Version2.1 2020-12-17T08:35:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1CC[NH+](CC1)[C@@H](CNC(=O)CCc2[nH]c(=O)c3c4c(sc3n2)CCCC4)c5cccs5 C11603411 RHF 6-31G(d) (6D,7F) CC1CC[NH+](CC1)[C@@H](CNC(=O)CCc2[nH]c(=O)c3c4c(sc3n2)CCCC4)c5cccs5 C01[X(C25H33N4O2S2)] 192 C1 569 CC1CC[NH+](CC1)[C@H](c1cccs1)CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 CC1CC[NH+](CC1)[C@H](c1cccs1)CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 CC1CC[NH+](CC1)[C@@H](CNC(=O)CCC2=Nc3sc4CCCCc4c3C(=O)N2)c5sccc5 InChIKey=UUSQFWLDWJHTDU-SFHVURJKSA-O InChI=1S/C25H32N4O2S2/c1-16-10-12-29(13-11-16)18(20-7-4-14-32-20)15-26-22(30)9-8-21-27-24(31)23-17-5-2-3-6-19(17)33-25(23)28-21/h4,7,14,16,18H,2-3,5-6,8-13,15H2,1H3,(H,26,30)(H,27,28,31)/p+1/t18-/m0/s1 InChI=1/C25H32N4O2S2/c1-16-10-12-29(13-11-16)18(20-7-4-14-32-20)15-26-22(30)9-8-21-27-24(31)23-17-5-2-3-6-19(17)33-25(23)28-21/h4,7,14,16,18H,2-3,5-6,8-13,15H2,1H3,(H,26,30)(H,27,28,31)/p+1/t18-/m0/s1/fC25H33N4O2S2/h26-27,29H/q+1 CC1CC[NH+](CC1)[C@@H](CNC(=O)CCc2[nH]c(=O)c3c4c(sc3n2)CCCC4)c5cccs5 C01[X(C25H33N4O2S2)] 192 C01 569 CC1CC[NH+](CC1)[C@H](c1cccs1)CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 C[C@@H]1CC[NH](CC1)[C@H](C1=[CH][CH]=CS1)CNC(=O)CCC1=N[C]2[C]([C]3=C(S2)CCCC3)C(=O)N1 C[C@@H]1CC[NH](CC1)[C@@H](CNC(=O)CCC2=N[C]3SC4=C(CCCC4)[C]3C(=O)N2)c5sccc5 InChIKey=AJCIGDLSLCVHGA-SFHVURJKSA-N InChI=1S/C25H33N4O2S2/c1-16-10-12-29(13-11-16)18(20-7-4-14-32-20)15-26-22(30)9-8-21-27-24(31)23-17-5-2-3-6-19(17)33-25(23)28-21/h4,7,14,16,18,29H,2-3,5-6,8-13,15H2,1H3,(H,26,30)(H,27,28,31)/t18-/m0/s1 InChI=1/C25H33N4O2S2/c1-16-10-12-29(13-11-16)18(20-7-4-14-32-20)15-26-22(30)9-8-21-27-24(31)23-17-5-2-3-6-19(17)33-25(23)28-21/h4,7,14,16,18,29H,2-3,5-6,8-13,15H2,1H3,(H,26,30)(H,27,28,31)/t18-/m0/s1/f/h26-27H 3555.9496653301 -2128.3317183 1-A 32980.7199 129 440 569 |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| -92.09923 -92.02215 -20.64217 -20.58744 -15.84138 -15.70617 -15.68755 -15.63498 -11.46174 -11.44778 -11.43280 -11.42821 -11.42091 -11.41533 -11.41304 -11.39940 -11.38660 -11.37238 -11.36988 -11.36781 -11.36681 -11.36263 -11.35692 -11.33618 -11.33373 -11.32526 -11.30838 -11.29337 -11.29033 -11.28037 -11.26572 -11.26548 -11.26092 -9.10968 -9.03251 -6.79232 -6.79133 -6.78968 -6.71504 -6.71409 -6.71241 -1.51136 -1.48046 -1.46430 -1.39286 -1.36134 -1.30821 -1.28477 -1.25156 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5591.93 0.603394 0.632918 0.633862 0.536716 -2127.728325 -2127.698800 -2127.697856 -2127.795003 3.258326D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE CC1CC[NH+](CC1)[C@@H](CNC(=O)CCc2[nH]c(=O)c3c4c(sc3n2)CCCC4)c5cccs5 C11603411 RHF 6-31G(d) (6D,10F) C1 485.204495 |X|Y|Z| 170.791647 54.776603 28.461461 64.333864 30 6 7 16 24 4 2 |36.858105| |12.470952|36.858105| |7.527447|12.452422|36.858105| |4.882707|7.470902|12.489192|36.858105| |4.346155|6.389591|7.607803|12.635001|53.358707| |4.292410|5.863912|7.138830|9.317164|25.690428|0.500000| |4.896233|7.524686|6.568714|7.703888|17.164642|0.259054|36.858105| |7.517202|12.450888|7.670046|6.528461|10.338835|0.198855|12.517487|36.858105| |3.238078|4.299740|4.878491|7.422973|16.912835|0.255922|7.611434|4.931791|36.858105| |3.137574|4.181186|4.501132|6.627812|12.386608|0.182326|7.354780|4.704957|17.654080|0.500000| |2.836459|3.584534|4.344310|6.489423|10.128385|0.184449|4.914238|3.762158|12.325495|0.248036|36.858105| |2.360050|2.874539|3.294481|4.434418|6.794484|0.127491|3.858081|3.036830|7.775961|0.197364|13.264380|53.358707| |2.219496|2.689352|2.993747|3.937378|5.765246|0.104602|3.528192|2.800434|6.103418|0.185694|7.849110|19.055517|36.858105| |2.380194|2.932118|3.237649|4.333848|6.084103|0.105587|3.808769|2.996836|6.137556|0.211037|7.039733|11.639857|15.828730|73.516695| |1.890585|2.222619|2.420868|3.002747|4.376218|0.082387|2.816170|2.319515|4.261036|0.126007|5.044952|10.678151|12.598605|14.086311|36.858105| |1.766088|2.054618|2.199357|2.662030|3.765938|0.070342|2.515326|2.113366|3.456328|0.105946|3.856686|6.915095|7.567878|12.110410|12.508266|36.858105| |1.554454|1.774510|1.880184|2.210382|3.135864|0.059775|2.131918|1.830651|2.786875|0.083152|3.047285|5.246315|4.933715|7.897156|7.565773|12.641570|36.858105| |1.457686|1.648375|1.730204|2.000218|2.796591|0.053282|1.933378|1.685632|2.411892|0.072358|2.586384|4.227137|3.852573|6.599926|5.073026|7.839456|14.019638|53.358707| |1.492942|1.690773|1.770123|2.045145|2.826333|0.053420|1.963900|1.715513|2.415100|0.073369|2.573394|4.120716|3.802937|6.825596|4.698071|7.431356|9.295108|25.968336|0.500000| |1.318400|1.472830|1.536820|1.747082|2.443686|0.047058|1.704627|1.507168|2.069146|0.061234|2.197235|3.510803|3.043922|5.199935|3.836239|5.053410|7.777590|18.556785|0.261016|36.858105| |1.258133|1.396583|1.449140|1.630685|2.261981|0.043549|1.591727|1.420961|1.884466|0.055868|1.982813|3.093864|2.650626|4.640486|3.179599|4.079393|5.423310|11.533978|0.219275|15.916050|73.516695| |1.274044|1.418630|1.483250|1.682027|2.378098|0.046276|1.652451|1.462688|2.020616|0.058870|2.152817|3.470850|2.921037|4.828231|3.754249|4.500088|6.979871|11.008449|0.162549|13.134964|14.190231|36.858105| |1.165793|1.285770|1.338879|1.499165|2.118816|0.041570|1.481400|1.326147|1.773451|0.051178|1.875180|2.961670|2.416879|4.017209|2.974752|3.364503|4.584678|6.896909|0.115175|7.291108|10.899121|13.165145|36.858105| |1.150113|1.266080|1.320749|1.476565|2.102220|0.041565|1.465170|1.312761|1.761969|0.050281|1.866076|2.954527|2.358242|3.855165|2.900115|3.111374|4.087914|5.606429|0.095219|5.129616|7.713635|8.248488|14.172243|36.858105| |1.256409|1.394508|1.465316|1.658199|2.387558|0.047