Version2.2 2021-02-06T20:41:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1c2c(sc(n2)Nc3ccccc3)C[C@@]4([C@H]1[C@@H]([C@@H](CC4)[C@H](C)C(=O)N5CCCC5)O)C C43548391 RHF 6-31G(d) (6D,7F) C[C@@H]1c2c(sc(n2)Nc3ccccc3)C[C@@]4([C@H]1[C@@H]([C@@H](CC4)[C@H](C)C(=O)N5CCCC5)O)C C01[X(C26H35N3O2S1)] 195 C1 554 C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2([C@@H]([C@@H]1O)[C@H](C)c1c(C2)sc(n1)Nc1ccccc1)C C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2([C@@H]([C@@H]1O)[C@H](C)c1c(C2)sc(n1)Nc1ccccc1)C C[C@@H]([C@@H]1CC[C@]2(C)Cc3sc(Nc4ccccc4)nc3[C@@H](C)[C@@H]2[C@@H]1O)C(=O)N5CCCC5 InChIKey=CASUEGMMSOOFES-MNEADZCZSA-N InChI=1S/C26H35N3O2S/c1-16(24(31)29-13-7-8-14-29)19-11-12-26(3)15-20-22(17(2)21(26)23(19)30)28-25(32-20)27-18-9-5-4-6-10-18/h4-6,9-10,16-17,19,21,23,30H,7-8,11-15H2,1-3H3,(H,27,28)/t16-,17-,19-,21+,23+,26+/m0/s1 InChI=1/C26H35N3O2S/c1-16(24(31)29-13-7-8-14-29)19-11-12-26(3)15-20-22(17(2)21(26)23(19)30)28-25(32-20)27-18-9-5-4-6-10-18/h4-6,9-10,16-17,19,21,23,30H,7-8,11-15H2,1-3H3,(H,27,28)/t16-,17-,19-,21+,23+,26+/m0/s1/f/h27H C[C@@H]1c2c(sc(n2)Nc3ccccc3)C[C@@]4([C@H]1[C@@H]([C@@H](CC4)[C@H](C)C(=O)N5CCCC5)O)C C01[X(C26H35N3O2S1)] 195 C01 554 C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2([C@@H]([C@@H]1O)[C@H](C)c1c(C2)sc(n1)Nc1ccccc1)C C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2([C@@H]([C@@H]1O)[C@H](C)c1c(C2)sc(n1)N[C]1[CH][CH][CH][CH][CH]1)C C[C@@H]([C@@H]1CC[C@]2(C)Cc3sc(N[C]4[CH][CH][CH][CH][CH]4)nc3[C@@H](C)[C@@H]2[C@@H]1O)C(=O)N5CCCC5 InChIKey=CASUEGMMSOOFES-MNEADZCZSA-N InChI=1S/C26H35N3O2S/c1-16(24(31)29-13-7-8-14-29)19-11-12-26(3)15-20-22(17(2)21(26)23(19)30)28-25(32-20)27-18-9-5-4-6-10-18/h4-6,9-10,16-17,19,21,23,30H,7-8,11-15H2,1-3H3,(H,27,28)/t16-,17-,19-,21+,23+,26+/m0/s1 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4627.78 4629.37 4630.08 4634.11 4645.11 4648.26 4686.39 4690.10 4705.35 4707.42 4711.56 4714.50 4721.20 4736.61 4742.38 4748.34 4755.06 4761.05 4768.15 4832.57 4844.48 4859.64 4875.48 4887.54 5531.36 5924.91 0.622157 0.650585 0.651529 0.560849 -1714.940757 -1714.912329 -1714.911385 -1715.002064 3.041389D-04 MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE C[C@@H]1c2c(sc(n2)Nc3ccccc3)C[C@@]4([C@H]1[C@@H]([C@@H](CC4)[C@H](C)C(=O)N5CCCC5)O)C C43548391 RHF 6-31G(d) (6D,10F) C1 453.244999 |X|Y|Z| 120.485460 62.904287 37.026601 65.470086 27 6 7 16 23 3 1 |36.858105| |12.393090|36.858105| |9.066416|17.485255|0.500000| |7.559620|12.643787|0.252918|36.858105| |5.294584|7.590488|0.166256|14.259241|36.858105| |3.890410|4.758835|0.117333|7.530279|10.863633|388.023441| |4.520959|5.293685|0.136503|8.680103|7.806981|77.377287|36.858105| |6.248004|7.620114|0.195161|13.739090|8.222673|52.759088|14.909765|53.358707| |3.646486|3.968011|0.107008|5.444653|5.026783|49.334838|13.948408|11.220456|53.358707| |2.893421|3.