Version2.0 2020-07-29T02:27:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](C)[C@H]1C(=O)N(C2([NH2+]1)CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F)Cc4ccc(cc4)F C36024455 RHF 6-31G(d) (6D,7F) CC[C@@H](C)[C@H]1C(=O)N(C2([NH2+]1)CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F)Cc4ccc(cc4)F C01[X(C25H30F4N3O3S1)] 192 C1 604 CC[C@H]([C@@H]1[NH2+]C2(N(C1=O)Cc1ccc(cc1)F)CCN(CC2)S(=O)(=O)c1cccc(c1)C(F)(F)F)C CC[C@H]([C@@H]1[NH2+]C2(N(C1=O)Cc1ccc(cc1)F)CCN(CC2)S(=O)(=O)c1cccc(c1)C(F)(F)F)C CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(CC2)[S](=O)(=O)c3cccc(c3)C(F)(F)F)N(Cc4ccc(F)cc4)C1=O InChIKey=UDELHUZLKZUNEU-VGSWGCGISA-O InChI=1S/C25H29F4N3O3S/c1-3-17(2)22-23(33)32(16-18-7-9-20(26)10-8-18)24(30-22)11-13-31(14-12-24)36(34,35)21-6-4-5-19(15-21)25(27,28)29/h4-10,15,17,22,30H,3,11-14,16H2,1-2H3/p+1/t17-,22+/m1/s1 InChI=1/C25H29F4N3O3S/c1-3-17(2)22-23(33)32(16-18-7-9-20(26)10-8-18)24(30-22)11-13-31(14-12-24)36(34,35)21-6-4-5-19(15-21)25(27,28)29/h4-10,15,17,22,30H,3,11-14,16H2,1-2H3/p+1/t17-,22+/m1/s1/fC25H30F4N3O3S/h30H/q+1 CC[C@@H](C)[C@H]1C(=O)N(C2([NH2+]1)CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F)Cc4ccc(cc4)F C01[X(C25H30F4N3O3S1)] 192 C01 604 CC[C@H]([C@@H]1[NH2+]C2(N(C1=O)Cc1ccc(cc1)F)CCN(CC2)S(=O)(=O)c1cccc(c1)C(F)(F)F)C CC[C@H]([C@@H]1[NH2][C@]2(N(C1=O)C[C]1[CH][CH][C]([CH][CH]1)F)CCN(CC2)[S@]([O])(=O)[C]1[CH][CH][CH][C]([CH]1)C(F)(F)F)C CC[C@@H](C)[C@@H]1[NH2]C2(CCN(CC2)[S]([O])(=O)[C]3[CH][CH][CH][C]([CH]3)C(F)(F)F)N(C[C]4[CH][CH][C](F)[CH][CH]4)C1=O InChIKey=ZDCQWRFMAKZDSM-VGSWGCGISA-N InChI=1S/C25H30F4N3O3S/c1-3-17(2)22-23(33)32(16-18-7-9-20(26)10-8-18)24(30-22)11-13-31(14-12-24)36(34,35)21-6-4-5-19(15-21)25(27,28)29/h4-10,15,17,22H,3,11-14,16,30H2,1-2H3/t17-,22+/m1/s1 InChI=1/C25H30F4N3O3S/c1-3-17(2)22-23(33)32(16-18-7-9-20(26)10-8-18)24(30-22)11-13-31(14-12-24)36(34,35)21-6-4-5-19(15-21)25(27,28)29/h4-10,15,17,22H,3,11-14,16,30H2,1-2H3/t17-,22+/m1/s1 4361.8067800233 -2147.1320076 1-A 24431.0808 138 466 604 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.34310 -26.42521 -26.42406 -26.41742 -26.39184 -20.69423 -20.68456 -20.67444 -15.83602 -15.74133 -15.73371 -11.59384 -11.49996 -11.49677 -11.44423 -11.41762 -11.41442 -11.41016 -11.39806 -11.39342 -11.39280 -11.38412 -11.38079 -11.37701 -11.37340 -11.37005 -11.36880 -11.35771 -11.34512 -11.34342 -11.33920 -11.33699 -11.32924 -11.32916 -11.32611 -11.30349 -9.31490 -7.00137 -7.00094 -6.99956 -1.82285 -1.72143 -1.71602 -1.71181 -1.61441 -1.55466 -1.50218 -1.48761 -1.40084 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0.577139 0.608583 0.609527 0.507956 -2146.554869 -2146.523425 -2146.522481 -2146.624052 3.406708D-04 MUNgauss RevisionA2.0 retrievium 29-Jul-2020 DUDE CC[C@@H](C)[C@H]1C(=O)N(C2([NH2+]1)CCN(CC2)S(=O)(=O)c3cccc(c3)C(F)(F)F)Cc4ccc(cc4)F C36024455 RHF 