Version2.3 2021-04-02T10:53:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@H]2CN3C(=O)CN(C(=O)[C@@]3([C@@H]4C2=c5ccccc5=[NH+]4)C)CCCOC C63372260 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@H]2CN3C(=O)CN(C(=O)[C@@]3([C@@H]4C2=c5ccccc5=[NH+]4)C)CCCOC C01[X(C26H30N3O3)] 180 C1 540 COCCCN1CC(=O)N2[C@@](C1=O)(C)[C@H]1[NH+]=c3c(=C1[C@H](C2)c1ccc(cc1)C)cccc3 COCCCN1CC(=O)N2[C@@](C1=O)(C)[C@H]1[NH+]=c3c(=C1[C@H](C2)c1ccc(cc1)C)cccc3 COCCCN1CC(=O)N2C[C@H](c3ccc(C)cc3)C4=C5C=CC=CC5=[NH+][C@@H]4[C@@]2(C)C1=O InChIKey=FGRXPLPWRADLBX-PSUQPPDWSA-O InChI=1S/C26H29N3O3/c1-17-9-11-18(12-10-17)20-15-29-22(30)16-28(13-6-14-32-3)25(31)26(29,2)24-23(20)19-7-4-5-8-21(19)27-24/h4-5,7-12,20,24H,6,13-16H2,1-3H3/p+1/t20-,24+,26+/m1/s1 InChI=1/C26H29N3O3/c1-17-9-11-18(12-10-17)20-15-29-22(30)16-28(13-6-14-32-3)25(31)26(29,2)24-23(20)19-7-4-5-8-21(19)27-24/h4-5,7-12,20,24H,6,13-16H2,1-3H3/p+1/t20-,24+,26+/m1/s1/fC26H30N3O3/h27H/q+1 Cc1ccc(cc1)[C@H]2CN3C(=O)CN(C(=O)[C@@]3([C@@H]4C2=c5ccccc5=[NH+]4)C)CCCOC C01[X(C26H30N3O3)] 180 C01 540 COCCCN1CC(=O)N2[C@@](C1=O)(C)[C@H]1[NH+]=c3c(=C1[C@H](C2)c1ccc(cc1)C)cccc3 COCCC[N]1[C](=O)[C@]2(N(C(=O)C1)C[C@@H](C1=[C]3[C]([NH][C@H]21)[CH]=[CH][CH]=[CH]3)[C]1[CH][CH][C]([CH][CH]1)C)C COCCCN1CC(=O)N2C[C@H]([C]3[CH][CH][C](C)[CH][CH]3)C4=C5C=CC=C[C]5N[C@@H]4[C@@]2(C)C1=O InChIKey=GDSNMWFMZDZQOL-PSUQPPDWSA-N InChI=1S/C26H30N3O3/c1-17-9-11-18(12-10-17)20-15-29-22(30)16-28(13-6-14-32-3)25(31)26(29,2)24-23(20)19-7-4-5-8-21(19)27-24/h4-5,7-12,20,24,27H,6,13-16H2,1-3H3/t20-,24+,26+/m1/s1 InChI=1/C26H30N3O3/c1-17-9-11-18(12-10-17)20-15-29-22(30)16-28(13-6-14-32-3)25(31)26(29,2)24-23(20)19-7-4-5-8-21(19)27-24/h4-5,7-12,20,24,27H,6,13-16H2,1-3H3/t20-,24+,26+/m1/s1 3232.3300392592 -1389.8084021 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1584.75 1590.61 1595.21 1603.30 1605.72 1619.66 1630.00 1640.40 1664.91 1671.02 1684.11 1690.86 1699.81 1719.83 1736.41 1773.76 1776.16 1814.48 1832.07 1854.10 1858.19 1859.41 1863.47 1886.03 1895.22 1901.56 1912.80 1917.33 1927.73 1938.67 1960.31 1986.14 2002.97 2010.20 2021.06 2050.56 2060.97 2078.79 2091.15 2101.51 2122.70 2123.17 2159.71 2185.37 2200.74 2207.86 2232.51 2235.90 2246.64 2257.84 2259.41 2272.54 2288.84 2292.81 2338.53 2343.84 2349.81 2353.37 2353.47 2356.45 2359.47 2364.93 2367.31 2372.34 2383.38 2393.86 2423.85 2427.30 2438.04 2492.69 2541.79 2545.06 2619.95 2654.96 2723.19 2847.15 4542.24 4582.82 4586.22 4610.26 4621.74 4635.38 4644.45 4645.36 4650.91 4657.57 4673.49 4691.97 4707.71 4710.40 4738.44 4748.30 4764.79 4775.81 4787.88 4795.42 4827.43 4829.53 4856.54 4861.56 4862.83 4876.08 4901.49 4909.72 4966.29 5528.73 0.563319 0.591115 0.592059 0.501561 -1389.245083 -1389.217287 -1389.216343 -1389.306841 3.035318D-04 MUNgauss RevisionA2.1 retrievium 02-Apr-2021 DUDE Cc1ccc(cc1)[C@H]2CN3C(=O)CN(C(=O)[C@@]3([C@@H]4C2=c5ccccc5=[NH+]4)C)CCCOC C63372260 RHF 6-31G(d) (6D,10F) C1 432.228717 |X|Y|Z| 121.035751 57.556320 24.818265 55.709086 23 6 7 20 3 |36.858105| |12.615487|36.858105| |7.539520|13.722887|36.858105| |5.006562|7.885823|13.742199|36.858105| |4.403650|6.764538|7.894324|13.733410|36.858105| |5.010264|7.879503|6.908459|7.988380|13.680039|36.858105| |7.543006|13.677371|7.998242|6.915539|7.897037|13.781969|36.858105| |3.260009|4.395627|5.015165|7.576574|12.550006|7.480877|4.992487|36.858105| |3.046541|3.991525|4.834282|7.448396|8.965134|5.592558|4.202366|17.515332|0.500000| |2.896109|3.720131|3.972136|5.230869|7.502858|6.185826|4.349023|12.332928|0.249253|36.858105| |2.377480|2.913766|3.112174|3.914914|4.962538|4.278705|3.288073|7.626009|0.193581|13.031790|53.358707| |2.148846|2.560755|2.718357|3.286837|3.901623|3.484990|2.829010|5.198646|0.142453|7.908968|18.935824|36.858105| |2.205411|2.612199|2.769894|3.296969|3.813343|3.440696|2.855255|4.722718|0.131283|7.058678|11.501302|15.965941|73.516695| |1.843311|2.142344|2.255517|2.649635|3.043031|2.786825|2.339504|3.866168|0.107493|5.024376|10.504617|12.606414|14.496717|36.858105| |1.766005|2.048797|2.165017|2.548497|2.915677|2.654021|2.229641|3.757229|0.105028|4.470444|9.260871|7.616304|9.478502|13.160885|53.358707| |1.878406|2.204073|2.327608|2.774941|3.250142|2.943979|2.425843|4.341139|0.118042|4.947035|10.367279|6.618376|8.324531|7.822774|19.511486|36.858105| |1.769394|2.054560|2.164768|2.545454|2.925379|2.674587|2.243465|3.764940|0.102901|3.973325|7.269034|4.668482|6.427356|5.348451|11.558867|15.734396|73.516695| |2.198364|2.653756|2.792615|3.427578|4.287900|3.845895|3.007022|6.258671|0.155753|7.607934|17.769854|7.717700|9.496890|6.678196|10.506228|12.400067|14.404636|36.858105| |2.340376|2.865073|3.092509|3.906202|4.852802|4.109840|3.192539|7.455677|0.189568|6.600116|10.813274|5.239510|7.338061|4.567634|7.230665|7.755127|12.549922|12.258459|36.858105| |2.238227|2.715523|3.012240|3.829241|4.463472|3.648908|2.923834|6.699496|0.200109|5.791985|9.709403|5.134590|7.280043|4.580156|7.401828|7.426887|12.247630|8.870959|17.527156|0.500000| |2.856275|3.669145|4.006978|5.367984|7.418029|5.805680|4.182568|12.683013|0.255713|7.713107|9.224424|4.573176|6.948186|3.733072|5.358465|4.971061|8.087965|7.438279|12.679434|0.251691|36.858105| |2.858746|3.597296|3.809461|4.740147|6.022744|5.313070|4.090392|7.216854|0.164836|5.144172|6.347490|3.493682|5.468832|3.027517|4.418595|4.046866|7.093460|5.366281|8.194165|0.178287|14.040532|36.858105| |3.260144|4.096544|4.211209|4.889193|5.786987|5.541900|4.608296|5.563469|0.131762|4.108076|4.880392|2.855991|4.653078|2.496412|3.555844|3.099376|5.460533|3.865729|5.061410|0.122165|7.372104|13.150200|36.858105| |2.864564|3.379156|3.392602|3.707418|4.128968|4.122766|3.702314|4.026161|0.100035|3.235938|4.025130|2.439078|3.985453|2.202333|3.175990|2.748345|4.991756|3.257839|4.103449|0.101443|5.120423|7.939473|14.208184|36.858105| |2.361667|2.722660|2.754077|3.035008|3.383246|3.335515|2.973005|3.525042|0.089413|2.969423|3.888470|2.376275|3.822474|2.208694|3.271240|2.876777|5.428743|3.293558|4.158107|0.102572|4.638259|6.849962|7.848033|13.165741|36.858105