Version2.1 2021-01-07T23:58:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)[C@@H](CNC(=O)CCSCc1[nH]c(=O)c2c3c(sc2n1)CCC3)c4ccccc4 C36333204 RHF 6-31G(d) (6D,7F) CC[NH+](CC)[C@@H](CNC(=O)CCSCc1[nH]c(=O)c2c3c(sc2n1)CCC3)c4ccccc4 C01[X(C25H33N4O2S2)] 192 C1 569 CC[NH+]([C@H](c1ccccc1)CNC(=O)CCSCc1[nH]c(=O)c2c(n1)sc1c2CCC1)CC CC[NH+]([C@H](c1ccccc1)CNC(=O)CCSCc1[nH]c(=O)c2c(n1)sc1c2CCC1)CC CC[NH+](CC)[C@@H](CNC(=O)CCSCC1=Nc2sc3CCCc3c2C(=O)N1)c4ccccc4 InChIKey=RBVJOKZZARLJIN-IBGZPJMESA-O InChI=1S/C25H32N4O2S2/c1-3-29(4-2)19(17-9-6-5-7-10-17)15-26-22(30)13-14-32-16-21-27-24(31)23-18-11-8-12-20(18)33-25(23)28-21/h5-7,9-10,19H,3-4,8,11-16H2,1-2H3,(H,26,30)(H,27,28,31)/p+1/t19-/m0/s1 InChI=1/C25H32N4O2S2/c1-3-29(4-2)19(17-9-6-5-7-10-17)15-26-22(30)13-14-32-16-21-27-24(31)23-18-11-8-12-20(18)33-25(23)28-21/h5-7,9-10,19H,3-4,8,11-16H2,1-2H3,(H,26,30)(H,27,28,31)/p+1/t19-/m0/s1/fC25H33N4O2S2/h26-27,29H/q+1 CC[NH+](CC)[C@@H](CNC(=O)CCSCc1[nH]c(=O)c2c3c(sc2n1)CCC3)c4ccccc4 C01[X(C25H33N4O2S2)] 192 C01 569 CC[NH+]([C@H](c1ccccc1)CNC(=O)CCSCc1[nH]c(=O)c2c(n1)sc1c2CCC1)CC CC[NH]([C@H]([C]1[CH][CH][CH][CH][CH]1)CNC(=O)CCSCC1=N[C]2[C]([C]3=C(S2)CCC3)C(=O)N1)CC CC[NH](CC)[C@@H](CNC(=O)CCSCC1=N[C]2SC3=C(CCC3)[C]2C(=O)N1)[C]4[CH][CH][CH][CH][CH]4 InChIKey=SLGFLOOVQGOCIG-IBGZPJMESA-N InChI=1S/C25H33N4O2S2/c1-3-29(4-2)19(17-9-6-5-7-10-17)15-26-22(30)13-14-32-16-21-27-24(31)23-18-11-8-12-20(18)33-25(23)28-21/h5-7,9-10,19,29H,3-4,8,11-16H2,1-2H3,(H,26,30)(H,27,28,31)/t19-/m0/s1 InChI=1/C25H33N4O2S2/c1-3-29(4-2)19(17-9-6-5-7-10-17)15-26-22(30)13-14-32-16-21-27-24(31)23-18-11-8-12-20(18)33-25(23)28-21/h5-7,9-10,19,29H,3-4,8,11-16H2,1-2H3,(H,26,30)(H,27,28,31)/t19-/m0/s1/f/h26-27H 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0.600221 0.631457 0.632401 0.531072 -2127.723144 -2127.691908 -2127.690964 -2127.792293 3.398591D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE CC[NH+](CC)[C@@H](CNC(=O)CCSCc1[nH]c(=O)c2c3c(sc2n1)CCC3)c4ccccc4 C36333204 RHF 6-31G(d) (6D,10F) C1 485.204495 |X|Y|Z| 192.186226 29.230053 45.915905 63.655852 26 6 7 16 21 3 2 |36.858105| |12.511689|36.858105| |7.545419|12.669941|53.358707| |7.403124|9.265936|25.476364|0.500000| |5.005024|7.675261|17.230769|0.260494|36.858105| |4.467926|6.045690|10.316746|0.209655|12.502193|36.858105| |5.983861|7.546318|16.940760|0.259975|7.451261|4.943153|36.858105| |7.089130|7.507939|12.469617|0.220080|5.581553|4.161761|17.679647|0.500000| |4.448024|4.981522|10.274657|0.213063|5.909196|4.433537|12.342452|0.249892|36.858105| |4.435871|4.408393|8.031769|0.190939|4.539299|3.838038|7.561815|0.208049|13.107317|53.358707| |4.598296|4.378336|7.685343|0.206527|4.430355|4.091808|5.836576|0.162064|7.719084|19.210550|36.858105| |5.167703|5.