Version2.1 2020-12-14T14:14:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(=O)c2ccc(c(c2o1)CN3CC[NH+](CC3)[C@H]4CCS(=O)(=O)C4)O)c5ccccc5 C22095217 RHF 6-31G(d) (6D,7F) Cc1c(c(=O)c2ccc(c(c2o1)CN3CC[NH+](CC3)[C@H]4CCS(=O)(=O)C4)O)c5ccccc5 C01[X(C25H29N2O5S1)] 180 C1 557 Oc1ccc2c(c1CN1CC[NH+](CC1)[C@H]1CCS(=O)(=O)C1)oc(c(c2=O)c1ccccc1)C Oc1ccc2c(c1CN1CC[NH+](CC1)[C@H]1CCS(=O)(=O)C1)oc(c(c2=O)c1ccccc1)C CC1=C(C(=O)c2ccc(O)c(CN3CC[NH+](CC3)[C@H]4CC[S](=O)(=O)C4)c2O1)c5ccccc5 InChIKey=HJPCNQDJMOMWJE-IBGZPJMESA-O InChI=1S/C25H28N2O5S/c1-17-23(18-5-3-2-4-6-18)24(29)20-7-8-22(28)21(25(20)32-17)15-26-10-12-27(13-11-26)19-9-14-33(30,31)16-19/h2-8,19,28H,9-16H2,1H3/p+1/t19-/m0/s1 InChI=1/C25H28N2O5S/c1-17-23(18-5-3-2-4-6-18)24(29)20-7-8-22(28)21(25(20)32-17)15-26-10-12-27(13-11-26)19-9-14-33(30,31)16-19/h2-8,19,28H,9-16H2,1H3/p+1/t19-/m0/s1/fC25H29N2O5S/h27H/q+1 Cc1c(c(=O)c2ccc(c(c2o1)CN3CC[NH+](CC3)[C@H]4CCS(=O)(=O)C4)O)c5ccccc5 C01[X(C25H29N2O5S1)] 180 C01 557 Oc1ccc2c(c1CN1CC[NH+](CC1)[C@H]1CCS(=O)(=O)C1)oc(c(c2=O)c1ccccc1)C CC1=C([C]2[CH][CH][CH][CH][CH]2)C(=O)[C]2[C]([C]([C]([CH][CH]2)O)CN2CC[N@H](CC2)[C@H]2CC[S@](=O)([O])C2)O1 CC1=C([C]2[CH][CH][CH][CH][CH]2)C(=O)[C]3[CH][CH][C](O)[C](CN4CC[NH](CC4)[C@H]5CC[S]([O])(=O)C5)[C]3O1 InChIKey=PLWMIDZDQJGLSZ-IBGZPJMESA-N InChI=1S/C25H29N2O5S/c1-17-23(18-5-3-2-4-6-18)24(29)20-7-8-22(28)21(25(20)32-17)15-26-10-12-27(13-11-26)19-9-14-33(30,31)16-19/h2-8,19,27-28H,9-16H2,1H3/t19-/m0/s1 InChI=1/C25H29N2O5S/c1-17-23(18-5-3-2-4-6-18)24(29)20-7-8-22(28)21(25(20)32-17)15-26-10-12-27(13-11-26)19-9-14-33(30,31)16-19/h2-8,19,27-28H,9-16H2,1H3/t19-/m0/s1 3498.9940927158 -1844.0240281 1-A 25694.6281 124 433 557 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Cc1c(c(=O)c2ccc(c(c2o1)CN3CC[NH+](CC3)[C@H]4CCS(=O)(=O)C4)O)c5ccccc5 C22095217 RHF 6-31G(d) (6D,10F) C1 469.179719 |X|Y|Z| 58.073935 34.329267 145.407806 66.182703 28 6 7 8 16 24 2 1 1 |36.858105| |12.722544|36.858105| |7.490998|14.263413|36.858105| |4.921359|7.833870|12.858960|36.858105| |3.895258|5.393135|8.069348|15.903572|73.516695| |4.491866|6.891105|7.640363|12.912318|14.473670|36.858105| |3.385087|4.582118|5.020922|7.616497|11.938471|13.662819|36.858105| |3.003184|3.833071|3.891214|5.065442|8.051719|7.920888|13.886729|36.858105| |3.216715|4.020048|3.777839|4.485783|6.784187|6.873440|7.969444|13.641466|36.858105| |4.099420|5.276070|4.543391|5.040538|7.097631|7.817268|6.802563|7.830330|13.714381|36.858105| |5.261033|8.054054|6.800956|7.687166|9.485558|13.774809|7.979523|6.908108|8.021407|13.644087|36.858105| |8.174231|13.990121|8.026293|6.776155|8.450143|8.033864|5.249883|4.639896|5.301589|8.141363|14.129087|73.516695| |3.977115|4.559223|3.735289|3.790810|5.541573|4.975530|4.421891|5.000258|7.580397|12.630182|7.472204|11.992519|36.858105| |3.499585|3.840283|3.224382|3.259263|4.910856|4.075880|3.753151|4.246274