Version2.3 2021-04-01T01:39:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)c1c(c2c(=O)[nH]c(nc2s1)[C@H](C)[NH+]3CCN(CC3)CC(=O)NC(C)(C)C)C C21793124 RHF 6-31G(d) (6D,7F) CCOC(=O)c1c(c2c(=O)[nH]c(nc2s1)[C@H](C)[NH+]3CCN(CC3)CC(=O)NC(C)(C)C)C C01[X(C22H34N5O4S1)] 192 C1 552 CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)[C@@H]([NH+]1CCN(CC1)CC(=O)NC(C)(C)C)C CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)[C@@H]([NH+]1CCN(CC1)CC(=O)NC(C)(C)C)C CCOC(=O)c1sc2N=C(NC(=O)c2c1C)[C@H](C)[NH+]3CCN(CC3)CC(=O)NC(C)(C)C InChIKey=ORAVJHDKKUZCFP-AWEZNQCLSA-O InChI=1S/C22H33N5O4S/c1-7-31-21(30)17-13(2)16-19(29)23-18(24-20(16)32-17)14(3)27-10-8-26(9-11-27)12-15(28)25-22(4,5)6/h14H,7-12H2,1-6H3,(H,25,28)(H,23,24,29)/p+1/t14-/m0/s1 InChI=1/C22H33N5O4S/c1-7-31-21(30)17-13(2)16-19(29)23-18(24-20(16)32-17)14(3)27-10-8-26(9-11-27)12-15(28)25-22(4,5)6/h14H,7-12H2,1-6H3,(H,25,28)(H,23,24,29)/p+1/t14-/m0/s1/fC22H34N5O4S/h23,25,27H/q+1 CCOC(=O)c1c(c2c(=O)[nH]c(nc2s1)[C@H](C)[NH+]3CCN(CC3)CC(=O)NC(C)(C)C)C C01[X(C22H34N5O4S1)] 192 C01 552 CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)[C@@H]([NH+]1CCN(CC1)CC(=O)NC(C)(C)C)C CCOC(=O)C1=[C]([C]2[C](S1)[N][C](NC2=O)[C@@H]([NH]1CCN(CC1)C[C]([NH]C(C)(C)C)=O)C)C CCOC(=O)C1=C(C)[C]2[C]([N][C](NC2=O)[C@H](C)[NH]3CCN(CC3)CC(=O)NC(C)(C)C)S1 InChIKey=CWXTXYIHCWESOU-AWEZNQCLSA-N InChI=1S/C22H34N5O4S/c1-7-31-21(30)17-13(2)16-19(29)23-18(24-20(16)32-17)14(3)27-10-8-26(9-11-27)12-15(28)25-22(4,5)6/h14,27H,7-12H2,1-6H3,(H,25,28)(H,23,24,29)/t14-/m0/s1 InChI=1/C22H34N5O4S/c1-7-31-21(30)17-13(2)16-19(29)23-18(24-20(16)32-17)14(3)27-10-8-26(9-11-27)12-15(28)25-22(4,5)6/h14,27H,7-12H2,1-6H3,(H,25,28)(H,23,24,29)/t14-/m0/s1/f/h23,25H 3406.2971828475 -1821.9691918 1-A 28355.5563 124 428 552 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5540.58 5558.56 0.605486 0.637055 0.637999 0.538961 -1821.363706 -1821.332137 -1821.331192 -1821.430231 3.321784D-04 MUNgauss RevisionA2.1 retrievium 01-Apr-2021 DUDE CCOC(=O)c1c(c2c(=O)[nH]c(nc2s1)[C@H](C)[NH+]3CCN(CC3)CC(=O)NC(C)(C)C)C C21793124 RHF 6-31G(d) (6D,10F) C1 464.233152 |X|Y|Z| 153.339288 65.656599 23.060745 61.461297 16 6 7 16 11 4 1 |36.858105| |12.593821|36.858105| |8.021486|13.286642|73.516695| |5.270806|8.084894|25.674428|36.858105| |4.600144|7.139300|15.279487|16.039741|73.516695| |4.087748|5.208008|14.654755|12.832460|14.271892|36.858105| |3.182080|3.899614|9.363982|7.456127|11.279855|14.051114|36.858105| |2.785244|3.203773|7.424441|5.081621|7.714598|8.289031|13.187276|36.858105| |2.297566|2.586755|5.646041|3.729630|6.047533|5.139429|7.309073|13.106059|36.858105| |2.104227|2.383729|5.054338|3.368398|5.716351|4.335502|6.132064|7.967683|16.022910|73.516695| |2.124992|2.317425|4.979077|3.121688|5.012