Version2.0 2020-01-30T09:55:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCc3nn(C)c4c(=O)[nH]c(c2cc(S(=O)(=O)NCCNc1ccccc1)ccc2OCC)nc34 487042 CHEMBL494817 RHF 6-31G(d) (6D,7F) CCCc3nn(C)c4c(=O)[nH]c(c2cc(S(=O)(=O)NCCNc1ccccc1)ccc2OCC)nc34 C01[X(C25H30N6O4S1)] 192 C1 604 CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)NCCNc1ccccc1)C CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)NCCNc1ccccc1)C CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)NCCNc4ccccc4 InChIKey=DDDBSNBQLYVDKA-UHFFFAOYSA-N InChI=1S/C25H30N6O4S/c1-4-9-20-22-23(31(3)30-20)25(32)29-24(28-22)19-16-18(12-13-21(19)35-5-2)36(33,34)27-15-14-26-17-10-7-6-8-11-17/h6-8,10-13,16,26-27H,4-5,9,14-15H2,1-3H3,(H,28,29,32) InChI=1/C25H30N6O4S/c1-4-9-20-22-23(31(3)30-20)25(32)29-24(28-22)19-16-18(12-13-21(19)35-5-2)36(33,34)27-15-14-26-17-10-7-6-8-11-17/h6-8,10-13,16,26-27H,4-5,9,14-15H2,1-3H3,(H,28,29,32)/f/h29H CCCc3nn(C)c4c(=O)[nH]c(c2cc(S(=O)(=O)NCCNc1ccccc1)ccc2OCC)nc34 C01[X(C25H30N6O4S1)] 192 C01 604 CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)NCCNc1ccccc1)C CCC[C@@H]1NN([C@H]2[C@@H]1N=C(NC2=O)c1cc(ccc1OCC)S(=O)(=O)NCCNc1ccccc1)C CCC[C@@H]1NN(C)[C@H]2[C@@H]1N=C(NC2=O)c3cc(ccc3OCC)[S](=O)(=O)NCCNc4ccccc4 InChIKey=QXXDZMDVUVEEEH-WWNPGLIZSA-N InChI=1S/C25H34N6O4S/c1-4-9-20-22-23(31(3)30-20)25(32)29-24(28-22)19-16-18(12-13-21(19)35-5-2)36(33,34)27-15-14-26-17-10-7-6-8-11-17/h6-8,10-13,16,20,22-23,26-27,30H,4-5,9,14-15H2,1-3H3,(H,28,29,32)/t20-,22+,23-/m0/s1 InChI=1/C25H34N6O4S/c1-4-9-20-22-23(31(3)30-20)25(32)29-24(28-22)19-16-18(12-13-21(19)35-5-2)36(33,34)27-15-14-26-17-10-7-6-8-11-17/h6-8,10-13,16,20,22-23,26-27,30H,4-5,9,14-15H2,1-3H3,(H,28,29,32)/t20-,22+,23-/m0/s1/f/h29H 3933.7257601432 -1987.7631006 1-A 27619.3626 135 469 604 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5481.34 5577.18 0.578590 0.611627 0.612571 0.506441 -1987.184511 -1987.151474 -1987.150529 -1987.256659 3.559618D-04 MUNgauss RevisionA2.0 retrievium 30-Jan-2020 DUDE CCCc3nn(C)c4c(=O)[nH]c(c2cc(S(=O)(=O)NCCNc1ccccc1)ccc2OCC)nc34 487042 CHEMBL494817 RHF 6-31G(d) (6D,10F) C1 510.204926 |X|Y|Z| 138.410139 77.857675 48.990997 80.821804 26 6 7 16 19 6 1 |36.858105| |12.468848|36.858105| |7.488008|12.413663|36.858105| |4.900863|7.523984|12.704129|36.858105| |4.001884|5.537528|7.748871|14.583913|53.358707| |3.239711|4.279260|5.334531|8.925415|19.561472|53.358707| |2.683594|3.338237|3.930815|5.437019|10.788261|17.916286|36.858105| |3.218471|4.280696|5.179911|8.634175|11.823481|19.274360|7.542197|36.858105| |2.668172|3.360017|3.802098|5.301092|7.173063|10.167987|5.892372|13.174698|36.858105| |2.315345|2.829230|3.142607|4.147742|5.962911|8.376209|5.871929|7.979566|15.862454|73.516695| |2.680291|3.325527|3.656820|4.753729|5.846364|7.132487|4.188920|8.229020|13.785398|15.014456|53.358707| |2.375076|2.861475|3.075719|3.808686|4.814541|5.769974|3.633268|5.913649|9.452197|13.918652|26.033286|0.500000| |3.095969|3.881880|4.229166|5.271125|5.864641|6.464856|3.655604|7.046216|7.738198|9.568271|18.859217|0.258619|36.858105| |2.