306|1.644051|1.455921|2.040983|0.057825|2.187521|3.564812|2.829367|4.469358|3.634797|3.709640|4.944589|5.990938|0.099347|4.839286|6.843332|7.434843|7.373369|10.879541|388.023441| |1.347026|1.509130|1.588195|1.819329|2.601733|0.050784|1.787739|1.567110|2.251581|0.065073|2.426881|4.030429|3.379962|5.368898|4.608596|5.211900|8.520620|9.953430|0.146850|7.901533|9.536315|13.980366|8.116907|7.679939|78.490416|36.858105| |1.489862|1.690359|1.792800|2.093005|3.009753|0.058269|2.040117|1.759229|2.676280|0.077853|2.933662|5.097670|4.464688|6.815439|6.891787|7.855514|14.933285|11.193953|0.165177|6.648042|8.349120|7.802848|5.190811|4.978551|49.983164|13.907753|53.358707| |1.061571|1.159210|1.205311|1.333364|1.896504|0.037743|1.328378|1.201875|1.568790|0.044463|1.650690|2.566049|2.007995|3.307356|2.387494|2.502788|3.092547|4.244921|0.075374|3.728036|6.017955|5.058899|7.515701|12.655579|47.535492|4.813090|4.916088|36.858105| |1.006033|1.094010|1.130927|1.243155|1.759281|0.034920|1.242562|1.130615|1.441543|0.041089|1.503552|2.306725|1.814269|3.040294|2.116952|2.261796|2.750925|3.933847|0.071538|3.538149|6.059244|4.452679|6.684663|7.659320|32.721516|3.908183|4.155874|12.423124|36.858105| |1.011400|1.100481|1.139729|1.253851|1.758711|0.034750|1.240172|1.129405|1.438052|0.041200|1.507472|2.309196|1.837263|3.107522|2.142908|2.348638|2.881943|4.299821|0.078749|4.048952|7.264628|4.899615|7.598412|6.759655|29.734088|3.955894|4.211945|7.539579|12.450445|36.858105| |1.087385|1.191026|1.233719|1.367711|1.918647|0.037646|1.352310|1.222252|1.582139|0.045741|1.659394|2.567124|2.083300|3.534807|2.472282|2.804733|3.586587|5.635853|0.100927|5.881174|10.713071|7.237883|12.615051|7.603926|33.501426|5.027131|5.139995|6.279299|7.517997|12.432718|36.858105| |2.868859|3.600070|3.836038|4.954472|10.467691|0.206741|6.342081|4.390876|12.687382|0.249860|7.508189|8.802864|5.094275|8.388164|4.002212|3.206556|2.695287|3.154240|0.063328|2.020546|3.255054|2.013676|1.784416|1.797706|14.971883|2.269283|3.637946|1.609571|1.470468|1.447753|1.583308|36.858105| |2.567970|3.135428|3.172439|3.871119|7.344081|0.141811|5.318869|3.842596|7.472312|0.198469|5.244936|7.096171|4.628772|7.704466|3.918302|3.228982|2.768937|3.249115|0.064914|2.091694|3.364688|2.092063|1.855401|1.870649|15.574998|2.357600|3.757761|1.672874|1.531271|1.497822|1.643440|14.137113|36.858105| |2.293843|2.689049|2.704291|3.132634|5.611029|0.115923|4.113004|3.270454|5.041146|0.130001|4.054120|5.617184|3.657290|5.968185|3.334370|2.787277|2.501897|2.957772|0.058390|1.949220|3.140488|1.988396|1.795199|1.838301|15.343665|2.247200|3.496343|1.665634|1.518777|1.466790|1.590845|8.192981|13.265767|36.858105| |2.308553|2.671181|2.748907|3.141445|5.600435|0.123256|3.899459|3.224058|4.815700|0.116064|4.085286|5.480594|3.390731|5.456689|3.082563|2.549009|