448|4.115618|5.051024|8.030011|13.478864|15.085153|53.358707| |1.914074|2.075780|4.360532|2.715887|4.457079|3.428801|4.144842|5.833752|9.370413|14.134284|25.976599|0.500000| |2.232871|2.381379|5.157372|3.114720|4.865609|4.101431|4.589109|6.990730|7.798592|9.698456|19.271229|0.257782|36.858105| |2.595011|2.755077|6.164311|3.650936|5.477525|4.998576|5.189537|7.819305|6.659852|8.379195|11.213052|0.164936|14.945549|53.358707| |2.987849|3.306486|7.825663|4.886317|7.024464|7.753919|8.109777|13.954349|7.865002|9.518891|9.865336|0.145918|8.479002|18.853417|36.858105| |4.060281|4.516737|12.058512|6.838363|8.650937|10.867576|7.307982|7.430594|4.836058|6.835581|5.981009|0.099224|4.953919|9.597324|11.148172|388.023441| |1.962336|2.044614|4.289294|2.520776|4.008868|3.120151|3.357417|4.483593|5.002673|7.202062|10.527884|0.200969|12.490335|10.788339|5.206513|26.543622|36.858105| |1.886935|1.963268|4.084473|2.398556|3.842791|2.929596|3.151791|4.103799|4.604134|6.839332|9.150885|0.183871|9.042310|8.816022|4.626403|24.454223|17.581030|0.500000| |1.744821|1.821515|3.749391|2.216717|3.601484|2.673462|2.918969|3.737710|4.390896|6.802940|8.749952|0.197622|7.395317|7.123507|4.003295|21.539357|12.456199|0.247538|36.858105| |2.037750|2.073071|4.329965|2.463888|3.870994|2.986634|3.045158|3.857810|3.904246|5.729943|7.024890|0.130456|7.805449|9.949243|4.790311|26.894837|12.666937|0.255347|7.510357|53.358707| |2.264028|2.296235|4.874200|2.745641|4.235564|3.377038|3.359034|4.276099|4.082677|5.854251|7.049204|0.124363|8.151217|12.799227|5.715623|32.290493|9.503376|0.217362|5.728220|25.561429|0.500000| |1.842207|1.849002|3.774324|2.123753|3.382197|2.489141|2.515092|3.041513|3.096451|4.746839|5.288737|0.103343|5.104497|6.595836|3.602724|21.719273|7.585276|0.211040|5.788414|17.241703|0.257249|36.858105| |1.872976|1.839984|3.713532|2.041657|3.241594|2.338749|2.295030|2.679066|2.629358|4.075184|4.246133|0.081974|3.947729|5.540158|3.199202|20.688757|4.968298|0.134190|4.114473|10.486512|0.199203|12.550913|36.858105| |1.848884|1.810090|3.635035|1.992580|3.170880|2.266258|2.217054|2.563861|2.510100|3.913919|4.006146|0.077540|3.659776|5.153311|3.038900|19.916819|4.457343|0.112655|3.987924|9.113950|0.167426|7.873997|13.177468|53.358707| |2.054289|2.021605|4.125692|2.261267|3.554849|2.612609|2.538424|2.970871|2.852012|4.363158|4.550548|0.085842|4.281026|6.276886|3.625787|23.635439|4.942284|0.116476|4.325039|10.468427|0.201108|6.645224|8.012411|17.974436|36.858105| |2.020869|2.041398|4.228615|2.385715|3.758990|2.843534|2.862583|3.513611|3.499823|5.245043|5.950872|0.111928|5.941769|8.035319|4.282024|25.375508|7.508382|0.155637|6.476475|17.233808|0.261671|7.688049|6.658523|10.740172|12.514789|36.858105| |1.766095|1.702937|3.