792289|3.297189|3.434750|3.877552|4.435252|4.710710|2.844378|4.537904|5.025811|7.174585|10.496276|0.203021|12.735962|36.858105| |2.968580|3.379518|3.499252|3.687952|4.130310|4.183497|2.538030|3.815147|3.902044|5.733193|7.065609|0.134454|7.765634|13.732318|36.858105| |2.594879|2.826823|2.857975|2.926231|3.389709|3.421158|2.146283|2.995391|3.098425|4.767842|5.335656|0.107219|5.080081|7.881035|13.760889|36.858105| |2.582885|2.673494|2.682864|2.613919|3.043287|2.988341|1.896912|2.514420|2.509188|3.928433|4.054890|0.080301|3.682600|4.716549|6.965825|10.764000|388.023441| |2.174001|2.231734|2.234634|2.198697|2.625869|2.605143|1.688164|2.165285|2.198692|3.522053|3.507303|0.071186|3.034923|3.824071|4.963824|7.400879|94.770248|73.516695| |2.765873|2.836514|2.944974|2.816029|3.247519|3.141541|1.980451|2.619995|2.553034|3.970887|4.045291|0.078394|3.679017|4.385305|6.382811|7.358004|94.875345|13.541889|73.516695| |2.863312|2.876398|2.749476|2.594449|3.004446|2.898887|1.838220|2.401572|2.345978|3.675444|3.707501|0.072581|3.355926|4.061348|5.527168|6.939972|82.837646|13.729522|13.893518|53.358707| |2.600764|2.618628|2.442097|2.336262|2.753416|2.682597|1.722307|2.211785|2.190857|3.477962|3.447518|0.068601|3.037089|3.671212|4.555437|5.688081|50.175869|11.227089|8.879395|17.806838|36.858105| |2.594813|2.516300|2.297236|2.150084|2.558457|2.462034|1.594655|1.986690|1.939519|3.106721|2.968438|0.058742|2.556535|2.923263|3.461528|3.960392|34.245731|7.995786|7.025792|10.654550|12.497465|36.858105| |2.300522|2.251049|2.044436|1.941765|2.347455|2.279294|1.493730|1.830111|1.805721|2.927178|2.745489|0.054946|2.311065|2.622216|2.962845|3.349593|26.638441|6.563120|5.537486|7.016740|7.875372|13.190434|53.358707| |2.176592|2.091370|1.886796|1.779050|2.173824|2.100468|1.388725|1.662767|1.630462|2.663621|2.436823|0.048684|2.019129|2.228911|2.467445|2.703314|21.267287|5.251213|4.643134|5.294968|5.080311|7.697037|18.526957|36.858105| |1.910032|1.854022|1.684317|1.607599|1.988455|1.936316|1.293246|1.527123|1.510523|2.492618|2.245765|0.045249|1.830017|2.011396|2.177015|2.376976|18.163890|4.587735|3.987645|4.260396|3.962533|5.108966|10.791579|13.629913|36.858105| |1.786980|1.718443|1.560451|1.484571|1.851658|1.798233|1.209545|1.404087|1.383282|2.295477|2.032647|0.040895|1.639835|1.772801|1.900272|2.040053|15.519156|3.903290|3.494265|3.552570|3.127338|3.901908|7.056579|7.891553|13.816833|36.858105| |1.855382|1.752469|1.582733|1.487904|1.855792|1.787220|1.201734|1.385348|1.351504|2.238842|1.971462|0.039393|1.592796|1.701115|1.831042|1.940758|14.921315|3.697790|3.428414|3.434546|2.921869|3.713024|6.170911|6.795029|7.919718|13.715937|36.858105| |2.094982|1.947274|1.745732|1.619534|2.002408|1.912702|1.276476|1.483336|1.434623|2.359176|2.095869|0.041579|1.711847|1.825746|1.992681|2.105398|16.492402|4.017687|3.815384|3.909336|3.293139|4.425907|6.986747|7.905813|6.913724|7.996599|13.796457|36.858105| |2.304161|2.153681|1.926637|1.784716|2.180304|2.082713|1.376726|1.631729|1.578935|2.575892|2.333280|0.046204|1.933239|2.091468|