Version2.1 2021-01-08T22:03:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1C[C@@H](CN(C1)C(=O)c2ccccc2NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C C59876573 RHF 6-31G(d) (6D,7F) C[C@@H]1C[C@@H](CN(C1)C(=O)c2ccccc2NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C C01[X(C24H34N4O3S1)] 192 C1 552 C[C@@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 C[C@@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 C[C@@H]1C[C@H](C)CN(C1)C(=O)c2ccccc2NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34 InChIKey=OVEZIRMWZWUPNS-OMDNBMQFSA-N InChI=1S/C24H34N4O3S/c1-15-11-16(2)13-28(12-15)23(30)17-7-3-4-8-18(17)25-21(29)10-6-5-9-20-22-19(14-32-20)26-24(31)27-22/h3-4,7-8,15-16,19-20,22H,5-6,9-14H2,1-2H3,(H,25,29)(H2,26,27,31)/t15-,16+,19-,20-,22-/m0/s1 InChI=1/C24H34N4O3S/c1-15-11-16(2)13-28(12-15)23(30)17-7-3-4-8-18(17)25-21(29)10-6-5-9-20-22-19(14-32-20)26-24(31)27-22/h3-4,7-8,15-16,19-20,22H,5-6,9-14H2,1-2H3,(H,25,29)(H2,26,27,31)/t15-,16+,19-,20-,22-/m0/s1/f/h25-27H C[C@@H]1C[C@@H](CN(C1)C(=O)c2ccccc2NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C C01[X(C24H34N4O3S1)] 192 C01 552 C[C@@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 C[C@@H]1C[C@H](C)CN(C1)C(=O)[C]1[CH][CH][CH][CH][C]1NC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 C[C@@H]1C[C@H](C)CN(C1)C(=O)[C]2[CH][CH][CH][CH][C]2NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34 InChIKey=OVEZIRMWZWUPNS-OMDNBMQFSA-N InChI=1S/C24H34N4O3S/c1-15-11-16(2)13-28(12-15)23(30)17-7-3-4-8-18(17)25-21(29)10-6-5-9-20-22-19(14-32-20)26-24(31)27-22/h3-4,7-8,15-16,19-20,22H,5-6,9-14H2,1-2H3,(H,25,29)(H2,26,27,31)/t15-,16+,19-,20-,22-/m0/s1 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5621.50 0.607530 0.637333 0.638277 0.539767 -1768.020083 -1767.990281 -1767.989337 -1768.087846 3.304008D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE C[C@@H]1C[C@@H](CN(C1)C(=O)c2ccccc2NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C C59876573 RHF 6-31G(d) (6D,10F) C1 458.235163 |X|Y|Z| 62.056286 33.683217 159.436731 69.331283 27 6 7 16 22 4 1 |36.858105| |12.460986|36.858105| |8.908875|17.491669|0.500000| |7.509827|12.428175|0.247390|36.858105| |4.878744|7.481291|0.188887|12.426786|36.858105| |4.507087|6.796849|0.202106|8.886271|17.507865|0.500000| |4.416425|6.535593|0.160453|7.618873|12.451557|0.249114|36.858105| |4.992114|7.705904|0.194554|6.597996|7.694301|0.194973|13.057654|53.358707| |7.562248|12.416897|0.248903|7.557654|6.488932|0.160086|7.810680|17.766820|36.858105| |4.007775|5.578774|0.162464|4.792229|5.687244|0.166614|7.878162|19.097171|7.634518|36.858105| |3.350684|4.493596|0.133840|4.237590|5.435962|0.169820|7.059819|11.550591|5.353657|15.723051|73.516695| |3.754855|4.716741|0.139655|3.806308|4.062627|0.118018|5.017365|10.538267|6.384492|12.665425|14.388336|36.858105| |3.605666|4.224117|0.116916|3.421502