358932|1.818537|2.913157|2.019327|1.952633|2.195131|2.129851|3.376297|3.291766|0.064068|2.889843|4.117471|2.555513|17.451194|3.332796|0.086652|3.076392|6.075446|0.118603|5.107728|7.830122|17.929738|7.813462|5.104352|36.858105| |1.555765|1.506378|2.938606|1.602912|2.599156|1.765016|1.726058|1.927888|1.903728|3.066103|2.936292|0.058242|2.509980|3.473703|2.188714|14.827851|2.932571|0.078550|2.801277|5.022301|0.095893|4.470557|6.191602|10.501219|5.075437|3.976323|12.413541|36.858105| |1.488905|1.454693|2.844338|1.566119|2.549070|1.734126|1.715425|1.930958|1.936014|3.129372|3.022075|0.060650|2.573432|3.479241|2.173685|14.438750|3.096866|0.084594|2.996066|5.212845|0.096836|4.956904|6.454997|9.520435|4.615656|3.937234|7.965390|15.835389|73.516695| |1.474467|1.417611|2.732657|1.483004|2.418263|1.610358|1.567178|1.723382|1.693976|2.753441|2.566596|0.050972|2.152719|2.996968|1.935577|13.356065|2.441073|0.065577|2.355702|4.024556|0.078488|3.408260|4.393868|7.089361|3.980000|3.196862|7.908715|14.206104|14.996262|53.358707| |1.328091|1.280123|2.447477|1.333667|2.192987|1.437907|1.406953|1.536265|1.521705|2.500573|2.290346|0.045907|1.886587|2.597407|1.699304|11.714705|2.128305|0.057964|2.085353|3.383194|0.065912|2.858754|3.459446|5.205469|3.078403|2.624529|4.953522|7.555027|11.589483|17.509192|36.858105| |1.302096|1.255000|2.395967|1.305997|2.150100|1.406326|1.376879|1.501745|1.489033|2.450872|2.239025|0.044941|1.840002|2.529902|1.657827|11.430749|2.077742|0.057708|2.010395|3.271804|0.064243|2.830920|3.405974|4.748264|2.799823|2.440995|4.259056|6.143908|10.804603|10.492238|12.432153|36.858105| |1.289391|1.234609|2.339026|1.267809|2.091267|1.352400|1.315630|1.419877|1.396734|2.304817|2.074127|0.041445|1.693315|2.351618|1.563439|10.943213|1.867961|0.050668|1.828813|2.931048|0.057959|2.393609|2.844135|4.285284|2.682957|2.291530|4.020033|5.130879|7.766927|10.786469|12.441146|7.602022|36.858105| |1.248709|1.214677|2.324643|1.278120|2.112049|1.382174|1.366246|1.496807|1.501470|2.483308|2.269963|0.045980|1.851391|2.506146|1.638395|11.137563|2.108357|0.057267|2.125146|3.285359|0.062803|2.757815|3.172177|4.816543|2.903846|2.570369|4.235733|6.133517|10.791710|10.494210|12.431874|7.545963|7.600154|36.858105| |2.801098|3.469294|7.582826|5.977805|11.111333|7.424194|12.651539|7.369539|6.046365|11.036575|5.718306|0.102673|3.632939|5.182609|5.059908|33.186499|2.822740|0.074869|2.568004|3.447745|0.075343|2.155172|1.969158|2.600788|2.145361|2.404078|1.704854|1.533014|2.721374|1.910968|1.275133|1.250033|1.197550|1.246765|36.858105| |17.566551|8.916439|10.200089|4.273421|7.087426|3.383097|2.750088|2.424840|2.047756|3.380009|2.587833|0.048091|1.982087|3.077818|2.559111|23.484804|1.765161|0.047357|1.587595|2.488147|