2.321987|2.485338|19.819555|4.784946|4.495294|4.933825|4.327359|6.526865|10.566969|13.697923|7.952264|6.887449|7.896758|13.719733|36.858105| |2.238357|2.437555|2.444453|2.548337|3.039253|3.128308|2.006589|2.724029|2.923160|4.627385|5.037913|0.106779|4.438974|6.806221|7.948267|13.770790|49.417248|11.683112|8.923951|7.114835|5.032279|3.589491|4.397640|2.612499|2.362859|2.020512|1.888781|2.008467|2.345810|36.858105| |2.156039|2.401161|2.416984|2.602316|3.147604|3.323667|2.143593|2.946580|3.308880|5.282443|5.918325|0.132750|4.970336|7.856501|6.900608|7.966985|33.649911|7.924138|6.873951|5.372843|3.919952|3.004248|3.821872|2.337027|2.158178|1.871106|1.748254|1.838782|2.110287|13.792811|36.858105| |2.357062|2.714203|2.769461|3.095750|3.714785|4.010902|2.534881|3.717858|4.353082|6.706009|8.626489|0.199851|7.389265|13.540314|7.946728|6.868194|29.816195|6.581557|6.568301|4.926991|3.482317|2.767360|3.495381|2.179691|2.005494|1.761816|1.667032|1.762440|2.007609|7.915660|13.698675|36.858105| |2.188188|2.543239|2.600286|2.986679|3.707499|4.140896|2.677569|3.849539|4.865838|7.844899|9.611833|0.264987|6.587921|8.103029|5.280139|4.629499|23.021041|5.243897|5.249312|3.957418|2.854648|2.369294|3.064191|1.955466|1.828976|1.627773|1.541463|1.614415|1.810802|5.225813|7.960850|14.198227|73.516695| |1.904815|2.166465|2.188827|2.463025|3.129593|3.469914|2.324762|3.072438|3.774956|6.509048|6.524328|0.168888|4.425678|5.182613|3.963245|3.788322|20.020377|4.767686|4.514806|3.488427|2.592063|2.184961|2.896190|1.863850|1.775190|1.584927|1.487735|1.538457|1.710985|4.523440|6.729238|7.902148|23.879243|36.858105| |1.802547|2.061130|2.088751|2.385520|3.118880|3.533775|2.437457|3.076918|3.887811|7.163571|6.206976|0.161400|3.888644|4.062406|3.191049|2.980266|16.613772|3.949169|3.851455|2.956029|2.190295|1.902610|2.539506|1.667387|1.600520|1.449157|1.368664|1.409512|1.547772|3.350571|4.418383|5.219144|14.325244|12.579990|36.858105| |3.861777|5.147598|5.856243|7.510424|7.280060|7.379319|3.895818|7.843073|6.598482|8.293326|11.147402|0.165413|14.951017|7.993700|6.905863|4.611388|25.934119|5.210911|6.763031|4.711318|3.057974|2.634918|3.189806|2.064787|1.849679|1.665775|1.637482|1.779927|2.011706|3.828384|3.977768|5.188944|8.224115|3.450530|3.128638|53.358707| |3.996356|5.663476|7.243570|13.435531|11.680216|11.842187|5.275423|13.907592|7.791198|9.449802|9.918969|0.146650|8.500117|5.247812|4.631039|3.468155|20.760192|4.326861|5.490384|3.837826|2.539529|2.267688|2.789481|1.846723|1.671414|1.527193|1.512564|1.637687|1.820953|3.014759|3.159022|3.963694|6.801950|3.004019|2.873334|18.888129|36.858105| |17.532415|8.772843|6.789148|4.533100|4.959057|4.109484|2.504247|3.071476|2.589146|3.984133|3.614772|0.065633|3.127675|2.890927|3.184223|2.801562|20.441866|4.233925|5.601498|4.384344|2.838638|2.835775|3.332892|2.297958|1.988882|1.848976|1.923936|2.197280|2.447649|2.368098|2.236174|2.416953|3.915922|1.912309|1.786473|5.308414|3.858212|0.500000| |17.537450|8.773749|6.790020|4.531399|5.336530|4.253921|2.649306|2.999225|2.483279|3.888