|5.943287|7.690350|5.492735|9.251291|12.982911|53.358707| |3.007551|3.126810|2.662483|2.644285|4.087385|3.150069|2.959887|3.318050|4.340870|5.079688|3.979225|7.021500|7.851554|18.009853|36.858105| |2.566803|2.649948|2.323326|2.326139|3.676993|2.707396|2.603542|2.904391|3.597707|3.923072|3.240786|5.675627|5.077108|10.682694|12.529865|36.858105| |2.691388|2.739415|2.396663|2.365585|3.741863|2.692031|2.540507|2.740802|3.274580|3.644749|3.188666|5.746564|4.424413|9.009528|7.640324|12.620670|53.358707| |2.820631|2.784017|2.400900|2.317141|3.651989|2.591839|2.401705|2.543507|3.013004|3.437462|3.088343|5.771497|4.239409|8.086701|7.106167|9.308971|25.672099|0.500000| |3.093716|3.254034|2.834770|2.822581|4.403469|3.261879|3.031006|3.233727|3.871124|4.419048|3.913669|6.971203|5.066615|10.694965|6.673910|7.715604|17.166112|0.258363|36.858105| |3.916063|4.213077|3.474640|3.404473|5.101032|4.075603|3.598800|3.806527|4.816849|6.244654|5.380148|9.870478|7.801512|18.002141|8.049105|6.668916|10.399010|0.197464|12.536919|36.858105| |2.266369|2.301348|2.069976|2.059843|3.328883|2.298316|2.213257|2.376163|2.731359|2.911581|2.613445|4.659256|3.324499|6.070736|4.947790|7.582140|17.226413|0.257938|7.607884|4.955467|36.858105| |2.157619|2.235082|2.038839|2.066676|3.363051|2.327867|2.286254|2.489447|2.846010|2.943280|2.611600|4.535951|3.272044|5.942197|4.641416|6.984599|12.481827|0.182160|7.085154|4.668639|17.632196|0.500000| |2.248417|2.250284|2.038754|2.004479|3.262026|2.179961|2.076263|2.170229|2.425200|2.604876|2.436362|4.427113|2.872542|4.963422|3.793681|4.899895|10.249436|0.196908|6.339787|4.328674|12.286960|0.242936|36.858105| |1.916046|1.906364|1.752023|1.726175|2.847453|1.855008|1.786672|1.864895|2.050389|2.162653|2.035799|3.685478|2.358121|3.900785|3.036037|3.818231|6.767898|0.134704|4.217694|3.218001|7.541758|0.177126|12.315046|36.858105| |1.762665|1.764976|1.624013|1.614376|2.667129|1.754615|1.712565|1.818791|2.016477|2.094296|1.929443|3.447232|2.316383|3.826574|3.114389|4.084924|6.494325|0.125446|3.762757|2.970734|7.371574|0.185096|7.108916|10.641929|388.023441| |1.675180|1.704636|1.586208|1.600254|2.661771|1.749583|1.734978|1.859992|2.046120|2.078290|1.902050|3.335740|2.256491|3.710519|2.950343|3.851581|5.828397|0.106832|3.578968|2.827399|6.352453|0.194458|5.755286|7.286004|94.534582|73.516695| |1.625269|1.609409|1.483513|1.465120|2.429420|1.577338|1.536095|1.621396|1.786534|1.858998|1.727361|3.110588|2.057320|3.302925|2.710432|3.381676|5.121118|0.104051|3.041821|2.533316|5.006981|0.125345|5.012248|7.122736|95.076977|13.555724|73.516695| |2.012804|2.015369|1.820508|1.803248|2.935774|1.992732|1.929111|2.071948|2.364946|2.497776|2.248041|4.029113|2.877858|4.974743|4.329092|6.385726|10.258263|0.193890|4.916934|3.794141|12.462765|0.247099|7.703255|7.237089|75.629796|13.126399|12.742165|36.858105| |2.731728|3.219629|