6-31G(d) (6D,10F) C1 528.194402 |X|Y|Z| 69.881363 35.854601 135.137485 69.699132 24 6 7 16 20 3 1 |36.858105| |12.453128|36.858105| |7.408350|12.348188|36.858105| |6.987733|8.854521|17.500620|0.500000| |6.016906|7.484762|12.405909|0.245846|36.858105| |4.892468|7.572255|12.359265|0.247576|7.517607|36.858105| |4.563428|7.121820|8.790507|0.174459|6.620388|17.589161|0.500000| |4.228025|5.919157|7.306001|0.194892|4.865767|12.480491|0.247066|36.858105| |4.452405|6.035322|6.227122|0.173524|4.190595|7.875796|0.183853|16.020595|73.516695| |3.303019|4.234481|5.268440|0.146627|4.073606|8.120493|0.181282|13.999412|14.900032|53.358707| |3.046169|3.859013|5.029195|0.133658|4.329581|7.805748|0.185229|8.093431|9.695577|17.877503|36.858105| |3.733306|4.924584|7.505495|0.185565|6.561021|12.684361|0.252672|8.192028|9.741654|11.490500|12.557426|53.358707| |3.758758|4.691959|7.420197|0.209250|6.746403|9.276130|0.182735|6.975468|8.941758|9.863511|9.227547|25.696813|0.500000| |3.483558|4.475997|6.439031|0.152886|6.751936|8.950023|0.226113|5.892129|7.762838|8.171004|8.896888|25.440814|0.328773|0.500000| |2.705236|3.409717|4.084618|0.103632|3.697906|6.002302|0.173942|5.937242|7.995658|10.446561|12.386153|10.354638|0.158598|0.200236|36.858105| |2.426998|2.958308|3.523665|0.089187|3.482549|4.653436|0.137166|4.199033|6.012915|6.696762|7.347130|8.314290|0.137173|0.193445|12.321366|36.858105| |2.331136|2.762463|3.386631|0.088690|3.461582|4.224765|0.115744|3.803227|5.480331|6.167129|6.883565|8.179633|0.148745|0.193445|7.679334|13.021487|53.358707| |2.247293|2.628184|3.221653|0.088009|3.157220|3.988619|0.103938|3.889624|5.628376|6.797867|7.434415|7.635022|0.149260|0.157115|6.912057|7.759344|17.746511|36.858105| |2.591669|3.084455|3.924104|0.110427|3.620208|5.073263|0.122814|5.246870|7.207192|10.337073|12.350225|10.334577|0.210432|0.180726|7.510552|6.288519|10.450691|12.385646|36.858105| |2.379725|2.760026|3.426020|0.089307|3.809454|3.950866|0.107655|3.341123|4.918994|5.020430|5.084829|7.468450|0.145795|0.195204|5.072870|7.088053|15.799488|7.062755|5.471046|388.023441| |2.263008|2.552000|3.176958|0.086440|3.512730|3.507717|0.091680|3.076389|4.601956|4.666206|4.503165|6.512657|0.140101|0.153776|4.112352|5.005881|10.557662|6.809505|5.440530|94.957689|73.516695| |2.806123|3.331187|4.260778|0.105882|5.085993|4.858939|0.135262|3.746402|5.449945|5.298081|5.260004|9.149124|0.170690|0.284848|5.154893|6.556252|10.451648|5.298936|4.906713|93.478922|13.667919|73.516695| |2.033231|2.308352|2.709169|0.070358|3.013451|3.029498|0.085838|2.636671|4.034127|3.869438|3.620288|5.118655|0.099109|0.125882|3.911438|5.531051|9.494829|4.846509|3.781048|76.972748|12.915398|13.069445|36.858105| |1.791060|2.000077|2.311189|0.061245|2.515607|2.555608|0.071510|2.306726|3.586886|3.424688|3.111512|4.227742|0.083725|0.098605|3.319746|4.429814|