981|3.328250|0.060543|2.749654|2.471892|2.600037|2.297315|16.342243|3.497362|4.406694|3.402815|2.281167|2.286800|2.790916|1.962265|1.741931|1.647078|1.717142|1.925428|2.084289|2.007192|1.943102|2.116628|3.535108|1.747912|1.670928|4.569580|3.590819|0.301724|0.500000| |17.547653|8.778370|5.458771|4.058634|4.679184|3.932761|2.445746|2.892963|2.463667|3.845559|3.393638|0.062207|2.857517|2.634081|2.788927|2.489237|17.681371|3.763751|4.615815|3.847855|2.639412|2.697009|3.296210|2.322462|2.033739|1.912159|2.000461|2.271595|2.486635|2.176578|2.097117|2.267964|3.755702|1.860166|1.761400|4.696452|3.491396|0.301543|0.301720|0.500000| |8.849769|17.537290|8.850789|6.908641|6.766545|5.644136|3.212035|4.445400|3.587331|5.277096|5.032866|0.087948|4.517629|3.859852|3.966988|3.251778|21.371215|4.386181|5.549451|4.469589|2.998777|2.832820|3.428161|2.300923|2.023720|1.851905|1.872460|2.084004|2.340879|2.772006|2.729013|3.113900|5.105321|2.410430|2.259657|8.361724|6.118837|0.210476|0.172852|0.212355|0.500000| |8.848224|17.531627|8.862498|6.907627|7.831391|6.036573|3.535526|4.236710|3.322421|5.063555|4.338388|0.076766|3.561396|3.003470|2.980999|2.529752|16.825659|3.585424|4.386769|3.446311|2.364245|2.287302|2.848247|1.965294|1.766083|1.649814|1.680862|1.848621|2.018295|2.238221|2.242985|2.541249|4.340129|2.105045|2.039373|6.128918|5.198810|0.172813|0.210606|0.212232|0.303564|0.500000| |6.850150|8.823494|17.564763|9.044465|10.150319|6.754149|3.881592|4.459331|3.352604|5.101328|4.280971|0.075040|3.481760|2.899729|2.946716|2.480093|16.857921|3.579892|4.639918|3.297714|2.170491|2.071873|2.531397|1.738272|1.562566|1.461456|1.490408|1.639188|1.787614|2.156631|2.133682|2.409805|4.075531|1.966445|1.898342|6.103816|5.524473|0.168532|0.203223|0.140124|0.173572|0.212175|0.500000| |6.890803|8.846043|17.533461|8.989212|8.062526|6.190874|3.453447|4.683909|3.612965|5.303992|4.929129|0.085166|4.346379|3.641109|3.885359|3.148302|21.458694|4.379280|6.100668|4.164872|2.632599|2.454381|2.915238|1.959565|1.733850|1.597604|1.620633|1.798747|2.002771|2.620428|2.536487|2.876918|4.680777|2.205095|2.068654|8.270372|6.634916|0.204670|0.169578|0.140648|0.211764|0.173856|0.302697|0.500000| |2.558365|3.094124|3.734907|4.910803|9.528577|12.466771|17.605503|5.974612|4.850711|8.641524|4.982307|0.089622|3.271875|2.612670|2.379867|2.032071|12.964300|2.895544|3.422896|2.391150|1.635445|1.519751|1.931646|1.323213|1.232127|1.155583|1.151386|1.223947|1.316740|1.893769|2.000992|2.331056|4.320123|2.128554|2.212199|4.764556|4.587757|0.067007|0.071301|0.064297|0.081413|0.089469|0.106086|0.093054|0.500000| |2.414765|2.959367|3.384486|4.546492|7.918337|12.585424|17.680199|7.201634|6.733475|13.672609|6.158592|0.111648|3.718676|2.906042|2.534851|2.153246|13.346984|2.992925|3.448239|2.453776|1.700133|1.563529|2.004472|1.365054|1.277337|1.192353|1.178151|1.245281|1.343641|2.043640|2.219323|2.646154|5.103968|2.506277|2.689497|5.115663|4.827126|0.063303|0.065515|0.061956|0.081262|0.086094|0.090909|0.085009|0.299372|0.500000| |2.688160|3.325640|3.754720