3.005171|3.407371|5.358120|4.628491|5.252221|7.975977|14.167918|8.169643|5.303493|7.249755|6.894571|8.184906|4.737736|3.976166|4.634145|0.085358|3.823726|4.489677|2.862855|0.084211|2.460389|2.098838|15.080227|3.868366|3.331167|2.516010|73.516695| |6.233045|7.670815|12.750065|7.464656|11.839244|4.931105|3.777037|3.046996|2.926590|3.351151|4.436402|9.024170|2.911772|3.539009|2.232291|1.992624|2.816528|0.058039|2.390028|2.804775|1.827759|0.049866|1.828505|1.598554|10.503529|2.559693|2.423011|1.629380|4.332222|36.858105| |4.747771|5.421617|7.607346|5.952808|10.771944|4.152829|3.382715|2.760812|2.615594|2.908327|3.685508|7.175580|2.549433|3.209986|2.040971|1.865681|2.674723|0.054908|2.276358|2.584476|1.766626|0.048377|1.795111|1.579012|10.275559|2.512480|2.369568|1.570847|3.935618|13.694387|36.858105| |3.831623|4.029619|5.042759|4.242860|7.936255|3.218860|2.753999|2.318322|2.204783|2.410032|2.923599|5.640980|2.166316|2.754993|1.791217|1.654371|2.367890|0.048812|1.975474|2.197331|1.585306|0.043347|1.620247|1.446067|9.429698|2.303361|2.193143|1.426985|3.397756|7.908771|13.772190|36.858105| |3.685759|3.713949|4.450104|3.703902|6.786732|2.903279|2.503883|2.141359|2.055822|2.249305|2.690751|5.237438|2.053015|2.584027|1.702517|1.563214|2.215002|0.045914|1.817942|2.029427|1.481570|0.040367|1.505027|1.352174|8.892969|2.165466|2.083082|1.348710|3.199508|6.836027|7.933817|13.737707|36.858105| |4.255163|4.238738|5.035887|3.995276|7.035413|3.132467|2.650721|2.265684|2.195154|2.433745|2.941668|5.831914|2.225875|2.743347|1.806780|1.633865|2.290962|0.047641|1.872142|2.128266|1.515535|0.041181|1.523004|1.363120|9.031431|2.193662|2.117254|1.383852|3.399263|7.899144|6.880527|7.950154|13.765660|36.858105| |5.642732|5.975162|7.600628|5.328135|8.798898|3.975733|3.198743|2.674628|2.600963|2.952133|3.725063|7.588899|2.649488|3.193101|2.064882|1.837056|2.566213|0.053275|2.123034|2.475306|1.672087|0.045434|1.665962|1.473122|9.768567|2.372568|2.275164|1.514262|3.939707|13.711038|7.955635|6.889882|7.940580|13.742174|36.858105| |17.551800|8.949372|5.951831|4.284776|6.163925|4.079879|3.169405|2.879414|3.131613|3.985151|4.864267|12.795117|4.025577|4.675622|3.033354|2.540567|3.539725|0.076199|2.898750|3.670262|2.183497|0.057583|2.135668|1.836472|12.194553|2.889756|2.832496|1.971858|4.808902|5.126385|3.935513|3.331567|3.342400|3.975651|5.152210|0.500000| |17.553308|8.985557|5.841574|4.275905|6.148030|4.111068|3.186166|2.903971|3.177199|4.079069|4.970378|13.427410|4.143076|5.210197|3.296593|2.828368|4.148728|0.090316|3.539350|4.531989|2.530615|0.065980|2.536670|2.128177|13.732487|3.228900|3.151208|2.222766|4.876609|4.917495|4.132394|3.407096|3.211072|3.533196|4.367051|0.302021|0.500000| |17.678651|8.891408|7.023166|4.560452|6.745106|3.920532|3.047863|2.678879|2.789899|3.396250|4.259423|10.358964|3.257097|4.007106|2.583493|2.265303|3.254508