| |2.186605|2.543403|2.611102|2.962387|3.373236|3.240287|2.796040|3.762764|0.095832|3.227223|4.411130|2.655207|4.168318|2.504095|3.822746|3.488626|6.820651|3.955989|5.213327|0.125118|5.285374|7.613421|6.599526|7.719972|14.080374|36.858105| |2.356256|2.827737|2.957027|3.514917|4.188708|3.858863|3.154323|5.073576|0.125860|4.192731|5.778732|3.286791|5.032348|3.019186|4.643309|4.437683|8.445218|5.436781|8.404592|0.181254|8.428289|13.118944|7.632315|6.826152|8.075482|13.434215|36.858105| |2.164479|2.584860|2.729697|3.285672|3.920215|3.535781|2.869348|5.133494|0.131289|4.560124|6.968843|3.877797|5.684768|3.655052|5.955447|6.250376|12.501144|7.508848|13.227042|0.255972|8.275181|8.412986|5.284201|4.664516|5.272208|7.753439|14.557650|53.358707| |1.944106|2.277173|2.392708|2.819022|3.270556|3.000088|2.501412|4.136033|0.109158|3.878252|6.157977|3.633502|5.318256|3.624247|6.200869|6.611647|15.612858|6.629456|8.925054|0.209226|5.841592|5.881320|4.211831|3.933899|4.613401|6.747267|9.172094|25.951436|0.500000| |2.166405|2.580388|2.605932|3.071215|3.881888|3.815456|3.017338|5.012188|0.118204|6.115015|10.394102|5.727612|7.889231|5.272428|7.738124|7.669170|11.178085|12.369828|7.402509|0.152161|5.931337|4.963097|3.773794|3.277329|3.354297|3.989482|5.165297|8.720766|0.162991|36.858105| |1.557687|1.774499|1.869890|2.154325|2.395247|2.206943|1.904755|2.945464|0.083374|3.330123|6.088084|4.976470|7.102410|7.639730|17.663232|7.893031|12.370541|4.976525|3.988215|0.116034|3.101581|2.690860|2.234742|2.048457|2.139180|2.483488|2.886279|4.887208|0.108103|4.163194|36.858105| |1.453949|1.638226|1.697581|1.920906|2.140589|2.027660|1.770524|2.552891|0.070466|2.898613|5.039199|4.076393|6.080918|5.862699|10.406005|5.859570|9.895864|4.161273|3.341695|0.092691|2.698661|2.412671|2.043774|1.903201|2.002211|2.307914|2.608141|4.295852|0.095768|3.921409|12.474906|36.858105| |1.307264|1.455341|1.508332|1.685514|1.843356|1.750718|1.554996|2.147617|0.059878|2.370586|3.933884|3.139598|4.908644|4.145825|6.752318|4.146967|7.459838|3.168047|2.717438|0.076592|2.261098|2.066902|1.788589|1.689562|1.784113|2.032652|2.236514|3.584732|0.080127|3.011154|7.528517|12.522415|36.858105| |1.241482|1.371950|1.407430|1.555919|1.702783|1.642507|1.470937|1.949912|0.053708|2.153110|3.480512|2.751574|4.386754|3.483131|5.354161|3.459862|6.238077|2.794652|2.409294|0.066562|2.050957|1.902591|1.668813|1.590215|1.681519|1.898799|2.055969|3.229493|0.071761|2.783822|5.119274|8.102456|13.706831|73.516695| |1.139733|1.249319|1.281542|1.405160|1.520304|1.468397|1.329294|1.717260|0.047553|1.867171|2.950447|2.313603|3.763366|2.820747|4.241370|2.807106|5.120768|2.337203|2.076765|0.057817|1.799346|1.688104|1.501022|1.441914|1.524714|1.704554|1.818684|2.807914|0.062124|2.319826|3.913610|5.222623|8.130926|24.248399|36.858105| |17.575273|8.839532|5.672437|4.207820|3.942214|4.682043|7.020908|3.009290|0.077053|2.703251|3.061340|2.029656|3.669730|1.760237|2.310162|1.813761|3.058730|2.117537|2.249935|0.059169|2.726747|2.795526|3.250