|3.503016|0.096817|4.371752|8.675880|5.997403|7.611141|9.753990|13.692623|36.858105| |3.121876|3.425912|0.096114|2.815770|2.820808|0.078633|3.325562|5.981670|4.409846|5.036254|7.266317|7.886856|13.807358|36.858105| |2.862420|3.115439|0.090929|2.579274|2.591757|0.074211|2.936857|5.111350|3.735938|4.457291|6.802945|6.875263|8.002650|13.748864|36.858105| |2.920869|3.279835|0.099864|2.719915|2.783238|0.082191|3.097618|5.395405|3.802620|5.017712|7.894227|7.906853|6.893550|7.908278|13.789069|36.858105| |3.292516|3.944399|0.123298|3.247782|3.430107|0.103658|3.888961|7.113882|4.667309|7.537905|11.488191|13.586523|7.897059|6.808289|7.917198|13.672259|36.858105| |3.092042|3.760153|0.122536|3.232075|3.522328|0.112155|3.792309|6.422423|4.094906|6.678376|12.165418|7.881281|5.167339|4.535780|5.146591|7.788966|13.572538|53.358707| |2.793934|3.251756|0.106844|2.841510|3.018271|0.096387|3.091400|4.951936|3.342156|4.595649|8.444397|5.164546|3.905055|3.678784|4.333478|6.299929|7.659290|19.021167|36.858105| |2.665538|2.976714|0.096441|2.568014|2.640389|0.082188|2.695415|4.316766|3.046670|3.827121|6.728710|4.498656|3.650322|3.643855|4.519837|6.561294|6.554797|11.438738|15.890964|73.516695| |2.548365|2.974275|0.097286|2.734740|2.978806|0.097566|2.943109|4.434031|2.946573|3.957323|7.777162|3.991448|3.131160|2.904683|3.246470|4.233719|5.044497|10.760968|12.522465|14.173382|36.858105| |2.203658|2.473721|0.079228|2.297661|2.442675|0.077908|2.389955|3.533706|2.423121|3.016570|5.765318|3.098527|2.575920|2.474377|2.792600|3.498485|3.802807|6.923515|7.499798|12.091021|12.483738|36.858105| |2.009139|2.246491|0.070960|2.154980|2.312976|0.073804|2.221299|3.172924|2.168651|2.637448|5.120609|2.607993|2.209813|2.104247|2.306908|2.770349|3.026458|5.248012|4.884659|7.857052|7.509042|12.454167|36.858105| |1.772673|1.935589|0.060191|1.858580|1.960786|0.061210|1.888438|2.688984|1.869936|2.194216|4.176573|2.201933|1.919829|1.862081|2.045732|2.397933|2.525395|4.147797|3.750701|6.497680|4.883888|7.502655|12.444955|36.858105| |1.628317|1.769108|0.054374|1.731406|1.830683|0.056785|1.747110|2.440027|1.697932|1.957105|3.735105|1.930234|1.702995|1.643625|1.774545|2.035674|2.152544|3.454722|2.966388|5.081465|3.733428|4.862093|7.422881|12.470002|36.858105| |1.694368|1.841411|0.056793|1.816363|1.916848|0.059778|1.801799|2.497010|1.743562|1.983504|3.779633|1.932921|1.700946|1.628995|1.744596|1.996137|2.133531|3.425901|2.912518|4.940783|3.683942|4.582585|6.930680|8.902291|17.527842|0.500000| |1.472196|1.574756|0.047933|1.538199|1.605964|0.049109|1.538270|2.150336|1.513872|1.707001|3.213616|1.700175|1.525437|1.488506|1.606795|1.814877|1.883316|2.941280|2.491856|4.390061|2.958456|3.729120|4.826216|7.393244|12.360781|0.248358|36.858105| |1.492178|1.583505|0.048279|1.543657|1.595454|0.048722|1.517312|2.123463|1.509313|1.672873|3.120953|1.668201|1.500899|1.466