140695|0.085051|4.080655|4.094028|42.465854|7.673141|7.139680|18.322233|36.858105| |2.652333|2.833474|0.074876|3.620680|3.822251|40.561884|5.969182|5.862739|10.650242|13.722567|36.858105| |2.227001|2.371081|0.063353|2.907535|3.093592|30.554688|4.234369|4.507959|7.008473|7.932356|13.752574|36.858105| |2.045282|2.188124|0.059656|2.628009|2.746675|25.878693|3.705621|4.078422|6.180473|6.851337|7.923666|13.755134|36.858105| |2.149550|2.319163|0.064389|2.786696|2.838955|26.312385|4.022535|4.442108|7.018071|7.925560|6.877219|7.957478|13.748173|36.858105| |2.525109|2.749396|0.076706|3.400668|3.378160|32.032527|5.427203|5.727285|10.687283|13.716140|7.937368|6.886515|7.931388|13.762343|36.858105| |4.535806|6.211472|0.138663|7.521044|12.698711|47.031456|4.851419|6.905924|4.930468|3.169966|3.079053|2.627518|2.361699|2.398732|2.733312|36.858105| |5.419717|7.253768|0.152389|6.600292|7.615128|32.526240|3.958096|6.087700|4.200263|2.670585|2.578566|2.228122|2.027027|2.068751|2.343548|12.312476|36.858105| |7.332594|12.225331|0.245966|7.510765|6.682403|29.507289|4.037405|6.771156|4.299694|2.657592|2.476805|2.132302|1.974291|2.060434|2.369502|7.420523|12.229336|36.858105| |7.402427|8.889903|0.198568|5.617740|4.985494|24.388021|3.414072|5.645049|3.782687|2.364141|2.223569|1.934951|1.796867|1.867337|2.124910|5.488735|8.919465|17.516057|0.500000| |5.027397|7.496042|0.213103|5.618438|5.262918|25.889153|3.530753|5.688629|3.894005|2.469094|2.274224|1.997011|1.889146|1.994173|2.274219|5.882411|7.339993|12.341890|0.252442|36.858105| |5.116408|7.078163|0.234079|5.023500|4.399440|23.002137|3.310766|5.439854|3.744607|2.361799|2.151230|1.894641|1.808902|1.926883|2.202348|4.536362|5.455060|8.972210|0.225656|17.533614|0.500000| |3.800150|4.856679|0.132852|4.019993|4.056701|21.468750|2.826019|4.325926|3.224037|2.111376|1.988583|1.782889|1.691807|1.763427|1.965111|4.931727|6.253489|7.441696|0.193916|12.434507|0.247390|36.858105| |3.842673|4.582408|0.124121|3.656888|3.590576|19.340658|2.599192|4.007996|3.002530|1.963211|1.858446|1.669072|1.581244|1.642665|1.824795|4.246665|5.688347|6.900212|0.213212|8.998111|0.220930|17.539945|0.500000| |3.434431|4.302110|0.110637|3.891508|4.285627|22.742862|2.817166|4.157070|3.199268|2.129988|2.049411|1.846112|1.733701|1.779387|1.962848|5.908050|7.322371|6.421172|0.160691|7.616470|0.154073|12.435107|0.246747|36.858105| |3.950236|4.820157|0.114414|4.375037|4.952968|25.057435|3.049990|4.519038|3.407275|2.244306|2.191097|1.949332|1.797043|1.824059|2.020615|7.512703|12.349521|7.543981|0.192093|6.514907|0.136346|7.540651|0.192334|12.459535|36.858105| |3.048315|3.746980|0.108558|3.263789|3.279927|18.622663|2.482326|3.722052|2.912957|1.941787|1.819682|1.656350|1.597014|1.675515|1.848656|3.764060|4.230696|4.845824|0.127956|7.481147|0.191405|12.334196|0.247875|7.436758|4.867385|36.858105| |