Version2.1 2020-12-30T13:48:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)OCc2nnc(n2N)S[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)C(C)C C57783341 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)OCc2nnc(n2N)S[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)C(C)C C01[X(C25H31N5O2S1)] 186 C1 561 Cc1ccc(c(c1)OCc1nnc(n1N)S[C@H](C(=O)N1[C@@H](C)Cc2c1cccc2)C)C(C)C Cc1ccc(c(c1)OCc1nnc(n1N)S[C@H](C(=O)N1[C@@H](C)Cc2c1cccc2)C)C(C)C CC(C)c1ccc(C)cc1OCc2nnc(S[C@@H](C)C(=O)N3[C@@H](C)Cc4ccccc34)n2N InChIKey=SYHSPMSMOIMOJG-ROUUACIJSA-N InChI=1S/C25H31N5O2S/c1-15(2)20-11-10-16(3)12-22(20)32-14-23-27-28-25(30(23)26)33-18(5)24(31)29-17(4)13-19-8-6-7-9-21(19)29/h6-12,15,17-18H,13-14,26H2,1-5H3/t17-,18-/m0/s1 InChI=1/C25H31N5O2S/c1-15(2)20-11-10-16(3)12-22(20)32-14-23-27-28-25(30(23)26)33-18(5)24(31)29-17(4)13-19-8-6-7-9-21(19)29/h6-12,15,17-18H,13-14,26H2,1-5H3/t17-,18-/m0/s1 Cc1ccc(c(c1)OCc2nnc(n2N)S[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)C(C)C C01[X(C25H31N5O2S1)] 186 C01 561 Cc1ccc(c(c1)OCc1nnc(n1N)S[C@H](C(=O)N1[C@@H](C)Cc2c1cccc2)C)C(C)C C[C]1[CH][CH][C]([C]([CH]1)OCC1=[N][N][C](N1N)S[C@H](C(=O)N1[C@@H](C)C[C]2[C]1[CH][CH][CH][CH]2)C)C(C)C C[C]1[CH][CH][C]([C]([CH]1)OCC2=N[N][C](S[C@@H](C)C(=O)N3[C]4[CH][CH][CH][CH][C]4C[C@@H]3C)N2N)C(C)C InChIKey=SYHSPMSMOIMOJG-ROUUACIJSA-N InChI=1S/C25H31N5O2S/c1-15(2)20-11-10-16(3)12-22(20)32-14-23-27-28-25(30(23)26)33-18(5)24(31)29-17(4)13-19-8-6-7-9-21(19)29/h6-12,15,17-18H,13-14,26H2,1-5H3/t17-,18-/m0/s1 InChI=1/C25H31N5O2S/c1-15(2)20-11-10-16(3)12-22(20)32-14-23-27-28-25(30(23)26)33-18(5)24(31)29-17(4)13-19-8-6-7-9-21(19)29/h6-12,15,17-18H,13-14,26H2,1-5H3/t17-,18-/m0/s1 3409.0789018543 -1784.1959506 1-A 26856.6144 124 437 561 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.95581 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3290.4155 3301.8003 3302.1688 3321.3240 3329.7740 3357.4321 3361.6206 3370.1772 3385.8840 3387.7109 3388.0744 3404.4350 3452.3145 3750.1559 3855.2522 5.4566 4.2450 4.5109 4.8763 5.0630 2.6659 5.9105 1.0699 5.4025 4.3060 4.5852 3.8213 3.2406 4.3706 5.1299 5.0103 4.6412 3.3160 3.1599 4.5734 3.1609 3.2436 4.2785 2.3776 1.5213 1.4523 1.9729 1.0431 1.6470 1.7936 1.7338 2.0995 2.5012 3.2791 3.8126 3.1968 4.1439 4.4797 3.4521 4.0170 2.9575 2.9820 4.0551 4.4468 7.3576 4.3602 3.4623 4.3685 4.3460 3.5920 4.1126 8.6275 3.4776 5.5678 4.4066 4.1673 5.4822 4.1034 11.4956 6.9598 2.7375 4.8444 5.9193 3.6181 3.2271 1.4509 3.9179 4.8414 1.2897 2.5726 2.5267 1.4801 1.3659 1.1699 1.5901 1.8141 2.9654 2.6842 1.5922 2.1394 1.4385 1.3535 2.3039 1.7917 1.3531 4.8282 2.4597 1.8002 2.2197 3.2214 1.7204 1.6631 2.0255 1.8866 3.1306 1.8823 2.2220 2.4455 2.8132 1.9998 2.0998 2.4054 2.1194 1.8668 2.1659 1.5692 1.4176 1.7084 1.8184 1.9079 1.6822 2.0024 3.7032 1.4096 1.5337 1.7351 1.1947 1.4825 1.3176 1.8033 1.9005 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MUNgauss RevisionA2.0 retrievium 30-Dec-2020 DUDE Cc1ccc(c(c1)OCc2nnc(n2N)S[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)C(C)C C57783341 RHF 6-31G(d) (6D,10F) C1 465.219847 |X|Y|Z| 151.195487 40.144293 48.836496