2.304364|2.728240|0.053751|1.811240|2.923919|1.860499|1.694306|1.748689|14.620724|2.105846|3.252366|1.598310|1.451320|1.400079|1.504142|7.677644|8.243938|14.182891|36.858105| |2.663639|3.167518|3.437482|4.087441|7.701403|0.183722|4.702036|3.791091|6.701484|0.141560|5.712068|6.879542|3.892894|6.231588|3.314315|2.675932|2.347961|2.767497|0.054977|1.813600|2.929639|1.841806|1.662707|1.701952|14.210733|2.081419|3.261920|1.546918|1.405306|1.371992|1.478077|10.928367|7.454580|7.454945|11.031546|388.023441| |17.567663|8.791824|6.851118|4.517120|5.181217|0.103380|4.060770|5.476307|2.943288|0.079917|2.670110|3.049542|2.126381|4.073045|1.819875|1.714939|1.511813|1.940669|0.040710|1.291237|2.198840|1.243414|1.138690|1.120314|8.663743|1.308836|1.965181|1.034749|0.982778|0.991773|1.065730|2.579070|2.315422|2.073075|2.085789|17.076045|0.500000| |17.567910|8.795474|5.481209|4.047271|5.179164|0.103432|4.526201|6.844199|2.950961|0.080894|2.558507|2.964750|2.073959|3.957081|1.788034|1.684906|1.493017|1.915929|0.040081|1.278461|2.176235|1.234609|1.132982|1.116726|8.635475|1.300247|1.947804|1.033098|0.982525|0.986831|1.060349|2.681930|2.467348|2.223707|2.211853|17.622884|0.302091|0.500000| |17.541913|8.774174|6.805458|4.525633|5.692016|0.121259|4.529778|6.795553|3.129481|0.082051|2.772555|3.138452|2.134338|3.996577|1.830551|1.694599|1.501271|1.909060|0.039672|1.273715|2.156081|1.239252|1.138212|1.128586|8.789430|1.314791|1.974753|1.045197|0.988114|0.990141|1.060219|2.842655|2.523733|2.296958|2.358882|19.505969|0.301493|0.301532|0.500000| |8.914755|17.497091|8.919749|6.815309|7.734431|0.136196|6.879528|8.924190|4.134090|0.118110|3.462598|3.861378|2.735979|5.446702|2.258404|2.124252|1.824189|2.323447|0.049041|1.519424|2.571744|1.450403|1.309942|1.281528|9.987037|1.533640|2.339557|1.169796|1.108269|1.119477|1.216943|3.404581|3.044720|2.577571|2.501813|20.599226|0.213516|0.213570|0.173441|0.500000| |6.803196|8.787924|17.565411|9.002155|7.586228|0.145132|4.918740|5.538922|4.075139|0.107697|3.874143|4.126087|2.813465|5.456008|2.302092|2.124418|1.821780|2.301910|0.048318|1.504982|2.536046|1.445239|1.306130|1.283571|10.059933|1.537412|2.351811|1.172557|1.103635|1.117642|1.209156|3.244674|2.749619|2.373615|2.404837|20.917985|0.202569|0.139770|0.166599|0.215120|0.500000| |6.960815|8.831101|17.500495|8.878999|9.286416|0.208234|5.711770|6.844818|4.525828|0.111059|4.141368|4.297364|2.797745|5.211504|2.299984|2.066991|1.788714|2.233057|0.046270|1.467506|2.455660|1.429067|1.297364|1.288079|10.188706|1.535917|2.349278|1.181086|1.105212|1.109432|1.194319|3.758522|3.074130|2.694689|2.820737|25.600891|0.172638|0.141351|0.206562|0.174136|0.304075|0.500000| |4.459385|6.673269|8.744633|17.606187|12.402512|0.181927|7.014694|5.725927|6.912130|0.199806|6.087067|6.033696|4.206470|8.804894|3.157846|2