167|1.581077|1.779866|1.842807|2.859993|2.424857|4.316408|2.838545|3.543024|4.418170|6.372785|8.849651|0.228850|17.535771|0.500000| |1.348401|1.441125|0.043419|1.424532|1.494207|0.045371|1.432107|1.978883|1.388675|1.559426|2.946575|1.539384|1.391623|1.354168|1.446301|1.614180|1.679384|2.592019|2.137052|3.724238|2.503026|2.981751|3.752326|4.907020|7.533727|0.181277|12.187375|0.240092|36.858105| |1.312346|1.393808|0.041879|1.382599|1.441407|0.043610|1.373485|1.891025|1.335206|1.477389|2.775795|1.454825|1.321156|1.285098|1.366235|1.515234|1.575727|2.412848|1.974558|3.451978|2.284564|2.670533|3.279602|4.104938|5.856182|0.158273|8.643047|0.224804|17.553237|0.500000| |1.380558|1.491328|0.044880|1.489544|1.583664|0.048296|1.515701|2.073804|1.439007|1.637456|3.134049|1.595009|1.433421|1.381719|1.465469|1.639088|1.728607|2.689749|2.190281|3.732200|2.616256|3.033629|3.946255|4.746227|7.409918|0.188244|7.544852|0.161030|12.398085|0.245270|36.858105| |1.520705|1.666262|0.050584|1.653231|1.779483|0.054910|1.715817|2.364689|1.619812|1.901641|3.692141|1.853119|1.640730|1.575111|1.683243|1.914794|2.038230|3.251026|2.690296|4.501053|3.357378|4.010361|5.697704|6.770382|10.437238|0.222006|7.094389|0.146690|7.070237|0.147053|10.515614|388.023441| |1.257728|1.339341|0.040133|1.317766|1.380103|0.041606|1.337184|1.855846|1.303045|1.465828|2.761392|1.460299|1.330640|1.305235|1.398418|1.551673|1.595563|2.436289|2.000129|3.521739|2.291730|2.717727|3.259155|4.203146|5.494279|0.127998|8.130107|0.172467|13.222258|0.253204|7.656464|39.977197|53.358707| |1.279969|1.359663|0.040842|1.324250|1.380794|0.041610|1.345646|1.886359|1.328546|1.498065|2.808094|1.510513|1.377935|1.362240|1.473342|1.639765|1.667852|2.543147|2.114592|3.781909|2.397246|2.913188|3.396466|4.567331|5.392714|0.120694|8.100214|0.174844|8.098184|0.173357|5.463757|35.467775|19.019881|36.858105| |1.211491|1.281295|0.038308|1.243983|1.293251|0.038738|1.268659|1.783806|1.259401|1.415724|2.641591|1.437580|1.321866|1.316051|1.425840|1.575538|1.585993|2.390094|1.974247|3.563854|2.189521|2.620698|2.930697|3.759715|4.109550|0.095625|5.445654|0.129756|5.442627|0.128749|4.154382|27.938559|11.322553|15.927616|73.516695| |1.404421|1.496418|0.045356|1.449105|1.509146|0.045831|1.464475|2.064665|1.455289|1.647832|3.088507|1.665108|1.504916|1.484967|1.616560|1.821012|1.858430|2.872978|2.441523|4.383744|2.818950|3.584428|4.298060|6.498831|7.595056|0.156430|13.202771|0.253149|8.121123|0.170672|5.571170|40.521598|11.856219|13.936293|14.776091|53.358707| |3.757804|4.879308|0.125327|7.510589|12.465655|0.247424|7.556680|6.785481|4.390930|4.087915|7.391999|3.130143|2.799430|2.336302|2.165144|2.299425|2.737153|3.861974|2.513368|3.959784|2.554681|2.160935|2.106961|1.812137|1.727926|0.050475|1.524434|0.042016|1.439031|0.038750|1.537274|12.125632|1.807019|1.315932|2.190265|1.940723|36.858105| |17