|0.069496|2.719786|3.286262|2.062792|0.054699|2.077621|1.795623|11.692110|2.781641|2.712635|1.846139|4.265016|7.174508|5.502548|4.533122|4.429977|5.161969|6.767030|0.300459|0.300163|0.500000| |3.032759|3.981619|4.600452|7.093720|13.349164|8.970715|17.750370|8.929712|5.647228|4.918131|5.683814|7.543846|3.540117|4.236683|2.543434|2.289401|3.066956|0.059391|2.650333|3.038301|2.005080|0.057661|1.904133|1.660128|11.301437|2.874048|2.547550|1.762557|7.500934|3.686088|3.404661|2.806944|2.537475|2.647607|3.133018|0.078758|0.078866|0.078144|0.500000| |2.569652|3.161744|3.246357|4.113395|6.937684|5.630493|8.935760|17.707853|8.876685|5.602599|4.969525|6.536266|4.089138|4.958388|2.978500|2.684756|3.425884|0.064560|2.902150|3.266458|2.234661|0.065786|2.038420|1.776716|12.444496|3.218545|2.779628|1.969963|12.834222|2.658412|2.459272|2.109310|1.957343|2.052537|2.371679|0.068903|0.069349|0.064815|0.213917|0.500000| |4.744923|5.187851|3.994078|3.811047|5.498627|4.721190|3.972149|4.188214|5.639850|8.902253|7.145000|13.968028|17.535485|12.254504|6.804735|4.515296|5.605566|0.115626|4.599352|7.084371|3.114099|0.082943|2.764658|2.283356|15.780497|3.778033|3.553475|2.741973|8.940398|3.113807|2.670606|2.269951|2.173634|2.390021|2.873998|0.138700|0.138077|0.103929|0.090526|0.096536|0.500000| |3.371111|3.775499|3.219096|3.313274|4.990167|4.255995|4.017901|4.737584|7.140500|9.005575|5.747758|9.110108|17.629543|12.603809|7.547350|4.892558|5.428682|0.105701|4.251972|5.716924|3.097416|0.085516|2.635994|2.215784|15.882544|3.895037|3.559624|2.774684|13.590163|2.589504|2.279534|1.970423|1.888874|2.052003|2.409700|0.097144|0.095632|0.078803|0.091324|0.112234|0.302472|0.500000| |3.183122|3.175624|2.652919|2.558346|3.944210|2.964689|2.719976|2.951630|3.729881|4.492873|3.747735|7.007500|6.809307|12.217090|17.382593|8.846330|9.274528|0.206318|5.788753|7.132176|4.548890|0.113023|3.669391|2.971156|21.388622|4.912619|4.774744|4.156484|6.920963|2.248196|2.043769|1.803386|1.727538|1.843462|2.103447|0.090814|0.098459|0.075533|0.065579|0.073493|0.193245|0.178499|0.500000| |2.739557|2.873217|2.490456|2.508147|3.913842|3.003419|2.892935|3.320287|4.379596|4.854038|3.718955|6.375689|7.310968|12.509847|17.605590|9.039625|7.612709|0.144728|4.982129|5.759158|4.130531|0.111652|3.219446|2.691094|20.214420|4.881227|4.479818|3.831576|9.086621|2.101692|1.914965|1.691647|1.619991|1.726520|1.966710|0.077960|0.081174|0.065979|0.069300|0.084165|0.171249|0.237143|0.301998|0.500000| |2.335111|2.366975|2.088778|2.075925|3.312816|2.372394|2.288100|2.528528|3.055954|3.291367|2.790116|4.950900|4.174489|7.703963|8.838074|17.663376|12.310266|0.225411|5.618255|4.994111|6.997532|0.171474|4.610331|3.830180|31.113982|7.096238|6.630097|7.349013|6.013949|1.821280|1.709193|1.532732|1.459419|1.525732|1.700027|0.064943|0.071102|0.057865|0.056643|0.065778|0.107556|0.116011|0.216277