7.622462|4.456083|3.398495|49.845775|11.149658|8.778979|13.699279|36.858105| |1.621981|1.792159|2.022958|0.053540|2.195458|2.206431|0.062440|2.009852|3.179728|2.939630|2.583456|3.512962|0.069386|0.080612|2.788953|3.579934|5.593737|3.429467|2.749877|33.864810|7.728533|6.814480|7.983876|13.807656|36.858105| |1.625002|1.794675|1.997898|0.052245|2.187123|2.164020|0.062292|1.950008|3.104266|2.799296|2.430717|3.365362|0.065694|0.077808|2.663058|3.392768|4.965459|2.992066|2.492061|30.051560|6.545470|6.595073|6.932525|7.943537|13.717857|36.858105| |1.799094|2.006738|2.238128|0.057569|2.490515|2.428862|0.071033|2.136961|3.380126|3.026598|2.650704|3.764961|0.072395|0.089240|2.938135|3.811364|5.384127|3.102309|2.632222|33.806597|6.857238|7.927949|7.994341|6.852615|7.917237|13.761631|36.858105| |2.042045|2.316831|2.654115|0.067603|2.998101|2.926131|0.085537|2.508055|3.886618|3.567606|3.234380|4.698156|0.089306|0.116119|3.584085|4.898954|7.119532|3.799606|3.184676|49.756596|8.922034|11.718183|13.775310|7.866207|6.842613|7.931926|13.743222|36.858105| |1.754191|1.941681|2.112475|0.053946|2.354526|2.256143|0.066936|1.983643|3.183550|2.751620|2.345377|3.367815|0.064557|0.078793|2.599205|3.211263|4.316359|2.572049|2.271356|25.972289|5.424321|6.579981|5.062001|4.444052|5.027219|7.588171|12.639568|7.626961|36.858105| |1.577939|1.734902|1.863849|0.047995|2.036455|1.992666|0.058956|1.789513|2.901813|2.492541|2.093273|2.942223|0.056580|0.067351|2.329771|2.822938|3.764905|2.310633|2.041507|21.630229|4.658477|5.345027|4.061435|3.859821|4.611758|6.906537|8.149776|5.338566|14.449213|97.533100| |1.741182|1.897299|2.056420|0.052723|2.333479|2.141012|0.062913|1.872479|3.024805|2.569280|2.163636|3.166525|0.061643|0.073755|2.329166|2.787859|3.826415|2.334926|2.103713|23.661496|5.129847|6.139630|4.359695|3.885210|4.310806|5.950797|8.144952|6.049936|14.435870|20.137085|97.533100| |1.895676|2.124857|2.288007|0.057491|2.544491|2.462343|0.074782|2.140245|3.433485|2.931130|2.490473|3.607569|0.067877|0.084896|2.814046|3.454524|4.411028|2.598605|2.337926|25.789219|5.239649|6.903323|4.637600|3.863810|4.050451|5.348653|8.155834|6.927600|14.394094|20.073026|20.147075|97.533100| |2.779891|3.369121|3.852414|0.110108|3.119847|5.079293|0.124939|7.753586|12.005173|17.619667|7.375017|7.019675|0.133318|0.115642|5.816770|4.035149|5.116759|4.352181|6.072735|21.645395|5.165871|5.464800|2.464255|2.255153|1.968215|1.865194|1.978321|2.271556|1.807312|3.748862|3.792863|4.293934|36.858105| |2.579207|2.975069|3.406071|0.102458|2.829861|4.077577|0.098370|5.576131|9.299789|10.317672|5.465212|5.803380|0.120040|0.098026|4.246150|3.296528|4.474094|3.960188|5.493242|19.684425|4.928587|4.869350|2.254037|2.106857|1.843404|1.729281|1.808326|2.055591|1.648333|3.433969|3.496311|3.858577|12.573103|36.858105| |2.180170|2.459252|2.781296|0.082481