|4.922762|9.649666|12.492886|17.614450|5.908249|4.778978|8.514635|4.918538|0.088717|3.241171|2.587033|2.331871|1.997140|12.671426|2.831073|3.284866|2.384790|1.656965|1.549873|1.988684|1.367867|1.277611|1.200494|1.195702|1.268053|1.360547|1.875444|1.996601|2.332504|4.378184|2.171560|2.288351|4.733138|4.561697|0.068461|0.074397|0.068850|0.087822|0.101469|0.104887|0.089741|0.300058|0.299212|0.500000| |3.415770|3.898322|4.141114|4.224607|4.552641|4.463752|2.653101|4.022148|3.869025|5.607470|6.632186|0.120258|7.344218|9.000957|17.783103|8.919755|47.214925|8.097265|12.755195|7.592340|4.328240|3.434810|3.913686|2.431392|2.122842|1.869687|1.826935|2.011133|2.340306|5.654032|4.971701|5.663253|7.588089|3.314399|2.799223|10.806042|5.193362|0.104294|0.082197|0.086961|0.127186|0.092244|0.094738|0.133997|0.069643|0.072151|0.067561|0.500000| |3.361268|3.339459|3.147605|2.893400|3.288278|3.121508|1.955018|2.579145|2.463270|3.816129|3.859659|0.074094|3.556527|4.136933|5.647493|6.191501|61.357106|10.174828|13.431254|25.922193|9.065836|6.989541|6.400576|3.719298|2.977661|2.529571|2.493984|2.881077|3.613913|4.563761|3.653051|3.528002|5.101053|2.490505|2.141796|5.210783|3.103646|0.107650|0.079863|0.091678|0.107277|0.079815|0.076024|0.098759|0.051837|0.052756|0.051831|0.172072|0.500000| |2.683112|2.766756|2.544331|2.469776|2.902935|2.848444|1.820491|2.372843|2.366733|3.739918|3.767281|0.075115|3.344954|4.102572|4.928533|5.941473|43.000671|9.367353|7.889796|12.237586|17.539365|8.866941|9.863808|4.812613|3.892063|3.075009|2.840799|3.145526|4.043962|5.450879|4.404751|3.940070|5.703352|2.895252|2.421823|4.526295|2.725942|0.079841|0.064808|0.076144|0.089876|0.069912|0.062202|0.075069|0.047563|0.050098|0.048743|0.125610|0.211433|0.500000| |2.277898|2.305367|2.188490|2.123385|2.537002|2.497475|1.620761|2.056710|2.068285|3.320704|3.257460|0.065850|2.810548|3.439964|4.175065|5.497678|48.901771|13.305476|8.345122|12.611941|17.614691|8.867679|9.628250|4.713876|3.886547|3.056767|2.795197|3.060165|3.900861|5.302355|4.012252|3.399113|4.969781|2.596098|2.174879|3.760814|2.318192|0.068480|0.056392|0.063852|0.072198|0.058470|0.054595|0.065303|0.042900|0.044742|0.043223|0.107123|0.179836|0.300953|0.500000| |2.446977|2.339757|2.170951|2.020079|2.417448|2.320069|1.510892|1.858202|1.810485|2.914037|2.749752|0.054451|2.347335|2.660724|3.163449|3.632459|33.408760|8.120226|7.096285|9.798812|8.875307|17.500454|12.198001|6.724915|4.678749|3.729087|3.639327|4.389203|6.274587|3.280904|2.733936|2.515140|3.850674|2.006160|1.757736|3.301133|2.111004|0.075063|0.060727|0.069987|0.071762|0.058991|0.054979|0.064964|0.040297|0.041090|0.040726|0.088426|0.176087|0.173859|0.213353|0.500000| |2.981095|2.834337|2.524284|2.316948|2.733114|2.597824|1.671195|2.085438|2.003913|3.189364|3.041686|0.059440|2.639027|2.941447|3.469067|3.766566|31.519239|6.943792|6.852607|9.720795|8.917178|17.570274|12.559746|6.954397|4.655931|3.741236|3.722860|4.628663|6.876227|3.322603|2.852980|2.716593|4.167725|2.136154|1.881357|3.793956|2.410831|0.091228|0.071837|