2.895534|3.627336|0.105656|3.313128|3.406432|19.680225|2.582851|3.808183|3.030653|2.037841|1.903150|1.738243|1.684484|1.773111|1.953481|3.891604|4.074895|4.499928|0.113058|6.806898|0.167513|8.886697|0.175304|6.874678|4.547227|17.642842|0.500000| |2.539345|2.960579|0.083736|2.642161|2.696169|15.864955|2.097443|3.084760|2.507566|1.698600|1.615028|1.489035|1.437413|1.493575|1.623582|3.117910|3.489618|3.716014|0.102569|4.854293|0.126994|7.413435|0.191540|6.164486|4.245465|12.383094|0.247243|36.858105| |3.047186|3.633674|0.111076|3.074149|2.942290|17.053477|2.374386|3.619515|2.830408|1.873622|1.734778|1.578727|1.534648|1.626444|1.801738|3.169896|3.554561|4.350382|0.119463|6.437142|0.205831|7.569226|0.194929|4.888993|3.777964|12.478648|0.245230|7.751327|36.858105| |3.118636|3.551550|0.107756|2.915131|2.739654|15.887222|2.244578|3.454819|2.691860|1.773511|1.648477|1.498439|1.451674|1.533465|1.697804|2.928010|3.398411|4.225112|0.123927|5.693304|0.192277|6.549956|0.200969|4.362665|3.597460|8.024973|0.163152|6.422035|15.759342|73.516695| |2.772771|3.292421|0.103480|2.890712|2.752965|16.506123|2.331047|3.518131|2.822153|1.881436|1.724177|1.578014|1.552671|1.662553|1.839613|2.864549|3.052758|3.666167|0.097869|5.136585|0.164289|5.281996|0.132630|3.891831|3.129817|7.685521|0.205764|5.617808|14.121740|15.202598|53.358707| |2.572989|2.925094|0.092916|2.566923|2.397573|14.717454|2.132092|3.223310|2.633735|1.757847|1.605472|1.475151|1.460699|1.571044|1.734138|2.430084|2.589181|3.104199|0.085033|3.992647|0.131369|3.942536|0.105477|3.059399|2.603429|4.973277|0.131280|4.153574|7.842746|12.523382|17.750640|36.858105| |2.247189|2.547904|0.080218|2.329743|2.204361|13.969061|2.021901|2.994127|2.539517|1.720806|1.566930|1.454276|1.457423|1.577004|1.726720|2.208846|2.275317|2.638211|0.070898|3.283731|0.102521|3.212920|0.084090|2.649085|2.275827|3.979765|0.113160|3.463793|5.249933|8.151071|11.056876|12.469420|36.858105| |2.366159|2.772722|0.087792|2.600926|2.486595|15.834231|2.273199|3.338215|2.836524|1.926869|1.740174|1.612310|1.621943|1.767478|1.944376|2.475691|2.477315|2.854982|0.074252|3.634584|0.110253|3.454737|0.086501|2.887737|2.450239|4.288320|0.131672|3.545982|5.203241|7.494331|11.052105|7.958747|12.451496|36.858105| |2.566783|3.097678|0.096594|2.868398|2.796261|17.224302|2.400237|3.539393|2.921770|1.974769|1.801630|1.659704|1.647929|1.774719|1.955975|2.886075|2.918098|3.365254|0.086500|4.595450|0.135472|4.576929|0.109396|3.691443|2.963425|6.366063|0.211285|4.845750|7.546338|9.386433|17.727380|7.830785|7.931401|12.444811|36.858105| |4.237549|6.334351|0.188327|5.827186|5.820493|29.500998|3.907095|6.064111|4.269318|2.734729|2.483051|2.182192|2.082002|2.220399|2.546221|6.220700|6.094786|7.702617|0.158386|13.467551|0.259098|8.032349|0.160909|6.516295|5.372460|6.688205|0.208780|4.426305|5.625217|8.169269