727|2.929006|2.406309|2.197605|2.329465|2.883659|0.053020|2.126391|1.503080|1.414925|1.274305|2.163223|1.118322|0.500000| |17.543797|8.871472|6.182198|4.420025|3.966720|4.486766|6.363252|3.028572|0.079208|2.792236|3.131840|2.117995|3.924593|1.816079|2.340900|1.807468|3.008366|2.100987|2.190914|0.058420|2.619538|2.568599|2.834442|2.506359|2.118440|1.991972|2.153044|2.738877|0.050601|2.074317|1.520815|1.424113|1.282443|2.169906|1.121774|0.302224|0.500000| |17.586846|8.839866|7.132797|4.710346|3.940821|4.183244|5.610456|3.012487|0.080293|2.640960|3.010560|2.008271|3.652944|1.739581|2.284660|1.782390|3.006054|2.058429|2.216425|0.059684|2.676555|2.698865|3.089639|2.758566|2.283369|2.105199|2.248114|2.809069|0.051735|2.004597|1.492270|1.388477|1.256384|2.117073|1.097954|0.301518|0.302095|0.500000| |6.980431|8.917023|17.715296|8.948633|5.638354|4.970359|5.666111|4.103092|0.115310|3.352406|3.730021|2.448021|4.456685|2.068275|2.711979|2.120661|3.535394|2.478378|2.739831|0.075664|3.408222|3.276921|3.604644|3.026872|2.504264|2.371105|2.636489|3.337410|0.060563|2.300643|1.745942|1.584978|1.422527|2.359675|1.216431|0.144217|0.164195|0.215353|0.500000| |4.093307|5.634921|8.951475|17.700510|8.905847|5.658516|4.972914|7.035996|0.230199|4.886029|5.279525|3.300480|5.867425|2.684558|3.541834|2.813312|4.601942|3.387132|3.930108|0.112421|5.149704|4.457189|4.407982|3.441839|2.902809|2.880717|3.424901|4.453721|0.078661|2.928664|2.212697|1.943708|1.713703|2.788081|1.419813|0.097176|0.103134|0.112235|0.217471|0.500000| |4.101730|5.637177|4.969869|5.653515|8.858794|17.704982|8.988806|6.878557|0.139407|6.525356|6.228573|3.678024|6.332469|2.951820|3.824860|3.150793|5.059591|4.223592|4.321816|0.102395|5.897110|5.421538|5.368662|4.109325|3.430875|3.393561|4.065343|5.114941|0.088554|4.473767|2.315080|2.154234|1.840972|3.088646|1.542384|0.111511|0.105172|0.096598|0.107808|0.123885|0.500000| |6.996662|8.904941|5.668401|4.973515|5.636529|8.961129|17.709319|4.078288|0.096502|3.771867|4.030017|2.595280|4.659894|2.186443|2.836231|2.256722|3.733379|2.758465|2.865259|0.072448|3.603245|3.607212|4.069978|3.444820|2.816430|2.631507|2.896697|3.591021|0.064764|2.861028|1.796800|1.694535|1.494018|2.535374|1.291697|0.208643|0.172510|0.142092|0.124266|0.107852|0.218472|0.500000| |2.945912|3.752104|4.064938|5.265613|6.833662|5.639872|4.233824|8.869200|0.221267|17.716830|12.587337|7.774964|15.084844|4.813305|5.512907|4.182494|6.058183|5.626967|4.977837|0.131195|5.621452|4.113875|3.497267|2.824018|2.582299|2.753636|3.429847|5.004378|0.089772|4.698461|3.114197|2.714341|2.254889|3.645832|1.792940|0.075016|0.080628|0.074653|0.096463|0.138896|0.155253|0.101729|0.500000| |2.973592|3.797335|3.817470|4.728534|6.930675|6.899074|4.722772|8.766245|0.174707|17.594302|12.363746|6.472693|10.621992|4.509184|5.484001|4.475562|6.560190|6.766449|5.682096|0.131996|6.711423|4.974139|4.117456|3.279720|2.997527|3.217839|4.085476|5.859504|0.102499|6.688283|3.077054|2.789526|2.285072|3.761412|1.833856|0.078507|0.079889