.527218|8.770431|0.173358|6.775957|4.524185|0.111033|4.249575|6.284545|6.829408|3.638412|5.454815|3.402613|3.401947|2.963213|2.660882|2.649524|2.939802|3.717308|2.461274|4.186778|2.260022|1.974175|1.816412|1.616902|1.496915|0.043140|1.361784|0.038261|1.256871|0.034033|1.288391|10.034765|1.602549|1.195862|2.019280|1.773789|3.660023|0.500000| |17.541020|8.760553|0.213400|5.464479|4.042192|0.107722|3.863625|6.270639|6.889285|3.911530|5.745161|3.919846|3.846510|3.427436|3.165165|3.189425|3.501084|4.357259|2.913751|5.055807|2.586099|2.250817|2.019493|1.791497|1.630208|0.046845|1.480164|0.041732|1.347698|0.036377|1.370192|10.751091|1.718153|1.292978|2.182477|1.935056|3.175825|0.301285|0.500000| |17.552398|8.788429|0.212655|6.862841|4.508242|0.119025|3.846867|5.602541|5.490972|3.453802|5.349838|3.224962|3.047181|2.700513|2.542727|2.631145|2.938432|3.880955|2.653144|4.521640|2.477610|2.175590|2.009010|1.782285|1.648632|0.048031|1.494222|0.042333|1.368801|0.037189|1.398506|10.871719|1.729095|1.288981|2.162748|1.927588|3.641617|0.301771|0.301819|0.500000| |6.980604|8.854214|0.174273|17.467529|8.854656|0.174091|6.824593|7.813801|6.760606|4.159514|6.546416|3.410612|3.213836|2.674299|2.411090|2.480438|2.888129|3.827855|2.485068|4.051842|2.382521|2.038227|1.921477|1.680960|1.576531|0.045757|1.414132|0.039408|1.318655|0.035639|1.376620|10.776266|1.669272|1.231494|2.065710|1.821777|6.979512|0.206701|0.141357|0.173925|0.500000| |6.838479|8.827329|0.215776|17.522635|8.808828|0.214598|5.523490|6.706518|5.502516|3.953490|6.472856|3.275665|2.941436|2.499206|2.343788|2.491640|2.924091|4.062410|2.715164|4.397713|2.672573|2.283703|2.172424|1.882478|1.767683|0.052018|1.572379|0.044104|1.456684|0.039477|1.521344|11.910481|1.822606|1.340748|2.231208|2.000434|6.824591|0.166694|0.140348|0.204792|0.303309|0.500000| |4.285473|5.807469|0.134373|6.897769|8.847499|0.174718|17.505070|12.555869|7.126549|5.942723|9.365797|4.303275|4.064335|3.157036|2.734151|2.792961|3.363102|4.349591|2.666536|4.234296|2.529015|2.108673|1.971512|1.705019|1.588810|0.045426|1.414262|0.038818|1.324436|0.035411|1.397028|11.125475|1.691180|1.249691|2.103727|1.839686|6.920143|0.121764|0.103432|0.102835|0.202780|0.140419|0.500000| |3.563182|4.887680|0.128812|5.522983|8.795379|0.215464|17.687128|12.517449|5.681422|7.656617|14.712241|4.819039|4.126757|3.182151|2.849402|3.038977|3.832836|5.225251|3.109689|4.748702|3.020729|2.437751|2.285177|1.931046|1.791594|0.051116|1.568674|0.042666|1.467214|0.038922|1.566156|12.703801|1.866926|1.376623|2.305708|2.033702|6.872516|0.095238|0.089423|0.088815|0.139946|0.123363|0.301787|0.500000| |6.920449|8.850311|0.217744|5.516857|4.874462|0.129107|5.660557|12.402296|17.692828|7.233258|8.881601|7.531379|7.518801|5.485308|4.540567|4.514985|5.425855|6.024357|3.592293|5.957783|3.033391|2.503799|2.195162|1.901623|1.707722|0.048404|1.528