0.055796|1.671813|1.703743|2.294844|1.853386|1.818102|1.625347|1.445712|2.460732|1.878997|1.252248|1.229225|1.222829|1.178539|2.499594|0.500000| |17.574752|8.851641|12.850251|4.895838|7.440778|4.011353|3.132184|2.797799|2.308559|3.732162|2.936419|0.053881|2.291487|3.651600|3.057103|29.784971|2.020569|0.053407|1.800544|2.891548|0.065590|1.908601|1.957451|2.665229|2.202175|2.143087|1.877664|1.637711|2.765170|2.115682|1.391275|1.354056|1.354256|1.305821|2.718471|0.300910|0.500000| |17.575620|8.851907|12.851972|4.897642|7.442110|4.013559|3.134425|2.799727|2.310084|3.734695|2.937867|0.053908|2.292526|3.653453|3.058942|29.796345|2.024184|0.054517|1.778499|2.880714|0.065925|1.928356|1.970484|2.614103|2.116458|2.069427|1.834665|1.615236|2.750546|2.078427|1.373612|1.355372|1.329846|1.284275|2.720524|0.300909|0.300518|0.500000| |8.804324|17.633764|16.516269|7.261981|12.846151|4.775821|3.732956|3.047345|2.498203|4.146005|3.030683|0.055771|2.261971|3.509443|3.076568|28.564086|1.947847|0.051639|1.761433|2.673712|0.059741|1.748484|1.735737|2.349078|1.933326|1.960074|1.627425|1.443841|2.477542|1.855738|1.234288|1.204263|1.193970|1.177009|3.442951|0.211477|0.211124|0.172906|0.500000| |8.804978|17.634304|16.516958|7.266596|12.851010|4.778977|3.736389|3.049597|2.499973|4.149221|3.032103|0.055799|2.262848|3.510881|3.078215|28.571647|1.950983|0.052633|1.740816|2.665079|0.059990|1.763492|1.744704|2.313966|1.874788|1.903465|1.599298|1.428421|2.467007|1.830543|1.221950|1.205165|1.177213|1.161221|3.446822|0.211503|0.172909|0.211131|0.302124|0.500000| |1.670144|1.759300|3.604355|2.158391|3.550115|2.594033|2.898605|3.693145|4.597898|7.429556|9.187743|0.240792|6.570622|6.283738|3.749507|20.154477|8.867054|0.221068|17.599540|7.524459|0.128077|4.639744|3.440302|4.465231|3.482410|4.758876|2.636319|2.452624|4.678862|2.860004|1.893937|1.844272|1.673865|1.937169|2.615574|0.042388|0.047483|0.047219|0.047361|0.047099|0.500000| |1.629164|1.682111|3.418342|1.995670|3.257199|2.355440|2.521669|3.112191|3.526021|5.611409|6.464347|0.143331|5.440788|5.819440|3.356477|19.007626|8.796174|0.209133|17.601947|9.522389|0.144014|6.346285|4.426803|5.865963|4.386223|6.245532|3.300248|3.090172|6.044456|3.483229|2.272297|2.187846|1.960574|2.349341|2.245250|0.041423|0.046745|0.046249|0.045180|0.044733|0.305324|0.500000| |1.771127|1.853633|3.817528|2.262010|3.678094|2.726680|2.979372|3.788388|4.406017|6.855937|8.358035|0.182343|6.796316|6.933140|4.023677|21.814142|8.714042|0.173375|17.611189|8.845500|0.144593|4.856863|3.758254|5.263236|4.420742|6.776897|3.029839|2.717950|5.050595|3.150244|2.040682|1.936581|1.809106|2.087072|2.624772|0.044751|0.051149|0.049687|0.050222|0.048841|0.301834|0.300249|0.500000| |1.684419|1.696794|3.429659|1.943