Version2.1 2021-01-08T08:07:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C)CCN(c1nc2c(s1)cccc2SC)C(=O)C3CCN(CC3)S(=O)(=O)c4cccs4 C38845216 RHF 6-31G(d) (6D,7F) C[NH+](C)CCN(c1nc2c(s1)cccc2SC)C(=O)C3CCN(CC3)S(=O)(=O)c4cccs4 C01[X(C22H29N4O3S4)] 180 C1 569 CSc1cccc2c1nc(s2)N(C(=O)C1CCN(CC1)S(=O)(=O)c1cccs1)CC[NH+](C)C CSc1cccc2c1nc(s2)N(C(=O)C1CCN(CC1)S(=O)(=O)c1cccs1)CC[NH+](C)C CSc1cccc2sc(nc12)N(CC[NH+](C)C)C(=O)C3CCN(CC3)[S](=O)(=O)c4sccc4 InChIKey=QVMMNBSWUABOJL-UHFFFAOYSA-O InChI=1S/C22H28N4O3S4/c1-24(2)13-14-26(22-23-20-17(30-3)6-4-7-18(20)32-22)21(27)16-9-11-25(12-10-16)33(28,29)19-8-5-15-31-19/h4-8,15-16H,9-14H2,1-3H3/p+1 InChI=1/C22H28N4O3S4/c1-24(2)13-14-26(22-23-20-17(30-3)6-4-7-18(20)32-22)21(27)16-9-11-25(12-10-16)33(28,29)19-8-5-15-31-19/h4-8,15-16H,9-14H2,1-3H3/p+1/fC22H29N4O3S4/h24H/q+1 C[NH+](C)CCN(c1nc2c(s1)cccc2SC)C(=O)C3CCN(CC3)S(=O)(=O)c4cccs4 C01[X(C22H29N4O3S4)] 180 C01 569 CSc1cccc2c1nc(s2)N(C(=O)C1CCN(CC1)S(=O)(=O)c1cccs1)CC[NH+](C)C CS[C]1[CH][CH][CH][C]2[C]1N=C(S2)N(C(=O)[C@@H]1CCN(CC1)S(=O)(=O)C1=[CH][CH]=[CH]S1)CC[NH](C)C CS[C]1[CH][CH][CH][C]2SC(=N[C]12)N(CC[NH](C)C)C(=O)C3CCN(CC3)[S](=O)(=O)c4sccc4 InChIKey=VNLOXHYLNLNJSF-UHFFFAOYSA-N InChI=1S/C22H29N4O3S4/c1-24(2)13-14-26(22-23-20-17(30-3)6-4-7-18(20)32-22)21(27)16-9-11-25(12-10-16)33(28,29)19-8-5-15-31-19/h4-8,15-16,24H,9-14H2,1-3H3 InChI=1/C22H29N4O3S4/c1-24(2)13-14-26(22-23-20-17(30-3)6-4-7-18(20)32-22)21(27)16-9-11-25(12-10-16)33(28,29)19-8-5-15-31-19/h4-8,15-16,24H,9-14H2,1-3H3 4309.7904109432 -2882.1423345 1-A 22047.2116 138 431 569 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.27388 -92.09251 -92.05123 -92.03903 -20.67804 -20.61427 -20.61346 -15.83270 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C[NH+](C)CCN(c1nc2c(s1)cccc2SC)C(=O)C3CCN(CC3)S(=O)(=O)c4cccs4 C38845216 RHF 6-31G(d) (6D,10F) C1 525.112253 |X|Y|Z| 72.076797 53.378297 118.332798 76.928709 23 6 7 16 17 3 3 |36.858105| |12.796574|53.358707| |9.414006|25.464976|0.500000| |7.744342|17.422914|0.257540|36.858105| |7.657624|17.230375|0.260111|7.679857|36.858105| |5.862473|10.251865|0.211537|5.033680|12.449628|36.858105| |4.495506|8.040944|0.189112|4.480093|7.579951|13.024347|53.358707| |3.541977|6.164917|0.134871|3.846875|5.900766|7.796549|18.371719|36.858105| |3.329686|5.942359|0.126874|4.029540|5.480717|5.902649|11.079765|15.067411|53.358707| |2.714956|4.568889|0.095400|3.199720|4.089433|4.357677|7.331514|8.708464|18.695107|36.858105| |2.496849|4.036943|0.084405|2.743910|3.622271|4.118262|6.791263|7.842655|11.076133|13.701478|36.858105| |2.823635|4.514941|0.096227|2.885254|4.148100|5.391492|9.409758|10.916564|10.067275|7.428536|10.898392|388.023441| |2.124792|3.338641|0.069184|2.315403|2.906053|3.203626|4.993217|4.993184|7.115372|7.838481|13.708489|47.758