|0.214443|0.500000| |2.384300|2.516119|2.251427|2.305408|3.679598|2.712826|2.682930|3.065667|3.789071|3.910274|3.177934|5.367287|4.767831|9.628311|8.843067|17.634580|12.392498|0.181866|7.009546|5.846600|7.064212|0.214680|4.586453|3.671493|28.560318|7.201153|5.801067|5.835910|7.765531|1.930427|1.818829|1.612747|1.517993|1.579508|1.772154|0.065135|0.071838|0.058930|0.065683|0.080060|0.112895|0.130685|0.173291|0.217375|0.299439|0.500000| |3.109171|3.204795|2.814086|2.755978|4.335741|3.074038|2.822938|2.916353|3.347053|3.805554|3.584414|6.579167|4.161170|7.705240|4.992344|5.617703|12.302257|0.224876|17.664862|8.832962|7.040917|0.175084|7.339385|4.608030|26.826271|6.259278|5.440599|4.612115|5.734525|2.414664|2.340031|2.037421|1.860153|1.894799|2.131658|0.079424|0.100594|0.077184|0.069787|0.073100|0.109947|0.097981|0.130190|0.109471|0.126416|0.143215|0.500000| |2.799206|3.029087|2.719517|2.799151|4.427682|3.287541|3.171904|3.472650|4.123921|4.416879|3.823170|6.452761|4.765062|9.657307|5.863068|7.022497|12.398686|0.181864|17.634924|8.847377|7.083840|0.218510|5.726685|4.027706|26.328727|6.631884|5.242390|4.635927|7.412510|2.294129|2.202617|1.913131|1.753529|1.796819|2.030954|0.072907|0.086377|0.069166|0.077225|0.087902|0.114734|0.114516|0.133959|0.131232|0.143318|0.210544|0.299531|0.500000| |4.302942|4.944023|4.096917|4.083040|5.985441|4.993652|4.258793|4.354144|5.359627|7.144648|6.681977|11.862188|7.242319|12.501447|5.759680|4.977125|7.611696|0.144837|9.038847|17.632575|4.137181|0.112445|3.823966|2.919659|18.896742|4.581754|4.058594|3.223550|8.183446|3.194636|2.948747|2.447470|2.221524|2.318246|2.731974|0.107543|0.136539|0.099931|0.098166|0.100814|0.181794|0.145452|0.144542|0.128169|0.109464|0.130780|0.214564|0.216895|0.500000| |4.438357|4.445448|3.523611|3.282146|4.900413|3.755820|3.225233|3.302007|4.038171|5.295315|4.941531|10.116060|6.779437|12.234217|7.147971|5.797719|9.287090|0.206745|8.842163|17.388308|4.558450|0.113625|4.182259|3.152856|20.422686|4.723452|4.453516|3.655740|6.657829|2.885300|2.635817|2.253007|2.098398|2.214743|2.576388|0.116197|0.151118|0.101591|0.076883|0.079277|0.202225|0.142558|0.211631|0.144677|0.130552|0.133898|0.215482|0.173249|0.302320|0.500000| |2.288770|2.323710|2.127742|2.109463|3.446690|2.288958|2.186724|2.271476|2.505406|2.671141|2.526703|4.547819|2.857397|4.894304|3.542228|4.382559|8.737248|0.160762|6.550990|4.380814|8.714027|0.220486|17.640085|8.762458|39.240378|9.047670|7.258809|5.619432|4.459076|1.905716|1.890013|1.698153|1.561507|1.568801|1.716829|0.059574|0.071546|0.058996|0.055896|0.059273|0.075720|0.072044|0.093435|0.084072|0.110232|0.118895|0.229355|0.174548|0.112401|0.114202|0.500000| |2.428464|2.378870|2.126785|2.052560|3.317111|2.210503|2.068218|2.134866|2.391504|2.628648|2.495262|4.650364|2.933486|5.009116|3.839445|4.697321|9.927412|0.223579|6.238691|4.519267|8