381|3.132181|2.257034|2.310183|2.770835|2.898240|4.540730|4.959478|0.100645|4.530775|5.584462|3.166035|19.075697|6.879582|0.190050|6.300826|12.315949|0.180533|17.650127|8.884497|9.681772|5.818015|6.953771|4.841599|4.555431|9.517935|4.699049|2.948804|2.895020|2.431692|2.944311|2.019193|0.042779|0.048454|0.048603|0.044950|0.045066|0.138814|0.220229|0.143853|0.500000| |1.836192|1.849566|3.774124|2.131776|3.402695|2.498556|2.535797|3.062749|3.132005|4.817900|5.320184|0.104303|5.024235|6.447852|3.589063|21.583992|7.127859|0.237364|5.220179|12.360320|0.223735|17.622348|8.816187|7.700778|4.982909|5.613720|4.173997|3.814557|7.565896|4.116090|2.613646|2.665794|2.211719|2.508989|2.180041|0.046320|0.052276|0.053797|0.048273|0.049455|0.124619|0.153292|0.118636|0.299102|0.500000| |1.723024|1.687730|3.361235|1.848228|2.964436|2.086489|2.054250|2.360845|2.339947|3.692075|3.726950|0.073247|3.329355|4.582524|2.745388|17.978064|4.132741|0.116429|3.599190|7.649683|0.145410|9.033274|17.688820|12.509965|5.753036|4.976761|7.348959|7.109151|14.743108|6.632539|3.901427|4.006555|3.088482|3.526041|1.791894|0.043921|0.049737|0.050414|0.044293|0.044765|0.086311|0.110256|0.090828|0.218334|0.212921|0.500000| |2.048860|1.993660|4.043815|2.193605|3.446729|2.509778|2.415375|2.796823|2.667809|4.100264|4.218568|0.079759|3.948184|5.862608|3.419413|22.833030|4.619540|0.126221|3.672289|9.397939|0.210206|8.854815|17.389040|12.251692|7.186222|5.821096|6.708445|5.140102|8.953697|5.380880|3.151934|3.151089|2.682008|2.823163|2.045863|0.051432|0.059479|0.060572|0.051703|0.052411|0.087317|0.104817|0.094274|0.173703|0.215275|0.300416|0.500000| |1.986659|1.949837|3.934518|2.153379|3.411861|2.450534|2.379542|2.731084|2.628421|4.084878|4.101419|0.078238|3.690063|5.338589|3.244175|21.593274|4.109250|0.097468|3.854009|7.637643|0.146656|4.962345|5.738216|12.473935|17.601085|9.022613|7.290755|4.873263|7.610963|5.463972|3.098708|2.726993|2.754909|2.961100|2.038447|0.050104|0.059652|0.056220|0.052359|0.050002|0.087893|0.108936|0.114078|0.130195|0.109224|0.128022|0.145232|0.500000| |2.303749|2.241126|4.617326|2.485143|3.847056|2.872618|2.716099|3.147203|2.909738|4.404693|4.525658|0.083398|4.289955|6.787739|3.977531|27.177333|4.589754|0.110492|3.822018|9.348305|0.211451|5.785492|7.128578|12.193853|17.410781|8.829122|6.677005|4.418175|7.059215|4.940600|2.844115|2.636300|2.539641|2.621155|2.253804|0.057131|0.069156|0.066425|0.058969|0.057256|0.088178|0.103990|0.107698|0.133522|0.130440|0.144750|0.213760|0.301871|0.500000| |2.165488|2.212484|4.648353|2.646010|4.137313|3.213255|3.245989|4.048186|3.960960|5.819929|6.646902|0.120854|6.643166|9.341058|5.010624|28.914028|7.032404|0.142279|6.154186|12.354729|0.228115|5.614128|4.984490|7.708680|