541|36.858105| |1.976965|3.107705|0.063954|2.221051|2.648384|2.790765|4.270920|4.087898|6.279718|6.934278|8.084355|33.483635|13.850597|36.858105| |2.077741|3.327825|0.068270|2.441005|2.811492|2.856558|4.386723|4.186271|7.044077|8.023512|6.940167|30.285501|7.851463|13.610078|36.858105| |2.413019|3.998348|0.082347|2.946046|3.422439|3.427149|5.415540|5.410086|10.513693|13.577637|7.840937|34.579226|6.697074|7.860959|13.801978|36.858105| |2.513550|4.241299|0.086721|3.338776|3.453784|3.221766|4.952437|4.441348|8.562118|7.005062|4.725855|25.900155|4.128479|4.646682|6.781242|10.747979|388.023441| |2.057461|3.319647|0.067409|2.627950|2.638286|2.482017|3.694143|3.180296|5.456176|4.610411|3.639924|20.236552|3.529742|4.278476|6.222288|6.779148|74.952667|36.858105| |4.442019|7.808097|0.209632|4.470592|5.903381|7.786935|18.901662|7.845459|8.437125|4.403157|4.017409|36.008542|3.122639|2.758782|2.869343|3.493387|23.969315|2.563045|36.858105| |5.473269|9.404620|0.293870|5.064471|6.001395|7.083512|11.630198|5.462848|6.420959|3.546454|3.243002|27.828555|2.627681|2.374285|2.482009|2.965389|21.192624|2.329769|15.720133|73.516695| |3.322134|5.498489|0.136944|3.500416|4.109122|4.966329|10.402559|6.534822|7.654750|4.357386|4.036487|34.460468|3.201423|2.842631|2.942853|3.528395|23.851697|2.595276|12.590887|14.228749|36.858105| |2.990624|4.603948|0.112670|2.926787|3.343704|4.039634|7.290659|4.557467|5.345910|3.305117|3.233545|27.916929|2.706076|2.409504|2.434564|2.785255|18.824646|2.159421|7.642152|11.559473|12.381619|36.858105| |2.434949|3.699058|0.087277|2.460402|2.694682|3.111681|5.353236|3.686228|4.571680|2.997079|2.959465|24.057508|2.571783|2.329461|2.344170|2.616715|17.680622|2.089111|4.953517|7.785533|7.567477|12.498689|36.858105| |2.367539|3.640581|0.085853|2.509834|2.589394|2.853904|4.827674|3.383091|4.442625|2.916379|2.769217|21.266433|2.427240|2.265910|2.341627|2.634183|18.520928|2.199891|4.481274|7.298837|6.616169|7.810746|12.972419|53.358707| |2.490803|3.973855|0.093592|2.800376|2.853252|3.080446|5.366508|3.914853|5.405784|3.503702|3.181736|23.444613|2.737942|2.590126|2.752099|3.187413|22.874085|2.636772|4.943042|7.697079|7.572521|6.540372|7.757117|17.715815|36.858105| |3.097694|5.184509|0.127710|3.575919|3.671776|3.971708|7.329327|5.030930|6.903150|4.055311|3.542398|26.978623|2.909919|2.712504|2.919279|3.536120|25.812847|2.806744|7.600081|11.256280|12.389867|7.573500|6.526705|10.617718|12.492099|36.858105| |1.978862|2.973822|0.068233|2.093484|2.117403|2.287252|3.699734|2.655047|3.549854|2.426230|2.333673|17.408423|2.120775|2.017016|2.073962|2.265473|16.016466|1.983196|3.224484|5.410816|4.217554|4.815690|7.189221|15.648636|7.227940|4.821451|388.023441| |1.824463|2.760301|0.062350|1.966547|2.000952|2.147177|3.472324|2.587067|3.530617|2