|6.997285|3.907571|3.422511|4.084731|5.269171|73.516695| |5.579163|5.996446|0.125483|5.612094|6.099992|29.708582|3.723623|5.648366|4.055588|2.582062|2.555563|2.201848|1.971903|1.982722|2.231263|7.622531|12.365908|7.464835|0.198547|4.848018|0.113839|4.369249|0.120793|4.902336|7.695076|3.238192|0.085865|2.833905|2.863937|5.049300|3.410468|2.209173|1.959441|2.090231|2.381805|7.376173|36.858105| |17.599070|8.693573|0.174531|6.705633|5.229933|27.677202|4.306905|7.525659|4.759221|2.825308|2.667591|2.239762|2.026665|2.093105|2.429730|4.640242|5.664588|6.567532|0.189715|4.401594|0.118721|3.540740|0.100412|3.364221|4.076244|2.819824|0.074470|2.410852|2.747107|4.998524|3.380885|2.296149|2.024985|2.127627|2.318938|6.680254|6.803025|0.500000| |17.544099|8.798642|0.218530|5.514898|4.229537|22.924075|3.639196|6.444581|4.167275|2.506836|2.309721|1.980457|1.841521|1.936526|2.241569|3.882212|4.807225|6.736116|0.218395|4.974225|0.149590|3.878146|0.113683|3.370200|3.782117|3.130751|0.080571|2.624269|3.225129|6.081352|3.934405|2.724744|2.329219|2.397239|2.596352|7.090664|4.880577|0.301551|0.500000| |17.588308|8.811102|0.218812|6.978367|4.810672|27.392080|4.877384|9.516653|5.529170|3.127085|2.809722|2.334405|2.149654|2.282467|2.720307|3.919594|4.304594|5.404751|0.146326|4.167262|0.120124|3.222292|0.089337|2.936810|3.278716|2.702732|0.072491|2.274225|2.745150|4.961375|3.503486|2.437539|2.168637|2.286697|2.419134|6.669642|4.421512|0.302039|0.301169|0.500000| |3.689369|3.904982|0.108948|5.033189|4.366090|37.670807|9.659174|10.660856|26.006978|9.208571|5.895931|4.323277|4.034927|4.750624|7.136560|3.250349|2.879475|3.048433|0.075565|2.790439|0.076280|2.299417|0.059952|2.235935|2.358003|2.095324|0.060196|1.801347|2.073809|3.528916|2.835933|1.971973|1.903852|2.113317|2.143768|5.372460|2.781591|0.095887|0.087020|0.118416|0.500000| |2.830427|2.981775|0.076885|3.845303|4.125206|43.992683|6.143166|6.094048|9.769311|8.925469|17.736726|8.904178|5.639260|4.956244|5.649517|3.312801|2.771179|2.609404|0.065216|2.337756|0.060979|2.046928|0.053411|2.129578|2.325617|1.845562|0.053215|1.641577|1.748696|2.970597|2.337729|1.593844|1.539876|1.698598|1.776147|4.463100|2.819513|0.080873|0.067728|0.082761|0.150771|0.500000| |2.084338|2.199059|0.058275|2.654681|2.859270|27.395749|3.638573|3.998279|5.683076|5.648845|8.941168|17.719428|8.913907|5.652207|4.959201|2.496885|2.131157|2.010454|0.051057|1.875432|0.049262|1.696424|0.044311|1.773711|1.884809|1.573791|0.045722|1.428320|1.492836|2.527159|2.019752|1.386468|1.363851|1.502804|1.554334|3.606558|2.134261|0.058942|0.051778|0.060126|0.099500|0.215349|0.500000| |1.835864|1.954350|0.053379|2.300486|2.410329|21.918507|3.074027|3.493474|4.919924|4.941116|5.639047|8.908673|17.722162|8.906756|5.642326|2.124716|1.842257|1.789167|0.045563|1.723880|0.045925|1.563441|0.040707|1.606484|1.657