.869280|2.342017|2.904365|0.061333|1.845813|3.072112|1.754145|1.552346|1.515396|12.039137|1.884775|2.963947|1.361002|1.273948|1.292116|1.419095|4.568818|3.758263|2.991757|2.905471|25.603068|0.117992|0.106729|0.110122|0.198323|0.214336|0.172930|0.500000| |4.078395|5.485112|8.876451|17.689081|12.314932|0.224098|5.612576|4.913775|6.881997|0.162497|7.471968|6.594155|4.133337|7.825118|3.135092|2.732462|2.266316|2.771378|0.057554|1.776594|2.935868|1.717745|1.529646|1.510868|12.129917|1.867841|2.935330|1.362996|1.264723|1.277015|1.390518|4.697885|3.619519|2.994056|3.071664|29.158614|0.108644|0.094918|0.109293|0.139918|0.215881|0.218090|0.301441|0.500000| |4.508642|6.806748|5.833794|7.095081|12.439522|0.182368|17.604914|8.795551|7.035879|0.225364|4.716343|5.229083|3.703253|7.454900|2.932437|2.679679|2.243015|2.787925|0.058389|1.792012|2.984216|1.716750|1.529429|1.499858|11.903310|1.845039|2.874978|1.353012|1.270979|1.274892|1.399283|5.564357|5.015587|3.796606|3.463963|28.365111|0.108035|0.118955|0.110945|0.203777|0.130574|0.133462|0.213747|0.144533|0.500000| |4.060392|5.481720|4.912905|5.622436|12.356960|0.223584|17.684001|8.796519|7.244185|0.190786|4.608345|5.177531|3.453799|6.418948|2.822479|2.497628|2.142032|2.629803|0.054057|1.711747|2.830769|1.673639|1.504684|1.496630|12.000475|1.820474|2.822280|1.359066|1.268226|1.257437|1.369001|7.470801|6.669204|5.096675|4.691394|38.273197|0.094710|0.108181|0.108442|0.140696|0.108128|0.127803|0.144232|0.126536|0.301355|0.500000| |6.930598|8.811324|6.839120|5.699722|9.294052|0.209451|8.867992|17.503437|4.579143|0.115406|3.605864|3.972542|2.631289|4.872945|2.209196|1.992234|1.744449|2.179219|0.044947|1.440800|2.410638|1.410305|1.285732|1.280913|10.128685|1.516595|2.307502|1.178268|1.105442|1.099812|1.183823|4.325074|3.729152|3.307399|3.391053|28.811257|0.140905|0.172051|0.205439|0.173988|0.139523|0.200117|0.131992|0.128510|0.173143|0.214270|0.500000| |6.791158|8.787042|5.538849|4.891579|7.574362|0.145501|9.002817|17.564845|4.128508|0.114052|3.208330|3.677547|2.549239|4.861285|2.156465|1.994993|1.745696|2.206297|0.045903|1.457695|2.454956|1.412742|1.285839|1.270922|9.956245|1.504699|2.282201|1.167060|1.103089|1.100933|1.190624|3.857196|3.588560|3.118516|3.007933|23.758881|0.139609|0.202179|0.166306|0.215235|0.123376|0.139656|0.128272|0.107988|0.214001|0.214476|0.303989|0.500000| |2.932474|3.728988|4.689525|7.341590|9.292409|0.162130|4.643852|3.690092|8.794892|0.216839|17.676528|12.692660|7.340202|13.463439|4.731171|3.841269|2.994893|3.525212|0.072786|2.188993|3.542872|2.110318|1.834474|1.806163|14.828999|2.342084|3.829142|1.597350|1.465374|1.483327|1.636867|5.506147|4.225948|3.354196|3.339488|31.201398|0.078240|0.072744|0.078373|0.102250|0.120815|0.119558|0.205117|0.254516|0.128982|0.115102|0.096086|0.087330|0.500000| |2.799