Version2.0 2020-01-09T02:56:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)NC(=O)c2c3c(sc2NC(=O)[C@H](C)Oc4ccc(cc4)Cl)C[C@H](CC3)C(C)(C)C C33752159 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)NC(=O)c2c3c(sc2NC(=O)[C@H](C)Oc4ccc(cc4)Cl)C[C@H](CC3)C(C)(C)C C01[X(C29H33Cl1N2O3S1)] 201 C1 614 O=C([C@@H](Oc1ccc(cc1)Cl)C)Nc1sc2c(c1C(=O)Nc1cccc(c1)C)CC[C@@H](C2)C(C)(C)C O=C([C@@H](Oc1ccc(cc1)Cl)C)Nc1sc2c(c1C(=O)Nc1cccc(c1)C)CC[C@@H](C2)C(C)(C)C C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc2sc3C[C@H](CCc3c2C(=O)Nc4cccc(C)c4)C(C)(C)C InChIKey=KXEDKNCFDOJNAM-OALUTQOASA-N InChI=1S/C29H33ClN2O3S/c1-17-7-6-8-21(15-17)31-27(34)25-23-14-9-19(29(3,4)5)16-24(23)36-28(25)32-26(33)18(2)35-22-12-10-20(30)11-13-22/h6-8,10-13,15,18-19H,9,14,16H2,1-5H3,(H,31,34)(H,32,33)/t18-,19-/m0/s1 InChI=1/C29H33ClN2O3S/c1-17-7-6-8-21(15-17)31-27(34)25-23-14-9-19(29(3,4)5)16-24(23)36-28(25)32-26(33)18(2)35-22-12-10-20(30)11-13-22/h6-8,10-13,15,18-19H,9,14,16H2,1-5H3,(H,31,34)(H,32,33)/t18-,19-/m0/s1/f/h31-32H Cc1cccc(c1)NC(=O)c2c3c(sc2NC(=O)[C@H](C)Oc4ccc(cc4)Cl)C[C@H](CC3)C(C)(C)C C01[X(C29H33Cl1N2O3S1)] 201 C01 614 O=C([C@@H](Oc1ccc(cc1)Cl)C)Nc1sc2c(c1C(=O)Nc1cccc(c1)C)CC[C@@H](C2)C(C)(C)C O=C([C@@H](Oc1ccc(cc1)Cl)C)N[C@H]1SC2=C([C@@H]1C(=O)Nc1cccc(c1)C)CC[C@@H](C2)C(C)(C)C C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]2SC3=C(CC[C@@H](C3)C(C)(C)C)[C@@H]2C(=O)Nc4cccc(C)c4 InChIKey=QJCQRBCQJQXEGY-WZMNLPKWSA-N InChI=1S/C29H35ClN2O3S/c1-17-7-6-8-21(15-17)31-27(34)25-23-14-9-19(29(3,4)5)16-24(23)36-28(25)32-26(33)18(2)35-22-12-10-20(30)11-13-22/h6-8,10-13,15,18-19,25,28H,9,14,16H2,1-5H3,(H,31,34)(H,32,33)/t18-,19-,25+,28-/m0/s1 InChI=1/C29H35ClN2O3S/c1-17-7-6-8-21(15-17)31-27(34)25-23-14-9-19(29(3,4)5)16-24(23)36-28(25)32-26(33)18(2)35-22-12-10-20(30)11-13-22/h6-8,10-13,15,18-19,25,28H,9,14,16H2,1-5H3,(H,31,34)(H,32,33)/t18-,19-,25+,28-/m0/s1/f/h31-32H 4121.8027610876 -2307.9234471 1-A 27223.5911 139 475 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.82229 -91.97276 -20.60011 -20.54374 -20.53928 -15.60844 -15.60748 -11.37104 -11.36332 -11.32840 -11.31200 -11.30889 -11.29614 -11.28696 -11.25525 -11.25287 -11.24973 -11.24686 -11.24647 -11.24564 -11.24295 -11.24284 -11.24282 -11.23700 -11.23697 -11.23598 -11.23455 -11.23215 -11.22862 -11.22856 -11.22714 -11.22419 -11.22374 -11.21473 -11.21423 -11.21408 -10.55560 -8.98223 -8.02500 -8.02170 -8.02164 -6.66461 -6.66355 -6.66187 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1.69646 1.70000 1.70554 1.71410 1.73151 1.73834 1.75064 1.75673 1.76183 1.76444 1.77064 1.77494 1.77583 1.78314 1.78513 1.79154 1.81812 1.83913 1.84100 1.84400 1.85347 1.87070 1.88444 1.89209 1.91357 1.92358 1.93161 1.94667 1.95302 1.96685 1.99156 2.00025 2.02415 2.04022 2.04088 2.04443 2.06231 2.07247 2.08483 2.08869 2.09186 2.09493 2.09813 2.12004 2.12240 2.12697 2.13479 2.14449 2.15679 2.16020 2.16642 2.17959 2.18499 2.18902 2.19301 2.19812 2.19941 2.20175 2.20732 2.21627 2.22276 2.23392 2.23726 2.24845 2.25489 2.26018 2.26504 2.27239 2.28011 2.29432 2.31299 2.31422 