.783330|0.174566|17.551068|8.834748|40.176740|7.962711|7.998028|6.506924|4.249728|1.913060|1.872290|1.690291|1.573600|1.595834|1.746797|0.063992|0.077451|0.062261|0.052571|0.055161|0.080396|0.073950|0.107682|0.089119|0.123802|0.115995|0.212654|0.143660|0.109626|0.128774|0.302673|0.500000| |1.807886|1.813153|1.687056|1.674448|2.785885|1.790445|1.738126|1.808897|1.961404|2.043321|1.936961|3.476846|2.182212|3.554923|2.699712|3.312126|5.647662|0.109870|3.768856|2.920272|5.879546|0.155460|8.638986|17.631774|57.639139|12.684508|10.505699|5.435886|3.558383|1.547748|1.542297|1.417025|1.319901|1.322173|1.422530|0.047902|0.055340|0.047402|0.045206|0.048201|0.058403|0.057041|0.072591|0.067397|0.090811|0.091259|0.115090|0.103816|0.075564|0.078482|0.225244|0.180330|0.500000| |1.885305|1.847899|1.694726|1.651831|2.726431|1.756554|1.679115|1.737314|1.903387|2.024424|1.926866|3.534400|2.213151|3.590686|2.809455|3.408544|5.897677|0.124469|3.710809|2.965488|5.809577|0.134544|8.671150|17.636969|57.347061|9.779903|12.550765|6.026526|3.438826|1.560200|1.542357|1.421591|1.335057|1.345308|1.446628|0.050345|0.058339|0.049367|0.043464|0.045872|0.060475|0.057817|0.078375|0.069454|0.096650|0.088976|0.113650|0.095933|0.074965|0.083071|0.183018|0.229530|0.300445|0.500000| |2.059400|2.025847|1.814546|1.773444|2.877574|1.943677|1.859484|1.977814|2.258694|2.426393|2.206269|4.027606|2.834444|4.807320|4.275413|5.861397|9.359106|0.206278|4.541629|3.695649|8.694334|0.172966|6.752952|6.425257|57.115765|9.721018|12.266078|17.561911|4.224541|1.631814|1.567184|1.428372|1.357174|1.397060|1.526500|0.056427|0.063578|0.052472|0.047191|0.051918|0.076849|0.075822|0.120980|0.104471|0.196479|0.138406|0.120861|0.113376|0.086565|0.103377|0.137048|0.183802|0.132740|0.168868|0.500000| |1.918367|1.937166|1.757304|1.755776|2.865061|1.955821|1.915290|2.084780|2.391922|2.485918|2.202335|3.894564|2.878047|4.928135|4.415489|6.644201|8.758051|0.160006|4.397333|3.554862|8.606983|0.216001|5.533314|5.317815|57.529033|12.401235|11.040552|17.640179|4.630661|1.569622|1.506418|1.369613|1.299418|1.338064|1.465129|0.052617|0.058138|0.048803|0.048590|0.055509|0.075182|0.078988|0.114625|0.113538|0.232246|0.178714|0.110225|0.119799|0.084344|0.093602|0.124489|0.133789|0.121985|0.127117|0.298076|0.500000| |2.451392|2.872847|2.754322|3.168656|5.131258|4.183716|5.029230|7.844117|10.019186|6.070535|4.459444|6.214748|5.142673|6.363947|3.912731|3.454214|4.086218|0.075432|3.322072|3.726988|2.612164|0.077654|2.267690|1.966990|14.215885|3.690304|3.154823|2.325058|35.711121|2.277327|2.090952|1.821188|1.716754|1.814299|2.081397|0.067356|0.067896|0.060786|0.117211|0.233221|0.112298|0.157113|0.091545|0.117629|0.083690|0.106779|0.079635|0.101795|0.106894|0.088240|0.064482|0.060770|0.052592|0.050354|0.060736|0.067230|0.500000| |4.391997|5.185006|7.047825|6.177830|11.413884|4.371904|3.595276