|2.418393|3.246432|0.080959|4.050966|6.770760|7.167910|4.468680|4.778166|0.099184|0.084505|3.734444|3.060094|4.253598|3.895005|4.992940|18.587196|4.739600|4.446229|2.173970|2.081156|1.828842|1.696899|1.746617|1.962406|1.583009|3.327025|3.350021|3.665859|7.558204|13.731412|36.858105| |2.011715|2.205884|2.469487|0.074260|2.187187|2.755463|0.068870|3.295093|5.646531|5.405585|3.514372|4.023631|0.085652|0.072639|2.983032|2.565166|3.641628|3.276106|3.991525|16.543771|4.321615|3.947743|1.965456|1.906984|1.690234|1.564966|1.597487|1.776597|1.452748|3.065644|3.101016|3.337174|5.007670|7.881296|13.734380|36.858105| |2.121620|2.282920|2.545257|0.078469|2.237703|2.745130|0.067671|3.270554|5.742851|5.097972|3.252813|3.918346|0.085264|0.070389|2.710869|2.345948|3.334904|2.913261|3.583209|15.644534|4.115525|3.805339|1.854588|1.787335|1.589199|1.481064|1.519388|1.689852|1.391193|2.926540|2.996453|3.198932|4.454853|6.898495|8.025183|13.848213|36.858105| |2.479077|2.669516|2.986688|0.094732|2.543350|3.179437|0.076546|3.908051|7.024675|5.889537|3.559568|4.403322|0.096946|0.077280|2.872926|2.436026|3.422192|2.925280|3.731361|16.217910|4.221919|4.044769|1.897080|1.797861|1.594174|1.498276|1.554939|1.742638|1.430997|2.990766|3.091939|3.315148|5.009633|7.895121|6.881458|7.900766|13.786011|36.858105| |2.806896|3.147483|3.578788|0.113273|2.919938|3.995992|0.094026|5.365837|9.596782|8.385671|4.550131|5.436131|0.117588|0.091844|3.520125|2.845061|3.911701|3.338968|4.502181|18.109714|4.604504|4.579161|2.081159|1.940902|1.708470|1.612275|1.690534|1.915541|1.554085|3.230550|3.336391|3.634216|7.532679|13.673236|7.963245|6.863566|8.010489|13.794444|36.858105| |1.920255|2.023032|2.226771|0.068427|1.999411|2.342887|0.058464|2.695283|4.767619|4.068738|2.686810|3.332443|0.072696|0.061120|2.297180|2.043663|2.923443|2.511909|2.960569|14.007894|3.720895|3.398889|1.689457|1.644670|1.475589|1.375335|1.401964|1.544548|1.288369|2.722184|2.790699|2.945748|3.402463|4.664418|5.319262|8.186762|14.402782|8.178770|5.319574|97.533100| |17.548954|8.774260|6.758794|0.208968|5.343484|4.590426|0.113471|4.209736|8.032718|4.535446|3.011177|4.934098|0.104793|0.091943|2.608308|2.324800|3.089052|2.235231|2.616037|16.387198|3.976005|4.730356|1.954437|1.739820|1.571086|1.559322|1.708250|1.934654|1.651083|3.356857|3.686350|3.969796|2.846222|2.717063|2.282664|2.129835|2.288169|2.722499|3.053135|4.668991|0.500000| |17.578953|8.849454|5.445742|0.142437|4.606784|4.095027|0.110744|3.717220|7.197473|4.019275|2.705873|4.338651|0.087688|0.083389|2.468975|2.220355|2.872657|2.035634|2.315903|15.179615|3.597476|4.410416|1.861381|1.652407|1.511589|1.522233|1.680507|1.883680|1.654923|3.377394|3.694937|4.036232|2.561509|2.373189|2.025747|1.875879|1.973211|2.286242|2.566547|4.044718|0.302406|0.500000| |17.579921|8.698439|6.596418|0.170082|6.522800|4.