Version2.0 2020-02-29T11:03:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN1C(=C([C@@H](NC1=S)c2ccc(cc2)NS(=O)(=O)c3c(cc(cc3C)C)C)C(=O)OCC(C)C)C C35304169 RHF 6-31G(d) (6D,7F) CCN1C(=C([C@@H](NC1=S)c2ccc(cc2)NS(=O)(=O)c3c(cc(cc3C)C)C)C(=O)OCC(C)C)C C01[X(C27H35N3O4S2)] 207 C1 618 CCN1C(=S)N[C@H](C(=C1C)C(=O)OCC(C)C)c1ccc(cc1)NS(=O)(=O)c1c(C)cc(cc1C)C CCN1C(=S)N[C@H](C(=C1C)C(=O)OCC(C)C)c1ccc(cc1)NS(=O)(=O)c1c(C)cc(cc1C)C CCN1C(=S)N[C@@H](c2ccc(N[S](=O)(=O)c3c(C)cc(C)cc3C)cc2)C(=C1C)C(=O)OCC(C)C InChIKey=XDEANQCXUMOVGZ-DEOSSOPVSA-N InChI=1S/C27H35N3O4S2/c1-8-30-20(7)23(26(31)34-15-16(2)3)24(28-27(30)35)21-9-11-22(12-10-21)29-36(32,33)25-18(5)13-17(4)14-19(25)6/h9-14,16,24,29H,8,15H2,1-7H3,(H,28,35)/t24-/m0/s1 InChI=1/C27H35N3O4S2/c1-8-30-20(7)23(26(31)34-15-16(2)3)24(28-27(30)35)21-9-11-22(12-10-21)29-36(32,33)25-18(5)13-17(4)14-19(25)6/h9-14,16,24,29H,8,15H2,1-7H3,(H,28,35)/t24-/m0/s1/f/h28H CCN1C(=C([C@@H](NC1=S)c2ccc(cc2)NS(=O)(=O)c3c(cc(cc3C)C)C)C(=O)OCC(C)C)C C01[X(C27H35N3O4S2)] 207 C01 618 CCN1C(=S)N[C@H](C(=C1C)C(=O)OCC(C)C)c1ccc(cc1)NS(=O)(=O)c1c(C)cc(cc1C)C CCN1[C@H](S)N[C@H](C(=C1C)C(=O)OCC(C)C)c1ccc(cc1)NS(=O)(=O)c1c(C)cc(cc1C)C CCN1[C@H](S)N[C@@H](c2ccc(N[S](=O)(=O)c3c(C)cc(C)cc3C)cc2)C(=C1C)C(=O)OCC(C)C InChIKey=YGDGTBCBOKBXHT-RPLLCQBOSA-N InChI=1S/C27H37N3O4S2/c1-8-30-20(7)23(26(31)34-15-16(2)3)24(28-27(30)35)21-9-11-22(12-10-21)29-36(32,33)25-18(5)13-17(4)14-19(25)6/h9-14,16,24,27-29,35H,8,15H2,1-7H3/t24-,27+/m0/s1 InChI=1/C27H37N3O4S2/c1-8-30-20(7)23(26(31)34-15-16(2)3)24(28-27(30)35)21-9-11-22(12-10-21)29-36(32,33)25-18(5)13-17(4)14-19(25)6/h9-14,16,24,27-29,35H,8,15H2,1-7H3/t24-,27+/m0/s1 4368.7984163001 -2300.5944266 1-A 25669.0514 141 477 618 |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|A|A|A| -92.20607 -91.87207 -20.61870 -20.55748 -20.54707 -20.54556 -15.63389 -15.61030 -15.60533 -11.39415 -11.37848 -11.32725 -11.29992 -11.29289 -11.29150 -11.27591 -11.27035 -11.26920 -11.26725 -11.25825 -11.25588 -11.25017 -11.24878 -11.24771 -11.24618 -11.24574 -11.24386 -11.24091 -11.23356 -11.23332 -11.23133 -11.23002 -11.22679 -11.22392 -11.22037 -11.21399 -9.17703 -8.88348 -6.86356 -6.86317 -6.86174 -6.56701 -6.56378 -6.56306 -1.48562 -1.47577 -1.37691 -1.35289 -1.34963 -1.25899 -1.25420 -1.18091 -1.16490 -1.13275 -1.10432 -1.07841 -1.07220 -1.05729 -1.03369 -1.03273 -1.00726 -0.99083 -0.97243 -0.96117 -0.95493 -0.94795 -0.93408 -0.92252 -0.88181 -0.87071 -0.85386 -0.84879 -0.82407 -0.80714 -0.80558 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5559.21 0.632958 0.668353 0.669297 0.559198 -2299.961469 -2299.926073 -2299.925129 -2300.035228 3.692739D-04 MUNgauss RevisionA2.0 retrievium 29-Feb-2020 DUDE CCN1C(=C([C@@H](NC1=S)c2ccc(cc2)NS(=O)(=O)c3c(cc(cc3C)C)C)C(=O)OCC(C)C)C C35304169 RHF 6-31G(d) (6D,10F) C1 529.206900 |X|Y|Z| 77.836507 133.134763 43.423997 76.630478 20 6 7 16 16 3 1 |36.858105| |12.489694|36.858105| |7.542663|12.885398|53.358707| |5.561458|7.590388|18.345345|36.858105| |4.097523|5.108633|10.848988|14.273339|36.858105| |3.626214|4.410662|9.091235|7.665297|12.613684|36.858105| |3.239043|3.703553|7.069695|5.946545|9.028736|17.626486|0.500000| |4.271146|5.219508|11.290176|7.070723|7.929828|13.145943|0.257983|53.358707| |5.829006|7.787385|19.001494|7.882112|6.786634|7.634506|0.163511|19.502513|36.858105| |5.443968|6.288027|9.584189|4.753356|4.236995|4.765465|0.114316|9.952723|11.269207|388.023441| |2.994965|3.670056|6.739883|5.409750|7.505202|12.476914|0.249319|10.531560|5.539198|28.718574|36.858105| |2.484321|2.908279|5.015116|4.043022|5.377594|7.542899|0.206453|7.269429|4.048086|22.925100|13.754486|36.858105| |2.176763|2.533314|4.159474|3.270099|4.026843|5.002606|0.134083|5.488471|3.302974|19.838103|7.905716|13.736793|36.858105| |2.182886|2.585529|4.145387|3.180052|3.727858|4.412796|0.111293|5.147177|3.258097|20.002698|6.827477|7.933654|13.765072|36.858105| |2.506125|3.080151|4.976405|3.734959|4.264628|4.988508|0.116670|5.989585|3.898917|23.497093|7.887884|6.880748|7.940951|13.697069|36.858105| |3.006937|3.829296|6.669394|5.017311|5.958128|7.487863|0.155695|8.585189|5.331220|29.225785|13.683657|7.979190|6.901758|7.948416|13.797197|36.858105| |1.901865|2.211866|3.419908|2.599130|2.939217|3.320032|0.086048|4.035172|2.650712|16.921352|4.523692|5.145541|7.831565|13.402472|7.819632|5.152598|53.358707| |1.767165|2.031118|3.066112|2.257856|2.473059|2.792972|0.072791|3.583283|2.409202|16.087175|3.574533|3.859010|5.109213|7.024066|5.669815|4.095503|15.711149|388.023441| |1.888900|2.198231|3.274314|2.358170|2.523096|2.828245|0.071934|3.737801|2.577636|17.519404|3.572338|3.589242|4.392287|6.143684|6.095695|4.367247|10.464094|95.033009|73.516695| |1.576052|1.787526|2.659880|1.977100|2.148939|2.362404|0.062463|3.020387|2.055040|13.778866|2.910280|3.162674|4.049347|5.024866|4.176462|3.227621|10.655811|94.799055|13.710952|73.516695| |1.721243|1.945849|2.960315|2.154025|2.373586|2.770126|0.074131|3.625926|2.390938|16.278976|3.462809|3.860701|4.950140|5.699152|4.610532|3.707991|9.370996|75.724665|12.903242|12.891064|36.858105| |1.811048|2.042780|3.102920|2.202318|2.397663|2.849108|0.075885|3.882421|2.568941|18.025451|3.477942|3.709166|4.377684|4.890256|4.391081|3.735219|6.949716|48.643255|11.341578|8.830259|13.567277|36.858105| |1.717407|1.900858|2.880618|2.039203|2.216454|2.640309|0.072125|3.645242|2.402686|17.134328|3.087804|3.327517|3.741078|3.848762|3.485534|3.157898|5.295186|33.343612|7.738035|6.831785|7.950333|13.664645|36.858105| |1.574556|1.724304|2.611697|1.879172|2.057297|2.422433|0.067598|3.273277|2.147704|15.096577|2.797383|3.117944|3.530734|3.473901|3.041592|2.776348|4.886349|29.549404|6.460812|6.501231|6.813685|7.827123|13.815177|36.858105| |1.518169|1.669337|2.532182|1.853823|2.047500|2.380565|0.066527|3.125164|2.046771|14.069427|2.799467|3.216868|3.824633|3.747015|3.125293|2.776178|5.562644|33.538026|6.745322|7.719821|7.932545|6.833826|8.026538|13.724808|36.858105| |1.575125|1.755000|2.666959|1.966355|2.180345|2.520033|0.069224|3.254259|2.135451|14.466631|3.066923|3.549355|4.510356|4.670968|3.706566|3.126378|7.592664|49.149103|8.684880|11.132708|13.485757|7.782816|6.863951|7.853966|13.779088|36.858105| |1.472135|1.634918|2.472034|1.854184|2.060074|2.319692|0.064055|2.934440|1.938735|12.959506|2.798886|3.275814|4.203172|4.293637|3.359229|2.833034|7.413555|42.965567|7.475608|11.939061|7.324531|4.917179|4.441083|5.047093|7.723680|12.552745|36.858105| |1.477