501|1.486569|0.043544|1.350274|1.428558|2.404920|1.970067|1.365695|1.368913|1.517323|1.537837|3.362223|1.796059|0.050668|0.046375|0.053267|0.091563|0.124026|0.214645|0.500000| |1.974715|2.127230|0.059747|2.496606|2.523616|22.392566|3.405859|3.918189|5.692368|5.644670|4.954280|5.651710|8.908963|17.718110|8.938626|2.173389|1.898926|1.906973|0.048293|1.872151|0.050610|1.667680|0.043205|1.672727|1.695787|1.604216|0.047242|1.436190|1.567407|2.624897|2.199649|1.537515|1.559280|1.747580|1.734344|3.707448|1.810688|0.053114|0.050007|0.058116|0.111922|0.107583|0.124143|0.214539|0.500000| |2.577244|2.821374|0.080712|3.425920|3.294918|29.399763|5.220142|5.846274|9.824151|8.922193|5.647950|4.958537|5.639989|8.905894|17.709999|2.667890|2.322184|2.405796|0.059956|2.344785|0.063911|2.007836|0.051740|1.972284|2.005651|1.905833|0.056015|1.661984|1.881370|3.145890|2.644215|1.844568|1.848329|2.091667|2.073530|4.694119|2.183696|0.067594|0.064000|0.077778|0.207930|0.124287|0.107621|0.124026|0.215292|0.500000| |3.881505|4.791748|0.109875|5.746813|8.918510|44.832999|4.379780|5.894307|4.629328|3.075492|3.109600|2.682938|2.372082|2.353780|2.631334|17.523102|8.826458|5.467600|0.124456|4.479542|0.101042|4.065802|0.100833|5.047290|6.645732|3.229449|0.092455|2.803757|2.737616|4.550591|3.391747|2.147131|1.973882|2.190749|2.519176|8.263632|7.391705|0.114972|0.093508|0.095359|0.083741|0.094889|0.072189|0.059639|0.058976|0.069998|0.500000| |3.856692|5.278748|0.128386|6.098973|8.969799|41.662354|4.347570|6.062656|4.574506|3.020941|2.905498|2.534723|2.323900|2.377708|2.682606|17.595278|8.726710|6.432443|0.134868|6.159356|0.128687|5.378141|0.121190|6.729844|7.145252|4.240141|0.127675|3.450084|3.429807|5.443486|4.252892|2.583514|2.368954|2.711163|3.239688|13.190053|5.551274|0.105741|0.095139|0.094745|0.084461|0.084487|0.066697|0.058460|0.060476|0.073371|0.303671|0.500000| |3.203055|4.094525|0.106916|3.948196|4.543140|24.622991|2.952717|4.255779|3.344576|2.251543|2.164378|1.956715|1.843249|1.893328|2.084072|6.365008|6.512090|5.618598|0.132788|6.837370|0.139902|8.845985|0.174048|17.553918|8.788934|6.846462|0.207298|5.569018|4.547761|6.911292|5.242676|2.997305|2.675767|3.013267|3.891724|12.797999|4.400552|0.086636|0.085369|0.077928|0.064320|0.062006|0.052075|0.047414|0.049430|0.058060|0.150138|0.232835|0.500000| |2.940691|3.495557|0.091240|3.195225|3.481396|19.514117|2.435518|3.545611|2.828881|1.909888|1.853788|1.691282|1.594814|1.628107|1.774530|4.571677|5.437246|4.833867|0.129590|5.521003|0.124006|8.803678|0.213530|17.566384|8.944459|6.791808|0.169802|6.939419|4.525724|7.345871|4.911959|2.882738|2.512486|2.685150|3.403644|8.667639|4.146993|0.080947|0.081460|0.070960|0.055132|0.053431|0.045462|0.041384|0.042753|0.049437|0.116217|0.140906|0.304052|0.500000| |3.910458|4.443049|0.106450|3.849483|4.109854|21.651757|2.739