2.32043 2.32298 2.33185 2.35141 2.36333 2.36892 2.37353 2.38440 2.39151 2.39610 2.40562 2.41319 2.42071 2.42356 2.42434 2.43299 2.45202 2.45623 2.45881 2.46141 2.47415 2.48570 2.49286 2.50587 2.51185 2.51568 2.52169 2.52779 2.52940 2.54818 2.56119 2.56363 2.57987 2.59998 2.60738 2.61582 2.62104 2.62445 2.62547 2.62853 2.62895 2.63279 2.63985 2.64700 2.66348 2.66816 2.67416 2.68415 2.68930 2.70193 2.71938 2.73097 2.73922 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|7.550397|13.702992|36.858105| |5.023896|7.931710|13.780627|36.858105| |4.416444|6.797626|7.888205|13.747731|36.858105| |5.002755|7.860894|6.860551|7.979297|13.725181|36.858105| |7.564869|13.749397|7.985432|6.942762|7.927622|13.686409|36.858105| |3.884056|5.175996|4.550698|5.137570|7.727819|13.491277|7.970750|53.358707| |3.090532|3.907968|3.681399|4.307144|6.234579|7.657068|5.209323|19.100455|36.858105| |2.889374|3.666490|3.666232|4.523436|6.578529|6.638107|4.556639|11.528140|15.727780|73.516695| |2.635173|3.136375|2.911949|3.243295|4.224770|5.040627|4.010612|10.737925|12.824424|14.361452|36.858105| |2.542023|2.927312|2.657314|2.854641|3.553292|4.306175|3.707308|8.560390|7.192612|9.150430|13.053388|36.858105| |2.184646|2.446208|2.247473|2.390852|2.870142|3.330913|2.973085|6.013288|5.066965|7.252077|8.183464|14.208472|36.858105| |1.990149|2.232563|2.098472|2.263231|2.701310|3.013911|2.653945|5.242966|4.766242|7.449578|7.389732|7.407632|10.954339|388.023441| |2.275568|2.643807|2.506453|2.783226|3.473515|3.883627|3.221008|7.148276|7.707250|11.898646|13.941993|8.142132|7.690888|78.252422|36.858105| |2.169785|2.527710|2.460540|2.777001|3.424337|3.625131|2.993069|6.166357|6.538039|12.510720|7.809043|5.190101|4.967629|49.539583|13.800049|53.358707| |1.909847|2.174506|2.130128|2.366907|2.801825|2.912544|2.501150|4.691356|4.474755|8.556029|5.153866|3.996510|4.116797|43.200004|7.817682|19.155546|36.858105| |1.767484|1.978143|1.919942|2.096326|2.440743|2.569098|2.262561|4.125167|3.762143|6.822474|4.530926|3.821822|4.217445|48.001758|6.698192|11.485493|15.891867|73.516695| |1.821036|2.069757|2.070995|2.317185|2.681721|2.685249|2.320554|4.106605|3.763994|7.649235|3.910647|3.122024|3.120943|29.071317|5.049828|10.608618|12.470590|14.323070|36.858105| |1.775366|1.992841|1.981557|2.182085|2.484187|2.511780|2.218103|3.791861|3.358365|6.626016|3.484247|2.861606|2.887424|26.524920|4.373155|8.329375|9.097196|12.934533|17.599357|0.500000| |1.618673|1.822981|1.840479|2.055173|2.336826|2.305660|2.013121|3.474136|3.099818|6.209114|3.243827|2.716394|2.764771|25.246395|4.034561|7.411478|7.613397|11.497867|12.503560|0.245683|36.858105| |1.987567|2.302275|2.347283|2.691072|3.143249|3.045990|2.571202|4.548492|4.211687|9.305111|4.007845|3.101205|2.956373|25.711814|4.795582|9.921752|7.896520|9.614531|13.521441|0.257700|7.924910|73.516695| |2.043188|2.355387|2.421459|2.754393|3.127949|2.997206|2.581247|4.291382|3.763584|8.176772|3.445260|2.739972|2.587840|21.594286|3.881679|7.155138|5.469060|7.474398|7.907978|0.212544|5.540507|24.885670|36.858105| |1.831753|2.062