.489330|2.399444|17.308114|2.220859|2.141474|2.203000|2.370306|16.627102|2.096568|2.916404|4.787758|3.767342|3.976493|5.536734|10.226240|6.557791|4.314660|94.659353|73.516695| |1.883617|2.769852|0.063254|1.923484|1.974650|2.157365|3.423868|2.421611|3.166111|2.171725|2.134828|16.280545|1.955973|1.842151|1.863829|2.012018|14.032819|1.751538|2.949985|5.030802|3.710566|4.571435|6.793864|10.499052|5.025700|3.882541|94.923600|13.668172|73.516695| |1.958595|2.927218|0.066952|2.112386|2.029781|2.125705|3.347995|2.371929|3.238295|2.195123|2.066561|15.186792|1.882715|1.821445|1.906312|2.092781|15.372005|1.925190|2.918640|5.107103|3.575445|3.865620|4.806749|9.741203|5.848045|4.355672|77.430501|13.245568|13.010390|36.858105| |1.800455|2.692740|0.060644|1.982323|1.874098|1.930514|3.003303|2.166626|3.016698|2.079009|1.944007|13.944319|1.794331|1.764906|1.863222|2.028013|15.129840|1.938438|2.549038|4.448942|3.034195|3.126014|3.716567|6.923529|4.816360|3.713539|49.382179|11.569071|9.149496|14.115981|36.858105| |1.758549|2.600921|0.058201|1.940025|1.783354|1.808566|2.756023|1.967054|2.745391|1.883575|1.754269|12.591064|1.622171|1.602697|1.698854|1.848896|14.015397|1.811815|2.325749|4.157848|2.659794|2.724865|3.072413|5.384015|3.815133|3.214419|33.952906|7.783617|7.096629|8.255481|13.312451|36.858105| |1.868259|2.733387|0.061623|2.025851|1.844575|1.871166|2.829360|1.977550|2.726723|1.843655|1.720986|12.565369|1.578879|1.545826|1.632065|1.787125|13.516483|1.725226|2.421094|4.430672|2.727841|2.858482|3.150878|5.431390|3.697961|3.255016|32.458600|6.876141|7.174246|7.782051|8.260793|14.137798|36.858105| |2.065451|3.025449|0.069589|2.179993|2.041161|2.118067|3.255330|2.234059|3.016334|2.010086|1.891480|14.145001|1.714014|1.650773|1.726572|1.904237|14.119102|1.761693|2.871940|5.273715|3.332744|3.694710|4.186320|7.488685|4.546043|3.934415|44.214237|8.070833|9.990747|11.003316|7.413551|7.427454|11.074505|388.023441| |17.637083|12.318637|0.181446|7.074636|6.883039|5.055207|5.264402|3.215026|4.190389|2.574782|2.375368|18.731595|2.048150|1.920624|2.019534|2.323577|17.262169|2.016536|3.678345|7.556388|2.865236|2.585090|2.158494|2.866742|2.223661|2.701784|12.737916|2.970690|3.035086|1.776110|1.651386|1.618725|1.707513|13.226070|0.500000| |17.650697|12.339216|0.226767|7.099841|5.590119|4.624806|5.287818|3.122550|4.055831|2.462971|2.262810|17.952129|1.948053|1.828695|1.927622|2.224126|16.712269|1.950653|4.078363|9.228874|3.173532|2.924930|2.407568|3.233306|2.474268|3.048546|14.219010|3.247110|3.389831|2.014416|1.850325|1.828534|1.965825|15.418502|0.298975|0.500000| |17.665626|12.298650|0.224482|5.620756|7.108766|6.507959|6.478279|3.630435|4.455767|2.684699|2.531649|21.069336|2.151253|1.971970|2.039163|2.346352|16.883406|1.952106|4.645331|10.197151|3.421486