690|1.592639|2.395097|1.718649|1.867428|2.178449|0.061666|2.978032|1.968069|14.015391|2.423588|2.667087|2.889884|2.782572|2.505377|2.364093|3.832851|22.232316|5.042852|5.076815|4.425254|4.989439|7.560297|12.623528|7.574203|5.010947|3.830924|36.858105| |1.987741|2.271251|3.414683|2.358013|2.510581|2.972329|0.076846|4.207906|2.860939|20.672870|3.587085|3.552957|3.971752|4.650531|4.727363|4.083373|6.239788|41.815709|12.453652|7.589948|7.302613|12.547283|7.717953|5.050172|4.429483|4.903506|3.657922|3.826489|36.858105| |3.245162|3.789885|6.812576|7.552530|12.781631|7.659645|0.201738|6.962511|4.441513|22.670889|6.122919|5.240139|4.021053|3.594027|3.850015|4.855846|3.942644|16.936352|4.202221|3.760418|2.267399|2.229494|2.069182|1.963331|1.993569|2.131184|2.066037|1.786802|2.268015|36.858105| |2.807117|3.161237|5.510638|5.384083|8.123314|6.890864|0.216529|6.311240|3.856177|20.602594|5.804654|5.659016|4.239403|3.570322|3.608865|4.358638|3.941612|16.851669|4.084398|3.764517|2.302566|2.247161|2.112510|2.036110|2.081182|2.206664|2.152672|1.862327|2.232935|15.960865|73.516695| |3.097154|3.614467|6.005458|6.492694|7.988777|5.253288|0.134971|5.438401|3.740842|20.014893|4.721456|4.160991|3.483766|3.264686|3.523281|4.206988|3.712589|16.010805|3.996849|3.617257|2.093187|2.037616|1.879383|1.787294|1.828304|1.969303|1.938066|1.627380|2.081360|14.418425|15.345402|73.516695| |2.537295|2.852257|4.515649|4.377987|5.149135|3.999747|0.108891|4.300827|2.943021|16.606930|3.819352|3.664086|3.214247|2.978630|3.066508|3.435780|3.507457|15.098339|3.697901|3.487529|1.971722|1.889924|1.753663|1.693983|1.755173|1.890195|1.899328|1.549521|1.895886|8.124960|12.899501|23.696167|36.858105| |2.375180|2.659675|4.003668|3.714796|3.995965|3.198947|0.085159|3.636232|2.579571|15.008400|3.138753|2.989486|2.749336|2.657230|2.767016|2.999984|3.233723|14.142733|3.498046|3.317645|1.816046|1.735485|1.603571|1.546886|1.605781|1.736819|1.759162|1.416243|1.753170|5.247485|8.232135|14.101543|12.516341|36.858105| |2.533445|2.774087|4.030858|3.712402|3.715584|2.923513|0.077573|3.456355|2.530368|14.868171|2.761334|2.569341|2.348029|2.292391|2.430357|2.668234|2.805242|12.606764|3.163633|2.956128|1.635096|1.584999|1.474958|1.417395|1.455301|1.558698|1.563487|1.309188|1.619090|4.520250|6.938853|11.476902|7.514821|12.450069|36.858105| |1.998713|2.192399|3.258287|2.889068|3.122138|2.659484|0.072536|3.074608|2.164395|12.950648|2.663508|2.641081|2.500386|2.402250|2.424074|2.543399|3.009178|13.251832|3.230116|3.170309|1.706997|1.615325|1.501913|1.466585|1.536197|1.658166|1.707406|1.349206|1.609932|3.955658|6.762932|9.053901|7.656353|12.433356|7.546480|36.858105| |5.505936|6.720489|10.464842|12.603986|7.597942|4.880036|0.117551|6.191715|5.088206|26.231914|3.926326|3.196618|2.716387|2.671624|3.060061|3.786503|3.087722|14.140803|3.682375|3.166039|1.877625|1.898979|1.766059|1.645606|1.635489|1.733757|1.661063|1.517164|2.018678|6.243424|8.143899|11.848001|4.606875|4.170395|4.580402|3.137185|36.858105| |17.631500|8.830393|9.226400|4.892561|3.844077|3.606078|0.090952|6.076567|6.152937|46.061242|2.957912|2.471337|2.159467|2.150563|2.448435|2.931770|2.550224|12.493592|3.333995|2.776337|1.737819|1.849165|1.771049|1.619704|1.547