Version2.0 2020-07-31T15:32:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 13-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C=CCNC(=O)C[NH+]1CCc2c(cccc2NC(=O)Nc3ccc(cc3)F)C1 C67401512 RHF 6-31G(d) (6D,7F) C=CCNC(=O)C[NH+]1CCc2c(cccc2NC(=O)Nc3ccc(cc3)F)C1 C01[X(C21H24F1N4O2)] 150 C1 468 C=CCNC(=O)C[NH+]1CCc2c(C1)cccc2NC(=O)Nc1ccc(cc1)F C=CCNC(=O)C[NH+]1CCc2c(C1)cccc2NC(=O)Nc1ccc(cc1)F Fc1ccc(NC(=O)Nc2cccc3C[NH+](CCc23)CC(=O)NCC=C)cc1 InChIKey=MVSHGTZZTSGAKI-UHFFFAOYSA-O InChI=1S/C21H23FN4O2/c1-2-11-23-20(27)14-26-12-10-18-15(13-26)4-3-5-19(18)25-21(28)24-17-8-6-16(22)7-9-17/h2-9H,1,10-14H2,(H,23,27)(H2,24,25,28)/p+1 InChI=1/C21H23FN4O2/c1-2-11-23-20(27)14-26-12-10-18-15(13-26)4-3-5-19(18)25-21(28)24-17-8-6-16(22)7-9-17/h2-9H,1,10-14H2,(H,23,27)(H2,24,25,28)/p+1/fC21H24FN4O2/h23-26H/q+1 C=CCNC(=O)C[NH+]1CCc2c(cccc2NC(=O)Nc3ccc(cc3)F)C1 C01[X(C21H24F1N4O2)] 150 C01 468 C=CCNC(=O)C[NH+]1CCc2c(C1)cccc2NC(=O)Nc1ccc(cc1)F C=CC[NH][C](=O)C[NH]1CC[C]2[C]([CH][CH][CH][C]2NC(=O)N[C]2[CH][CH][C]([CH][CH]2)F)C1 F[C]1[CH][CH][C]([CH][CH]1)NC(=O)N[C]2[CH][CH][CH][C]3C[NH](CC[C]23)CC(=O)NCC=C InChIKey=YIXQFWJVCAWMJH-UHFFFAOYSA-N InChI=1S/C21H24FN4O2/c1-2-11-23-20(27)14-26-12-10-18-15(13-26)4-3-5-19(18)25-21(28)24-17-8-6-16(22)7-9-17/h2-9,26H,1,10-14H2,(H,23,27)(H2,24,25,28) InChI=1/C21H24FN4O2/c1-2-11-23-20(27)14-26-12-10-18-15(13-26)4-3-5-19(18)25-21(28)24-17-8-6-16(22)7-9-17/h2-9,26H,1,10-14H2,(H,23,27)(H2,24,25,28)/f/h23-25H 2431.7926086993 -1276.0018389 1-A 19150.2441 101 367 468 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.36583 -20.67568 -20.61544 -15.83851 -15.72607 -15.69369 -15.68550 -11.50314 -11.47713 -11.44997 -11.43674 -11.42620 -11.39029 -11.38463 -11.37717 -11.37291 -11.36727 -11.35911 -11.35327 -11.35012 -11.34541 -11.34406 -11.32982 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.01472 0.02284 0.04657 0.06594 0.06850 0.07884 0.08062 0.09951 0.11459 0.11987 0.13201 0.13692 0.14410 0.15296 0.15520 0.16555 0.16734 0.17311 0.17868 0.18379 0.18675 0.19286 0.20240 0.20893 0.21247 0.22194 0.22919 0.23058 0.23743 0.24383 0.24730 0.25437 0.25818 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12.00000 15.99491 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8195.0420 27980.1567 34491.5403 0.99981 0.01869 -0.00492 -0.01866 0.99981 0.00617 0.00503 -0.00608 0.99997 1 0.01057 0.00310 0.00251 0.22022 0.06450 0.05232 16.74 29.44 30.86 46.00 53.65 71.58 94.85 107.57 109.75 135.56 155.50 172.54 207.34 235.64 288.77 305.40 337.89 345.09 382.10 391.20 457.15 484.51 519.93 525.04 548.31 562.49 613.77 619.97 673.20 674.04 691.32 741.49 750.71 756.51 782.86 806.51 809.22 834.07 837.22 877.36 927.98 963.50 1000.88 1005.31 1048.40 1073.67 1111.09 1119.49 1141.96 1221.94 1226.08 1264.20 1284.93 1299.30 1328.50 1332.16 1358.96 1382.27 1407.57 1426.88 1441.75 1490.12 1517.14 1529.34 