924|2.117728|2.352990|2.585309|2.492473|2.217401|3.521400|2.973122|6.133441|2.804047|2.328007|2.245841|18.670553|3.145652|5.467910|4.445865|6.589763|6.420201|0.200901|5.134733|14.058879|13.751391|36.858105| |1.834498|2.043103|2.109266|2.310261|2.468156|2.368179|2.153004|3.255677|2.652576|5.371713|2.465833|2.089372|2.003836|16.171011|2.674928|4.410471|3.441857|5.311219|4.419536|0.136805|3.745216|9.249718|7.941346|13.742862|36.858105| |2.049663|2.296864|2.396023|2.624038|2.760950|2.617295|2.391243|3.499067|2.790078|5.675379|2.510433|2.121476|1.997003|15.709599|2.638890|4.250389|3.148509|4.840330|3.789441|0.112320|3.179133|8.219914|6.900710|7.963508|13.803735|36.858105| |2.358737|2.721904|2.865329|3.220327|3.453386|3.218820|2.865166|4.245653|3.406250|7.165333|2.934914|2.416012|2.223148|17.309299|3.024941|4.902554|3.449305|5.151215|4.028690|0.113965|3.265184|9.364044|7.947137|6.872962|7.933882|13.762589|36.858105| |2.354378|2.770861|2.887547|3.339250|3.798400|3.555470|3.024442|4.894976|4.182546|9.361610|3.563206|2.809646|2.569576|20.493961|3.764811|6.503219|4.461645|6.292045|5.366310|0.143828|4.063548|14.436801|13.731619|7.928012|6.870422|7.961388|13.783124|36.858105| |1.966299|2.146563|2.246675|2.387956|2.417220|2.297168|2.171109|3.006374|2.314647|4.561288|2.097410|1.825692|1.724063|13.263330|2.161561|3.339479|2.460804|3.916709|2.826111|0.083500|2.480122|5.774335|4.227953|4.763694|7.033408|10.915999|7.023865|4.764079|448.794386| |1.988906|2.167858|1.987700|2.074993|2.413829|2.763652|2.567136|4.693376|3.690130|5.524262|5.024739|7.474416|12.644159|48.044762|4.822417|4.914139|3.213289|6.034293|2.560290|0.067077|2.343560|4.293057|2.158354|1.923086|1.741700|1.732805|1.896853|2.139103|12.250599|36.858105| |2.133306|2.294806|2.067979|2.120275|2.440733|2.844048|2.722448|4.749155|3.482577|5.147220|4.382866|6.568071|7.585539|32.675284|3.876595|4.120545|2.672182|4.869394|2.214204|0.058419|2.027751|3.814681|1.960262|1.752581|1.613294|1.627667|1.788103|1.984396|11.671558|12.369415|36.858105| |2.275986|2.421963|2.144097|2.168324|2.486398|2.956134|2.897400|4.926209|3.513728|5.144692|4.338172|6.280551|6.806836|31.096360|3.803243|4.076464|2.643733|4.798545|2.200647|0.058744|1.986326|3.804868|1.981153|1.774503|1.644909|1.669352|1.835840|2.022504|12.018906|8.969311|17.481536|0.500000| |2.357233|2.589504|2.333667|2.414395|2.822299|3.318726|3.119556|5.634974|4.012273|5.791587|4.886322|7.589281|6.867089|30.167338|3.983732|4.232568|2.659571|4.688678|2.230782|0.058011|2.044011|3.940853|2.020634|1.783507|1.642160|1.672076|1.861000|2.075324|11.960468|7.642592|12.390769|0.248382|36.858105| |2.770830|3.160668|2.802555|2.938159|3.589774|4.467165|4.033459|8.423221|5.776287|7.617825|7.149334|12.589372|7.697757|33.708567|5.017637|5.120828|3.056180|5.213008|2.537464|0.065500|2.261393|4.575366|2.343554|2.024447|1.857135|1.910890|2.169916|2.451951|13.503129|6.332432|7.508670|0.199255|12.441772|36.858105| |1.886385|1.987174|1.807608|1.836288|2.061971|2.343257|2.285138|3.732325|2.718892|4.176562|3.237823|4.293692|4.861494|25.014859|2.