391277|0.115541|3.657297|6.559907|4.055704|2.854200|4.830917|0.100404|0.095108|2.557951|2.360832|3.124790|2.187212|2.476342|17.112140|4.080372|5.103750|2.071517|1.818602|1.651016|1.661803|1.847835|2.096155|1.810696|3.643672|4.090783|4.393068|2.509952|2.348085|2.020403|1.878134|1.973434|2.271134|2.529012|4.057729|0.301190|0.303087|0.500000| |8.841844|17.505171|8.855256|0.174205|7.045240|6.762315|0.207416|5.106416|8.977208|5.226481|3.650256|6.274856|0.117348|0.122822|3.405882|3.021941|3.755736|2.555083|2.906805|19.743287|4.457913|6.065952|2.370421|2.034252|1.836053|1.862974|2.109544|2.432224|2.069895|4.144571|4.546569|5.181820|3.090078|2.686769|2.266467|2.028473|2.068351|2.365871|2.761718|4.149417|0.172803|0.212229|0.210656|0.500000| |8.922064|17.623358|8.831673|0.208064|5.496589|7.254480|0.190430|6.810694|14.177954|6.240546|3.909264|6.330278|0.121239|0.113674|3.468992|2.906746|3.641163|2.593460|3.083193|18.397627|4.264191|5.384636|2.176335|1.907233|1.713855|1.709343|1.894431|2.169552|1.829653|3.717145|3.987687|4.498343|3.729101|3.234709|2.623307|2.330489|2.412674|2.853838|3.436210|4.764334|0.210963|0.217900|0.173135|0.303323|0.500000| |5.267887|6.734077|8.747969|0.172804|17.537406|6.855061|0.195821|4.452044|6.851708|5.152531|4.130069|8.187429|0.156586|0.187662|3.776789|3.665640|4.794807|3.085762|3.401976|27.843257|6.117959|9.750772|3.194896|2.612670|2.298314|2.332881|2.717725|3.296191|2.609234|5.014435|5.808651|6.493258|2.937164|2.609285|2.259972|2.033042|2.050467|2.293178|2.628070|4.135499|0.124356|0.119672|0.159489|0.207651|0.141226|0.500000| |4.630675|5.427215|8.637538|0.211250|17.547084|6.693259|0.158547|4.568843|6.804541|5.589982|4.615863|9.846664|0.228715|0.217992|3.820689|3.712440|5.297577|3.544322|4.049771|32.030441|7.574999|10.922300|3.386817|2.802406|2.396243|2.351802|2.666454|3.272294|2.460334|4.751403|5.492799|5.871050|3.139407|2.899618|2.509220|2.278020|2.321633|2.611564|2.969083|4.671224|0.122115|0.103088|0.137541|0.141444|0.122240|0.301474|0.500000| |6.779859|6.920887|8.815336|0.210965|17.624966|5.484838|0.138192|4.022218|6.512970|4.640709|3.517430|6.598592|0.142585|0.136629|3.060112|2.914079|3.982217|2.716745|3.068866|23.028975|5.475023|7.320045|2.664162|2.271591|2.013538|2.013588|2.271757|2.669644|2.177287|4.270924|4.936513|5.249798|2.732301|2.543895|2.199673|2.026670|2.100216|2.387334|2.677096|4.284052|0.166337|0.139970|0.235009|0.178296|0.140057|0.302575|0.305162|0.500000| |2.902580|3.770990|4.340322|0.105980|3.834277|6.591173|0.216786|6.378589|8.749455|9.650809|8.778874|9.483482|0.143038|0.184761|17.577605|8.773310|7.729081|4.988973|5.471934|30.684773|6.240169|8.383090|3.512965|2.965546|2.563276|2.515047|2.820439|3.390995|2.574593|5.198211|5.203682|6.433730|5.389110|3.872706|3.339142|2.710506|2.510535|2.701335|3.316735|4.824104|0.076249|0.074256|0.075476|