1543.38 1568.17 1573.20 1592.22 1603.17 1605.91 1610.31 1614.22 1623.76 1646.43 1648.94 1677.80 1709.51 1713.86 1736.11 1745.39 1785.03 1820.35 1835.66 1846.03 1872.40 1879.32 1888.26 1924.25 1935.59 1966.41 1972.43 1989.97 2006.13 2011.24 2032.08 2057.62 2069.19 2079.65 2098.60 2130.92 2180.62 2196.33 2210.03 2250.51 2254.21 2282.04 2301.73 2324.29 2339.40 2344.82 2357.44 2360.55 2371.82 2376.00 2386.12 2420.53 2447.28 2471.12 2497.35 2581.22 2599.53 2603.61 2627.93 2705.33 2785.18 2804.62 4627.81 4675.86 4678.80 4701.91 4712.39 4761.44 4775.87 4789.84 4800.45 4802.76 4812.70 4818.90 4837.58 4840.58 4857.46 4893.86 4894.73 4901.45 4927.49 4933.90 5197.45 5526.06 5541.09 5569.53 0.464507 0.488776 0.489721 0.405345 -1275.537332 -1275.513063 -1275.512118 -1275.596493 2.829951D-04 MUNgauss RevisionA2.0 retrievium 31-Jul-2020 DUDE C=CCNC(=O)C[NH+]1CCc2c(cccc2NC(=O)Nc3ccc(cc3)F)C1 C67401512 RHF 6-31G(d) (6D,10F) C1 383.188329 |X|Y|Z| 120.324277 63.745213 24.672038 57.411905 19 6 7 16 3 |36.858105| |14.453438|36.858105| |7.655114|12.682430|36.858105| |5.493830|7.815437|12.978407|53.358707| |4.022628|5.275454|7.729262|19.537071|36.858105| |3.586339|4.605955|6.652333|11.478934|15.809866|73.516695| |3.265585|3.978556|4.977302|10.686838|12.430872|14.404468|36.858105| |2.693210|3.216310|3.893856|7.119704|7.826606|13.088629|12.842184|53.358707| |2.696126|3.231060|4.043373|7.070539|8.121135|16.608932|9.534407|25.561200|0.500000| |2.568113|3.082480|3.530531|6.114658|6.024625|10.543503|7.668148|17.265368|0.260103|36.858105| |2.196327|2.575858|2.917608|4.701209|4.403560|8.453213|5.016055|10.488631|0.205690|12.560564|36.858105| |1.958135|2.242159|2.539435|4.061335|3.716682|6.989630|4.416673|9.098787|0.178034|7.553602|12.578307|36.858105| |1.992776|2.264517|2.596747|4.243335|3.905118|7.082488|4.980290|10.404635|0.192663|6.694709|7.545988|13.717406|36.858105| |1.777368|1.980330|2.245881|3.575282|3.153398|5.698762|3.856444|6.931750|0.135010|4.502983|5.001022|7.869941|13.695545|36.858105| |1.599307|1.769179|1.978292|3.068267|2.647478|4.862952|3.082334|5.325053|0.106870|3.737219|4.420469|6.812352|7.948661|13.837631|36.858105| |1.579751|1.756693|1.950337|2.994344|2.583667|4.825804|2.932159|5.121775|0.104072|3.869638|5.008931|7.898734|6.914661|7.980657|13.743096|36.858105| |1.723445|1.943670|2.164378|3.349848|2.945714|5.573094|3.336819|6.116779|0.124247|4.991217|7.515383|13.617535|7.959130|6.873949|7.917351|13.786989|36.858105| |1.654844|1.864483|2.046383|3.098180|2.672156|5.111191|2.901896|5.065188|0.104468|4.355062|6.562443|7.773244|5.143138|4.545137|5.157596|7.890804|13.407504|53.358707| |1.624691|1.826966|1.966008|2.969876|2.511432|4.702877|2.727507|4.598956|0.091895|4.149626|5.818387|5.971949|4.259948|3.753704|4.096632|5.576174|7.793297|18.709095|36.858105| |1.687948|1.902158|2.031528|3.114286|2.624589|4.797359|2.921