66.675924 25 6 7 8 16 19 4 1 1
|36.858105| |12.611024|36.858105| |7.542479|13.811301|36.858105| |5.012231|7.930820|13.701420|36.858105| |4.392206|6.739022|7.840662|13.783942|36.858105| |5.021890|7.885960|6.902295|8.033294|13.579750|36.858105| |7.573991|13.656477|7.996074|6.944798|7.849057|13.786133|36.858105| |3.870187|5.180796|4.621651|5.297679|8.116206|13.979016|7.913798|73.516695| |3.704747|4.526720|3.809608|4.000832|5.229644|7.955834|6.766391|24.140906|36.858105| |2.872719|3.361505|2.997007|3.214916|4.088375|5.241678|4.451044|14.443181|12.775149|36.858105| |2.572783|2.916854|2.624202|2.777538|3.391779|4.128514|3.684062|9.954666|7.735777|14.918115|53.358707| |2.195152|2.460378|2.270214|2.423954|2.911908|3.359834|2.991493|7.773211|5.302134|8.899127|18.941844|53.358707| |2.183127|2.474895|2.307392|2.498137|3.038475|3.465715|3.012445|8.191228|5.289813|8.849828|12.095102|20.159106|36.858105| |2.528310|2.939819|2.707924|2.956816|3.726855|4.437405|3.720649|11.481645|7.528905|13.953895|11.986396|11.986903|14.055384|53.358707| |2.519703|2.957513|2.776632|3.076526|3.882716|4.453641|3.676455|10.938376|6.119881|7.641074|7.382335|7.432847|7.845426|18.763707|53.358707| |1.857316|2.077359|1.979905|2.147960|2.540248|2.760958|2.433920|6.092809|3.649473|4.951632|6.698398|9.437782|10.845435|9.518465|8.387337|388.023441| |1.672167|1.835823|1.747158|1.868723|2.160223|2.337511|2.115763|4.988233|3.047453|3.996979|6.060093|8.900318|7.056226|6.452317|5.451169|73.924940|36.858105| |1.724918|1.900861|1.808285|1.938669|2.251320|2.440424|2.198957|5.235793|3.212037|4.281803|6.889681|10.670116|7.290255|6.561985|5.290620|57.350303|17.785863|0.500000| |1.627300|1.756288|1.651721|1.735605|1.978433|2.169203|2.015354|4.556297|2.866553|3.656598|5.601499|7.695780|5.655585|5.629986|4.800873|48.327615|12.417489|0.246273|36.858105| |1.497640|1.637855|1.580505|1.695547|1.933338|2.042300|1.852856|4.243410|2.507722|3.108873|4.543861|5.960760|4.747867|4.934183|4.493950|50.236749|12.525147|0.244576|7.615963|36.858105| |1.462098|1.600981|1.554092|1.672574|1.901637|1.990410|1.801690|4.106987|2.387221|2.900263|4.076429|5.134526|4.302862|4.708360|4.520456|48.438542|8.071582|0.167252|5.872002|15.836871|73.516695| |1.391219|1.510670|1.462596|1.562075|1.760788|1.847044|1.690980|3.772047|2.222864|2.687495|3.996505|5.040192|3.758609|4.072379|3.702372|34.108103|7.636891|0.194028|5.965985|13.987182|15.198763|53.358707| |1.375394|1.485143|1.433171|1.521