509|3.445389|4.276179|5.956034|9.143797|0.191460|4.456333|3.609488|8.727117|0.173913|17.587475|12.600438|5.788098|9.068722|4.264899|3.311257|2.732397|3.182458|0.064095|2.025016|3.259413|2.011046|1.775909|1.785499|14.892988|2.269132|3.666103|1.595547|1.448916|1.446004|1.575156|6.749226|4.687118|3.895763|4.188736|45.048350|0.073216|0.069545|0.077885|0.089643|0.105830|0.119893|0.143374|0.203997|0.113382|0.117843|0.100123|0.084914|0.301463|0.500000| |2.177046|2.593250|2.943817|3.778880|5.838035|0.115246|3.414279|2.763002|6.169932|0.152039|9.023974|26.070331|9.294152|10.872366|7.447279|4.708334|3.804935|4.120621|0.080206|2.560147|3.979519|2.597630|2.233939|2.267013|19.894648|3.080780|5.291996|1.972751|1.751468|1.737230|1.917279|5.995800|4.986571|4.233115|4.277893|37.659324|0.057380|0.056072|0.059828|0.070300|0.075429|0.080300|0.102282|0.114915|0.092499|0.095875|0.075334|0.068893|0.185233|0.230315|0.500000| |1.801014|2.092157|2.307682|2.825121|4.049432|0.077937|2.572181|2.163515|3.818997|0.107889|4.745679|9.822349|8.929997|10.784500|17.575105|8.830797|6.855150|6.417180|0.118822|3.717216|5.467744|3.761422|3.018792|2.994164|27.288954|4.723394|9.447677|2.467934|2.156075|2.182110|2.488170|3.616755|3.448734|3.045793|2.919030|22.624295|0.048407|0.047112|0.048823|0.058495|0.061430|0.061707|0.081009|0.083843|0.073108|0.071344|0.057949|0.055649|0.124505|0.117792|0.212609|0.500000| |1.844519|2.159418|2.315692|2.834063|4.274670|0.081439|2.806736|2.301133|4.193077|0.122700|4.652869|9.509063|8.979123|11.106239|17.561685|8.842868|6.949759|6.422252|0.118100|3.730872|5.469688|3.803699|3.049950|3.038532|27.974587|4.832087|9.813619|2.499859|2.194851|2.179310|2.503188|4.245295|4.377489|3.798836|3.430093|25.065312|0.048914|0.048780|0.049854|0.060567|0.060471|0.061624|0.081562|0.080933|0.080418|0.080182|0.061303|0.059889|0.115593|0.112011|0.201280|0.305784|0.500000| |1.825765|2.136724|2.248694|2.719819|3.879411|0.071417|2.656336|2.210921|3.552872|0.113312|3.750247|6.413459|6.975141|12.734415|8.849001|17.560212|8.976240|9.584900|0.203425|4.713068|7.049184|4.078134|3.125407|2.868535|23.559663|4.496199|8.339339|2.343623|2.157415|2.234882|2.671505|3.288478|3.401560|2.880623|2.570576|18.928741|0.049076|0.048703|0.048294|0.062057|0.060075|0.058098|0.082762|0.075782|0.080210|0.073418|0.057240|0.058482|0.103889|0.088063|0.117964|0.173345|0.209589|0.500000| |1.773818|2.058502|2.226429|2.690578|3.683231|0.068628|2.439324|2.076117|3.292388|0.100430|3.768609|6.461869|6.862562|12.006048|8.844866|17.551111|8.968420|9.720214|0.209206|4.742240|7.106976|4.075118|3.121754|2.856905|23.377938|4.467484|8.243853|2.334788|2.135006|2.253667|2.674377|2.955321|2.896531|2.502918|2.329235|17.757549|0.048293|0.046799|0.047120|0.059422|0.060598|0.057832|0.081416|0.077550|0.072419|0.066094|0.054209|0.054223|0.109