361|0.042367|1.392875|0.037129|1.432823|11.495692|1.786665|1.347777|2.278713|2.014478|3.551964|0.168870|0.206885|0.141404|0.139242|0.123685|0.145034|0.127464|0.500000| |6.959081|8.820539|0.174545|6.778756|5.708836|0.133104|7.057216|12.496792|17.514324|5.835005|7.869137|5.097256|5.308210|4.065524|3.360685|3.289818|3.841261|4.593259|2.825430|4.654690|2.531033|2.131548|1.933532|1.690924|1.550688|0.044172|1.394686|0.038630|1.289140|0.034535|1.335227|10.592586|1.653077|1.235760|2.090302|1.829602|4.219215|0.206471|0.172436|0.141292|0.198098|0.138948|0.213941|0.144866|0.303112|0.500000| |3.705895|4.338535|0.113657|3.593531|3.670641|0.097528|4.802427|9.455005|6.575329|7.112160|9.173262|8.946040|17.724761|8.946938|5.673443|4.963341|5.634785|5.708897|3.287438|5.446961|2.761519|2.302019|2.021032|1.767024|1.589010|0.044283|1.428856|0.039094|1.314411|0.034797|1.358294|10.963404|1.709759|1.293382|2.206556|1.911582|2.950880|0.100628|0.107108|0.085727|0.096622|0.084033|0.130273|0.123516|0.213369|0.176413|0.500000| |2.903888|3.084996|0.084549|2.582342|2.557141|0.070160|2.998049|5.176506|3.915146|4.108221|6.097972|5.622844|8.922748|17.728712|8.883556|5.629911|4.919406|4.916627|3.053860|5.438062|2.496712|2.177004|1.882704|1.689235|1.505978|0.041465|1.376309|0.037716|1.259854|0.033322|1.282719|10.299481|1.659274|1.270875|2.192032|1.873318|2.162186|0.078504|0.088501|0.070014|0.069597|0.063968|0.081412|0.079554|0.131430|0.105433|0.215301|0.500000| |2.554913|2.702792|0.078430|2.275089|2.267536|0.064710|2.524049|4.233112|3.141210|3.561286|5.614902|4.953108|5.672006|8.914254|17.715433|8.977897|5.647337|5.681627|3.766225|7.265696|2.906059|2.594704|2.158318|1.952054|1.696718|0.046111|1.554176|0.042540|1.399754|0.036767|1.407974|11.420933|1.855049|1.443487|2.500381|2.147254|1.932146|0.066610|0.078695|0.063959|0.059656|0.058202|0.066167|0.068237|0.103603|0.080372|0.124452|0.213931|0.500000| |2.635224|2.905068|0.089316|2.456644|2.509152|0.074801|2.715311|4.535759|3.220493|4.091436|6.775027|5.640872|4.971030|5.642623|8.938080|17.824338|8.934691|9.695176|6.915607|14.769171|4.504511|3.881301|2.976303|2.602556|2.168185|0.058460|1.938030|0.052735|1.705009|0.044260|1.716381|14.335890|2.240605|1.758146|3.010269|2.675298|2.111527|0.066341|0.079734|0.067400|0.062234|0.063735|0.068241|0.074553|0.103211|0.078360|0.107841|0.124053|0.216720|0.500000| |3.073452|3.862599|0.124831|3.450720|3.960764|0.129576|4.307338|7.078168|4.201658|7.772249|16.768648|7.471851|4.871782|4.076163|4.325356|5.831158|9.393576|26.006504|9.388377|10.833811|7.679660|4.800940|3.872240|3.003029|2.552579|0.070849|2.149592|0.057744|1.916236|0.049538|2.019933|17.457471|2.437549|1.848136|3.073080|2.826238|3.173468|0.075944|0.085902|0.078914|0.082656|0.087830|0.097777|0.125549|0.119927|0.096163|0.115087|0.092416|0.099145|0.146708|0.500000| |2.396090|2.826925|0.090280|2.661677|2.