985201|3.345556|2.240835|4.126191|1.904677|0.050656|1.779461|3.271156|1.696151|1.541148|1.430025|1.438188|1.560291|1.708497|10.443666|7.325898|12.210336|0.247778|7.313961|4.835071|36.858105| |1.735413|1.838968|1.702853|1.746848|1.953292|2.168488|2.086226|3.408314|2.518842|3.948570|2.954845|3.774902|4.214179|22.868656|2.759138|3.148390|2.123718|3.904060|1.823333|0.048078|1.736532|3.135102|1.614790|1.470209|1.360428|1.362551|1.474114|1.617131|9.894867|5.868230|7.394587|0.152438|6.246400|4.193664|12.385969|36.858105| |1.960790|2.024249|1.820851|1.816810|2.008312|2.293033|2.302268|3.554391|2.497939|3.851317|2.841112|3.620739|3.781246|20.385361|2.572431|2.951879|1.976090|3.588046|1.714477|0.045896|1.597586|2.985055|1.571754|1.434321|1.346577|1.366374|1.482352|1.602462|10.036235|4.864459|7.529801|0.202160|6.049195|4.327269|12.371952|7.620543|36.858105| |1.714837|1.790799|1.637038|1.659743|1.848582|2.080645|2.036797|3.277129|2.425335|3.794220|2.887426|3.637852|4.317671|24.236167|2.784588|3.180122|2.189004|4.122022|1.862487|0.050130|1.746387|3.147965|1.637782|1.505703|1.398489|1.395849|1.497714|1.632277|10.166709|6.442685|7.498374|0.189612|4.838890|3.754545|12.376295|7.618401|7.678862|36.858105| |17.534524|8.850940|6.409556|4.506653|3.969870|4.393745|6.145169|4.787631|2.891298|4.879515|2.486860|2.374058|2.070400|13.649929|2.189608|2.879620|1.882417|3.098962|1.811352|0.049521|1.603672|3.515352|2.063396|1.866473|1.893397|2.136779|2.446707|2.391218|16.718924|1.885057|1.997426|0.059430|2.163587|2.523274|1.773546|1.627622|1.834196|1.634963|0.500000| |17.573907|8.826297|5.599574|4.190200|3.953869|4.721213|7.181979|5.302524|3.069446|4.967795|2.686216|2.661148|2.286999|14.543848|2.302809|2.936024|1.898328|3.152350|1.786409|0.048449|1.588801|3.419607|1.957233|1.758457|1.748648|1.929407|2.200299|2.221395|14.781181|2.104563|2.298764|0.068991|2.535360|2.967087|2.033225|1.848295|2.144938|1.839358|0.301975|0.500000| |17.566150|8.841867|6.991981|4.678741|3.951546|4.212179|5.706961|4.552320|2.736526|4.613589|2.360609|2.293476|1.991995|12.936972|2.059044|2.684881|1.751093|2.891481|1.680756|0.045434|1.512183|3.256707|1.879172|1.697694|1.703994|1.895523|2.158240|2.146515|14.735004|1.833841|1.970219|0.057775|2.183364|2.511749|1.767563|1.645140|1.846044|1.606044|0.302211|0.301658|0.500000| |6.990441|8.898176|17.705795|8.924715|5.627781|4.944708|5.661460|4.927639|3.055241|5.467672|2.501819|2.312181|1.995100|13.347945|2.200505|2.963322|1.919665|3.099518|1.886663|0.050450|1.695641|3.779766|2.210388|1.968164|1.984433|2.256901|2.645994|2.608452|17.407310|1.790367|1.862963|0.053545|2.080058|2.434404|1.653579|1.566191|1.674768|1.507676|0.174528|0.141508|0.206219|0.500000| |4.095084|5.645399|8.941740|17.711245|8.964514|5.671739|4.987635|5.657635|3.729207|7.228942|2.895545|2.551678|2.179793|14.911578|2.554536|3.536887|2.252008|3.544596|2.248201|0.058680|2.023512|4.679803|2.711006|2.336716|2.308083|2.625434|3.195781|3.272196|19.331293|1.906630|1.931674|0.054410|2.183494|2.595759|1.692798|1.628014|1.669048|1.539266|0.105357|0.096417|0