0.107480|0.108017|0.111884|0.105240|0.087854|0.500000| |2.431442|2.986934|3.449529|0.090205|3.098761|4.760579|0.135110|5.201727|7.448847|9.595039|9.027952|7.610458|0.127959|0.144118|17.586498|8.799182|8.611183|6.533422|6.906532|30.050238|6.428034|7.250954|3.450202|3.070207|2.625479|2.485092|2.672102|3.147132|2.375042|4.894024|4.783761|5.717116|6.402925|4.550818|4.145960|3.214231|2.829618|2.932408|3.585572|5.356340|0.065883|0.062523|0.063547|0.082204|0.086211|0.086891|0.088488|0.073396|0.306006|0.500000| |2.541120|3.119695|3.684619|0.090407|3.779616|4.766324|0.148523|4.017820|5.827949|5.935923|6.051645|8.097987|0.132082|0.206103|8.764911|17.657507|12.433735|5.696317|4.991998|50.758485|8.461372|13.782264|5.943268|4.426289|3.653467|3.622370|4.312059|5.799855|3.686147|7.072652|7.117070|9.286406|3.528120|2.918020|2.677674|2.289685|2.136036|2.242494|2.600269|4.232234|0.066441|0.064569|0.069421|0.090999|0.083483|0.115532|0.110475|0.087028|0.225500|0.176815|0.500000| |2.158709|2.581648|2.965155|0.076014|2.919811|3.767203|0.111700|3.560846|5.308596|5.641682|5.546523|6.231570|0.107997|0.138671|8.809978|17.599128|12.424794|6.565643|5.114689|39.932456|7.561058|8.869664|5.117763|4.385736|3.673753|3.482221|3.808140|4.621855|3.213838|6.539417|6.144827|7.725100|3.660905|3.029913|2.898646|2.443652|2.207416|2.253781|2.594629|4.361265|0.057582|0.055661|0.058314|0.073569|0.071288|0.085409|0.085260|0.069700|0.196168|0.228597|0.304149|0.500000| |2.105374|2.404434|2.930580|0.081439|2.940060|3.445419|0.089127|3.336354|4.962454|5.584199|5.523911|6.364701|0.132454|0.132647|4.993095|5.650067|12.406053|17.701240|8.803125|48.570801|14.290781|8.645412|4.843579|4.742335|3.579005|3.021139|3.048225|3.673414|2.500692|5.071677|5.174648|5.555470|3.683617|3.558089|3.603153|3.174574|2.851013|2.815851|3.101065|5.645188|0.058604|0.052988|0.057475|0.064684|0.065386|0.079068|0.093099|0.071680|0.108801|0.132995|0.127360|0.140393|0.500000| |2.066472|2.405913|2.852351|0.077750|2.751318|3.524488|0.094153|3.578749|5.314935|6.282211|6.265273|6.232466|0.119324|0.126261|6.663433|7.272824|12.646566|17.588526|8.780140|38.434308|9.053899|7.601684|4.280430|4.116727|3.297892|2.883689|2.937898|3.470909|2.460509|5.075083|4.971434|5.599120|4.343980|3.910751|4.011038|3.323852|2.865974|2.814665|3.196730|5.563489|0.057039|0.052688|0.055546|0.065384|0.066957|0.075521|0.083403|0.066690|0.134839|0.201104|0.144828|0.198218|0.303669|0.500000| |2.418142|2.833047|3.466978|0.099615|3.123477|4.357384|0.106608|4.922142|7.089955|10.057002|8.865091|7.744741|0.159408|0.135102|6.238254|5.050598|7.734574|8.852526|17.638229|30.145023|7.669252|6.830548|3.190536|2.972403|2.472572|2.243486|2.333589|2.739772|2.040430|4.192608|4.261801|4.712950|7.158601|7.026232|6.789967|5.043315|4.262445|4.288556|5.211294|7.649398|0.068594|0.060763|0.063561|0.073654|0.080