383|1.706138|1.796297|1.658269|3.644544|2.168539|2.603154|3.988330|4.950083|3.461756|3.790273|3.371135|28.218684|6.156936|0.182305|5.387797|7.473021|9.412614|18.262688|36.858105| |1.463155|1.581515|1.518259|1.608809|1.811107|1.922073|1.775789|3.918959|2.359815|2.859697|4.553894|5.672670|3.713986|4.032828|3.474999|27.738351|5.915624|0.203451|5.232803|5.799423|7.597997|10.159762|13.756283|36.858105| |1.390854|1.489312|1.429668|1.502925|1.671607|1.769663|1.655756|3.546201|2.135527|2.512402|3.993508|4.688173|3.035296|3.442103|2.996055|21.803866|4.190566|0.136480|4.018260|4.107544|5.839872|6.893298|7.981589|13.694125|36.858105| |1.263894|1.344398|1.296066|1.357762|1.494774|1.570537|1.479100|3.106189|1.854268|2.137121|3.307430|3.796310|2.539527|2.948280|2.628384|18.699935|3.466848|0.105976|3.417870|3.597774|5.315876|6.209653|6.863283|7.875228|13.788316|36.858105| |1.206087|1.283947|1.242394|1.304693|1.434955|1.500195|1.409329|2.965127|1.757055|2.023374|3.069752|3.553892|2.454312|2.849724|2.583302|18.848860|3.511840|0.102590|3.452643|3.910611|5.840758|7.212266|7.906550|6.820972|7.957110|13.709108|36.858105| |1.251404|1.340506|1.298066|1.370833|1.518734|1.588142|1.479863|3.169587|1.874051|2.189971|3.300829|3.926802|2.771084|3.155394|2.868532|22.276943|4.354844|0.123546|4.138922|5.283407|7.597688|11.329647|13.672852|7.917202|6.932381|7.972466|13.836937|36.858105| |1.190842|1.275234|1.240197|1.311604|1.448360|1.505130|1.401582|2.990413|1.751484|2.028694|2.982138|3.518620|2.574968|2.975574|2.774085|21.566894|4.007261|0.106729|3.806373|5.296309|8.313635|10.947148|8.017966|5.165652|4.492409|4.963989|7.313046|12.643331|36.858105| |1.265632|1.367530|1.333504|1.422188|1.584715|1.642809|1.512120|3.297720|1.916882|2.250203|3.268876|3.937343|2.977408|3.389645|3.186130|26.555708|4.960323|0.126388|4.305717|7.818114|12.625719|17.493685|8.060889|5.139236|4.074254|4.055690|5.115707|7.998844|12.380542|36.858105| |1.251306|1.349597|1.314826|1.399685|1.557184|1.616130|1.491116|3.240207|1.883816|2.202185|3.152406|3.778629|2.922380|3.359151|3.211863|26.849598|4.785239|0.115788|4.315710|7.522762|14.297571|12.439594|5.959418|4.209839|3.428589|3.405651|4.156272|5.866769|8.730066|17.681737|0.500000| |1.242827|1.350050|1.330053|1.429927|1.590710|1.624818|1.484350|3.239854|1.846702|2.141385|3.070395|3.621302|2.761389|3.219436|3.071894|24.169362|4.099247|0.109208|3.420297|5.892685|10.412288|10.466956|5.866015|4.333904|3.579514|3.554898|4.280990|5.807456|7.448393|12.490997|0.247292|36.858105| |3.250185|4.378443|4.964726|7.476572|12.498452|7.482920|4.982953|12.160443|4.564749|4.005365|4.576761|4.096717|3.218986|5.287668|5.642564|19.628315|2.309025|0.066916|2.058390|2.092176|3.684378|2.581853|1.819161|1.918521|1.751784|1.564325|1.510335|1.611450|1.543299|1.709356|0