|0.073851|0.088578|0.116945|0.233339|0.117481|0.304226|0.500000| |1.753208|2.017832|2.141725|2.494328|2.780596|2.528570|2.164337|3.437132|0.098746|4.272998|8.028949|9.126511|13.510675|17.637468|12.520361|5.871266|7.912808|5.032540|3.850531|0.111658|3.253401|2.684040|2.260472|2.008386|2.007103|2.248451|2.662285|4.291990|0.087262|4.073513|7.217899|5.403012|4.111992|6.041444|2.810975|0.046287|0.048243|0.046277|0.055257|0.071213|0.072950|0.056141|0.119856|0.105539|0.500000| |1.777682|2.045559|2.114721|2.436605|2.806329|2.655856|2.254302|3.432404|0.092740|4.477309|8.458869|9.054297|12.545131|17.539398|12.323428|6.329386|8.320321|5.682166|3.942819|0.105770|3.334320|2.785296|2.339364|2.086874|2.097631|2.360272|2.789984|4.499737|0.091674|5.201084|6.573499|6.094516|4.240335|6.615524|2.959569|0.047493|0.048907|0.046370|0.053827|0.067477|0.079442|0.059420|0.119685|0.119213|0.303645|0.500000| |3.979665|5.264801|5.378905|6.115224|7.062436|6.887347|5.883509|5.793320|0.136489|4.174521|4.722380|2.803411|4.677668|2.406947|3.344813|2.840149|4.896523|3.540192|4.404173|0.109599|6.504347|8.701318|17.802006|9.043245|5.586400|4.814687|5.492140|5.824628|0.097715|3.434426|2.103029|1.923194|1.688985|2.806602|1.424727|0.109212|0.093152|0.103809|0.122816|0.143506|0.168519|0.137144|0.101475|0.116496|0.061099|0.062781|0.500000| |2.967576|3.391413|3.332498|3.469603|3.713024|3.809033|3.629345|3.462154|0.087382|2.844883|3.515438|2.180144|3.619384|1.975508|2.816005|2.384869|4.310295|2.776064|3.355280|0.084972|4.092192|5.621389|9.062951|17.754812|8.773683|5.593141|4.933056|5.028099|0.089623|2.809673|1.838322|1.720963|1.543387|2.598525|1.335189|0.085965|0.071255|0.080206|0.083869|0.088948|0.103634|0.095594|0.070655|0.080565|0.050531|0.052351|0.216326|0.500000| |2.177316|2.445314|2.451517|2.635825|2.870940|2.867489|2.634616|2.943302|0.075835|2.547527|3.361370|2.104031|3.415683|1.982304|2.928619|2.528397|4.801737|2.811948|3.403061|0.086014|3.676536|4.941471|5.649645|8.793051|17.721556|9.096729|5.700800|5.728260|0.107893|2.891649|1.951237|1.848232|1.669418|2.819817|1.450865|0.062182|0.054487|0.058905|0.062881|0.070370|0.081734|0.070494|0.062676|0.071708|0.050460|0.052704|0.124083|0.215641|0.500000| |1.947554|2.226707|2.281919|2.559670|2.870512|2.768905|2.426898|3.213270|0.083479|2.865634|4.033956|2.490146|3.902003|2.415034|3.750362|3.406359|6.924912|3.654389|4.566852|0.113028|4.296106|5.477913|4.811276|5.522822|8.945637|17.754621|8.761353|9.301116|0.191187|3.722250|2.497526|2.350921|2.093028|3.489908|1.768590|0.054422|0.049793|0.052286|0.058282|0.069871|0.080819|0.064157|0.068874|0.079322|0.060473|0.063610|0.105213|0.123179|0.216480|0.500000| |2.053767|2.411787|2.415736|2.796827|3.460634|3.461794|2.807587|4.283648|0.103793|5.565249|9.551900|6.118850|8.520233|5.894392|7.960812|6.824651|9.631129|8.813898|5.437758|0.123415|4.613031|3.919149|3.161444|2.791426|2.832498|3.264244|3.992046|6.457329|0.126289|17.574179|4.308992|4.250486|3.188005|5.316646|2.454614|0.055977|0.055372|0.052664|0.