936|4.101982|3.119736|2.053743|2.008440|1.794852|1.658603|1.682324|1.856641|5.517724|8.878283|6.734029|0.202025|5.690381|0.128602|6.823665|0.205527|8.922748|17.499703|4.528357|0.112152|4.147718|3.670411|6.510557|4.069968|2.540272|2.193001|2.304446|2.749876|7.918061|7.410678|0.113925|0.108094|0.089268|0.060695|0.059308|0.048391|0.042672|0.043616|0.051322|0.141728|0.142274|0.173939|0.220543|0.500000| |3.400492|4.004044|0.096073|3.890045|4.608526|24.735469|2.902521|4.154454|3.281271|2.202880|2.191711|1.967606|1.802747|1.806894|1.978851|7.116329|8.840706|5.497235|0.140851|4.874441|0.107690|5.495859|0.141203|8.844317|17.510272|4.046464|0.109066|3.726792|3.193176|5.385690|3.718977|2.305388|2.060366|2.224025|2.651690|7.876701|6.953108|0.099584|0.089330|0.080769|0.062407|0.065005|0.053390|0.046402|0.046569|0.053964|0.204229|0.189897|0.213759|0.215432|0.304310|0.500000| |2.417154|2.817893|0.078044|2.581741|2.706377|16.048781|2.074102|3.006262|2.477651|1.692844|1.624880|1.504495|1.447581|1.493104|1.613398|3.214988|3.531907|3.546865|0.096415|4.423980|0.110739|6.615009|0.165369|6.744029|4.495917|8.733530|0.215457|17.588957|5.567934|8.486603|6.050273|3.421542|2.990159|3.137252|4.165781|7.438668|2.869734|0.064763|0.068316|0.060206|0.049010|0.045999|0.040282|0.037865|0.039802|0.045528|0.081789|0.100299|0.174786|0.238425|0.119442|0.113799|0.500000| |2.284450|2.630810|0.075560|2.381426|2.414659|14.578666|1.945842|2.842025|2.357382|1.608804|1.525938|1.416918|1.378899|1.437370|1.554232|2.717912|2.951916|3.158171|0.086831|4.044997|0.109886|5.432089|0.141871|4.647049|3.438850|8.767808|0.210542|17.538208|7.211368|10.501130|8.050518|4.443776|3.801066|3.806898|5.195929|6.874148|2.454685|0.060018|0.065584|0.057781|0.047267|0.042797|0.037727|0.036125|0.038649|0.044381|0.068526|0.083430|0.123716|0.140581|0.093205|0.086147|0.302889|0.500000| |2.553065|2.896218|0.081277|2.534229|2.552661|14.983951|2.001901|2.964846|2.400916|1.620168|1.545541|1.423163|1.369357|1.418944|1.542414|2.935632|3.400991|3.650038|0.105330|4.541650|0.122212|6.826014|0.208017|5.601617|4.165425|8.768225|0.173838|17.580578|6.958745|12.179124|6.696425|3.915435|3.190788|3.146068|4.053268|6.944896|2.844630|0.067729|0.074622|0.063107|0.048093|0.043855|0.038030|0.035755|0.037861|0.043793|0.073992|0.087412|0.132052|0.179259|0.119758|0.100758|0.300219|0.301836|0.500000| |2.832099|3.188800|0.104184|2.741532|2.495427|15.237859|2.257785|3.471981|2.789264|1.838749|1.666307|1.520197|1.503136|1.624608|1.809392|2.477600|2.658888|3.280599|0.090459|4.140806|0.143240|3.852048|0.104634|2.970759|2.601843|4.484715|0.117217|3.663386|6.777504|11.910951|12.337690|17.544891|8.752602|6.622664|6.208557|7.045696|2.286737|0.068946|0.084371|0.075075|0.058604|0.045976|0.039544|0.038868|0.044069|0.053777|0.060455|0.071994|0.080170|0.076504|0.070847|0.063582|0.085551|0