|3.161532|2.530050|3.265807|2.477876|3.058365|14.206922|3.258301|3.423431|1.947277|1.773882|1.720218|1.830254|14.587371|0.298838|0.300712|0.500000| |6.946113|12.318748|0.180084|17.634188|7.024588|4.537087|5.306244|3.485274|4.995007|3.024411|2.618695|19.292209|2.243198|2.168248|2.380786|2.832907|22.775707|2.582707|3.718917|7.212955|2.996115|2.551288|2.183211|3.010681|2.449191|3.021649|13.369722|3.173380|3.093001|1.891746|1.792196|1.758872|1.825097|13.808734|0.209153|0.170291|0.142541|0.500000| |5.629928|12.331405|0.224047|17.648531|7.043069|4.902587|6.445857|4.247756|6.424394|3.658534|3.016103|21.896617|2.517411|2.439193|2.741678|3.405569|28.750657|3.048874|4.747347|9.021192|3.814322|3.064415|2.600963|3.671838|3.112133|4.053103|15.875254|3.764366|3.584129|2.250877|2.124547|2.062732|2.128253|16.210728|0.143190|0.145741|0.126290|0.299057|0.500000| |7.220828|12.327972|0.220353|17.647783|5.591753|4.165815|5.219434|3.292443|4.640688|2.781526|2.423922|18.139607|2.078831|2.003935|2.190747|2.596658|20.968042|2.394822|4.040150|8.467453|3.278772|2.831037|2.404654|3.384141|2.734662|3.436116|14.890188|3.462230|3.429444|2.156770|2.025675|2.012464|2.128032|16.178535|0.178813|0.219892|0.145819|0.299157|0.299399|0.500000| |5.669119|12.331801|0.208360|7.654361|17.645334|8.870420|9.829254|6.544697|9.327566|4.896084|4.064649|30.974902|3.205080|2.966187|3.242937|4.107310|30.238824|3.093654|5.594723|9.426644|4.130786|3.239488|2.674485|3.562240|2.972018|3.834577|15.254050|3.656952|3.504133|2.058675|1.920229|1.819976|1.860706|14.484132|0.148477|0.126880|0.142638|0.198132|0.229447|0.149964|0.500000| |7.497477|12.371705|0.184065|6.526585|17.613137|8.801817|7.593083|4.729373|6.050193|3.581578|3.270198|26.215753|2.708237|2.484230|2.609508|3.084808|21.995979|2.451720|4.496135|8.208692|3.360763|2.856288|2.359735|3.080786|2.456721|3.038772|13.463963|3.198207|3.171473|1.822365|1.695240|1.624101|1.678829|13.081150|0.220013|0.147831|0.195101|0.191570|0.157836|0.138120|0.301429|0.500000| |4.745411|7.597229|0.149345|4.160544|8.980632|17.623687|12.580741|7.525765|7.663238|4.471234|4.459963|43.150964|3.475899|2.961059|2.958553|3.475655|22.274868|2.453224|5.779783|9.119975|4.211094|3.534193|2.829326|3.506404|2.766322|3.412569|15.004027|3.573001|3.562687|1.946263|1.782349|1.666985|1.711351|13.654266|0.122285|0.106273|0.146044|0.110102|0.113622|0.096994|0.206337|0.225039|0.500000| |6.438760|9.612923|0.207638|4.599144|8.748726|17.640545|12.500827|5.779067|6.180309|3.555857|3.454999|32.142028|2.792405|2.448000|2.478750|2.893979|19.570288|2.189146|7.255870|13.397449|4.706702|4.142525|3.128610|3.841645|2.941226|3.726354|16.141285|3.728281|3.873753|2.113624|1.902049|1.791119|1.874697|15.249597|0.146953|0.141162|0.228044|0.114804|0.119156|0.111415|0.173848|0.201427|0