.046540|1.740175|36.858105| |2.906184|3.741460|4.175242|5.710570|7.560892|5.642053|4.157284|9.781915|3.969721|3.624770|4.105575|3.820002|3.123181|5.147990|6.007449|19.970278|2.283212|0.064622|2.035701|2.098544|3.777783|2.560066|1.771863|1.833178|1.661426|1.497134|1.464435|1.576145|1.532422|1.713044|0.047184|1.748077|12.397533|36.858105| |2.869585|3.686640|4.372302|6.341367|7.455700|5.041966|3.876946|8.163837|3.473651|3.172619|3.843582|3.516298|2.697956|4.184496|4.337946|16.990246|2.071456|0.060405|1.846658|1.917508|3.371969|2.411700|1.713743|1.807060|1.669907|1.502317|1.448904|1.534027|1.468988|1.615795|0.043724|1.667360|12.423361|7.548836|36.858105| |17.543826|8.837172|5.852445|4.288765|3.940237|4.613544|6.769319|6.622308|3.677056|2.863639|3.465966|2.975480|2.190655|3.466715|3.489147|13.307675|1.677395|0.047692|1.647065|1.499482|2.610890|1.888222|1.366381|1.446936|1.371980|1.249280|1.196270|1.244103|1.187901|1.262943|0.034842|1.233965|3.010237|2.788036|2.618489|0.500000| |17.541867|8.841752|5.903904|4.312635|3.946585|4.593984|6.699540|6.575727|3.684908|2.877608|3.587638|3.030294|2.173793|3.381638|3.289107|13.048223|1.675720|0.048327|1.639013|1.495086|2.576087|1.900456|1.391356|1.490650|1.425908|1.293243|1.226762|1.266394|1.197991|1.266449|0.034660|1.240008|3.011463|2.649923|2.701179|0.302177|0.500000| |17.584392|8.845447|7.232508|4.737942|3.931180|4.170473|5.576870|5.842151|3.098677|2.494934|3.078134|2.675372|1.961061|3.049288|3.065566|12.077260|1.537492|0.043970|1.494374|1.391432|2.423436|1.767985|1.284169|1.360577|1.298279|1.186745|1.135131|1.175214|1.121977|1.189890|0.032691|1.173487|3.000914|2.718535|2.738918|0.301775|0.301802|0.500000| |6.955428|8.929512|17.712981|8.917616|5.616951|4.967084|5.661112|6.516762|3.145008|2.565054|3.119076|2.741248|2.041586|3.198572|3.282997|12.677933|1.590699|0.045615|1.510966|1.452446|2.544668|1.841177|1.328051|1.402150|1.328297|1.212150|1.163758|1.211438|1.160478|1.242173|0.034046|1.241544|4.067158|3.570475|3.827613|0.150564|0.152510|0.220722|0.500000| |4.099412|5.665956|8.974743|17.730342|8.964711|5.681982|4.990488|7.582143|3.332637|2.809051|3.366723|3.004747|2.282189|3.600745|3.774097|14.281998|1.758077|0.050570|1.626374|1.616441|2.848177|2.037634|1.456128|1.531912|1.434588|1.303339|1.256544|1.319098|1.267218|1.373851|0.037548|1.392154|6.935623|5.611091|7.035249|0.099426|0.100097|0.113197|0.217739|0.500000| |7.091944|8.948561|5.686289|4.991290|5.602738|8.913251|17.744028|12.684534|7.599932|4.778966|5.413138|4.296658|3.129562|5.250682|5.036274|17.690227|2.180491|0.062875|2.111887|1.887211|3.243777|2.341676|1.693829|1.820790|1.700356|1.515573|1.439928|1.509685|1.424927|1.530832|0.041986|1.487729|4.068553|3.537883|3.257951|0.195011|0.190956|0.141606|0.124584|0.108196|0.500000| |3.917348|4.662