.104132|0.098283|0.500000| |2.401632|2.665297|0.082762|2.330567|2.191278|13.483223|1.941588|2.922553|2.408306|1.614642|1.488480|1.373055|1.356110|1.448109|1.587736|2.247495|2.428836|2.868286|0.080492|3.581719|0.115777|3.700265|0.102849|2.906137|2.487789|4.639733|0.117625|4.189839|7.159192|13.106160|12.356790|17.629495|8.677121|5.719813|5.869865|6.024995|2.105285|0.060266|0.071463|0.062921|0.049991|0.041231|0.036051|0.035361|0.039365|0.046596|0.055806|0.065829|0.077711|0.077886|0.068654|0.061449|0.094661|0.127308|0.114113|0.302903|0.500000| |2.159342|2.403322|0.075952|2.207274|2.067880|13.276756|1.951940|2.889741|2.482943|1.683808|1.527294|1.420128|1.430144|1.554647|1.701242|2.040539|2.095772|2.427975|0.065603|2.925242|0.091688|2.803884|0.074431|2.349558|2.068686|3.308975|0.093258|2.920064|4.220766|6.932466|7.900473|8.714988|17.580068|8.672473|5.656015|5.384052|1.834311|0.053956|0.062291|0.058681|0.052180|0.041557|0.036935|0.037354|0.042908|0.050895|0.050945|0.060058|0.065716|0.061869|0.055667|0.052306|0.071308|0.087345|0.076337|0.218625|0.193080|0.500000| |2.031739|2.283333|0.070380|2.106299|2.023183|12.916191|1.844279|2.700815|2.325239|1.591291|1.462804|1.367504|1.371094|1.473528|1.597555|2.054764|2.115289|2.398098|0.064848|2.945024|0.089531|2.991199|0.078805|2.521580|2.154902|3.766981|0.107166|3.472506|4.761001|7.467464|9.241796|8.833001|17.538516|8.825107|6.830371|5.427733|1.833812|0.051536|0.058423|0.054294|0.048144|0.039986|0.035811|0.035972|0.040555|0.047161|0.051570|0.061392|0.070814|0.067767|0.057914|0.054722|0.083664|0.110062|0.088660|0.174243|0.220234|0.301752|0.500000| |2.555057|3.015054|0.097968|2.840649|2.661195|17.008026|2.500386|3.705102|3.126333|2.102816|1.870907|1.721017|1.736362|1.914358|2.132223|2.576924|2.556278|2.997068|0.077107|3.769746|0.116339|3.386972|0.084809|2.830425|2.457315|3.963059|0.120416|3.201039|4.746446|7.065789|9.222467|6.859561|8.830973|17.542313|8.839302|7.666789|2.160172|0.062965|0.071434|0.069450|0.065345|0.050471|0.044212|0.044833|0.052577|0.064568|0.062836|0.077684|0.082045|0.071813|0.063961|0.061755|0.079629|0.092104|0.080240|0.185763|0.138250|0.216607|0.174004|0.500000| |2.125637|2.467891|0.076684|2.372981|2.305117|15.038946|2.139123|3.081030|2.702257|1.865305|1.690837|1.583165|1.605856|1.750450|1.903778|2.296072|2.257835|2.530565|0.065695|3.126561|0.091903|3.017219|0.075659|2.625483|2.244312|3.682856|0.115135|3.183995|4.168860|6.163081|7.906911|5.664612|8.657672|17.579100|8.717365|6.327238|1.924142|0.053729|0.059289|0.057435|0.055720|0.045579|0.041034|0.041973|0.048461|0.056841|0.057192|0.070152|0.077177|0.068613|0.058458|0.057515|0.080477|0.096030|0.078293|0.135182|0.126195|0.196053|0.216091|0.301751|0.500000| |2.299402|2.732322|0.082764|2.569863|2.563739|16.018818|2.188684|3.173478|2.681928|1.838324|1.697542|1.579123|1.569375|1.676080