991159|0.097736|3.013893|4.452867|2.859831|4.049327|8.450657|3.957154|3.103820|2.844320|3.121611|3.991675|4.832994|10.082382|8.904182|10.740880|17.529804|8.808309|6.831824|4.530094|3.617581|0.098015|2.852528|0.074555|2.475660|0.062339|2.652297|24.732409|3.104945|2.361406|3.842152|3.711553|2.603757|0.059874|0.066771|0.064283|0.064929|0.071524|0.071709|0.088523|0.080560|0.068936|0.076793|0.068181|0.077406|0.115057|0.228573|0.500000| |2.795105|3.315856|0.111480|3.078916|3.363248|0.113953|3.194744|4.737648|3.163452|4.112024|8.047721|3.938485|3.076590|2.792276|3.031778|3.835166|4.690029|9.498393|8.988876|11.302744|17.500334|8.817050|6.883599|4.535432|3.649534|0.104611|2.885343|0.078233|2.462448|0.063303|2.590736|23.079940|3.015670|2.280723|3.679786|3.637466|2.853030|0.067944|0.077678|0.076401|0.072997|0.084817|0.075203|0.090005|0.088762|0.074624|0.076608|0.067054|0.075034|0.109139|0.201857|0.304303|0.500000| |2.268192|2.499455|0.080625|2.288730|2.373365|0.075159|2.299565|3.427756|2.413679|2.870852|5.315890|2.995593|2.524375|2.453837|2.789865|3.469521|3.671875|6.394654|6.957589|12.895623|8.895952|17.571174|8.827877|6.856453|4.549383|0.122091|3.671180|0.100784|2.884642|0.073011|2.842085|25.306560|3.576049|2.845474|4.573991|4.812822|2.089555|0.056052|0.065046|0.062692|0.056395|0.063714|0.056739|0.064043|0.069967|0.058947|0.062601|0.060188|0.072694|0.108254|0.118945|0.173627|0.210724|0.500000| |2.036640|2.266829|0.071348|2.100590|2.231653|0.069933|2.228589|3.311224|2.267129|2.844452|5.422031|2.994164|2.531288|2.479238|2.844729|3.561486|3.720773|6.531469|6.856952|11.924648|8.886411|17.543857|8.839777|6.904263|4.522021|0.112733|3.623165|0.093680|2.919787|0.071847|2.939886|27.733008|3.742359|3.017135|4.909419|5.008536|1.986938|0.051205|0.058137|0.055418|0.052406|0.057478|0.055171|0.063499|0.065594|0.055947|0.062545|0.060783|0.074448|0.113079|0.123455|0.211724|0.173535|0.304891|0.500000| |1.932575|2.181997|0.068148|2.120983|2.321874|0.074019|2.252354|3.179234|2.132903|2.662450|5.297919|2.594235|2.196310|2.076486|2.254940|2.691487|2.972284|5.153790|4.548474|7.071908|6.919030|8.845100|17.529441|8.841793|6.735429|0.170676|4.439004|0.108937|3.688227|0.088435|4.112427|45.961598|4.415485|3.307637|5.100292|5.456693|2.137974|0.048921|0.053582|0.053340|0.052755|0.058952|0.055463|0.065440|0.059490|0.053077|0.056093|0.051683|0.058397|0.079304|0.109271|0.206612|0.172692|0.173415|0.210538|0.500000| |2.121799|2.379419|0.075823|2.307009|2.472217|0.079902|2.316439|3.269719|2.246544|2.673246|5.173954|2.586887|2.186235|2.057522|2.223760|2.646155|2.938413|5.065041|4.561790|7.250628|6.874905|8.845779|17.498381|8.847914|6.884187|0.211433|4.558689|0.121435|3.634058|0.091002|3.867888|36.988840|4.165411|3.099043|4.745678|5.237256|2.258192|0.052972|0.058720|0.059592|0.056653|0.065513|0.056858|0.065755|0.062522|0.055461|0.055989|0.051229|0.