113209|9.312543|0.293004|5.384742|5.280196|5.897341|0.155362|6.820563|11.618187|15.703128|73.516695| |3.692017|3.366858|5.361577|0.132833|3.292529|3.176066|4.074709|0.117686|5.016700|10.682935|12.595923|14.107057|36.858105| |3.517527|3.141073|4.755677|0.118009|3.008156|3.072280|3.363820|0.096755|3.809391|6.910213|7.517805|12.062868|12.485079|36.858105| |2.727141|2.448438|3.595596|0.084434|2.343527|2.380341|2.618750|0.075792|2.929870|5.053683|4.632101|7.374509|7.027865|10.489002|388.023441| |2.528545|2.274598|3.250474|0.075732|2.167588|2.276007|2.283048|0.065481|2.460760|4.003018|3.611802|6.290003|4.619103|6.948190|74.758312|36.858105| |2.134495|1.937125|2.741341|0.062436|1.851388|1.930221|1.951106|0.055965|2.090383|3.326386|2.860924|4.937853|3.536297|4.603678|49.250565|12.641143|36.858105| |1.977156|1.805650|2.524790|0.057018|1.726850|1.821578|1.776129|0.050704|1.874611|2.912926|2.475672|4.379050|2.915312|3.688384|33.761906|7.855675|13.990485|53.358707| |2.043688|1.868228|2.598940|0.058854|1.785295|1.907281|1.802752|0.051291|1.887473|2.909992|2.492676|4.500391|2.873616|3.687864|31.248749|7.443300|9.271059|25.975801|0.500000| |1.736962|1.598003|2.224049|0.049586|1.532769|1.608195|1.576088|0.044950|1.656558|2.539460|2.108599|3.714986|2.437232|2.930380|26.062087|5.061062|7.783498|18.556920|0.260914|36.858105| |1.638582|1.515488|2.095242|0.046454|1.455425|1.536321|1.475475|0.041948|1.537625|2.326386|1.919630|3.422026|2.168249|2.573888|21.694814|4.079540|5.419284|11.513227|0.218532|15.924159|73.516695| |1.654435|1.523991|2.131415|0.047298|1.464456|1.516460|1.533485|0.043857|1.623582|2.499524|2.047351|3.539765|2.395246|2.795297|25.829783|4.511333|7.006011|11.023445|0.162678|13.151575|14.220572|36.858105| |1.479525|1.371605|1.913443|0.042066|1.321879|1.362050|1.384894|0.039562|1.461740|2.225562|1.792085|3.093507|2.062247|2.330944|20.741046|3.379014|4.611729|6.916069|0.115347|7.303231|10.906787|13.265202|36.858105| |1.444204|1.340675|1.877742|0.041155|1.294187|1.321339|1.373800|0.039313|1.457846|2.225070|1.773144|3.023721|2.051775|2.268575|20.391139|3.123531|4.109105|5.618401|0.095359|5.135687|7.723718|8.264035|14.243823|36.858105| |1.594120|1.472490|2.079884|0.045852|1.420116|1.439201|1.535479|0.044112|1.648701|2.560201|2.046743|3.428878|2.437541|2.685218|25.623752|3.707232|4.939755|5.967126|0.099030|4.815516|6.822449|7.376615|7.391842|10.955547|388.023441| |1.760403|1.615228|2.277972|0.050773|1.551707|1.592354|1.655860|0.047533|1.772974|2.772929|2.276051|3.862178|2.741989|3.191829|31.819295|5.215033|8.531745|9.921051|0.146517|7.875178|9.523239|13.945749|8.196245|7.748126|78.106678|36.858105| |1.998932|1.820553|2.587347|0.058397|1.744934|1.791094|1.877735|0.054032|2.028612|3.239