.110784|0.215766|0.500000| |3.539341|4.920720|5.632151|8.908061|17.821148|8.904405|5.642054|9.530388|6.729302|14.497793|4.463372|3.615289|2.941018|20.157127|3.739033|5.155874|3.058280|4.651495|2.953629|0.074398|2.583910|6.309838|3.451589|2.788990|2.609324|2.882311|3.632352|4.169065|19.759259|2.442418|2.417177|0.067347|2.793165|3.522149|2.041035|1.957377|1.956878|1.834622|0.090510|0.090166|0.090143|0.124081|0.215988|0.500000| |7.033985|8.939345|5.664968|4.985166|5.644654|8.919198|17.679804|10.059822|4.917318|7.315231|4.068181|3.942242|3.161984|19.562288|3.250505|4.003311|2.472951|4.039855|2.256234|0.060399|1.955210|4.344676|2.437888|2.116418|2.050653|2.250049|2.645926|2.794104|16.469809|2.759760|2.990717|0.090782|3.389543|4.410967|2.488223|2.221777|2.539016|2.212013|0.163242|0.219078|0.145785|0.124299|0.108061|0.124137|0.500000| |3.914424|4.920922|4.096964|4.315125|5.774967|9.349104|7.639950|26.138467|9.496027|10.931169|7.617785|7.186038|4.862887|28.136998|5.037965|5.633233|3.234551|5.212717|2.786116|0.072488|2.376939|5.309131|2.822941|2.371511|2.205504|2.350246|2.783614|3.144101|16.464557|3.836134|4.032420|0.119698|4.829662|7.794429|3.081724|2.737265|2.961959|2.668034|0.097865|0.114200|0.092863|0.092737|0.098613|0.144019|0.234364|0.500000| |2.304188|2.739516|2.714239|3.145588|3.966241|4.063231|3.239980|6.767115|7.510422|17.274710|7.303055|4.744735|4.271298|37.507351|9.432335|25.934545|9.370442|10.828839|7.465855|0.160589|5.241045|15.700840|6.198520|4.384551|3.518468|3.463833|4.166982|5.886820|21.362251|3.201923|2.794757|0.077073|2.952714|3.629948|2.290717|2.169625|2.058057|2.152757|0.062349|0.062785|0.058139|0.066190|0.082023|0.126090|0.086109|0.119695|0.500000| |1.632862|1.851605|1.880766|2.122305|2.430261|2.372898|2.047718|3.587281|3.235858|6.560595|3.376037|2.819290|2.845561|25.585806|4.148539|7.476618|6.850191|10.218362|8.853928|0.173580|17.572583|12.826592|4.950241|4.369939|3.325319|2.929843|3.084546|3.857248|18.612190|2.402555|2.079861|0.055960|2.127351|2.351816|1.822732|1.799313|1.631018|1.769168|0.044592|0.044480|0.042533|0.048030|0.058312|0.075827|0.054912|0.067666|0.150718|0.500000| |1.527705|1.702710|1.703554|1.878309|2.123189|2.125117|1.880517|3.220649|2.832842|5.480207|3.057515|2.638088|2.762634|25.773046|3.837903|6.645780|7.047313|12.661137|8.850661|0.212042|17.613301|10.149475|4.394268|4.245227|3.266239|2.795966|2.834167|3.402857|18.054173|2.380358|2.033795|0.055197|2.016277|2.193709|1.798792|1.757497|1.603540|1.787792|0.042049|0.041938|0.039690|0.043735|0.051135|0.064321|0.051283|0.062232|0.123728|0.300030|0.500000| |1.553840|1.741899|1.774091|1.977572|2.211306|2.153602|1.897175|3.172276|2.764195|5.568255|2.811719|2.386124|2.403357|21.106517|3.351581|5.904685|5.529721|8.619623|8.857164|0.212833|17.580115|12.633122|5.632801|5.753727|4.129122|3.370400|3.342826|4.042263|21.049102|2.072694|1.825606|0.049911|1.845188|2.033153|1.619023|1.582205|1.469475|1.590818|0.042980|0.042141|0.040493|0.045770|0.054642|0.067699|0.050936|0.060215|0.121032|0.301435|0.299763|0.500000| |1.676469|1.871