301102|0.500000| |3.072465|2.852657|3.156012|0.087537|2.671801|2.363228|2.072299|2.007139|2.184893|2.533144|4.035800|7.315040|6.466563|4.022219|4.346873|0.104858|6.559546|6.253772|5.779371|7.148767|12.438120|0.221820|0.180445|17.626836|8.691123|3.774262|6.490444|4.465074|2.980832|0.078631|3.446563|5.272646|2.477631|2.159592|1.899492|1.860460|2.050835|2.392168|0.100342|0.084388|0.075527|0.077014|0.068845|0.065605|0.053060|0.050600|0.057600|0.074842|0.091795|0.109025|0.221569|0.140107|0.130626|0.131856|0.220563|0.146137|0.500000| |2.767884|2.528253|2.776378|0.080188|2.374394|2.176598|1.917027|1.825429|1.936349|2.204054|3.301875|5.697699|5.289900|3.667159|4.035065|0.095075|5.430646|4.524922|4.871736|5.618098|12.355958|0.224490|0.220455|17.632114|8.819678|3.925658|7.191118|4.662139|3.296679|0.089065|4.015362|6.430418|2.667372|2.303057|2.000410|1.947077|2.151015|2.543893|0.087315|0.079185|0.068799|0.066700|0.062648|0.061878|0.049963|0.046368|0.050748|0.063387|0.084371|0.105609|0.138156|0.104262|0.107793|0.125696|0.146140|0.126649|0.301218|0.500000| |2.875509|2.749479|3.239356|0.097640|2.807998|2.637161|2.293536|2.132311|2.218535|2.523607|3.804297|6.034278|6.808347|5.493898|6.937108|0.143608|8.709108|5.520414|6.505356|5.574919|9.453762|0.146028|0.210503|9.004138|17.650375|7.623227|14.294074|7.832925|5.176823|0.139704|6.193171|8.878658|3.704092|3.109618|2.562032|2.417299|2.664632|3.301817|0.087091|0.084431|0.069499|0.070606|0.068802|0.076268|0.060010|0.053724|0.056982|0.070319|0.118585|0.162176|0.142036|0.122653|0.134581|0.183289|0.131301|0.125153|0.173861|0.221270|0.500000| |3.834087|3.538721|4.208541|0.127149|3.367141|3.026398|2.537111|2.350294|2.498192|2.959113|5.245095|8.121721|9.597582|6.688872|6.614190|0.136442|8.769112|7.246193|5.485879|4.900006|7.646078|0.127117|0.145002|8.986818|17.595705|5.742122|10.740198|5.803487|3.687206|0.101655|3.999279|5.622195|2.874673|2.542410|2.160968|2.039675|2.198138|2.605585|0.121334|0.112604|0.089141|0.089308|0.085165|0.087322|0.065005|0.058138|0.063494|0.083746|0.134934|0.205452|0.200198|0.143205|0.123557|0.135380|0.130365|0.107702|0.212742|0.212296|0.306311|0.500000| |2.179890|2.279432|2.768284|0.080892|2.741538|2.725705|2.539710|2.397194|2.407922|2.563378|3.077070|4.873069|5.307057|4.780240|7.359569|0.231049|5.630040|4.161288|6.086527|4.248026|5.214722|0.089604|0.116477|3.598450|4.499292|9.276744|10.857689|26.040447|9.077303|0.181165|6.690060|7.132134|7.272995|5.593922|4.300074|3.973879|4.456026|5.961280|0.062717|0.062290|0.053871|0.059989|0.059287|0.076512|0.067840|0.061899|0.062312|0.068830|0.125501|0.119152|0.096261|0.113802|0.161903|0.220571|0.099746|0.112030|0.088399|0.088575|0.136306|0.107220|0.500000| |1.765673|1.816863|2.102426|0.063105|2.104703|2.220418|2.130258|1.957613|1.876847|1.937085|2.153076|3.440264|3.394061|3.010859|3.509156|0.097524|2.921203|2.453087|2.899205|2.453764|3.323723|0.061039|0.074797|2.389058|2.793553|4.619262|7.956273|8.019671|7.131396|0.216312|4.669546|4.977712|8.895970|17.708481|8.933513|5.647319|4.953432|5.642186|0.049330|0.051680|0.044714|0.047274|0.049080|0.064907|0.060056|0.051929|0.048572|0.051030|0.083759|0.084216|0.061071|0.065836|0.076907|0.092798|0.060904|0.066611|0.059643|0.063836|0.087673|0.072712|0.145848|0.500000| |1.458574|1.508784|1.708545|0.050118|1.742058|1.833465|1.813628|1.708551|1.633956|1.648061|1.745519|2.855114|2.669712|2.253432|2.553516|0.073455|2.238727|1.959221|2.306417|2.026502|2.697493|0.050815|0.059790|1.899221|2.120549|3.011410|5.098472|4.977060|4.120202|0.112827|3.261919|3.763463|5.643252|8.939835|17.731726|8.903509|5.647123|4.953406|0.040697|0.042113|0.037489|0.039885|0.041040|0.052551|0.051518|0.046343|0.043053|0.043649|0.063599|0.061815|0.049627|0.053960|0.063163|0.072277|0.051105|0.056566|0.048487|0.050871|0.064208|0.055403|0.101062|0.215857|0.500000| |1.327836|1.368852|1.535418|0.044269|1.559724|1.604296|1.589768|1.533499|1.494497|1.506229|1.600285|2.668371|2.438253|1.988218|2.288067|0.066670|2.102069|1.846119|2.269640|2.048670|2.689291|0.051372|0.059693|1.831495|1.979002|2.588532|4.288998|4.297182|3.549609|0.090908|3.093630|3.714386|4.947368|5.648993|8.909604|17.729657|8.924506|5.645636|0.037443|0.037889|0.034302|0.036657|0.036938|0.045203|0.044487|0.041762|0.039989|0.040508|0.055306|0.053696|0.047275|0.051597|0.062918|0.071548|0.051486|0.058983|0.047011|0.048885|0.059144|0.050884|0.091590|0.124230|0.214695|0.500000| 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