034|2.719669|4.574311|3.405417|4.140054|46.810893|7.864316|14.988996|11.177958|0.165025|6.645280|8.346145|7.816735|5.225352|5.007880|49.871257|13.915802|53.358707| |1.301544|1.215009|1.696321|0.036898|1.175249|1.196730|1.244406|0.035556|1.314372|1.983636|1.561599|2.669863|1.776000|1.927791|16.696782|2.506637|3.107091|4.304219|0.076483|3.826111|6.227888|5.184638|8.004665|12.677662|45.539413|4.810480|4.893654|36.858105| |1.251267|1.172052|1.630519|0.035437|1.136627|1.166094|1.186104|0.033768|1.245915|1.866115|1.474407|2.549901|1.657160|1.814617|15.375418|2.380520|2.932242|4.276328|0.077499|3.965902|6.883682|5.006431|8.012865|8.071390|33.156853|4.179428|4.379270|12.254338|36.858105| |1.348986|1.257269|1.744058|0.038096|1.213274|1.253255|1.258326|0.035855|1.318027|1.981529|1.583622|2.757155|1.785870|1.996938|17.025571|2.754427|3.511119|5.425808|0.097020|5.542910|9.924140|6.989346|12.652826|8.086190|34.260230|4.997361|5.086935|7.617373|12.268069|36.858105| |4.594569|5.931919|10.199308|0.157817|6.344010|4.223010|12.539391|0.250128|7.412442|6.811613|4.033535|7.207705|3.116430|2.657744|15.480400|1.932118|1.689899|2.117668|0.043792|1.400321|2.346951|1.368307|1.249638|1.243341|9.795339|1.467577|2.230493|1.137274|1.086254|1.144974|36.858105| |4.490843|5.442925|7.614937|0.123985|4.726886|3.472267|7.599865|0.207042|5.102968|5.455048|3.357166|5.948232|2.731833|2.381658|14.224887|1.792897|1.586247|1.998506|0.041277|1.330647|2.237181|1.303007|1.196239|1.191654|9.346121|1.392828|2.100985|1.095157|1.046034|1.100558|13.693733|36.858105| |3.459961|4.074435|5.598366|0.095349|3.827876|2.957704|5.021418|0.134659|3.901720|4.321622|2.725536|4.830755|2.297781|2.035592|12.461072|1.587308|1.423441|1.806071|0.037258|1.213504|2.049646|1.191515|1.102130|1.099870|8.570506|1.267669|1.893434|1.017723|0.973894|1.019970|7.884626|13.745954|36.858105| |2.939377|3.497490|5.057837|0.087529|3.724681|2.896064|4.420079|0.111911|3.704105|4.030693|2.551233|4.537284|2.160390|1.916260|11.798110|1.506740|1.356444|1.724978|0.035578|1.162495|1.966808|1.142423|1.059605|1.058187|8.226767|1.213500|1.806754|0.981547|0.940769|0.982647|6.824156|7.944618|13.767649|36.858105| |2.962727|3.609223|5.626373|0.097123|4.366396|3.281947|4.983970|0.117413|4.358993|4.494869|2.811096|5.021477|2.335059|2.049851|12.478206|1.585322|1.418604|1.798507|0.037119|1.207269|2.038668|1.185024|1.095666|1.093485|8.525613|1.261388|1.886179|1.011210|0.969330|1.013382|7.894996|6.893749|7.950854|13.739026|36.858105| |3.534822|4.457137|7.676345|0.127836|5.868288|4.030463|7.454934|0.156525|6.267763|5.809818|3.518107|6.310586|2.793382|2.403438|14.244920|1.789478|1.579136|1.987806|0.041078|1.322163|2.222509|1.294257|1.187758|1.183313|9.285883|1.384183|2.090523