102|0.090272|0.119754|0.211488|0.173394|0.305158|0.500000| |1.040258|1.133098|1.183445|1.306484|1.849689|0.036937|1.288785|1.170498|1.524053|0.042942|1.616902|2.505159|1.943382|3.193044|2.295578|2.379375|2.892536|3.935084|0.070517|3.380921|5.493729|4.432018|6.062331|8.931251|42.294871|4.327679|4.578329|17.513181|8.807416|6.576357|5.281637|1.558113|1.603714|1.597312|1.547872|10.741345|0.028223|0.028058|0.028510|0.031688|0.032058|0.032305|0.036930|0.037278|0.036342|0.036518|0.031959|0.031487|0.043565|0.043700|0.053708|0.066964|0.066036|0.061280|0.062480|0.500000| |1.059369|1.155855|1.198626|1.323846|1.896426|0.037873|1.332161|1.205163|1.569142|0.044316|1.639983|2.544807|1.971643|3.234973|2.329305|2.394160|2.901700|3.890833|0.069571|3.297283|5.306390|4.339688|5.749659|8.895986|45.343984|4.380114|4.653133|17.542518|8.802783|5.506860|4.849410|1.628081|1.703063|1.715594|1.646944|11.202823|0.028598|0.028676|0.029038|0.032310|0.032268|0.032715|0.037387|0.037512|0.037555|0.038069|0.032916|0.032554|0.043764|0.044181|0.054659|0.066566|0.068836|0.062758|0.061452|0.303691|0.500000| |0.955293|1.034105|1.068320|1.167940|1.650127|0.032871|1.166767|1.067581|1.342875|0.038115|1.399128|2.128555|1.658202|2.784682|1.908617|2.014942|2.393366|3.390971|0.062612|2.961160|5.131690|3.577862|4.896205|5.576065|27.220013|3.246490|3.586745|8.846297|17.554458|8.804698|5.481423|1.371452|1.423761|1.419320|1.364456|9.395218|0.025945|0.025933|0.026116|0.029044|0.028991|0.029081|0.033143|0.033022|0.033051|0.033074|0.029074|0.028957|0.037898|0.037658|0.044946|0.054187|0.054834|0.053501|0.053228|0.219667|0.206876|0.500000| |1.011324|1.100281|1.131502|1.242960|1.766624|0.035010|1.255827|1.141327|1.447888|0.041428|1.495869|2.290610|1.806211|3.039793|2.099698|2.249993|2.724347|3.908425|0.071405|3.499905|6.033628|4.315535|6.164553|6.690062|30.855726|3.788692|4.082498|8.849911|17.523237|8.854083|6.916937|1.483604|1.558474|1.549298|1.469804|10.035668|0.027389|0.027512|0.027560|0.031006|0.030602|0.030670|0.035431|0.034954|0.035752|0.035721|0.030956|0.031039|0.040401|0.039905|0.048153|0.058590|0.061024|0.060472|0.058476|0.174076|0.219855|0.303071|0.500000| |1.001788|1.088604|1.132814|1.245545|1.738963|0.034430|1.219422|1.113030|1.419099|0.040480|1.500218|2.296079|1.818156|3.066251|2.116971|2.304070|2.805817|4.142995|0.076122|3.817653|6.788032|4.575974|6.621810|6.205029|28.890955|3.807451|4.108767|6.944661|8.866547|17.514475|8.846184|1.422730|1.459715|1.427846|1.372651|9.639436|0.027345|0.027084|0.027280|0.030710|0.030936|0.030686|0.035588|0.035404|0.034739|0.034239|0.030158|0.030048|0.041122|0.040144|0.048104|0.060703|0.059225|0.060160|0.062150|0.196520|0.140088|0.211149|0.173811|0.500000| |0.968789|1.050260|1.083608|1.185849|1.658982|0.032772|1.175925|1.075960|1.346918|0.038645|1.403779|2.129833|1