8.791597|17.651936|4.167300|3.314287|5.758024|3.785952|2.325670|2.165027|2.079162|2.280471|2.679454|0.053743|0.064200|0.060977|0.059356|0.056791|0.130090|0.150660|0.196941|0.142523|0.126708|0.109401|0.130890|0.213079|0.214548|0.500000| |1.821778|1.845867|3.768988|2.143033|3.431345|2.517592|2.576464|3.120882|3.225956|4.976314|5.499268|0.108535|5.095711|6.401406|3.608785|21.479178|6.811764|0.145700|7.232912|12.345961|0.182356|6.994059|5.866928|9.771820|8.901905|17.674353|4.862076|4.039507|7.324385|4.406743|2.694136|2.478038|2.327026|2.720210|2.223466|0.045986|0.053431|0.051561|0.049616|0.048115|0.142765|0.214475|0.218149|0.208173|0.142889|0.131310|0.134718|0.218371|0.173803|0.298674|0.500000| |1.859062|1.769743|3.478136|1.859263|2.965692|2.047454|1.952092|2.170500|2.072379|3.280371|3.155930|0.060868|2.765749|4.039488|2.545602|17.872977|3.093806|0.081634|2.781940|5.562063|0.114365|4.603992|7.126751|12.223195|6.573252|4.436520|17.438479|8.861668|11.099888|9.568756|4.623266|4.182910|3.943306|3.755885|1.697647|0.047490|0.054976|0.054096|0.046668|0.046127|0.067273|0.081110|0.075750|0.115919|0.109977|0.188460|0.198998|0.166170|0.182245|0.104922|0.112745|0.500000| |1.757789|1.692640|3.324437|1.797593|2.886462|1.984399|1.915448|2.136623|2.068198|3.293092|3.163826|0.061600|2.741570|3.912849|2.469599|17.011571|3.089177|0.078902|2.926127|5.453327|0.106556|4.252736|5.707266|12.572041|7.521150|4.897436|17.581549|8.907376|10.865827|9.937552|4.703276|3.823963|4.047559|4.152932|1.678792|0.045043|0.052336|0.050261|0.045270|0.043913|0.069834|0.086309|0.082335|0.114714|0.097865|0.145864|0.142368|0.236346|0.176952|0.115601|0.132057|0.302858|0.500000| |1.523875|1.454906|2.795405|1.506913|2.453141|1.627300|1.571565|1.716510|1.671408|2.713604|2.509957|0.049533|2.103763|2.966688|1.933652|13.536719|2.340871|0.062347|2.245971|3.860047|0.076475|3.156851|4.053871|6.690432|3.981891|3.121357|7.720868|9.512113|10.882428|26.051386|8.996095|5.988160|7.905454|6.004498|1.405279|0.039663|0.044890|0.043765|0.038913|0.038176|0.055684|0.066730|0.061998|0.087100|0.077991|0.119039|0.105174|0.114768|0.103389|0.076790|0.086360|0.206709|0.223073|0.500000| |1.350924|1.293273|2.463343|1.334209|2.191434|1.431056|1.391157|1.510517|1.484739|2.437220|2.219804|0.044264|1.829774|2.545285|1.675578|11.688233|2.042730|0.056852|1.944638|3.234174|0.064552|2.780524|3.409592|4.668027|2.781493|2.394621|4.244660|5.670647|9.426027|9.572730|8.789973|17.550925|6.957812|5.488158|1.259115|0.035440|0.039021|0.039238|0.034350|0.034496|0.049595|0.058078|0.052027|0.077013|0.073473|0.110745|0.090526|0.074675|0.074429|0.059356|0.066277|0.122916|0.104771|0.166028|0.500000| |1.214220|1.172087|2.226025|1.216033|2.012341|1.303089|1.279148|1.387831|1.380730|