|1.086859|1.040209|1.092109|13.667952|7.958718|6.879222|7.932464|13.769149|36.858105| |17.591208|8.705902|9.047146|0.180089|4.419658|3.803510|6.407005|0.244881|4.748464|6.632149|4.780709|8.789798|3.883457|3.546545|19.867386|2.514086|2.137108|2.663754|0.055545|1.725458|2.875069|1.662431|1.490696|1.466407|11.605123|1.785144|2.762497|1.322039|1.261881|1.353878|4.861757|4.914185|3.682733|3.052090|3.035685|3.621440|0.500000| |17.584457|8.946703|7.539591|0.148101|4.177945|3.886736|4.600245|0.146425|3.570946|4.836447|3.677959|7.225673|3.120555|3.061696|17.560421|2.348404|2.014853|2.574813|0.054507|1.675775|2.832062|1.591286|1.430121|1.391906|10.822263|1.678025|2.565705|1.260374|1.216694|1.312880|3.884801|3.998008|3.227741|2.735460|2.693613|3.094311|0.303219|0.500000| |17.574577|8.798309|9.356987|0.219783|4.781286|4.610139|5.305221|0.166328|4.358605|6.293458|5.238528|11.050798|4.226026|4.203437|22.162357|2.916760|2.400543|3.013494|0.064033|1.915408|3.199445|1.807556|1.598498|1.550978|12.213803|1.925794|3.013787|1.386279|1.334228|1.449136|3.971586|3.726248|2.964786|2.604088|2.679123|3.200124|0.300673|0.302025|0.500000| |8.909584|17.673290|12.420518|0.212667|7.642247|7.098257|5.580375|0.147985|4.145932|5.085113|3.860240|8.277481|3.061966|2.964197|16.564519|2.223028|1.897119|2.436557|0.051907|1.585676|2.692731|1.499468|1.349571|1.311241|10.155773|1.575131|2.405505|1.189835|1.155148|1.243150|4.739072|4.372703|3.525944|3.142767|3.262332|3.896236|0.172921|0.218273|0.211521|0.500000| |8.754682|17.650238|12.387144|0.181841|6.671776|5.013967|7.207021|0.200572|4.601052|5.355797|3.721713|7.313435|2.952214|2.722800|15.608134|2.034491|1.762547|2.243409|0.047126|1.474262|2.492216|1.415181|1.284084|1.260472|9.814862|1.497905|2.276934|1.149617|1.108163|1.182200|6.797870|6.941818|5.037940|4.110086|4.070562|4.894690|0.208586|0.210703|0.172200|0.303690|0.500000| |4.665051|7.366447|12.357369|0.182792|17.647505|8.752477|6.461050|0.140917|4.882785|5.178042|3.628179|7.451275|2.822622|2.600355|14.853443|1.948289|1.688825|2.159403|0.045510|1.421148|2.410793|1.360854|1.236717|1.212251|9.404385|1.435430|2.176759|1.107374|1.072653|1.141550|6.598822|5.178656|4.318192|4.232050|4.892843|6.263555|0.115256|0.113444|0.117870|0.209940|0.205752|0.500000| |4.138669|5.640393|12.357782|0.214202|17.689630|8.920156|7.347167|0.146382|6.790054|6.581573|4.530471|9.369844|3.351702|2.979718|16.649546|2.132993|1.829880|2.310500|0.048453|1.510660|2.542301|1.452549|1.314144|1.292404|10.122616|1.545943|2.365636|1.174604|1.132985|1.204147|6.509892|4.559713|3.777147|3.841921|4.799356|6.817898|0.107121|0.097015|0.111743|0.149428|0.144183|0.303442|0.500000| |4.325036|5.312060|9.377662|0.223957|8.796363|17.582014|4.747390|0.113168|4.