0.087459|0.089287|0.070943|0.062941|0.074826|0.044157|0.045182|0.045300|0.098453|0.208069|0.213360|0.174471|0.302037|0.500000| |2.093688|2.074013|1.912153|1.839643|2.238046|2.192599|1.444559|1.766224|1.763437|2.875373|2.693813|0.054471|2.248375|2.586589|2.902052|3.365598|26.552765|6.883313|5.401124|6.588097|7.444833|9.310865|25.980971|9.545670|7.561556|4.914162|4.097834|4.351139|5.887176|3.365453|2.906329|2.591645|4.037637|2.177162|1.894421|3.051340|1.958381|0.061648|0.052262|0.060579|0.064172|0.053812|0.048449|0.055636|0.038163|0.039789|0.039142|0.076778|0.117771|0.189849|0.218676|0.208313|0.181857|0.500000| |1.815483|1.788196|1.636800|1.580400|1.960009|1.924002|1.287975|1.525077|1.523445|2.522454|2.277003|0.046234|1.846680|2.050238|2.200740|2.428975|18.233691|4.685168|3.943784|4.178516|3.952206|4.724479|9.949601|8.897999|17.693739|8.938357|5.637827|4.971320|5.651304|2.471413|2.267810|2.079074|3.377120|1.864994|1.672683|2.508342|1.658911|0.052313|0.046032|0.053291|0.054392|0.047454|0.042097|0.046742|0.034028|0.035522|0.035277|0.058764|0.079768|0.110039|0.111673|0.118674|0.116006|0.225786|0.500000| |1.637285|1.585642|1.448218|1.387855|1.742753|1.700580|1.150790|1.325264|1.312279|2.190623|1.922477|0.038859|1.536942|1.657747|1.758418|1.884240|14.151159|3.589124|3.194659|3.161459|2.748973|3.274023|5.730018|5.632036|8.971769|17.708328|8.900142|5.667662|4.958868|1.888598|1.767339|1.662615|2.755263|1.523686|1.400750|2.111787|1.429719|0.046774|0.042173|0.048476|0.047277|0.042556|0.037808|0.041029|0.030551|0.031607|0.031767|0.047830|0.062362|0.075833|0.075849|0.087315|0.086868|0.115902|0.216674|0.500000| |1.734499|1.634625|1.480867|1.393193|1.749445|1.684568|1.139175|1.297917|1.265290|2.105450|1.833210|0.036648|1.470085|1.557269|1.664090|1.750637|13.371998|3.316838|3.107791|3.017984|2.510527|3.080982|4.914198|4.912108|5.636007|8.877728|17.726660|8.904069|5.623763|1.707268|1.593320|1.527500|2.530844|1.378625|1.278179|2.057878|1.408991|0.049684|0.044999|0.051935|0.048092|0.043820|0.038998|0.041957|0.030380|0.031011|0.031570|0.046227|0.061178|0.068107|0.067118|0.084744|0.086402|0.092768|0.124010|0.213843|0.500000| |2.129045|1.946627|1.742658|1.601949|1.985190|1.884338|1.259467|1.450779|1.393397|2.292219|2.020880|0.039925|1.647164|1.737260|1.894878|1.979008|15.539057|3.752944|3.667611|3.643229|2.957492|3.860801|5.665020|5.642853|4.972444|5.666109|8.933172|17.707844|8.953104|1.871400|1.719567|1.663658|2.718991|1.451965|1.338452|2.350084|1.602699|0.062098|0.054775|0.064412|0.057222|0.051360|0.045778|0.049849|0.033650|0.033991|0.034829|0.053675|0.075786|0.078331|0.075994|0.108636|0.115388|0.099599|0.107823|0.124281|0.214501|0.500000| |2.566564|2.357019|2.099527|1.916527|2.320859|2.198181|1.443117|1.721570|1.650506|2.674877|2.439198|0.047933|2.041684|2.199974|2.480409|2.635527|21.496414|5.062061|4.953267|5.524916|4.639614|7.282758|9.542317|8.868699|5.638374|4.962751|5.648288|8.957725|17.753324|2.426543|2.163179|2.074853|3.301359|1.733060|1.565338|2.930183|1.942873|0.077040|0.064014|0.076998|0.071