537|4.906749|0.094360|4.617059|6.143266|6.079497|4.445861|3.814495|3.980333|5.052956|6.854801|11.462244|15.874515|73.516695| |1.508124|1.682616|1.791055|2.650661|2.199020|4.134924|2.325512|3.777363|0.076647|3.307424|4.304700|4.262525|3.297234|3.011924|3.308393|4.301180|5.275110|11.296320|14.029162|14.948391|53.358707| |1.451477|1.610356|1.685549|2.475069|2.014670|3.739005|2.115704|3.332047|0.066897|2.920608|3.554332|3.400151|2.760682|2.534536|2.719343|3.331638|3.897730|7.099349|7.735011|11.858497|18.232620|36.858105| |1.402981|1.547274|1.606050|2.371528|1.912105|3.485402|2.037208|3.165024|0.062414|2.758730|3.223101|3.143083|2.632267|2.445626|2.611068|3.116047|3.527548|5.902653|6.215201|11.332281|10.576651|13.725568|36.858105| |1.336364|1.463519|1.500264|2.194648|1.742544|3.156233|1.838414|2.789197|0.055008|2.400203|2.697012|2.594733|2.239235|2.092790|2.203188|2.544407|2.818633|4.512624|4.325053|8.008630|6.987560|7.940659|13.776414|36.858105| |1.313879|1.436461|1.465519|2.117362|1.670926|3.047491|1.732024|2.604196|0.051932|2.227138|2.489023|2.352245|2.036911|1.898899|1.987524|2.280285|2.529396|4.069784|3.740234|6.645210|6.217090|6.928994|7.996546|13.816210|36.858105| |1.350730|1.483159|1.521468|2.184392|1.733071|3.202911|1.774292|2.685951|0.054248|2.300805|2.620473|2.444381|2.087597|1.933819|2.027967|2.352596|2.644678|4.382701|3.979680|6.705920|7.021124|7.916912|6.853456|7.913006|13.840768|36.858105| |1.421911|1.573311|1.634971|2.363029|1.903335|3.555350|1.954918|3.022969|0.061432|2.617899|3.103797|2.892376|2.399206|2.204721|2.334802|2.784995|3.208869|5.632008|5.321587|8.359069|10.733815|13.746878|7.939207|6.884850|8.022543|13.757231|36.858105| |1.245579|1.351831|1.366857|1.961528|1.530471|2.775506|1.578809|2.336754|0.046569|1.972041|2.151884|2.036814|1.799461|1.688266|1.754441|1.974490|2.157549|3.371600|2.977629|5.357533|4.716771|4.673730|5.307705|8.168544|14.359344|8.173634|5.314272|97.533100| |2.293766|2.634195|3.084675|5.335418|5.106446|8.628981|7.674529|17.379082|0.256022|7.762348|6.434044|7.514186|12.591096|7.684617|5.070758|4.465082|5.011322|5.200834|3.399571|6.472555|3.746097|2.402847|2.318612|2.027224|1.864706|1.901749|2.139977|3.762628|36.858105| |17.728946|9.110935|5.487263|5.953555|3.390093|5.444850|2.867749|3.290928|0.066684|2.354264|2.034099|1.817145|1.837322|1.647987|1.494810|1.482611|1.614304|2.125195|1.546750|2.863670|1.966850|1.402967|1.362287|1.307205|1.289116|1.320925|1.380037|2.765914|2.088431|0.500000| |17.696005|9.081666|6.943461|6.892735|3.795546|6.071738|3.116633|3.505444|0.072168|2.401924|2.075446|1.880999|1.935333|1.744395|1.568187|1.537383|1.661756|2.159346|1.545990|2.841908|1.953906|1.375828|1.329847|1.264665|1.241674|1.276370|1.345465|2.648977|2.229801|0.289320|0.500000| |9.156169|17.674023|8.659515|9.284324|5.029062|7.913069|3.910522|4.406763|0.089254|3.242126|2.695