461|0.081414|0.094454|0.075454|0.133297|0.182108|0.113437|0.123646|0.199065|0.225348|0.500000| |2.701726|3.152173|4.133054|0.120864|3.894555|4.988203|0.116199|4.945355|6.923895|8.789158|8.795043|10.243792|0.251255|0.178910|5.576032|5.024070|8.632254|8.784942|17.558603|38.471861|10.582971|8.806178|3.660250|3.298991|2.666566|2.412322|2.544485|3.077145|2.201642|4.429055|4.668369|5.055213|5.143100|5.101448|4.600018|3.917931|3.685819|3.905879|4.569649|6.937358|0.076831|0.066145|0.072363|0.081117|0.085914|0.098185|0.125893|0.092329|0.124218|0.139579|0.119866|0.115110|0.225023|0.175393|0.306453|0.500000| |1.757908|1.955207|2.273920|0.061177|2.442025|2.516232|0.069157|2.311295|3.592201|3.488937|3.169214|4.212577|0.084986|0.095970|3.287398|4.242768|7.738833|4.931817|3.636304|47.526697|12.426541|8.063990|8.880015|17.745920|8.919635|5.644558|4.943826|5.617333|3.554297|7.160720|7.214611|7.171062|2.322839|2.205556|2.209009|2.035860|1.896908|1.888756|2.024095|3.933420|0.047896|0.044960|0.049357|0.054561|0.052077|0.069069|0.076141|0.061413|0.080001|0.085902|0.112076|0.116290|0.156617|0.125994|0.089013|0.098863|0.500000| |1.497701|1.641326|1.839693|0.049141|1.976070|1.994987|0.056095|1.845869|2.945526|2.707412|2.340905|3.145011|0.062677|0.070770|2.501105|3.105189|4.824926|3.118743|2.524035|27.945782|6.741658|5.710157|5.664317|8.944371|17.746837|8.911859|5.641627|4.938555|4.099909|8.971424|8.202621|7.595454|1.841585|1.744889|1.751043|1.633273|1.532803|1.524603|1.618901|3.224855|0.040519|0.038921|0.042258|0.046462|0.043838|0.056901|0.059656|0.050788|0.063880|0.066614|0.086157|0.089513|0.091940|0.084859|0.064220|0.068207|0.214949|0.500000| |1.501697|1.644607|1.806405|0.047393|1.964865|1.940206|0.055907|1.765707|2.841491|2.520319|2.147706|2.962277|0.058017|0.067471|2.345579|2.895638|4.147109|2.582376|2.193449|24.272131|5.447267|5.483054|4.985249|5.655741|8.920308|17.747887|8.933447|5.648382|7.035222|17.382878|12.979139|11.015185|1.698613|1.582433|1.558916|1.446555|1.371512|1.383855|1.480855|2.881859|0.040053|0.039336|0.042666|0.047469|0.043664|0.058102|0.058084|0.050775|0.062208|0.061570|0.085256|0.083387|0.072454|0.070075|0.055650|0.059076|0.124225|0.215320|0.500000| |2.253754|2.587405|2.965732|0.073903|3.424198|3.261979|0.097437|2.709269|4.180811|3.768534|3.408211|5.154887|0.096163|0.131219|3.783248|5.050473|6.872982|3.662452|3.211764|47.339530|8.313490|13.670051|8.913715|5.617786|4.940909|5.642207|8.895251|17.775371|7.056056|10.963975|13.325066|17.272060|2.353783|2.104332|1.976802|1.780883|1.705723|1.779791|1.973447|3.493648|0.058553|0.057551|0.064587|0.076686|0.066503|0.108327|0.102586|0.083620|0.102493|0.089836|0.179826|0.126846|0.095934|0.092069|0.076207|0.086431|0.123824|0.107360|0.124146|0.500000| |2.466656|2.961548|3.351344|0.093443|2.834579|4.393358|0.113819|5.903099|9.129280|12.431342