.304072|0.500000| |1.991630|3.066754|0.063579|2.107214|2.647755|2.963821|4.530866|4.301517|5.765084|5.590543|8.833026|43.886838|17.747679|8.899948|5.597742|4.862306|23.818449|2.963348|2.862046|4.332855|2.938671|2.571766|2.462898|3.113535|2.513626|2.633555|14.384305|3.758486|3.368642|1.784255|1.695855|1.534442|1.497225|11.589042|0.053430|0.050841|0.056592|0.056883|0.062658|0.053014|0.079061|0.069464|0.090351|0.073359|0.500000| |1.783603|2.758339|0.056623|1.980633|2.316256|2.427791|3.645587|3.340509|4.983097|4.985151|5.706869|27.396297|8.981600|17.730532|8.925890|5.634420|27.405746|3.827806|2.396298|3.729660|2.476354|2.154224|2.110697|2.799559|2.313998|2.379814|13.276912|3.544842|3.055287|1.691997|1.650513|1.503850|1.446347|10.909410|0.048387|0.046109|0.049484|0.054039|0.059820|0.050140|0.070989|0.061141|0.071527|0.060194|0.214886|0.500000| |1.915651|3.035278|0.061997|2.266833|2.510808|2.503438|3.771325|3.433967|5.655488|5.669572|4.992744|24.434055|5.644465|8.958673|17.778547|8.924422|45.144444|7.372204|2.523782|3.963465|2.592687|2.185193|2.129520|2.935537|2.521104|2.630873|13.842906|3.700698|3.109638|1.813753|1.795795|1.648049|1.573982|11.683307|0.052050|0.049789|0.051911|0.061881|0.070544|0.057101|0.079856|0.065444|0.071447|0.061222|0.124207|0.218676|0.500000| |1.907021|3.044308|0.062602|2.371028|2.402824|2.315449|3.496186|3.014835|5.055092|4.357666|3.568757|19.717701|3.566325|4.428085|6.356407|6.283051|55.909296|17.622471|2.456934|3.949101|2.555596|2.148164|2.119311|3.052637|2.693218|2.776561|14.573360|3.923316|3.201550|1.975195|2.004376|1.855458|1.746914|12.650609|0.051594|0.050509|0.050718|0.064103|0.075535|0.060762|0.076759|0.061899|0.063619|0.057310|0.083658|0.112468|0.222693|0.500000| |2.036755|3.272659|0.066265|2.655486|2.537666|2.345528|3.449053|2.873697|4.831823|3.839637|3.092747|18.020764|2.963296|3.446790|4.610989|5.101138|57.845427|17.611311|2.436402|4.012605|2.453919|2.060824|1.995365|2.895561|2.541322|2.704838|13.739445|3.610672|3.029484|1.912665|1.943899|1.839906|1.750638|12.544450|0.055612|0.054156|0.053166|0.072717|0.085864|0.068023|0.082131|0.065720|0.063664|0.058020|0.070809|0.087375|0.144793|0.301132|0.500000| |1.986466|3.167001|0.063497|2.489777|2.553928|2.398386|3.493618|3.008575|5.045842|4.348039|3.562824|19.679605|3.562336|4.425344|6.354365|6.271383|55.871468|17.621549|2.381365|3.865697|2.374126|2.000700|1.925455|2.718102|2.343602|2.501191|12.852625|3.378699|2.876377|1.747864|1.752127|1.645506|1.576757|11.476596|0.054686|0.051994|0.052518|0.069225|0.078769|0.062746|0.082815|0.067151|0.066967|0.058776|0.083575|0.112455|0.223238|0.297966|0.301044|0.500000| |2.980463|4.894129|0.115869|3.165795|3.867529|4.745444|10.121007|7.713718|8.751707|5.181631|4.960225|43.081712|3.817254|3.294422|3.349871|4.011977|