355|1.911079|2.109278|2.314233|2.248709|2.012509|3.213581|2.717266|5.501579|2.639842|2.225940|2.187457|18.480148|3.016905|5.221604|4.496723|6.879473|6.831895|0.225450|5.995320|12.654578|8.890446|17.738878|8.943874|5.666783|4.953948|5.636014|31.607752|1.889922|1.707200|0.047759|1.723302|1.929829|1.511397|1.448966|1.398982|1.487152|0.047260|0.045017|0.043377|0.049541|0.058233|0.069325|0.053810|0.060795|0.111933|0.133289|0.138225|0.203416|0.500000| |1.681445|1.846670|1.901174|2.056372|2.170749|2.093800|1.930521|2.876203|2.315880|4.599734|2.186715|1.889044|1.830673|14.725975|2.369872|3.824932|3.026922|4.819880|3.805907|0.119286|3.392140|7.460128|5.648675|8.914472|17.747349|8.934929|5.647616|4.953016|53.746320|1.613181|1.496971|0.042379|1.514373|1.691977|1.339507|1.277140|1.264031|1.318030|0.048312|0.044676|0.043646|0.050164|0.057240|0.063262|0.051431|0.054744|0.082882|0.083425|0.084492|0.105670|0.215804|0.500000| |2.622400|3.046692|3.260091|3.644389|3.783277|3.469892|3.135345|4.387626|3.385249|7.008316|2.847576|2.371805|2.154286|16.335514|2.839975|4.429609|3.036199|4.612874|3.380288|0.094483|2.807474|7.564062|5.650659|4.954333|5.649337|8.921926|17.747441|8.929222|53.681451|1.849183|1.769376|0.050696|1.855595|2.173327|1.545919|1.457231|1.482905|1.475576|0.076445|0.066821|0.066411|0.083894|0.100519|0.107445|0.079137|0.079624|0.104084|0.075052|0.068873|0.078926|0.107581|0.124296|0.500000| |2.609135|3.169592|3.315081|3.970115|4.763629|4.379366|3.543591|6.031657|5.304623|12.929669|4.197884|3.191913|2.831885|22.142814|4.269382|7.273717|4.560953|6.351081|5.034237|0.128263|3.850859|13.274783|8.941575|5.651225|4.952415|5.649832|8.900345|17.738776|31.515974|2.315700|2.159050|0.061040|2.296713|2.777416|1.835436|1.735216|1.720855|1.731477|0.072615|0.068149|0.065570|0.081110|0.106145|0.149830|0.089145|0.103484|0.196717|0.105566|0.090379|0.102640|0.124160|0.107554|0.214250|0.500000| |1.886528|2.031079|1.861073|1.928040|2.215806|2.524086|2.379378|4.197039|3.289608|5.029149|4.346239|5.788970|8.969979|45.879185|4.404237|4.656851|3.156783|6.104449|2.519914|0.067177|2.303068|4.156469|2.107150|1.901120|1.726680|1.708413|1.851049|2.071924|12.125061|17.571907|8.782190|0.221560|5.552318|4.913430|6.561008|5.077350|4.545561|7.102417|0.050202|0.055481|0.048272|0.046863|0.049375|0.062013|0.071367|0.094720|0.083449|0.064544|0.065825|0.056725|0.052180|0.044669|0.049945|0.061471|0.500000| |1.831428|1.996743|1.858488|1.953492|2.257375|2.522707|2.327336|4.194566|3.339832|5.153047|4.406527|5.996747|8.947817|43.398085|4.370728|4.620236|3.083088|5.839745|2.482273|0.064495|2.331339|4.139909|2.063894|1.848686|1.668587|1.649171|1.794746|2.025280|11.669423|17.524778|8.757493|0.174631|6.607473|5.264565|6.832727|6.575846|4.467945|6.077719|0.048203|0.053409|0.047380|0.046800|0.050410|0.064212|0.068305|0.092517|0.083982|0.067183|0.066252|0.057208|0.050872|0.043096|0.048430|0.060614|0.304189|0.500000| |2.421763|2.615795|2.338822|2.378354|2.723785|3.195592|3.103863|5.181722|3.531121|5.199239|4.008686|5.550130|4.977902|24.394633|3.311036|3.664075