615697|5.721333|4.763751|11.738665|3.648562|3.582798|19.103158|2.566932|2.137920|2.729003|0.058490|1.750195|2.957423|1.643371|1.464060|1.416754|11.028817|1.731818|2.678307|1.274585|1.241066|1.339077|3.853416|3.167044|2.689827|2.627445|2.974859|3.661486|0.103892|0.102863|0.131400|0.162757|0.120081|0.172191|0.212345|0.500000| |4.821187|6.490402|9.127397|0.183815|8.706623|17.597826|4.395548|0.108416|3.800927|4.657163|3.690697|8.356552|2.958900|2.943903|16.390055|2.249116|1.912402|2.479809|0.053347|1.609779|2.748967|1.508266|1.354492|1.308052|10.070858|1.573305|2.400241|1.185768|1.159594|1.250906|3.816535|3.308752|2.837261|2.722426|2.977002|3.534920|0.108950|0.120762|0.138471|0.246138|0.146183|0.208245|0.173071|0.300579|0.500000| |3.592253|4.652188|7.556349|0.149930|8.949241|17.582556|4.114198|0.096889|3.828710|4.496982|3.454221|7.526142|2.783536|2.700603|15.342112|2.079290|1.789530|2.315683|0.049445|1.515296|2.586677|1.430850|1.292955|1.254788|9.661680|1.495272|2.269381|1.142054|1.116374|1.195942|3.761998|3.134854|2.771441|2.796055|3.205785|3.808101|0.087588|0.089785|0.101583|0.148306|0.115149|0.211398|0.218063|0.301783|0.303325|0.500000| |3.964364|4.604692|9.740831|0.208280|6.649758|5.057790|8.712513|0.176127|17.593302|12.451209|7.055908|12.341050|4.700611|3.716583|20.273340|2.438140|2.068699|2.541047|0.052469|1.649010|2.730437|1.608014|1.447139|1.437882|11.502392|1.746801|2.714844|1.296862|1.235265|1.308000|6.260634|4.361210|3.516964|3.488285|4.259576|6.089741|0.111524|0.090404|0.110685|0.112532|0.116623|0.144523|0.241585|0.150063|0.114017|0.123338|0.500000| |3.740276|4.117263|7.598560|0.150092|4.754412|3.658487|8.949127|0.204236|17.652758|12.692987|5.786458|8.886326|4.311081|3.302815|19.038302|2.242575|1.943169|2.374823|0.048466|1.558362|2.573008|1.541626|1.399741|1.405867|11.311856|1.686159|2.601453|1.275038|1.204451|1.264964|7.346564|5.203052|4.116228|3.994529|4.764632|6.729633|0.113233|0.086663|0.099920|0.096897|0.111474|0.117062|0.153212|0.103571|0.088831|0.091434|0.304017|0.500000| |3.789579|3.683893|6.252088|0.141116|3.716105|3.203413|5.909819|0.170724|9.075146|26.034708|9.444720|10.909005|7.555445|4.750510|26.596034|2.874616|2.432696|2.873618|0.057892|1.854054|3.003764|1.849836|1.654990|1.670977|13.813103|2.073024|3.289833|1.491118|1.391456|1.467989|4.404058|3.691756|3.007390|2.815913|3.098219|3.859838|0.118120|0.087338|0.108313|0.088027|0.094423|0.089901|0.110284|0.096100|0.080647|0.078719|0.190124|0.238969|0.500000| |3.116807|2.950872|4.750477|0.114051|3.052648|2.948172|3.677414|0.102937|4.723280|9.442028|9.023006|11.208544|17.527516|8.833866|46.907162|4.311407|3.432101|3.842390|0.076425|2.390218|3.771764|2.381551|2.064661|2.073117|17.656072|2.747897|4.613207|1.796