005|2.299233|2.282595|1.979364|1.777884|1.784030|1.993861|2.630208|1.916500|3.568914|2.406551|1.704541|1.638471|1.554698|1.529708|1.579357|1.670626|3.239889|2.626935|0.218488|0.173417|0.500000| |5.922338|8.880262|17.637372|12.596982|7.492610|13.719223|4.696617|5.360714|0.118086|3.647561|3.089995|2.642583|2.646808|2.274552|2.020914|2.016364|2.259406|2.938725|2.061882|3.746616|2.566795|1.766385|1.663962|1.549374|1.522074|1.595187|1.724114|3.181600|3.069664|0.128449|0.149997|0.208418|0.500000| |7.267065|8.895477|17.586921|12.381679|6.310739|10.060472|4.426153|4.789713|0.102506|3.104631|2.631392|2.358933|2.450490|2.161502|1.905929|1.859695|2.032145|2.600544|1.821995|3.326366|2.267825|1.564799|1.493541|1.396631|1.363963|1.414364|1.517640|2.869941|2.901127|0.143277|0.218168|0.171784|0.302222|0.500000| |5.543501|7.241979|9.010038|26.008406|9.463507|10.830555|7.509188|6.573573|0.126318|4.189060|3.202533|2.824415|2.995041|2.554573|2.186252|2.115550|2.342453|2.935789|2.088495|3.936842|2.536046|1.752488|1.698920|1.579554|1.516710|1.550635|1.666188|3.175251|3.811420|0.125251|0.142245|0.177826|0.180340|0.205081|0.500000| |3.116879|3.647910|4.557620|9.193136|8.874820|11.488502|17.601070|12.349309|0.211285|5.637988|4.172953|3.979093|4.757690|3.902375|3.067861|2.824715|3.097172|3.620981|2.478291|4.677500|2.900249|1.939305|1.878321|1.701388|1.601386|1.634279|1.792343|3.301034|7.528735|0.075885|0.085111|0.096412|0.116461|0.120143|0.191065|0.500000| |3.292623|3.987014|4.616291|9.672450|8.679092|10.719026|17.626827|12.325011|0.184719|7.402724|4.699363|4.086793|4.481705|3.536307|2.882543|2.768427|3.149871|3.786960|2.696250|5.262268|3.133803|2.128997|2.079973|1.890069|1.772203|1.797059|1.962130|3.648299|6.486950|0.081854|0.085618|0.112291|0.117994|0.112033|0.213819|0.300893|0.500000| |2.463955|2.907488|3.214943|5.564887|5.071445|8.314990|6.854394|12.429088|0.182356|17.608616|8.797329|6.624339|6.226695|4.383635|3.644822|3.723622|4.648055|5.515293|4.057677|8.517438|4.387534|2.912968|2.842103|2.483689|2.267265|2.294235|2.574937|4.533371|7.307024|0.063550|0.063899|0.085471|0.089609|0.079170|0.111461|0.147527|0.213851|0.500000| |2.867406|3.548559|4.049229|6.993116|6.848699|12.093964|7.343350|12.357882|0.221053|17.652065|8.836934|5.521678|4.917763|3.619571|3.117096|3.253806|4.086531|5.186635|3.723067|7.227730|4.221276|2.808175|2.632915|2.334278|2.206055|2.297243|2.587515|4.427396|5.650560|0.072779|0.073091|0.106504|0.118585|0.095242|0.128806|0.145296|0.202325|0.299819|0.500000| |2.082870|2.424776|2.664244|4.202356|3.746311|7.026316|4.165042|7.675524|0.147440|9.063220|17.666747|8.892132|5.746498|4.229316|3.956472|4.657122|6.937624|9.652396|7.336416|14.877902|7.046182|4.289977|3.855642|3.154453|2.878603|3.030407|3.649106|5.496911|4.965389|0.054291|0.054296|0.071566|0.078122|0.066549|0.080703|0.097715|0.114358|0.220541|0.209861