|2.333141|4.095415|2.003163|0.052453|1.845184|3.571781|1.857618|1.651885|1.537152|1.574904|1.748682|1.923987|11.394255|5.518792|8.740031|0.207238|17.583184|8.910563|6.876984|5.991526|6.875319|4.492231|0.061134|0.073275|0.062837|0.058266|0.059683|0.073695|0.094454|0.123552|0.072228|0.053222|0.050443|0.046784|0.044241|0.039521|0.048848|0.058957|0.123153|0.138506|0.500000| |2.170803|2.401049|2.214984|2.327473|2.718104|3.090458|2.841344|5.168121|3.830807|5.692762|4.655379|6.742854|6.434323|29.946872|3.919922|4.214327|2.663871|4.702994|2.239086|0.057618|2.086874|3.945517|1.999323|1.764994|1.615339|1.634332|1.813586|2.033828|11.654346|7.107785|8.816595|0.174677|17.538253|8.891538|6.460957|6.706359|5.118985|4.455251|0.055477|0.063857|0.056474|0.055148|0.059273|0.076329|0.083261|0.116754|0.081703|0.061109|0.057260|0.052177|0.047643|0.041429|0.049964|0.062426|0.141907|0.199386|0.303564|0.500000| |2.914702|3.416376|3.073485|3.282300|4.086186|5.034586|4.369763|9.360737|6.147614|8.183599|6.638184|8.874230|5.823965|29.179376|4.623367|4.943588|2.929542|4.895919|2.489108|0.063628|2.236924|4.589058|2.352547|2.019236|1.855827|1.922003|2.200646|2.489564|13.585131|4.862772|5.493067|0.143468|8.854415|17.560538|4.016587|3.729041|3.724868|3.177097|0.072488|0.085526|0.074066|0.073444|0.080212|0.111915|0.127061|0.223325|0.100832|0.065407|0.059578|0.056205|0.053220|0.046835|0.061644|0.079335|0.108875|0.121625|0.212333|0.219649|0.500000| |3.111186|3.497959|2.981846|3.032025|3.651054|4.765078|4.585711|8.758828|5.405800|7.163090|6.114957|8.839576|6.153666|29.556181|4.441689|4.712155|2.853248|4.863873|2.407635|0.063159|2.124280|4.367178|2.287443|1.988063|1.847078|1.919827|2.182739|2.427991|13.696036|5.355146|6.671216|0.207460|8.888927|17.467067|4.540512|3.761593|4.372973|3.626954|0.078285|0.095015|0.076958|0.071591|0.073188|0.095814|0.148881|0.254883|0.093729|0.060552|0.057198|0.053568|0.052305|0.046791|0.061386|0.076155|0.125051|0.121538|0.221173|0.174896|0.303275|0.500000| |1.807913|1.923953|1.784954|1.833721|2.050603|2.271218|2.180799|3.551381|2.593122|4.057820|2.984439|3.800322|4.010782|21.668154|2.721556|3.116076|2.077074|3.759961|1.796991|0.047121|1.712397|3.128140|1.612747|1.461670|1.354755|1.363622|1.482781|1.626605|9.909778|5.123058|6.627335|0.139830|6.878143|4.454034|8.705685|17.563338|6.959801|5.500853|0.046690|0.053478|0.047835|0.045548|0.047449|0.057039|0.064171|0.079068|0.060423|0.049620|0.047726|0.043462|0.039853|0.035248|0.040895|0.048782|0.119363|0.155849|0.197438|0.220105|0.114089|0.109169|0.500000| |1.607951|1.685746|1.566468|1.597752|1.764672|1.941721|1.886513|2.995509|2.204451|3.505186|2.533503|3.116729|3.440680|19.692721|2.398131|2.797185|1.913619|3.529508|1.664688|0.044168|1.596426|2.859519|1.482953|1.361941|1.266759|1.267330|1.362114|1.482857|9.268117|4.554451|5.422686|0.123596|4.677954|3.413389|8.797713|17.541859|6.942899|7.086523|0.042064|0.047546|0.042589|0.040334|0.041579|0.049017|0.055690|0.066322|0.053775|0.045785|0.045030|0.040678|0.037387|0.033200|0.037434|0.043899|0.117098|0.139153|0.130516