991|1.669552|1.783996|2.919181|2.543458|2.178369|2.084747|2.276547|2.701986|0.090494|0.074573|0.096210|0.075452|0.073365|0.073187|0.088782|0.093869|0.075243|0.073532|0.127857|0.117637|0.200933|0.500000| |3.665368|3.240606|4.983461|0.118637|3.008914|2.839448|3.945988|0.119412|4.693894|9.935627|8.953629|10.756409|17.541438|8.811885|47.235914|4.290275|3.425481|3.826874|0.075954|2.383439|3.757757|2.380850|2.065123|2.077238|17.740362|2.753815|4.625197|1.801913|1.664860|1.784263|3.069770|2.762304|2.322733|2.155839|2.292197|2.709834|0.111663|0.086899|0.113708|0.080602|0.080456|0.073374|0.084394|0.087720|0.074620|0.069531|0.116109|0.116883|0.219953|0.303941|0.500000| |4.055926|3.447127|5.015355|0.125194|3.090429|3.174240|3.448451|0.101544|3.694756|6.505522|6.861097|12.010183|8.846999|17.589815|56.057815|6.520728|4.382314|4.953534|0.103316|2.890936|4.569310|2.712330|2.266635|2.185994|18.072526|3.033375|5.242791|1.867852|1.769882|1.960417|2.706010|2.460768|2.087932|1.939690|2.051179|2.400194|0.112293|0.098096|0.141052|0.090453|0.081670|0.074619|0.082638|0.101627|0.086739|0.076282|0.098327|0.088213|0.121471|0.173401|0.210169|0.500000| |3.327257|3.086998|4.751290|0.118957|3.121233|3.305838|3.253733|0.090540|3.700673|6.351701|6.858576|12.500250|8.867024|17.612054|56.009330|6.607974|4.409660|4.993376|0.104472|2.907321|4.597766|2.720258|2.271526|2.187592|18.053273|3.036555|5.249123|1.867225|1.779288|1.963706|2.594602|2.297074|1.977535|1.884295|2.036451|2.389720|0.090427|0.080869|0.110301|0.082836|0.073956|0.074087|0.086365|0.110622|0.087102|0.081193|0.104871|0.088457|0.118058|0.212708|0.173438|0.302297|0.500000| |2.738518|2.409339|3.369414|0.078578|2.222016|2.343089|2.333963|0.067618|2.456055|3.967288|3.584749|6.386488|4.400235|6.604194|56.271222|17.556317|8.973854|9.647809|0.205480|4.728443|7.064102|4.086741|3.135250|2.873903|23.488049|4.490278|8.319639|2.349708|2.254014|2.621154|1.968467|1.841148|1.623728|1.529088|1.598255|1.803743|0.075055|0.071289|0.089119|0.065665|0.059478|0.055651|0.059836|0.072979|0.065329|0.058936|0.067029|0.061749|0.078163|0.108921|0.115818|0.200023|0.169298|0.500000| |2.475701|2.274642|3.286326|0.076949|2.232864|2.390358|2.274460|0.064170|2.464294|3.945156|3.593332|6.456404|4.421460|6.594174|56.295372|17.558657|8.971075|9.663852|0.206366|4.733145|7.073922|4.086383|3.136502|2.874329|23.466717|4.485356|8.305653|2.347102|2.269102|2.618900|1.927529|1.772250|1.572564|1.503901|1.593943|1.802432|0.067360|0.063704|0.079447|0.062475|0.056287|0.055420|0.061236|0.075930|0.065317|0.061013|0.069150|0.062029|0.077575|0.117620|0.108917|0.165921|0.202753|0.301944|0.500000| |1.254103|1.177269|1.651238|0.035849|1.147704|1.165624|1.216517|0.034660|1.290759|1.943090|1.520939|2.591