099|1.591448|1.475665|1.529816|2.033927|3.041985|4.799974|5.026523|2.349561|2.173169|2.279084|1.856478|4.500655|0.500000| |17.570375|8.726981|9.196296|5.760622|4.227347|3.590561|0.091130|5.497314|5.130923|31.856155|2.911340|2.448168|2.130107|2.106339|2.380770|2.847117|2.499940|12.024200|3.172790|2.699011|1.648338|1.718469|1.636476|1.515659|1.470236|1.523147|1.434597|1.427444|1.857627|3.436293|5.268681|5.871579|2.703981|2.518726|2.741208|2.107818|6.255329|0.301248|0.500000| |17.543122|8.896225|7.537471|4.409215|3.402413|3.048050|0.076373|4.759192|4.538581|32.263724|2.620907|2.213470|1.978415|2.005417|2.294423|2.681545|2.415122|11.842290|3.180327|2.660641|1.613828|1.695570|1.607314|1.475059|1.423656|1.477821|1.385893|1.387336|1.866141|2.808328|4.366423|4.886598|2.304900|2.208554|2.378776|1.878424|4.601946|0.301487|0.301563|0.500000| |8.898185|17.699901|12.547125|5.788525|4.367901|4.069597|0.094877|6.771981|7.464611|51.677888|3.565450|2.833584|2.515845|2.619387|3.167513|3.877200|3.070372|14.990399|4.130373|3.277042|2.018307|2.144568|1.985268|1.779315|1.710108|1.799682|1.661812|1.638027|2.436317|3.321819|5.050934|5.620721|2.559446|2.408448|2.471036|2.020284|5.010346|0.214310|0.173031|0.214503|0.500000| |8.820620|17.671277|12.490866|7.372956|4.937031|4.038746|0.094685|5.985703|5.823015|33.641089|3.490908|2.800445|2.474622|2.551290|3.045061|3.711330|2.996739|14.265771|3.858965|3.165499|1.888132|1.954463|1.805292|1.646755|1.610715|1.706732|1.607381|1.515650|2.159313|3.839824|5.580754|6.868469|3.031095|2.905068|3.089977|2.355163|7.829856|0.173367|0.207677|0.214730|0.305403|0.500000| |3.719181|4.331000|8.182619|5.163515|5.734746|9.081722|0.219241|26.031601|9.745654|52.007083|6.904941|5.235840|4.050248|3.769216|4.262090|5.740639|4.057848|19.254147|5.006703|4.023971|2.832910|3.114966|2.974741|2.640633|2.470518|2.535015|2.240834|2.409616|3.383006|4.201320|7.141170|5.997698|2.783431|2.381516|2.256021|2.059702|3.678454|0.111241|0.096947|0.087000|0.119942|0.102425|0.500000| |2.390983|2.722532|4.672385|3.817930|5.122950|7.014098|0.229480|6.779851|3.755147|21.447590|8.926549|17.724606|8.938780|5.652465|4.956770|5.660122|5.685095|23.385079|5.391663|4.974106|3.403401|3.290047|3.084124|2.981541|3.072843|3.273207|3.068639|2.625474|3.096529|5.295494|11.285477|7.252120|3.697187|2.941733|2.535674|2.637806|3.073980|0.066507|0.066424|0.059030|0.072706|0.072512|0.137148|0.500000| |1.955656|2.228863|3.588158|2.818546|3.407520|4.086460|0.114835|4.617624|2.829662|17.421953|5.635098|8.914635|17.709751|8.920594|5.644073|4.966412|9.768352|34.962194|7.085396|7.333185|5.025154|4.236432|3.746378|3.728259|4.242523|5.021079|4.913035|3.048774|3.630848|3.515695|6.804066|5.510677|2.972562|2.562100|2.186694|2.397877|2.406670|0.054077|0.053507|0.049719|0.061362|0.060607|0.095825|0.215950|0.500000| |2.426550|2.987348|4.619240|3.386172|3.668823|4.068745|0.096364|5.157371|3.551950|22.312646|5.620648|4.959990|5.657894|8.932459|17.766787|8.905413|9.799673|42.162667|13.021702|7.794685|4.442321|4.251827|3.318628|2.866997|2.935777|3.501137|3.193381|2.368971|4.823588|3.319019|5.468295|5.605122|2.775891|2.591771|2.310942|2.285450|2.867035|0.065513|0.063427|0.062711|0.087104|0.083085|0.102195|0.107657|0