447|3.822295|3.878686|4.832361|7.125650|6.853620|16.424893|17.620727|9.114190|10.125678|6.671302|4.513699|7.690741|6.259351|22.823476|2.829719|0.084277|2.699262|2.344886|3.923237|2.886279|2.108726|2.328816|2.144899|1.858443|1.740540|1.833083|1.696402|1.831797|0.049660|1.763982|4.108354|3.457649|3.298083|0.105548|0.113210|0.089938|0.088276|0.089778|0.227075|0.500000| |3.883111|4.578248|3.732132|3.769426|4.677980|6.934453|6.763564|16.528339|17.534876|8.944218|8.275888|6.240385|4.728076|8.994445|8.100032|24.464234|2.861388|0.081669|2.769883|2.373966|4.064764|2.857022|2.035333|2.184867|1.985062|1.743871|1.664689|1.775841|1.674994|1.827441|0.050383|1.749064|3.999478|3.693499|3.086620|0.112085|0.105513|0.089111|0.086444|0.087414|0.232871|0.300208|0.500000| |2.619232|3.032098|2.794668|3.019453|3.716822|4.367053|3.770389|10.196901|6.003854|6.731384|6.621092|6.447764|6.256516|13.208955|25.917892|36.555810|3.571778|0.095122|3.317020|2.977589|5.351361|3.382483|2.278733|2.340232|2.045402|1.811658|1.782792|1.966010|1.909940|2.165886|0.061154|2.070617|3.768671|4.062274|2.920455|0.075510|0.069276|0.064684|0.067595|0.075040|0.107816|0.125239|0.181591|0.500000| |2.679024|3.242141|3.105201|3.559925|4.688625|5.236178|4.054212|13.154928|6.273019|6.941641|6.720693|6.447034|6.185689|13.268421|25.940306|35.681609|3.496998|0.096604|3.054197|2.982209|5.341559|3.423048|2.311111|2.392410|2.086098|1.836944|1.800264|1.983872|1.917930|2.193030|0.060980|2.155303|5.230759|5.735259|3.788759|0.074774|0.070548|0.066626|0.073944|0.088762|0.108781|0.130172|0.162247|0.323300|0.500000| |1.526827|1.635633|1.542407|1.613809|1.821116|1.982707|1.857633|4.096345|2.560553|3.173270|4.935954|6.453014|4.477250|4.684691|4.040253|35.991134|8.795270|0.211772|17.564439|6.890588|9.201213|8.726518|6.431948|6.192609|4.760330|4.057016|4.107174|4.937685|4.326059|4.592551|0.124114|3.512693|1.889209|1.854339|1.720118|0.042788|0.042942|0.039124|0.039422|0.042193|0.054009|0.068356|0.068515|0.077988|0.073277|0.500000| |1.753153|1.887905|1.753463|1.829798|2.093849|2.339560|2.190328|4.962846|3.230214|4.209132|6.640656|9.232460|6.360934|6.307331|5.149632|45.335710|8.834725|0.214376|17.620812|5.536298|8.134315|6.232836|4.396882|4.609816|3.730488|3.138579|3.062494|3.497327|3.175592|3.487412|0.096391|2.906956|2.144633|2.101178|1.903010|0.049459|0.049261|0.044382|0.044347|0.047199|0.064641|0.084716|0.087173|0.100297|0.089765|0.301816|0.500000| |1.566802|1.684173|1.587521|1.664510|1.885516|2.056882|1.919801|4.276241|2.660498|3.299365|4.823406|6.231390|4.892092|5.182147|4.655092|45.058349|8.798155|0.173785|17.581356|6.982759|10.917501|7.300308|4.577231|4.206323|3.377652|3.008434|3.129561|3.756558|3.678689|4.208288|0.124363|3.321537|1.960081|1.971406|1.756811|0.044319|0.043582|0.040101|0.040485|0.043