|1.823841|2.701379|2.716074|3.013879|0.078157|3.978963|0.112598|4.231575|0.101874|3.589934|2.841008|6.081533|0.208665|5.165577|6.432039|8.311816|12.282395|6.178544|6.599788|8.782671|17.523890|7.988150|2.237048|0.058713|0.064461|0.060120|0.054271|0.046535|0.041342|0.040958|0.045618|0.053239|0.066687|0.084909|0.106416|0.095106|0.073333|0.071872|0.125801|0.165061|0.115893|0.135030|0.144583|0.134999|0.184711|0.174858|0.220348|0.500000| |2.802976|3.511711|0.109772|3.313375|3.263930|19.857476|2.734588|4.028789|3.273792|2.201346|1.996366|1.825509|1.806417|1.950875|2.169330|3.361093|3.308229|3.818206|0.094519|5.391387|0.151824|5.072991|0.115211|4.142510|3.295797|6.631931|0.244421|4.698802|6.804694|8.607058|12.285357|5.887387|5.730092|8.732550|17.639792|12.411549|2.626729|0.070087|0.077229|0.073119|0.066171|0.054602|0.047258|0.046521|0.052620|0.063859|0.079908|0.107545|0.126034|0.102173|0.082662|0.081559|0.116679|0.131134|0.108355|0.146000|0.128720|0.126642|0.138087|0.222794|0.194183|0.301040|0.500000| |4.639433|7.346436|0.230360|7.284433|6.801350|34.067955|4.707830|7.528854|4.993173|3.114536|2.760274|2.385423|2.274651|2.457201|2.881164|6.269844|5.739197|7.367371|0.149308|9.737212|0.223916|5.926240|0.131294|5.110734|4.659835|5.082952|0.154736|3.641482|4.662907|7.096662|6.109991|3.630196|3.257093|3.906516|4.673095|35.759285|4.098200|0.111471|0.116931|0.117026|0.098319|0.077042|0.060829|0.056756|0.063680|0.083784|0.129200|0.195252|0.154470|0.111197|0.109580|0.110178|0.096218|0.090878|0.091616|0.105295|0.087028|0.082062|0.079849|0.119616|0.095432|0.109903|0.168351|0.500000| |4.258089|4.533825|0.101065|4.518132|5.206076|27.784989|3.337782|4.822968|3.728313|2.443374|2.475323|2.164714|1.928756|1.912209|2.118214|6.820898|8.797664|5.463047|0.146143|4.039951|0.095568|3.875426|0.106548|4.619824|7.277949|2.974281|0.079731|2.689662|2.594903|4.547458|3.113926|2.019695|1.813255|1.934054|2.201250|6.429810|17.533821|0.139908|0.106431|0.099391|0.070396|0.076315|0.059102|0.049154|0.048527|0.057003|0.216278|0.144639|0.117510|0.113361|0.193957|0.217194|0.077370|0.064999|0.074855|0.057394|0.053804|0.047141|0.047616|0.055041|0.049996|0.058330|0.067090|0.098139|0.500000| |5.715408|5.549892|0.120089|4.725399|4.730960|24.487385|3.236442|4.994648|3.633071|2.318541|2.280567|1.985949|1.797518|1.815016|2.033014|5.506181|8.725705|6.974037|0.221258|4.633927|0.113509|4.308202|0.126772|4.585347|6.830142|3.193945|0.082402|2.839302|2.886717|5.242255|3.389818|2.222741|1.946537|2.039392|2.313896|6.711009|17.546666|0.198066|0.149358|0.122684|0.070685|0.069226|0.053539|0.045752|0.046423|0.055737|0.145639|0.122892|0.109863|0.111507|0.216435|0.164274|0.078761|0.068191|0.081253|0.064231|0.059535|0.050752|0.050674|0.058313|0.051882|0.060337|0.069661|0.102356|0.302026|0.500000| 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