059677|0.074155|0.112366|0.074976|0.126673|0.173442|0.122926|0.177445|0.082191|0.068183|0.069489|0.086252|0.500000| |2.411256|2.913843|2.882215|3.387817|4.464354|4.613700|3.531919|5.554795|0.122958|6.602952|9.233123|5.004678|7.371479|4.314684|5.997168|5.533598|8.559324|8.718533|6.804636|0.138483|6.564424|5.647491|4.349405|3.683451|3.646154|4.194165|5.435636|8.172800|0.143555|17.590265|3.392638|3.212615|2.572651|4.290971|2.056290|0.066175|0.063696|0.061183|0.069414|0.087049|0.160162|0.093452|0.136924|0.225950|0.097045|0.118694|0.110479|0.087262|0.086158|0.104719|0.302114|0.500000| |2.000349|2.343621|2.361536|2.735243|3.347501|3.308211|2.702401|4.153843|0.101252|4.630701|7.574431|4.504286|6.425698|4.486801|7.084808|7.220855|12.340812|8.763414|6.626309|0.140209|5.149980|4.724033|3.639945|3.299059|3.540886|4.373274|5.448963|9.439751|0.192110|17.625901|4.101635|4.005065|3.111529|5.169668|2.419719|0.055016|0.052987|0.051840|0.058609|0.073061|0.105749|0.071963|0.103983|0.136768|0.099882|0.124052|0.089700|0.078256|0.085519|0.117672|0.301713|0.301413|0.500000| |1.529721|1.740464|1.843973|2.125735|2.342657|2.143314|1.856146|2.878798|0.082306|3.120085|5.550740|4.243168|6.158601|5.699161|12.550134|7.550727|14.115015|4.718320|4.082425|0.122240|3.115740|2.748337|2.274221|2.103532|2.227135|2.617449|3.021438|5.186786|0.118567|3.899109|17.659323|8.823735|6.841519|8.368054|3.771131|0.041053|0.041245|0.040937|0.048033|0.061102|0.062010|0.048516|0.080312|0.079710|0.151228|0.136462|0.058874|0.052259|0.056527|0.074071|0.106993|0.089497|0.110283|0.500000| |1.518411|1.721732|1.824064|2.093380|2.291744|2.100503|1.829521|2.781854|0.080162|3.146358|5.602434|4.826947|7.225744|7.353748|12.565771|5.907018|9.190176|4.231138|3.504892|0.104135|2.836157|2.455379|2.072726|1.896276|1.956012|2.231326|2.573059|4.232584|0.091377|3.539081|17.579751|8.795132|6.833064|8.364639|3.771390|0.040502|0.041401|0.040533|0.047646|0.060206|0.060516|0.047854|0.084323|0.079946|0.232765|0.172538|0.054866|0.047682|0.049781|0.061897|0.102481|0.082998|0.094725|0.302655|0.500000| |1.464237|1.646692|1.695737|1.909864|2.135387|2.042509|1.787139|2.522505|0.069078|2.940963|5.069407|4.288508|6.529650|6.334829|9.434470|5.193026|8.240443|3.999930|3.135887|0.085788|2.604729|2.315129|1.979392|1.834064|1.905757|2.166735|2.449630|3.956544|0.085888|3.888503|8.807847|17.547599|8.955317|13.231421|4.905259|0.039571|0.040076|0.038673|0.043892|0.053326|0.060581|0.047722|0.077530|0.079613|0.162341|0.206617|0.052240|0.046309|0.048888|0.060650|0.123000|0.089414|0.106881|0.173066|0.210093|0.500000| |1.475524|1.664590|1.713734|1.937097|2.179306|2.083693|1.813324|2.598606|0.070583|2.923835|5.041181|3.870750|5.718719|5.194894|9.468592|6.229980|11.291622|4.413248|3.537703|0.095381|2.821350|2.559511|2.155122|2.021554|2.155807|2.517623|2.831001|4.711267|0.107478|4.382898|8.868224|17.568868|8.935315|13.131053|4.883095|0.040110|0.039963|0.039057|0.044247|0.054035|0.062121|0.048404|0.074487|0.079450|0.126078|0.151571|0.055727|0.050510