|2.913091|2.733633|3.013153|3.810849|7.213013|2.608807|3.342526|2.102367|1.941195|2.810937|0.057254|2.432333|2.732327|1.863846|0.051312|1.905011|1.666463|10.764006|2.643557|2.465070|1.639410|4.093762|8.910178|17.727873|8.935654|5.647844|4.956872|5.653379|0.100239|0.111579|0.134022|0.101045|0.072047|0.074659|0.064295|0.057909|0.054455|0.049066|0.052880|0.070036|0.065893|0.088216|0.076294|0.056359|0.054929|0.045437|0.044979|0.045145|0.043536|0.060470|0.500000| |3.265118|3.410316|4.110110|3.658947|6.971513|2.878897|2.529754|2.155803|2.043858|2.204756|2.619696|4.970658|1.992779|2.574022|1.683194|1.574248|2.265902|0.046593|1.886734|2.060675|1.534184|0.042055|1.580551|1.419397|9.218051|2.257244|2.145556|1.381705|3.181892|5.636123|8.935671|17.720446|8.909527|5.650618|4.961030|0.079559|0.083495|0.104592|0.072260|0.055106|0.057452|0.050548|0.046919|0.044138|0.040607|0.042791|0.054442|0.051019|0.063551|0.058381|0.046231|0.045662|0.038864|0.038788|0.038328|0.036775|0.047634|0.215925|0.500000| |3.107772|3.080823|3.556895|3.078505|5.684462|2.500248|2.206401|1.917124|1.843419|1.996049|2.336096|4.499035|1.841985|2.338160|1.557696|1.441295|2.041241|0.042346|1.659285|1.829175|1.377142|0.037527|1.403246|1.271646|8.376452|2.040138|1.971526|1.261919|2.905780|4.933053|5.644423|8.906950|17.720923|8.915980|5.645609|0.079911|0.077070|0.101717|0.062388|0.049217|0.053963|0.047476|0.043949|0.041310|0.037600|0.038923|0.047240|0.044548|0.055069|0.052511|0.040366|0.040706|0.034565|0.034984|0.035308|0.033795|0.043529|0.124218|0.214723|0.500000| |3.757108|3.642289|4.105458|3.385684|5.950099|2.771956|2.392149|2.082600|2.030954|2.238070|2.643958|5.209651|2.077661|2.557825|1.706718|1.543462|2.149856|0.044827|1.734203|1.962367|1.426542|0.038709|1.429322|1.287858|8.584731|2.082501|2.023726|1.314240|3.185075|5.632364|4.956166|5.648156|8.913343|17.719982|8.922807|0.102019|0.087884|0.123351|0.066282|0.052842|0.062139|0.053847|0.048588|0.045603|0.040315|0.041394|0.048563|0.046215|0.058564|0.056879|0.040655|0.041600|0.034657|0.035409|0.036967|0.035403|0.047365|0.107595|0.124129|0.214702|0.500000| |5.891713|6.141041|7.035891|5.084879|8.077480|4.025064|3.231370|2.740698|2.704082|3.101512|3.889473|8.015747|2.809841|3.308679|2.149516|1.884936|2.598910|0.054087|2.129876|2.515892|1.680302|0.045572|1.656303|1.464249|9.793483|2.374700|2.285612|1.530331|4.101900|8.912990|5.651206|4.960192|5.650641|8.926155|17.708191|0.163233|0.122877|0.182886|0.086406|0.067217|0.085977|0.071562|0.061159|0.057298|0.048568|0.050325|0.058695|0.056425|0.076186|0.073065|0.047053|0.048258|0.039087|0.039940|0.042977|0.041320|0.059940|0.124189|0.107652|0.124225|0.215756|0.500000| 1841.893647 -11298.375427 4333.387124 -219.923782 -5343.018438 3498.994345 -1844.024094 2.001157 40B3AFFFFFFFFFCA 44E0C1C2E9B13273 44613A5B69944034 42971001ED620003 3C3622D6EFFFFFFC 44854D72C4987D2B