941|1.726377|1.851893|15.945926|2.342515|2.841255|3.862671|0.069353|3.317371|5.415554|4.328036|5.946788|8.754741|41.338947|4.228113|4.486107|17.567453|8.642766|5.647125|1.115449|1.072613|0.999252|0.966893|0.997667|1.070457|0.035436|0.033653|0.036982|0.031986|0.031013|0.030054|0.031993|0.034462|0.031964|0.030986|0.035439|0.034928|0.040716|0.048960|0.048602|0.049461|0.049978|0.060542|0.061510|0.500000| |1.287910|1.197846|1.664451|0.036096|1.149179|1.165422|1.224544|0.035129|1.287352|1.941135|1.520202|2.593966|1.723121|1.857993|15.971242|2.369436|2.886692|3.964885|0.071169|3.444095|5.650983|4.495029|6.304904|8.873405|40.353233|4.289713|4.523617|17.528844|8.638051|6.173132|1.121787|1.085506|1.009963|0.971536|0.997000|1.069279|0.036458|0.034754|0.037977|0.032520|0.031569|0.030162|0.031843|0.034349|0.032144|0.030850|0.035121|0.034762|0.040614|0.048144|0.048986|0.050393|0.049600|0.062590|0.061075|0.302682|0.500000| |1.210370|1.140870|1.593666|0.034619|1.116904|1.147918|1.158861|0.032848|1.221261|1.822623|1.438463|2.491882|1.611042|1.757733|14.781246|2.278764|2.770463|4.030236|0.073786|3.668804|6.430309|4.473478|6.504244|6.543241|29.944402|3.815138|4.103598|8.803613|17.573980|8.797915|1.063436|1.021240|0.952512|0.923493|0.953983|1.022878|0.033841|0.032631|0.035817|0.031282|0.029977|0.029272|0.031015|0.033962|0.031629|0.030636|0.033779|0.032831|0.037726|0.045394|0.044678|0.047319|0.048276|0.059444|0.061262|0.225429|0.175649|0.500000| |1.190434|1.115401|1.544768|0.033441|1.077782|1.104208|1.124022|0.032031|1.174549|1.750273|1.375911|2.384350|1.533466|1.668720|13.916317|2.140080|2.575841|3.755109|0.069362|3.398974|6.052529|4.061782|5.819466|5.849350|27.285031|3.476018|3.789175|8.651498|17.588907|8.640742|1.033994|0.999731|0.933620|0.901510|0.926041|0.990290|0.033351|0.032287|0.035124|0.030562|0.029386|0.028357|0.029795|0.032504|0.030575|0.029401|0.032302|0.031598|0.036231|0.042753|0.042924|0.045516|0.045396|0.057049|0.056710|0.189244|0.219922|0.303089|0.500000| |1.350328|1.252765|1.725411|0.037614|1.197296|1.236465|1.242370|0.035517|1.291993|1.938589|1.547534|2.702282|1.735268|1.941781|16.358834|2.657321|3.333040|5.204920|0.094878|5.227894|9.775497|6.067487|8.886240|6.350613|30.054135|4.467734|4.729507|6.173082|8.644343|17.537998|1.131712|1.092572|1.012924|0.972987|0.999811|1.075998|0.037627|0.036697|0.040259|0.034442|0.032752|0.031373|0.032872|0.036576|0.034441|0.032723|0.035506|0.034412|0.039813|0.047716|0.048378|0.053602|0.052786|0.071844|0.069624|0.129620|0.158626|0.175579|0.219580|0.500000| |1.325788|1.242135|1.725181|0.037699|1.207347|1.254622|1.238180|0.035123|1.296630|1.940203|1.554852|2.726466|1.741604|1.955300|16.424772|2.696853|3.387930|5.397873|0.098938|5.552263|10.803133