25.471784|2.756495|8.907267|10.443773|17.592490|8.886705|6.909101|7.950356|6.899644|8.876063|28.409096|6.720713|6.259735|3.281684|2.853654|2.475263|2.483291|21.025645|0.073242|0.077923|0.085423|0.077345|0.096481|0.081120|0.110869|0.089505|0.118261|0.120605|0.096549|0.078520|0.080210|0.076228|0.070910|0.070167|0.500000| |2.942393|4.419796|0.105750|2.751055|3.306955|4.177432|7.355879|4.561780|5.110252|3.216619|3.273926|29.855020|2.749778|2.399214|2.372066|2.673764|17.615390|2.039295|6.906935|10.426714|8.772896|17.540347|8.915483|7.686558|4.897688|5.497568|28.463052|6.112047|7.129286|3.240443|2.692477|2.379683|2.488533|22.257924|0.071127|0.078732|0.088709|0.067730|0.078673|0.073245|0.087406|0.079697|0.104012|0.122265|0.073940|0.059808|0.058867|0.056279|0.053735|0.053154|0.214660|0.500000| |3.189354|4.805533|0.120103|3.044384|3.324243|3.895797|6.581613|3.958097|4.761159|2.929240|2.821638|23.838656|2.391943|2.163951|2.208002|2.522988|17.556361|2.031944|7.074045|12.772850|8.830425|17.595339|8.882820|9.572790|5.746481|6.842935|32.656508|6.501406|7.928211|3.970283|3.165019|2.831358|3.068742|29.069133|0.075347|0.088852|0.093697|0.072893|0.086989|0.083757|0.087789|0.079150|0.092851|0.114750|0.063192|0.054149|0.055711|0.055763|0.054558|0.052380|0.174256|0.301688|0.500000| |2.273430|3.465759|0.080203|2.315368|2.597615|3.023229|5.241614|3.809799|4.712403|3.191705|3.237197|26.197765|2.837078|2.540371|2.514224|2.769113|18.137112|2.154136|4.541113|6.866531|6.801607|8.821868|17.494351|12.266305|6.957454|5.709938|44.891046|10.026097|10.534630|4.174316|3.407987|2.801429|2.793556|24.992528|0.056703|0.061646|0.065639|0.057791|0.068374|0.062070|0.072459|0.063627|0.078223|0.082958|0.075995|0.063921|0.062989|0.061320|0.056466|0.055267|0.203549|0.215901|0.173651|0.500000| |2.274240|3.364194|0.078550|2.239481|2.429302|2.786364|4.584550|3.126199|3.879161|2.580442|2.579215|20.959803|2.287529|2.081721|2.079457|2.284527|15.506466|1.869067|4.115413|6.812862|5.516635|8.877183|17.692591|12.465037|5.656832|4.908646|49.549959|9.089886|14.578123|4.709567|3.592268|3.012611|3.145872|30.447871|0.056242|0.063020|0.066102|0.055669|0.064762|0.061445|0.066195|0.060040|0.071042|0.079436|0.061705|0.053064|0.052976|0.052658|0.049869|0.048238|0.141076|0.213371|0.216665|0.301943|0.500000| |2.317739|3.694252|0.085119|2.603967|2.740740|2.986469|5.238950|4.063636|5.683618|3.855977|3.541668|25.303137|3.070891|2.905392|3.068083|3.516247|24.276838|2.812579|4.518462|6.787618|6.773498|5.698382|6.944816|12.300380|17.526493|8.803061|45.228471|12.141127|8.192253|4.853693|4.259866|3.369994|3.179750|26.566128|0.058228|0.063085|0.064307|0.064343|0.080620|0.069541|0.080324|0.066094|0.076252|0.078038|0.077890|0.071777|0.077450|0.081349|0.073891|0.069202|0.202013|0.127761|0.132150|0.205