.124321|0.500000| |3.467988|4.681044|8.170604|5.735099|6.114329|6.933701|0.140371|9.065949|6.357102|34.005974|8.888932|5.659012|4.967047|5.661671|8.986905|17.717701|5.694095|25.307203|7.045661|5.119570|3.223364|3.326589|2.855551|2.498685|2.463385|2.730656|2.483307|2.165938|3.787124|4.636869|7.072900|7.377056|3.302278|2.955007|2.709179|2.467993|4.233068|0.092686|0.089040|0.085571|0.134924|0.125710|0.160462|0.124172|0.107754|0.216038|0.500000| |1.774768|2.038291|3.139375|2.419665|2.749767|3.055360|0.081048|3.668776|2.408395|15.349096|4.025982|4.770307|7.213766|9.209236|5.850871|4.311442|25.986182|60.954631|10.216690|13.658651|6.006461|4.395502|3.547448|3.437288|4.072472|5.575474|6.185182|2.738549|3.821940|2.793180|5.058167|4.714016|2.572558|2.375504|2.039271|2.255231|2.144285|0.048513|0.048029|0.046082|0.057183|0.056593|0.075035|0.112643|0.211707|0.149195|0.099189|0.500000| |1.752294|1.925827|2.900096|2.020847|2.170150|2.586943|0.070597|3.676250|2.448514|17.958644|2.939457|3.072151|3.306128|3.384298|3.203995|3.002804|4.521421|27.596696|6.796940|5.753632|5.659380|8.965183|17.727961|8.985174|5.689944|4.948125|3.551671|7.029103|7.333426|1.999373|3.608410|3.222672|1.680469|1.538424|1.429018|1.435099|1.747757|0.050648|0.046136|0.045599|0.056253|0.050369|0.084558|0.079823|0.090181|0.085405|0.077158|0.084066|0.500000| |1.421255|1.549914|2.342549|1.727373|1.907284|2.190303|0.061906|2.857552|1.877235|12.867913|2.528759|2.919485|3.408680|3.260972|2.738567|2.472250|4.822798|27.778030|5.671398|6.751070|5.644299|4.931154|5.690372|8.945299|17.711198|8.983576|7.303635|7.056389|3.543719|1.881361|3.520556|3.080207|1.682397|1.541514|1.397219|1.489287|1.538362|0.040196|0.038451|0.037087|0.043843|0.041659|0.062314|0.079344|0.107350|0.071503|0.061356|0.101382|0.124935|0.500000| |1.405735|1.559910|2.331353|1.742672|1.912122|2.119665|0.058011|2.704665|1.814312|12.221812|2.529650|2.871882|3.595902|3.832207|3.116819|2.614869|6.804118|42.647149|7.537119|14.041571|6.409315|4.457654|3.962926|4.339776|6.045931|8.815139|17.643989|3.404703|3.465194|1.914379|3.507292|3.234453|1.786962|1.678811|1.499096|1.635507|1.576328|0.039034|0.037982|0.036986|0.044205|0.042807|0.057034|0.074361|0.111706|0.084908|0.064742|0.155446|0.090243|0.160434|0.500000| |1.532891|1.713018|2.609374|1.983570|2.229421|2.500122|0.068954|3.093268|2.030299|13.329181|3.074504|3.691160|4.968455|5.019676|3.728926|3.095561|9.044894|44.726377|7.612943|12.202461|6.519034|4.478926|3.933576|4.259960|5.880688|8.746273|17.586652|3.333835|3.495740|2.267223|4.218328|3.787768|2.101572|1.938171|1.699153|1.884480|1.775710|0.042448|0.041643|0.039963|0.048074|0.047019|0.064887|0.095203|0.168999|0.096706|0.074144|0.236971|0.089657|0.154519|0.304105|0.500000| |1.396538|1.535980|2.319252|1.743609|1.937236|2.174408|0.060916|2.754042|1.817718|12.180448|2.564319|3.012930|3.717634|3.620663|2.908747|2.537695|5.825887|32.111365|6.065129|8.705541|5.512599|4.160428|4.047153|4.897205|7.611741|8.925328|17.603808|3.947760|3.169744|1.957378|3.663894|3.258638|1.811390|1.673758|1.492287|1.638116|1.570039|0.038988|0.037971|0.036527|0.043175|0.041875|0.058541|0.080775|0.122606|0.076311|0.062317|0.134045|0.091969|0.242711|0.300794|0.303571|0.500000| |1.371