164|0.060560|0.053969|0.061166|0.038408|0.038929|0.039536|0.070587|0.115732|0.117416|0.111786|0.201580|0.240490|0.146782|0.123864|0.107678|0.124275|0.217986|0.500000| |2.046950|2.186100|2.179473|2.241740|2.707147|2.770931|1.803139|2.362111|2.514947|4.057166|4.181998|0.088810|3.551621|4.920579|5.654134|8.928954|47.090412|13.564245|8.266948|6.896401|5.136915|3.667748|4.569016|2.695523|2.459946|2.088584|1.932835|2.040451|2.384493|17.758029|8.933333|5.638496|7.492044|3.926465|2.994122|4.307552|2.584294|0.060264|0.051377|0.055711|0.068174|0.056073|0.054133|0.064762|0.047580|0.050954|0.047121|0.124309|0.117801|0.147309|0.164597|0.094650|0.091153|0.100242|0.072325|0.054392|0.048427|0.052471|0.067818|0.500000| |1.938335|2.139772|2.144306|2.306051|2.843669|3.017881|1.985656|2.627505|2.975912|4.901015|5.124101|0.117650|4.041162|5.605755|4.972149|5.676581|27.872706|6.966502|5.786734|4.600091|3.474100|2.745776|3.597713|2.226536|2.096712|1.824610|1.690851|1.756419|1.995888|8.990464|17.790164|8.891777|12.741041|7.570073|4.734714|4.509984|2.746477|0.055467|0.048964|0.052744|0.066720|0.056238|0.053282|0.061881|0.051591|0.057520|0.051697|0.107942|0.086522|0.107410|0.101351|0.069867|0.071821|0.077192|0.061942|0.048335|0.042963|0.045501|0.056136|0.216876|0.500000| |1.782932|2.002154|2.043114|2.275841|2.899697|3.193115|2.156918|2.789717|3.378196|5.880063|5.723604|0.145204|3.939375|4.704464|3.779492|3.747975|20.042944|4.889875|4.520112|3.405369|2.512184|2.112144|2.791501|1.796755|1.715226|1.532715|1.437535|1.484192|1.648476|4.614949|6.796858|6.987802|16.508770|17.577736|8.838808|4.262588|2.737886|0.050110|0.045700|0.048216|0.061273|0.053726|0.051368|0.057765|0.055670|0.064417|0.055740|0.087880|0.066729|0.076421|0.071138|0.054485|0.056791|0.058797|0.050160|0.041013|0.037048|0.038926|0.046364|0.114302|0.232321|0.500000| |1.897833|2.138720|2.117809|2.339957|2.955469|3.219052|2.153037|2.806497|3.310405|5.640599|5.577019|0.134629|3.999492|4.781566|3.834719|3.798123|20.267457|4.875483|4.466096|3.615207|2.767091|2.326163|3.134376|2.005343|1.921875|1.703670|1.584254|1.629885|1.817954|4.664046|6.854340|7.092457|16.531190|17.580526|8.839198|4.406100|2.804462|0.052922|0.048155|0.052041|0.066578|0.057793|0.052825|0.059203|0.054781|0.063648|0.056616|0.088964|0.071104|0.087419|0.077340|0.058700|0.062769|0.065900|0.056620|0.045571|0.040633|0.042432|0.050759|0.114882|0.229298|0.300424|0.500000| |1.780736|2.043531|2.110050|2.442821|3.233694|3.730600|2.605419|3.256972|4.273144|8.240010|6.663858|0.180127|3.942814|3.961066|3.108475|2.856409|16.068445|3.804869|3.796818|2.825265|2.057244|1.794612|2.372396|1.564650|1.496429|1.361661|1.294452|1.337508|1.464843|3.137171|4.026741|4.850380|12.877354|8.846499|17.576961|4.296272|2.955963|0.049037|0.046146|0.047919|0.061573|0.056149|0.053537|0.058071|0.065910|0.081322|0.066977|0.076812|0.057157|0.062356|0.056656|0.046441|0.049460|0.048987|0.043180|0.036523|0.033673|0.035462|0.041355|0.077773|0.116306|0.211960|0.173172|0.500000| 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