2.287871|2.064349|0.041619|1.677693|2.296372|1.518392|10.478562|1.880807|0.052414|1.836666|2.903848|0.057062|2.475316|2.876045|3.986836|2.426098|2.160705|3.445691|4.624251|8.342813|7.605409|8.829055|17.560848|6.942626|6.882059|1.169597|0.031981|0.034977|0.035037|0.031316|0.031358|0.047279|0.055387|0.049235|0.070746|0.065509|0.092076|0.074562|0.066122|0.063743|0.053881|0.061233|0.094013|0.088458|0.130282|0.301290|0.500000| |1.317334|1.276725|2.450769|1.342216|2.207521|1.455195|1.432220|1.573986|1.570578|2.581029|2.383034|0.048004|1.965712|2.679603|1.738904|11.849719|2.256111|0.063261|2.181252|3.558316|0.069161|3.177474|3.808570|5.129232|2.945046|2.605759|4.412039|6.569523|13.321069|9.399456|8.773624|17.619707|5.509391|6.872728|1.298355|0.034437|0.037937|0.038155|0.033967|0.034122|0.055515|0.066694|0.057658|0.091423|0.083482|0.130067|0.095537|0.078126|0.076194|0.063389|0.073910|0.117595|0.106135|0.145502|0.300544|0.301395|0.500000| |1.294860|1.240411|2.348701|1.273296|2.101428|1.357047|1.319938|1.422561|1.398474|2.309086|2.072493|0.041393|1.688752|2.346759|1.564434|10.962110|1.853791|0.049789|1.829156|2.904666|0.057318|2.327085|2.738465|4.248328|2.722995|2.317536|3.983016|4.823072|7.174654|9.754887|8.759667|5.501032|17.537199|6.936317|1.202266|0.034123|0.037944|0.036910|0.033456|0.032744|0.046389|0.054309|0.050799|0.065841|0.059178|0.080584|0.071607|0.079596|0.071213|0.058824|0.065692|0.106390|0.117475|0.219155|0.141459|0.141268|0.122786|0.500000| |1.203764|1.155227|2.179604|1.184676|1.963323|1.259355|1.229046|1.321733|1.305385|2.166422|1.931578|0.038767|1.563043|2.159065|1.444061|10.094809|1.719260|0.046912|1.693701|2.655065|0.052471|2.163625|2.509263|3.697791|2.348275|2.054021|3.314063|4.137734|6.668822|7.716359|8.826193|6.926885|17.588569|6.926365|1.125801|0.031833|0.034982|0.034455|0.031079|0.030709|0.043444|0.050434|0.046452|0.061411|0.056192|0.075842|0.065907|0.066660|0.061932|0.052133|0.058199|0.090331|0.092022|0.151965|0.171512|0.208128|0.141243|0.301996|0.500000| |1.335770|1.269994|2.399397|1.292351|2.127381|1.372873|1.326605|1.425515|1.391420|2.290729|2.055906|0.040855|1.682693|2.360308|1.576173|11.154856|1.839115|0.049991|1.775994|2.898109|0.058072|2.357196|2.838196|4.215222|2.661757|2.249058|3.996375|4.826502|7.177426|9.752815|8.759091|6.938306|17.537756|5.500178|1.204307|0.035219|0.039001|0.038406|0.034017|0.033621|0.045194|0.052404|0.048733|0.065336|0.060959|0.085259|0.076115|0.075304|0.071485|0.056974|0.062401|0.114770|0.110503|0.218388|0.209208|0.171697|0.141325|0.299965|0.301954|0.500000| |1.261307|1.233766|2.373643|1.311722|2.166069|1.428332|1.420415|1.568671|1.586007|2.620587|2.422090|0.049322|1.980668|2.651822|1.716623|11.520925|2.297288|0.062690|2.334760|3.577918