456|0.055798|0.068941|0.072838|0.091198|0.081820|0.300088|0.300059|0.500000| |1.592727|1.735311|1.659340|1.765906|2.011741|2.152788|1.971260|4.463362|2.710720|3.381939|5.561543|7.249373|4.526308|4.743012|3.956498|32.176948|6.950744|0.283781|5.695599|5.933639|7.731975|8.924134|8.806722|17.808928|8.988782|5.652618|4.933591|5.611602|4.198110|4.473753|0.106163|3.929232|2.135383|2.020863|1.991442|0.043662|0.045112|0.040901|0.042267|0.046426|0.056218|0.074214|0.068676|0.073012|0.075381|0.173407|0.145130|0.121968|0.500000| |1.442820|1.542154|1.475487|1.545709|1.717158|1.825443|1.715388|3.647235|2.209755|2.582101|4.174826|4.768208|2.998237|3.447400|2.969173|20.588477|3.783733|0.125375|3.659035|3.542800|5.159916|5.563996|5.676744|8.957911|17.719652|8.934360|5.652920|4.983008|3.585143|3.353222|0.080781|3.041295|1.785960|1.672900|1.706539|0.039386|0.041346|0.037351|0.038057|0.040872|0.049056|0.062566|0.056681|0.056414|0.057756|0.116600|0.098600|0.085476|0.219276|0.500000| |1.217644|1.288014|1.242132|1.295233|1.415935|1.485209|1.408377|2.909809|1.735220|1.970055|3.036506|3.400602|2.270582|2.685666|2.406065|16.432224|2.929712|0.088916|2.927252|2.993203|4.548837|4.939944|4.947475|5.619594|8.921650|17.723595|8.890761|5.659779|4.022740|3.335713|0.080118|3.014592|1.472994|1.404950|1.423045|0.033388|0.034718|0.031845|0.032393|0.034590|0.040100|0.048685|0.045442|0.046348|0.046972|0.094591|0.076446|0.072672|0.124574|0.215199|0.500000| |1.129421|1.197131|1.161134|1.216045|1.328494|1.383231|1.305451|2.710717|1.599101|1.817355|2.725011|3.101883|2.164145|2.555879|2.345124|16.611520|2.977811|0.085385|2.965350|3.324022|5.162935|5.868489|5.629901|4.923938|5.648506|8.881324|17.703100|8.939134|6.617896|4.487803|0.105165|3.885113|1.395085|1.357751|1.344758|0.031141|0.031889|0.029636|0.030340|0.032637|0.037004|0.044041|0.042323|0.045243|0.045576|0.096020|0.073919|0.076673|0.107181|0.124100|0.213799|0.500000| |1.128256|1.206524|1.179184|1.247508|1.369751|1.413000|1.317408|2.783440|1.616561|1.848288|2.696566|3.122240|2.287948|2.693810|2.535554|18.850306|3.325332|0.089984|3.136908|4.234818|6.965539|7.944348|5.915745|4.285662|3.945276|4.511563|6.566282|8.775064|17.576073|8.712479|0.188945|7.270808|1.462254|1.452949|1.404604|0.031203|0.031511|0.029646|0.030766|0.033640|0.037055|0.043618|0.042950|0.048584|0.049174|0.096583|0.074895|0.084803|0.099217|0.089845|0.106011|0.185348|0.500000| |1.163657|1.239614|1.201204|1.263548|1.390686|1.451573|1.360781|2.876556|1.695481|1.954870|2.863377|3.359459|2.464457|2.865871|2.683383|20.604920|3.785417|0.098374|3.827694|4.815026|7.779223|8.871870|6.362639|4.469340|3.997987|4.436541|6.244215|8.872206|17.527258|8.742283|0.224598|5.568537|1.470405|1.465683|1.393369|0.032375|0.032518|0.030454|0.031266|0.033852|0.038595|0.045603|0.045