|7.073779|6.372770|0.118532|0.110182|6.457904|4.417985|5.476743|4.749802|6.184036|22.138866|5.219667|5.431380|2.559984|2.364826|2.064753|1.946760|2.051079|2.345131|1.861685|3.885030|3.865100|4.414312|17.602577|8.890849|7.336922|4.784009|4.006260|4.182177|5.580272|7.079746|0.069212|0.063726|0.062851|0.077611|0.089350|0.075788|0.079957|0.069074|0.158560|0.227681|0.103476|0.115210|0.108829|0.140315|0.210501|0.135993|0.067845|0.053776|0.049220|0.066768|0.500000| |2.856468|3.470405|3.755166|0.106126|2.984052|4.826883|0.122828|7.657944|14.054567|12.655389|5.698656|6.076154|0.114352|0.102592|4.969889|3.553103|4.390468|3.556340|4.593703|19.137626|4.526494|4.931032|2.237844|2.047157|1.813827|1.740384|1.852822|2.104984|1.718221|3.581150|3.615686|4.112830|17.638818|8.882224|5.958104|4.332689|4.012837|4.602166|6.696807|7.090793|0.080975|0.074411|0.070464|0.088463|0.110910|0.078712|0.081148|0.073490|0.139193|0.149675|0.089239|0.091119|0.085333|0.099251|0.141595|0.112767|0.057954|0.047218|0.044351|0.061042|0.304073|0.500000| |2.036747|2.311447|2.598981|0.075292|2.296427|3.081270|0.078769|3.752866|6.185853|6.715395|4.438674|4.599205|0.093088|0.083011|3.940367|3.246818|4.468224|4.150480|5.022286|18.951552|4.773612|4.454956|2.246045|2.167983|1.907813|1.763004|1.804613|2.019808|1.628445|3.439547|3.417396|3.766830|6.999120|8.899200|17.692845|8.963316|5.694809|4.954678|5.647358|9.637805|0.058413|0.052858|0.052768|0.060177|0.068169|0.060569|0.066241|0.057778|0.096286|0.127591|0.077471|0.087497|0.105061|0.125348|0.193000|0.121756|0.064077|0.050870|0.044994|0.056099|0.225671|0.154527|0.500000| |1.810230|1.969976|2.187568|0.065039|1.974851|2.423284|0.061528|2.816808|4.823782|4.549229|3.078093|3.557531|0.075291|0.065568|2.704098|2.388579|3.411723|3.062429|3.538130|15.559223|4.086979|3.665765|1.882351|1.852884|1.653623|1.524353|1.541338|1.698544|1.400390|2.973580|2.987689|3.197828|4.076161|5.608246|8.842482|17.747138|8.966920|5.642358|4.949696|16.719133|0.052905|0.047160|0.047339|0.050870|0.057393|0.051446|0.057269|0.051102|0.068231|0.081467|0.059265|0.064204|0.083950|0.087916|0.121674|0.096035|0.055258|0.044760|0.039307|0.046917|0.113419|0.100163|0.214378|0.500000| |2.525221|2.643022|2.912555|0.093827|2.493311|2.977223|0.071831|3.550335|6.526342|5.069143|3.128383|4.041906|0.089778|0.071770|2.560811|2.210032|3.105856|2.594080|3.226712|15.076442|3.937910|3.801777|1.778520|1.684764|1.502869|1.419374|1.474771|1.646021|1.365750|2.854491|2.971686|3.161978|4.074262|5.612222|4.958930|5.647236|8.955851|17.744686|8.866884|16.743011|0.078484|0.064817|0.064272|0.064561|0.078115|0.062000|0.070681|0.066202|0.067840|0.071523|0.057380|0.056782|0.070081|0.068810|0.098957|0.095512|0.048961|0.039964|0.036536|0.046837|0.095932|0.107847|0.107599|0.124638|0.500000| 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