388|0.142723|0.500000| |2.354755|3.734688|0.086772|2.717998|2.635288|2.751031|4.602617|3.369349|4.803307|3.169066|2.837368|20.288866|2.492493|2.417225|2.610649|3.001675|22.480616|2.654672|4.109203|6.720295|5.522396|4.914117|5.643673|12.443646|17.628065|8.899320|49.737761|11.813700|8.342494|6.817224|5.958193|4.592896|4.282865|35.553665|0.058880|0.065762|0.064150|0.066262|0.084398|0.074849|0.076789|0.063693|0.068935|0.073008|0.063478|0.060582|0.067764|0.075645|0.072390|0.064898|0.140913|0.107979|0.129228|0.142503|0.127359|0.302738|0.500000| |3.327109|5.512298|0.139870|3.839836|3.661803|3.834142|6.614463|4.270389|5.816175|3.437554|3.028417|23.227482|2.534935|2.384678|2.566687|3.067135|23.107453|2.570316|7.046646|12.368458|8.842524|6.851827|5.736795|9.564235|8.886644|17.574666|32.691261|6.978061|6.744682|4.531966|3.810134|3.421851|3.601141|31.537011|0.079304|0.093636|0.090157|0.088125|0.118922|0.106276|0.103706|0.084420|0.089900|0.102952|0.064416|0.058853|0.065254|0.069914|0.070173|0.064093|0.174208|0.139908|0.202703|0.132297|0.129049|0.173561|0.217414|0.500000| |3.121000|5.408339|0.129451|3.883244|3.909973|4.049097|7.420279|5.481333|8.354828|4.765978|3.893818|27.985520|3.153095|2.995235|3.338188|4.221759|32.247076|3.321017|6.848329|10.041255|8.779054|5.498473|4.893940|7.683422|8.906194|17.548947|28.521231|6.807890|5.806619|3.756639|3.393353|2.992265|2.967675|24.074381|0.076731|0.084231|0.083773|0.091149|0.128530|0.101163|0.119102|0.089113|0.097404|0.101281|0.077326|0.071961|0.083207|0.090272|0.088655|0.080493|0.214498|0.122943|0.139746|0.128155|0.107957|0.215686|0.213809|0.300795|0.500000| |1.707424|2.564583|0.057296|1.892322|1.810361|1.866745|2.912678|2.142073|3.007701|2.109065|1.976310|13.954082|1.842809|1.827276|1.930012|2.080445|15.444640|2.006116|2.429623|4.168402|2.904276|2.936361|3.519429|6.375777|4.653301|3.519345|45.687025|12.996558|8.410420|8.934176|17.769516|8.562003|5.733691|37.605284|0.043780|0.048325|0.046744|0.047865|0.056652|0.053189|0.051923|0.045614|0.048288|0.050684|0.048352|0.047665|0.051942|0.058365|0.055700|0.050203|0.077881|0.071144|0.080457|0.093176|0.093285|0.121407|0.159115|0.096630|0.091559|0.500000| |1.642964|2.423366|0.053641|1.826429|1.667076|1.676139|2.530230|1.820876|2.560979|1.774164|1.650452|11.717864|1.538887|1.533821|1.631210|1.762904|13.464596|1.770790|2.101027|3.751063|2.364014|2.385221|2.647024|4.482111|3.273344|2.823570|27.482676|6.654895|5.894156|5.739055|8.600417|17.762583|8.898688|37.621304|0.042356|0.047405|0.044459|0.046391|0.053955|0.052636|0.047454|0.042449|0.043170|0.045944|0.040438|0.040189|0.044330|0.050498|0.050312|0.044714|0.061845|0.058704|0.068321|0.068345|0.071922|0.082627|0.108252|0.082611|0.074853|0.200399|0.500000| 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