436|0.051864|0.051233|0.122743|0.088564|0.106079|0.103700|0.090866|0.103203|0.166973|0.302074|0.500000| |1.164735|1.259569|1.244347|1.333776|1.471744|1.496637|1.374960|2.954018|1.677971|1.916904|2.725540|3.154257|2.406307|2.864357|2.768258|20.701961|3.381129|0.089699|2.948291|4.573291|8.437787|7.588680|4.605854|3.563464|3.092231|3.171287|3.852415|4.914864|6.696944|8.839376|0.213489|17.539439|1.604465|1.620413|1.546342|0.032158|0.032242|0.030669|0.032418|0.036213|0.038238|0.044615|0.044440|0.052360|0.054208|0.084294|0.070728|0.081179|0.089999|0.074126|0.076672|0.102024|0.207415|0.147824|0.500000| |1.296106|1.417421|1.401261|1.517230|1.697931|1.726382|1.562965|3.460220|1.953118|2.273750|3.215192|3.804750|2.978389|3.479973|3.364436|26.927742|4.321107|0.113409|3.453855|6.290829|12.149820|9.500926|5.077911|3.993941|3.253094|3.120833|3.574104|4.637988|5.458775|8.838889|0.214131|17.598807|1.878877|1.904967|1.793515|0.035741|0.035764|0.033969|0.036233|0.041079|0.043316|0.051325|0.051281|0.062358|0.065734|0.094835|0.081973|0.093840|0.105856|0.078769|0.074530|0.089921|0.143849|0.124078|0.300979|0.500000| |1.247371|1.355990|1.338142|1.440108|1.600847|1.631039|1.488973|3.244601|1.846328|2.136108|3.095519|3.626163|2.705283|3.160002|2.978262|22.731688|3.882256|0.108725|3.229907|5.181001|8.552745|9.445467|6.184122|4.737415|3.978443|3.961620|4.721087|6.186578|6.854804|8.797099|0.173697|17.544990|1.753345|1.739586|1.695247|0.034247|0.034687|0.032736|0.034712|0.038994|0.041382|0.049390|0.048193|0.055576|0.058537|0.093341|0.077729|0.084766|0.117265|0.093223|0.092710|0.117226|0.195249|0.138806|0.300711|0.300157|0.500000| |3.042947|3.983555|4.212310|5.662901|9.011960|7.286467|4.785725|14.444659|5.271856|4.836955|5.461150|4.855747|3.825137|6.353241|6.527473|22.577297|2.625700|0.077073|2.298939|2.344337|4.088551|2.872649|2.023726|2.152353|1.945372|1.716878|1.650914|1.769714|1.682481|1.875205|0.050770|1.905949|17.599168|8.933824|8.992620|0.079044|0.080302|0.076925|0.096981|0.142379|0.113452|0.129427|0.121270|0.115608|0.171133|0.058271|0.066678|0.060116|0.067482|0.055163|0.044645|0.042053|0.044045|0.044314|0.048337|0.057349|0.053512|0.500000| |2.994406|3.831203|4.053205|5.175872|6.949118|6.012102|4.430633|11.054499|4.469409|4.049488|4.421097|4.106777|3.443950|5.923547|7.416691|21.826121|2.425588|0.067876|2.176009|2.201353|3.980316|2.649513|1.821365|1.878572|1.691834|1.521685|1.491858|1.613336|1.571988|1.763280|0.048896|1.778864|8.735816|17.547617|5.478598|0.081698|0.075439|0.076526|0.095349|0.132792|0.106790|0.103580|0.118861|0.141801|0.207877|0.054452|0.062822|0.058887|0.057670|0.047182|0.039545|0.038357|0.041159|0.041975|0.045714|0.053887|0.048795|0.212106|0.500000| |2.930563|3.738807|4.370867|6.002067|6.778551|4.950035|3.915556|7.997276|3.413112|3.074