057474|0.077484|0.105549|0.169428|0.207040|0.211537|0.173462|0.303913|0.500000| |1.805462|1.947429|0.060786|1.852368|1.922708|0.059788|1.842364|2.642218|1.866177|2.137945|3.998515|2.167727|1.901408|1.857338|2.050640|2.396686|2.492487|4.036586|3.693525|6.654333|4.575824|6.975345|8.881266|17.482287|8.942915|0.212659|6.969076|0.191608|4.496890|0.109550|4.085089|36.136178|5.296347|4.333436|6.465767|8.526182|1.767165|0.045566|0.051021|0.050702|0.046535|0.052384|0.046363|0.051745|0.053046|0.046850|0.048530|0.046886|0.054660|0.072744|0.079664|0.112405|0.120670|0.209655|0.174528|0.173837|0.211070|0.500000| |1.678447|1.828122|0.056384|1.747656|1.845728|0.057086|1.804922|2.583865|1.792183|2.122485|4.038380|2.158686|1.896885|1.859037|2.058729|2.408322|2.493032|4.046033|3.643004|6.423758|4.539160|6.833584|8.839021|17.570591|8.881600|0.174468|6.700703|0.153305|4.683685|0.106658|4.459403|45.471130|5.929385|5.028734|7.516719|9.731996|1.706188|0.042769|0.047337|0.046532|0.044203|0.048748|0.045487|0.051473|0.050908|0.045220|0.048355|0.046947|0.055005|0.073451|0.080684|0.120542|0.111818|0.168881|0.206187|0.212488|0.173561|0.302972|0.500000| |1.407403|1.520285|0.045749|1.530574|1.626984|0.049701|1.541099|2.092697|1.454611|1.639794|3.137032|1.582899|1.421071|1.362116|1.435766|1.602395|1.701908|2.646765|2.139464|3.624232|2.559814|2.905795|3.775554|4.314671|6.524717|0.193332|6.259717|0.149777|8.791201|0.226777|17.570389|56.347039|7.692945|4.328629|6.117524|6.170577|1.590324|0.036471|0.038607|0.039810|0.039251|0.043714|0.039449|0.044149|0.040019|0.037508|0.037554|0.035142|0.038188|0.046292|0.055520|0.071777|0.071951|0.076286|0.076484|0.108154|0.107841|0.106117|0.108148|0.500000| |1.295950|1.398332|0.041793|1.400962|1.492911|0.045223|1.437781|1.960482|1.357517|1.545363|2.960462|1.505004|1.361054|1.313993|1.388687|1.542427|1.621453|2.499484|2.009413|3.424766|2.361801|2.680817|3.354128|3.884877|5.367033|0.136701|5.584127|0.125265|8.743532|0.194727|17.619400|56.295121|9.949138|5.066663|7.201925|6.426195|1.458166|0.033771|0.035700|0.036364|0.036165|0.039606|0.036986|0.041413|0.037506|0.035166|0.035951|0.034018|0.037150|0.044730|0.052266|0.067322|0.064597|0.069559|0.073351|0.099026|0.090428|0.094177|0.105701|0.301252|0.500000| |1.182905|1.255981|0.037435|1.239886|1.297546|0.038914|1.259150|1.741446|1.223951|1.369381|2.575592|1.362442|1.248767|1.226014|1.307777|1.440484|1.478479|2.238083|1.816795|3.198142|2.056758|2.387280|2.802421|3.454065|4.321458|0.105583|5.779624|0.134772|8.836235|0.212772|6.363713|32.818746|26.098537|9.324888|13.156466|8.320975|1.255026|0.030884|0.032938|0.033186|0.032194|0.034987|0.032640|0.035892|0.034198|0.031828|0.032873|0.031939|0.035478|0.042272|0.045790|0.057161|0.055430|0.064211|0.067179|0.078219|0.073881|0.089882|0.099268|0.139062|0.189908|0.500000| 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