.691415|2.887595|1.943027|2.131456|2.556979|3.845839|0.072103|3.550058|6.630871|4.016853|5.551030|4.938037|24.182600|3.297927|3.654492|5.492801|8.818991|17.554372|8.847626|1.353659|1.401237|1.372384|1.309388|9.119946|0.026424|0.026319|0.026324|0.029724|0.029569|0.029281|0.033980|0.033453|0.033621|0.033085|0.029086|0.029222|0.038487|0.037414|0.044280|0.054584|0.054735|0.057021|0.057206|0.138031|0.123272|0.214753|0.210868|0.303397|0.500000| |1.085377|1.188583|1.223286|1.353491|1.904243|0.037272|1.353187|1.222905|1.567286|0.045562|1.625063|2.501067|2.036334|3.486862|2.393102|2.731517|3.440131|5.473506|0.099982|5.622857|10.768465|6.330440|8.947921|6.107812|29.668472|4.538174|4.823276|5.261622|6.536758|8.801006|17.523307|1.572366|1.645804|1.593128|1.494930|10.375142|0.029510|0.029501|0.029339|0.033825|0.033254|0.032820|0.039111|0.037993|0.039029|0.038136|0.032825|0.033235|0.044492|0.042680|0.051589|0.065710|0.067824|0.073997|0.071787|0.120752|0.122172|0.137400|0.194621|0.174023|0.219696|0.500000| |1.090168|1.193664|1.239384|1.373624|1.910927|0.037399|1.343866|1.217140|1.570179|0.045498|1.655501|2.551228|2.082954|3.564796|2.455829|2.834146|3.592340|5.868583|0.107492|6.249764|12.534250|6.699800|8.917888|5.800943|29.108219|4.630145|4.950106|4.856593|5.499244|8.797412|17.595394|1.554352|1.601301|1.537310|1.456692|10.282753|0.029783|0.029493|0.029466|0.033970|0.033895|0.033247|0.039738|0.038862|0.038736|0.037570|0.032670|0.032893|0.045754|0.043570|0.052557|0.068836|0.067746|0.074714|0.076785|0.122801|0.108203|0.123113|0.139741|0.219535|0.206475|0.305545|0.500000| |2.514443|3.079940|3.050777|3.717475|6.718820|0.123184|5.162689|3.714943|6.669195|0.208353|4.776340|6.654480|4.763097|8.309951|4.055719|3.467160|2.938921|3.473249|0.069989|2.216071|3.571936|2.186412|1.923165|1.916848|15.814024|2.441653|3.904708|1.702868|1.569432|1.542235|1.707531|8.916958|17.727544|8.593776|5.736997|37.664168|0.063367|0.067862|0.067413|0.085606|0.074432|0.080101|0.104794|0.094969|0.146943|0.173501|0.096543|0.098902|0.112509|0.113978|0.125223|0.095821|0.125828|0.105411|0.085458|0.045041|0.047988|0.040356|0.044599|0.041530|0.040154|0.047839|0.046262|0.500000| |2.093801|2.410829|2.386735|2.706810|4.649855|0.094985|3.517175|2.894193|4.029036|0.108638|3.360940|4.756280|3.236936|5.344693|3.068284|2.641976|2.428532|2.901356|0.057096|1.934597|3.125864|1.983623|1.805067|1.853656|15.370423|2.230051|3.414587|1.688087|1.544326|1.481372|1.603665|5.715027|8.584104|17.762251|8.925133|37.704551|0.052851|0.057097|0.058053|0.064927|0.058995|0.065781|0.072966|0.071778|0.092702|0.118651|0.080780|0.078654|0.079861|0.089406|0.099654|0.077806|0.098145|0.076495|0.065535|0.044685|0.048630|0.040098|0.044069|0.039825|0.038574|0.044889|0.042787|0.201730|0.500000| 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