235|3.555616|3.313722|2.670478|4.306572|4.959900|17.359613|2.026653|0.057106|1.833646|1.882259|3.399421|2.317913|1.610263|1.659752|1.518219|1.379680|1.351970|1.447402|1.412951|1.567648|0.043303|1.600777|8.758023|17.541250|6.826689|0.078014|0.073023|0.077812|0.106701|0.176604|0.091954|0.084690|0.090743|0.096658|0.124367|0.046742|0.052497|0.049643|0.050342|0.042481|0.036150|0.035021|0.037391|0.037679|0.041557|0.048196|0.044221|0.173859|0.302382|0.500000| |2.500846|3.101889|3.405148|4.417386|5.494119|4.436878|3.420204|8.160174|3.512316|3.392000|3.934284|3.776186|3.122363|4.979728|5.821425|20.695493|2.354458|0.066441|2.065163|2.199543|3.996722|2.679117|1.837611|1.885620|1.698652|1.533769|1.509172|1.633716|1.597560|1.802168|0.049619|1.861936|8.755921|17.537203|6.902396|0.066964|0.064405|0.065520|0.083410|0.124567|0.083636|0.085794|0.090312|0.106354|0.151505|0.052278|0.058427|0.055648|0.057579|0.047200|0.039840|0.038861|0.042183|0.042229|0.047922|0.056925|0.051417|0.214593|0.300954|0.301113|0.500000| |2.944714|3.759772|4.424463|6.130691|6.869965|4.942383|3.917490|7.901050|3.459437|3.138743|3.891844|3.509332|2.622673|4.009931|4.011029|16.280477|2.029421|0.059853|1.818480|1.870203|3.251602|2.375412|1.709492|1.822553|1.699759|1.524837|1.458232|1.531885|1.454320|1.586239|0.042669|1.632785|8.752351|5.479583|17.561350|0.073300|0.078543|0.078070|0.108145|0.182771|0.091772|0.094564|0.084174|0.075330|0.094881|0.047393|0.052265|0.047705|0.055893|0.048684|0.040299|0.037572|0.038656|0.038275|0.042019|0.048397|0.046452|0.211966|0.122379|0.140070|0.140337|0.500000| |2.480624|3.075546|3.509459|4.687887|5.473202|4.147941|3.270306|7.199533|3.175718|3.035472|3.732995|3.508734|2.714677|4.116446|4.279098|17.510801|2.135647|0.062294|1.877239|2.002937|3.537591|2.522858|1.782975|1.869516|1.718967|1.548335|1.499935|1.594921|1.532443|1.696874|0.045796|1.772561|8.826026|6.861285|17.548134|0.063891|0.065521|0.065916|0.087421|0.141566|0.078980|0.083225|0.078508|0.078741|0.103181|0.048625|0.053163|0.049609|0.057116|0.048522|0.040608|0.038650|0.040820|0.040151|0.045620|0.053332|0.050182|0.219654|0.140586|0.167205|0.205871|0.301385|0.500000| |2.855088|3.625102|4.515246|6.592436|6.561867|4.455481|3.621562|6.953619|3.051503|2.764350|3.364142|3.098352|2.380461|3.671403|3.863245|15.256295|1.871289|0.054072|1.687733|1.747588|3.093510|2.206633|1.566816|1.640680|1.525275|1.384543|1.340610|1.415401|1.363624|1.493177|0.040594|1.540922|8.703705|6.879181|17.552894|0.072262|0.073561|0.077459|0.113992|0.237079|0.084356|0.080854|0.077600|0.073830|0.092333|0.043817|0.048226|0.044954|0.049749|0.043204|0.036571|0.034757|0.036355|0.036074|0.039999|0.045915|0.043373|0.173953|0.139880|0.203773|0.172092|0.301221|0.302922|0.500000|
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