|0.135953|0.086173|0.087747|0.302651|0.500000| |1.669357|1.784536|1.667580|1.728679|1.944122|2.138578|2.026001|3.386261|2.567292|4.057894|3.068278|3.884423|4.536701|25.153007|2.937035|3.342213|2.270422|4.217324|1.932281|0.050671|1.855873|3.289344|1.676253|1.525215|1.400716|1.393164|1.504282|1.661986|10.054556|6.449405|6.729623|0.137867|5.711912|4.058281|8.693106|17.555334|5.494538|6.806328|0.043676|0.048944|0.043917|0.042572|0.044972|0.054746|0.059341|0.074472|0.063329|0.053663|0.052507|0.046664|0.041979|0.036522|0.041034|0.049439|0.152792|0.232490|0.141021|0.183131|0.100858|0.098448|0.301637|0.302676|0.500000| |2.058666|2.102348|1.867691|1.845175|2.034039|2.349799|2.398346|3.632494|2.521755|3.870484|2.851030|3.596761|3.718060|20.257822|2.577329|2.964161|1.985103|3.601175|1.723924|0.046487|1.591200|3.003968|1.593923|1.456773|1.373740|1.398774|1.517458|1.632380|10.305335|4.619963|6.899996|0.220991|5.421228|4.250503|8.732881|5.505056|17.533838|6.969254|0.053739|0.063213|0.053426|0.047683|0.046824|0.054548|0.074744|0.085195|0.057414|0.044793|0.044320|0.040734|0.039346|0.035819|0.042281|0.048615|0.125039|0.112590|0.166801|0.122911|0.100094|0.126265|0.140996|0.141567|0.122265|0.500000| |1.786205|1.828536|1.659612|1.652982|1.807005|2.032334|2.045474|3.096253|2.190769|3.436598|2.459417|3.026841|3.186440|17.996136|2.269465|2.653310|1.800581|3.284015|1.578457|0.042397|1.484296|2.741672|1.448298|1.332106|1.254675|1.269835|1.368209|1.470889|9.381142|4.021391|5.470564|0.146016|4.603631|3.489421|8.775963|6.979434|17.544934|7.071970|0.046654|0.054004|0.047108|0.042775|0.042511|0.049048|0.062036|0.070433|0.051494|0.042053|0.041536|0.038106|0.036228|0.032876|0.037994|0.043585|0.107742|0.107060|0.142239|0.115810|0.086275|0.097320|0.173397|0.209612|0.141416|0.301914|0.500000| |2.080188|2.151564|1.931024|1.922418|2.122652|2.427945|2.446781|3.737122|2.579882|3.963612|2.876879|3.657708|3.640497|19.545617|2.547422|2.930543|1.940944|3.478704|1.694662|0.045130|1.579558|2.983690|1.572978|1.428992|1.343847|1.370791|1.495183|1.615700|10.077363|4.417558|6.759608|0.177448|6.649027|4.646107|8.673948|6.883644|17.572802|5.515760|0.053415|0.063456|0.054666|0.049253|0.048923|0.057194|0.074842|0.086751|0.057415|0.045045|0.043720|0.040450|0.038561|0.034958|0.041755|0.048499|0.110163|0.114288|0.245403|0.155240|0.114483|0.130428|0.206687|0.169772|0.140281|0.301527|0.303073|0.500000| |1.633988|1.720093|1.587317|1.624206|1.815931|2.024553|1.954539|3.203728|2.426122|3.830478|2.934132|3.647827|4.545965|26.499067|2.914154|3.329193|2.320758|4.443998|1.957133|0.052562|1.849187|3.265732|1.683698|1.550261|1.429760|1.415828|1.513857|1.659672|10.255784|7.013164|6.626795|0.160251|4.467325|3.574038|8.686880|6.992907|5.523485|17.569545|0.043435|0.048230|0.042531|0.040614|0.042054|0.050563|0.058319|0.071416|0.061862|0.052066|0.053070|0.046518|0.042806|0.037465|0.041143|0.048724|0.229622|0.200172|0.110799|0.119930|0.084791|0.093409|0.140688|0.178553|0.204797|0.140440|0.144170|0.122248|0.500000| 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