063|1.472279|2.191580|1.574630|1.697959|1.948501|0.054915|2.660738|1.781748|12.734973|2.155802|2.351575|2.557327|2.500798|2.266037|2.125637|3.517194|20.708818|4.711930|4.882922|3.978532|4.326998|5.996140|8.871330|6.610772|4.564397|3.657937|17.542842|3.417210|1.633568|3.015487|2.672088|1.439712|1.327190|1.230038|1.271565|1.404520|0.039318|0.036816|0.035968|0.042094|0.039109|0.059127|0.064201|0.075012|0.060365|0.054573|0.070422|0.156791|0.185058|0.093259|0.086992|0.106299|0.500000| |1.460447|1.566970|2.369556|1.715738|1.878791|2.193167|0.063041|2.964062|1.941096|13.658218|2.420266|2.710058|2.908008|2.716409|2.420895|2.310643|3.698901|20.647461|4.631121|4.758729|3.964750|4.242998|5.801936|8.854499|6.868468|4.637994|3.743519|17.556826|3.334167|1.815628|3.404009|2.926694|1.577008|1.432687|1.321168|1.370600|1.516462|0.041987|0.039439|0.037972|0.044409|0.041444|0.066464|0.075741|0.086866|0.062813|0.058502|0.074586|0.149343|0.199606|0.090627|0.092184|0.111091|0.302232|0.500000| |1.523232|1.634237|2.451348|1.738675|1.875208|2.196882|0.062086|3.064937|2.034882|14.751985|2.406265|2.592292|2.738050|2.648198|2.446626|2.349191|3.570789|20.588359|4.831949|4.633918|3.958572|4.730759|7.230152|8.839514|5.584735|4.162306|3.244365|17.589656|3.874746|1.772462|3.266654|2.860668|1.520445|1.389126|1.293229|1.315956|1.529667|0.044119|0.040712|0.039714|0.046897|0.042903|0.069702|0.070875|0.078380|0.064437|0.060468|0.069898|0.222556|0.141367|0.081536|0.080693|0.090917|0.301657|0.301376|0.500000| |1.885353|2.150153|3.165570|2.189167|2.297447|2.639206|0.068032|3.719236|2.593864|18.867147|3.136321|3.082288|3.457630|4.134083|4.270333|3.630423|5.861638|41.882367|13.945227|7.920247|6.415436|8.805795|6.001894|4.320469|3.944140|4.447161|3.471488|3.383738|17.637464|2.092846|3.637324|3.473312|1.790876|1.679901|1.557281|1.549282|1.907027|0.053244|0.048871|0.049707|0.064394|0.057378|0.081271|0.075183|0.088810|0.128291|0.095936|0.100608|0.159463|0.089856|0.095018|0.091603|0.083177|0.087190|0.082009|0.094349|0.500000| |2.009042|2.266661|3.388163|2.300500|2.424408|2.883289|0.075196|4.217072|2.889596|21.679945|3.339941|3.264087|3.484481|3.863475|3.987122|3.683718|5.036000|31.480592|8.958957|6.151597|5.514866|8.943203|7.661583|4.929072|4.053671|4.165399|3.175493|3.961477|17.601169|2.168414|3.800826|3.518594|1.797594|1.658896|1.547606|1.522398|1.967133|0.057834|0.051916|0.052398|0.067944|0.059110|0.096313|0.080971|0.089288|0.111030|0.097348|0.088716|0.246248|0.092107|0.083355|0.083886|0.078998|0.097435|0.094703|0.117188|0.301294|0.500000| |2.206366|2.577421|3.935547|2.703910|2.891444|3.475017|0.087440|4.923781|3.326810|23.534313|4.349052|4.141450|4.584674|5.632216|6.197290|5.246843|6.997316|42.816090|13.543130|7.468778|6.470052|8.776437|5.917017|4.280238|3.931152|4.458262|3.485805|3.346575|17.641507|2.564115|4.431759|4.157484|2.097017|1.928645|1.774655|1.748509|2.273039|0.062396|0.056992|0.057104|0.077147|0.067948|0.109286|0.096722|0.110543|0.175355|0.133834|0.114429|0.156379|0.089598|0.090927|0.096312|0.083763|0.082751|0.084008|0.093870|0.304322|0.302144|0.500000| |2.469011|2.693701|4.238371|4.043435|4.686027|3.721321|0.105317|4.081199|2.788893|15.907657|3.424976|3.335213|2.904745|2.652680|2.700