|0.067366|3.074402|3.485413|5.221752|3.071891|2.770522|4.389544|6.564155|13.309576|9.410313|8.774876|6.867876|5.509057|17.620248|1.294957|0.032972|0.036545|0.036071|0.033167|0.032813|0.058945|0.072950|0.063061|0.093543|0.077289|0.109726|0.083852|0.085571|0.075756|0.067308|0.082715|0.105183|0.115593|0.145933|0.140325|0.169624|0.204906|0.141350|0.141196|0.122786|0.500000| |1.169858|1.138494|2.167551|1.193085|1.980564|1.283530|1.270532|1.383963|1.390929|2.314865|2.089183|0.042460|1.686657|2.278461|1.503268|10.247939|1.904118|0.052087|1.924840|2.913900|0.056035|2.425685|2.729263|4.028160|2.494172|2.250730|3.433207|4.620448|8.340169|7.605542|8.827894|6.885748|6.936005|17.559547|1.166938|0.030796|0.033874|0.033403|0.030682|0.030332|0.049330|0.058793|0.052446|0.071708|0.062400|0.083980|0.068607|0.070395|0.063462|0.056196|0.065920|0.087287|0.093619|0.130469|0.140729|0.206118|0.169942|0.171491|0.207929|0.141191|0.301254|0.500000| |1.253938|1.220614|2.335239|1.284498|2.123714|1.388191|1.372306|1.501603|1.505561|2.491764|2.271295|0.045984|1.848412|2.503687|1.641364|11.166500|2.092311|0.056118|2.130730|3.255288|0.062097|2.664065|3.034662|4.777721|2.961136|2.613277|4.203309|5.652904|9.404622|9.571254|8.791170|5.488550|6.960258|17.552231|1.253176|0.032880|0.036571|0.035654|0.032983|0.032309|0.053763|0.065182|0.058954|0.079055|0.066591|0.090635|0.075191|0.086287|0.073653|0.064891|0.077481|0.101734|0.121117|0.166765|0.122901|0.140729|0.140350|0.209274|0.171643|0.141481|0.300669|0.301250|0.500000| |2.542220|3.074988|6.539963|4.849087|8.987754|5.848719|8.936149|6.641273|6.128534|12.046080|5.784459|0.106122|3.579025|4.949113|4.629680|29.230316|2.814589|0.076306|2.560840|3.378505|0.073398|2.139893|1.935937|2.525858|2.052865|2.308440|1.653258|1.499988|2.682584|1.866822|1.251726|1.234523|1.171808|1.226022|17.582570|0.063683|0.067949|0.069787|0.083418|0.086865|0.073752|0.062303|0.071415|0.055851|0.060924|0.049266|0.055728|0.053821|0.059500|0.070287|0.059731|0.045694|0.044916|0.037946|0.034511|0.032147|0.035746|0.032558|0.030682|0.032702|0.035482|0.031951|0.034096|0.500000| |2.540696|3.073459|6.537359|4.848515|8.990912|5.848429|8.935288|6.639379|6.127579|12.044268|5.785668|0.106136|3.578936|4.947844|4.628259|29.223233|2.806909|0.073427|2.629327|3.396806|0.072957|2.113661|1.923695|2.571261|2.129812|2.411299|1.683936|1.517587|2.695909|1.893111|1.264744|1.233396|1.188025|1.244429|17.582023|0.063645|0.069691|0.067958|0.086731|0.083468|0.074837|0.063555|0.075984|0.055641|0.058776|0.048640|0.054878|0.056770|0.061408|0.075316|0.062674|0.046206|0.046354|0.038657|0.034359|0.032098|0.035566|0.033248|0.031044|0.033056|0.035926|0.032355|0.034884|0.303992|0.500000| 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