|0.055272|0.072032|0.130906|0.097715|0.130891|0.212342|0.173306|0.302431|0.500000| |1.285734|1.430423|1.488092|1.663647|1.809773|1.710337|1.521686|2.109030|0.059125|2.277257|3.750535|2.907784|4.534135|3.701996|6.254699|4.058828|7.732222|3.075499|2.728203|0.077749|2.253222|2.081705|1.800356|1.713039|1.827044|2.095259|2.285901|3.676177|0.083631|2.888816|6.855690|8.826215|17.473820|16.555661|7.270742|0.034842|0.034889|0.034463|0.039097|0.047200|0.049724|0.040525|0.059811|0.060661|0.101586|0.101503|0.046939|0.043407|0.047641|0.060589|0.082542|0.068945|0.084329|0.204077|0.168936|0.174144|0.213242|0.500000| |1.279131|1.420133|1.477755|1.648230|1.786246|1.688561|1.507086|2.070352|0.058326|2.288109|3.767854|3.078753|4.916684|4.064392|6.261849|3.732333|6.516191|2.928332|2.533883|0.072414|2.140494|1.945255|1.695191|1.595204|1.667870|1.880425|2.071883|3.284900|0.072225|2.733217|6.862047|8.818350|17.467326|16.561035|7.279269|0.034506|0.034988|0.034224|0.038893|0.046790|0.048949|0.040142|0.061437|0.060781|0.118330|0.114137|0.044830|0.040671|0.043380|0.053349|0.080438|0.065845|0.076729|0.169303|0.204179|0.212638|0.173879|0.301349|0.500000| |1.115634|1.220442|1.255509|1.374733|1.478297|1.422916|1.292216|1.664843|0.046407|1.812364|2.853377|2.267671|3.735048|2.763784|4.060731|2.639146|4.733573|2.216128|1.974875|0.055460|1.724140|1.609271|1.436144|1.374576|1.442607|1.602450|1.715390|2.636621|0.057765|2.169277|3.750722|4.738807|7.212767|16.452621|17.517587|0.030320|0.030590|0.029902|0.033214|0.038719|0.041298|0.034823|0.048831|0.049180|0.078429|0.080123|0.038082|0.035460|0.038108|0.045877|0.063803|0.053772|0.061901|0.099324|0.105232|0.127584|0.117114|0.175445|0.216505|0.500000| |1.104540|1.205547|1.229220|1.339795|1.450459|1.413015|1.285315|1.623491|0.044667|1.765616|2.754156|2.148383|3.523725|2.569034|3.787724|2.550954|4.637818|2.176636|1.937897|0.053433|1.699110|1.605190|1.438166|1.387486|1.466493|1.629502|1.725283|2.634782|0.057986|2.204469|3.337534|4.375151|5.868181|16.891343|17.633829|0.030205|0.030238|0.029519|0.032402|0.037416|0.041354|0.034878|0.047121|0.048636|0.070478|0.075909|0.037976|0.035826|0.038931|0.046988|0.065138|0.054784|0.064045|0.088887|0.088899|0.119258|0.118653|0.147478|0.147594|0.299799|0.500000| |1.119760|1.226671|1.261535|1.383302|1.491176|1.435523|1.301079|1.684318|0.046794|1.806270|2.844650|2.195370|3.556465|2.639314|4.056807|2.746785|5.143809|2.277348|2.062642|0.057744|1.781210|1.683967|1.498412|1.447947|1.542213|1.729665|1.831276|2.826831|0.063140|2.244218|3.747822|4.737428|7.211461|16.452618|17.516960|0.030541|0.030516|0.030056|0.033333|0.038940|0.041750|0.035065|0.047981|0.049098|0.072860|0.075301|0.039346|0.037233|0.040909|0.050259|0.064816|0.055411|0.065689|0.105117|0.099253|0.117497|0.127181|0.216141|0.175627|0.299374|0.299766|0.500000| 1388.293013 -9684.408283 3864.453947 -190.477394 -4622.138718 3232.330272 -1389.808446 2.001092 40B3AFFFFFFFFFD0 448C7E852CD1A6FC 440F93F86FBAE79A 4208B473CB7FFFFE 37C5C72F9A248A00 43A039A5F9AD0993