741|3.026649|3.152411|13.810505|3.372425|3.204297|1.837000|1.772244|1.665962|1.619948|1.671534|1.777774|1.783938|1.497993|1.770104|7.158535|12.674587|16.491924|17.590735|8.788857|6.864554|6.809285|4.307649|0.063984|0.074245|0.062213|0.066811|0.078427|0.073992|0.096638|0.075934|0.068080|0.081103|0.064472|0.044554|0.044790|0.046536|0.054413|0.047725|0.038684|0.042579|0.040923|0.046354|0.047033|0.053914|0.500000| |2.334205|2.635396|4.205024|3.936976|4.819845|4.035544|0.111521|4.251624|2.835785|16.148818|4.077076|4.120502|3.663115|3.316161|3.300807|3.610152|3.895894|16.370468|3.937902|3.789305|2.129943|2.012575|1.860553|1.808888|1.895810|2.056887|2.088830|1.643459|1.990624|7.440862|13.528518|16.560316|17.633722|8.817408|5.481171|7.098165|3.885903|0.060910|0.067997|0.059036|0.066974|0.076639|0.077664|0.116207|0.095093|0.081705|0.092990|0.080589|0.049057|0.050564|0.054245|0.065069|0.055300|0.042340|0.046620|0.044469|0.052055|0.052010|0.061110|0.302320|0.500000| |2.398741|2.750291|4.117352|3.773582|4.021478|3.252112|0.084355|3.707790|2.647923|15.425189|3.302692|3.105823|2.910412|2.890269|3.056670|3.269894|3.524328|15.272157|3.804093|3.576839|1.922129|1.827716|1.669050|1.599648|1.664826|1.820222|1.844860|1.452025|1.857632|5.014238|7.659658|13.132970|8.997808|17.523814|8.901642|8.900315|4.154727|0.060746|0.069446|0.062271|0.069977|0.084464|0.067418|0.082526|0.074396|0.080407|0.089870|0.071494|0.044337|0.044142|0.049138|0.056686|0.048303|0.037823|0.040571|0.039507|0.049692|0.048444|0.057126|0.174397|0.213294|0.500000| |2.445113|2.604471|3.789615|3.455823|3.481215|2.777698|0.075389|3.305487|2.406868|14.244749|2.575997|2.426777|2.203386|2.120181|2.220789|2.442180|2.600479|11.775028|2.939238|2.767563|1.548268|1.505847|1.414317|1.366450|1.400043|1.487040|1.491222|1.271574|1.530484|4.261551|6.805561|10.078013|6.806664|8.774760|17.520684|6.814548|4.225828|0.061633|0.074571|0.063645|0.064261|0.079073|0.060300|0.067777|0.057583|0.058357|0.068475|0.052732|0.038162|0.037512|0.039618|0.044845|0.039812|0.033195|0.035795|0.034933|0.040775|0.040875|0.046317|0.203509|0.140124|0.173397|0.500000| |2.334788|2.541234|3.596675|3.186440|3.139419|2.554408|0.067607|3.083274|2.279195|13.693171|2.457762|2.301116|2.145851|2.125438|2.251549|2.424207|2.646093|12.013093|3.024740|2.843030|1.548654|1.498272|1.392935|1.339443|1.377271|1.477068|1.488097|1.238373|1.532866|3.647196|5.726219|8.627406|5.482000|8.797898|17.552351|6.923618|3.873239|0.058383|0.069444|0.061986|0.063799|0.079094|0.056534|0.062668|0.055849|0.060401|0.068686|0.053541|0.037493|0.036786|0.039915|0.044794|0.039446|0.032474|0.034623|0.033954|0.041265|0.040666|0.046446|0.140221|0.123003|0.212518|0.301680|0.500000| |2.939875|3.258709|4.697206|4.441273|4.227364|3.192641|0.082997|3.810363|2.847475|16.481463|2.948212|2.661286|2.399867|2.361123|2.559744|2.872625|2.854765|12.885597|3.271791|2.990404|1.672653|1.636032|1.519162|1.448126|1.476059|1.579723|1.567871|1.336010|1.689625|4.924509|7.150272|12.733346|6.790358|8.757247|17.589070|5.481333|5.986587|0.071994|0.089162|0.076266|0.078977|0.103391|0.068045|0.072244|0.061230|0.067735|0.082831|0.056929|0.041075|0.039151|0.041731|0.047143|0.041411|0.034783|0.037323|0.036830|0.045083|0.