|6.196884|8.773876|5.990895|29.006140|4.440098|4.736403|5.642945|8.637170|17.591222|1.127570|1.081133|1.002902|0.968754|1.001212|1.078832|0.036769|0.035848|0.039610|0.034268|0.032406|0.031544|0.033289|0.037285|0.034799|0.033363|0.035928|0.034498|0.039740|0.048415|0.047886|0.053252|0.054071|0.071177|0.072811|0.129565|0.129583|0.224634|0.188846|0.303654|0.500000| |5.238280|5.874909|7.436508|0.124422|4.310744|3.307350|7.073433|0.228790|4.745693|5.452471|3.415312|6.018631|2.812322|2.467933|14.745344|1.858804|1.642198|2.066594|0.042676|1.373730|2.306984|1.344512|1.232168|1.226644|9.631706|1.438315|2.173215|1.125506|1.073699|1.132161|8.888425|17.701296|8.955338|5.659273|4.962032|5.646081|0.169088|0.130603|0.115510|0.126461|0.211841|0.127337|0.111665|0.084975|0.089927|0.081586|0.110440|0.130194|0.103002|0.071423|0.080358|0.071994|0.065203|0.053496|0.050600|0.030525|0.031075|0.029016|0.028527|0.031319|0.030814|0.500000| |3.224453|3.640216|4.776649|0.083456|3.245853|2.614554|4.105463|0.115292|3.288235|3.812263|2.450031|4.332457|2.112211|1.893902|11.751550|1.506500|1.360546|1.732497|0.035713|1.169347|1.979333|1.149617|1.067125|1.065586|8.275157|1.220042|1.813263|0.989222|0.946960|0.990472|5.627669|8.927481|17.732700|8.913674|5.649032|4.956538|0.095860|0.086123|0.076665|0.088938|0.124343|0.100716|0.087679|0.066527|0.071036|0.068274|0.082637|0.095556|0.074660|0.055522|0.059859|0.054262|0.050881|0.042958|0.041281|0.026958|0.027349|0.025688|0.025284|0.027395|0.027017|0.216765|0.500000| |2.552176|2.965211|4.202874|0.074508|3.135881|2.540312|3.538208|0.091566|3.080790|3.468595|2.233023|3.969062|1.929784|1.730096|10.802616|1.388964|1.260542|1.610037|0.033182|1.091129|1.851378|1.073982|1.000786|1.000383|7.743544|1.137259|1.682982|0.931976|0.894425|0.931663|4.927783|5.648175|8.918145|17.732749|8.911386|5.645301|0.073237|0.067163|0.063512|0.075733|0.095213|0.098259|0.089577|0.064390|0.067005|0.069151|0.081766|0.092038|0.068128|0.052042|0.053600|0.048579|0.047340|0.039111|0.038515|0.025534|0.025650|0.024410|0.023859|0.025639|0.025524|0.124430|0.214650|0.500000| |2.579193|3.087217|4.805876|0.085561|3.867549|3.040970|4.067030|0.097008|3.797618|4.026828|2.561811|4.581870|2.163500|1.913790|11.773427|1.503069|1.352710|1.720265|0.035488|1.159219|1.961439|1.139046|1.056526|1.055090|8.201700|1.209839|1.801501|0.978454|0.939351|0.979620|5.631660|4.963954|5.651421|8.909568|17.731507|8.940636|0.072715|0.065741|0.066055|0.079641|0.094062|0.118458|0.120715|0.077175|0.076255|0.084897|0.107079|0.115389|0.077887|0.059379|0.058643|0.052779|0.053234|0.041874|0.042172|0.026881|0.026758|0.025750|0.024935|0.026800|0.026936|0.107700|0.124141|0.214752|0.500000| 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