044995|0.051776|0.169439|0.139013|0.213367|0.301139|0.302095|0.500000| |1.898353|2.094911|3.143576|2.757076|3.049533|2.674723|0.073337|3.062426|2.125559|12.758782|2.754711|2.803682|2.703022|2.580184|2.547498|2.623184|3.258283|14.144097|3.401294|3.405274|1.812101|1.694763|1.571000|1.542112|1.630930|1.771627|1.845487|1.411826|1.672125|3.868687|6.833926|8.436637|6.973437|8.740298|5.477694|17.546953|2.883861|0.049418|0.055059|0.049470|0.054190|0.061877|0.057457|0.077787|0.072838|0.066335|0.069390|0.068808|0.041404|0.044022|0.049012|0.057154|0.049177|0.036959|0.039918|0.038027|0.044659|0.043654|0.050368|0.167685|0.213668|0.213119|0.139203|0.141257|0.122429|0.500000| |1.895512|2.070677|3.014321|2.618035|2.755539|2.372339|0.064190|2.802520|2.000177|12.147991|2.388285|2.352981|2.261367|2.213125|2.247173|2.329674|2.816754|12.572963|3.083718|3.033619|1.609947|1.524227|1.415922|1.381138|1.445805|1.561580|1.611467|1.272414|1.525367|3.329976|5.626367|7.441921|5.536725|8.791052|6.917469|17.562678|2.877085|0.048773|0.055295|0.050059|0.053353|0.062244|0.052425|0.064662|0.060342|0.059825|0.063476|0.058560|0.037642|0.038958|0.043240|0.049154|0.042912|0.033468|0.035779|0.034493|0.041080|0.040077|0.045844|0.139582|0.143461|0.212583|0.169467|0.208720|0.141307|0.301892|0.500000| |1.939292|2.089977|3.104920|2.741080|2.960829|2.538530|0.070524|2.953653|2.073974|12.469534|2.491610|2.488307|2.332492|2.209237|2.215029|2.340623|2.767000|12.315937|2.993957|2.948354|1.611181|1.532503|1.438678|1.411932|1.474484|1.576179|1.619981|1.309420|1.522043|3.758823|6.626617|8.255112|6.904188|8.756397|6.807301|17.526757|2.984010|0.050296|0.057331|0.050565|0.053297|0.061768|0.055192|0.070365|0.062715|0.057785|0.063098|0.057678|0.038309|0.039902|0.042982|0.049386|0.043519|0.034288|0.037112|0.035529|0.040572|0.040237|0.045676|0.201167|0.174385|0.173273|0.201136|0.169572|0.139134|0.301262|0.301934|0.500000| |6.957739|7.385497|9.845084|8.870106|5.770632|4.172879|0.103630|5.670057|4.867596|26.508043|3.364434|2.795904|2.404913|2.368118|2.687405|3.259460|2.777825|12.966347|3.388248|2.916952|1.740230|1.775474|1.666856|1.553880|1.533557|1.611572|1.539021|1.445589|1.894375|4.806619|6.791005|8.780887|3.759494|3.489310|3.938333|2.746512|17.662105|0.147971|0.248889|0.157892|0.145413|0.233178|0.095837|0.075504|0.059899|0.070780|0.101314|0.053659|0.046193|0.040165|0.040681|0.045326|0.040586|0.037268|0.040110|0.040704|0.049859|0.051825|0.058704|0.101434|0.089889|0.095445|0.104696|0.095631|0.138387|0.070137|0.071075|0.073857|0.500000| |4.363268|4.910111|7.720399|8.903418|7.186196|4.600131|0.116522|5.521629|4.235183|22.519231|3.739468|3.164625|2.684569|2.589054|2.880529|3.486027|3.010093|13.658834|3.501173|3.086706|1.817811|1.819872|1.701095|1.602822|1.604850|1.698930|1.644165|1.482515|1.903595|7.183437|9.240083|14.928280|5.677400|4.966210|5.645579|3.609440|17.740565|0.104077|0.140125|0.104538|0.108921|0.151262|0.093205|0.086478|0.066921|0.074275|0.103497|0.058849|0.046513|0.042213|0.043248|0.049056|0.043401|0.038168|0.041425|0.041322|0.049921|0.051377|0.059051|0.151801|0.125028|0.129874|0.148245|0.124585|0.211223|0.090134|0.089990|0.096715|0.303545|0.500000| 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