|0.500000| |2.233308|2.633423|3.027840|4.738552|4.474491|9.279534|4.658427|9.165024|0.209320|8.894510|17.526077|8.894312|6.092276|4.395733|4.004638|4.559452|6.519769|8.480651|5.249073|9.012596|5.664820|3.416946|3.003463|2.544051|2.406041|2.591627|3.090864|4.695286|5.378922|0.057160|0.058726|0.076238|0.091748|0.075869|0.087231|0.108766|0.116829|0.173750|0.220704|0.303131|0.500000| |1.767907|1.951984|2.216210|3.533544|3.069164|5.437474|3.785265|6.371115|0.123368|3.946052|4.082687|5.616089|8.888414|17.704863|8.949669|5.662963|4.951519|4.922770|3.107775|5.663171|3.508637|2.225180|2.170208|1.891462|1.725873|1.748441|1.963823|3.492412|7.177598|0.045460|0.048589|0.053667|0.061571|0.059996|0.070959|0.111553|0.096306|0.108440|0.090584|0.097656|0.102067|0.500000| |1.486457|1.627815|1.808748|2.773664|2.349135|4.291191|2.696211|4.454724|0.089815|3.102871|3.538826|4.922185|5.647172|8.936951|17.739773|8.914116|5.641551|5.698964|3.469513|5.979918|3.985427|2.459865|2.387175|2.043668|1.849757|1.878024|2.135570|3.707157|4.132231|0.038717|0.040696|0.045252|0.051107|0.048832|0.055220|0.075772|0.070517|0.084935|0.073885|0.090125|0.091151|0.215414|0.500000| |1.458398|1.610086|1.770395|2.677182|2.269961|4.243077|2.521377|4.244317|0.086826|3.238188|4.088669|5.633409|4.973879|5.667121|8.917437|17.719321|8.959962|9.916857|5.396320|8.310667|6.065218|3.429335|3.198791|2.602289|2.330839|2.407664|2.857956|4.529779|3.566608|0.038222|0.039464|0.045472|0.050910|0.047053|0.052641|0.067694|0.066747|0.087257|0.078131|0.110271|0.106761|0.124431|0.215049|0.500000| |1.557442|1.742115|1.910107|2.849132|2.431084|4.684576|2.591676|4.404374|0.092616|3.629233|5.080898|5.905947|4.356248|4.084271|4.822426|7.311704|9.330562|26.014195|9.363017|10.911683|10.712053|4.958434|4.036293|3.144047|2.891672|3.164446|4.083812|5.416125|3.329240|0.040874|0.041670|0.049905|0.056150|0.049947|0.055015|0.066944|0.068606|0.093630|0.090661|0.146752|0.142895|0.092500|0.113556|0.214574|0.500000| |1.471615|1.638325|1.751786|2.567223|2.129587|4.054981|2.220158|3.593763|0.074331|3.067296|3.982442|3.981380|3.124253|2.894176|3.213960|4.183084|4.982300|10.728068|9.400739|10.847775|26.063472|9.249171|5.845752|4.315351|4.080751|4.815324|7.320299|7.175934|2.610283|0.039103|0.039050|0.047591|0.051552|0.045488|0.049835|0.056845|0.060329|0.081360|0.080650|0.126611|0.111883|0.069119|0.079837|0.123421|0.245523|0.500000| |1.408378|1.552266|1.617677|2.412815|1.953304|3.533173|2.118249|3.313855|0.064613|2.878605|3.358359|3.387433|2.852106|2.672813|2.876192|3.441576|3.845434|6.220413|6.606039|13.104929|9.665030|8.917261|17.781555|8.940524|5.677782|4.946829|5.651000|9.613954|2.480074|0.037899|0.037174|0.045477|0.046269|0.041879|0.048266|0.054492|0.060277|0.083853|0.074700|0.110980|0.084671|0.065565|0.072894|0.098041|0.115416|0.147873|0.500000| |1.293792|1.409524|1.437861|2.106822|1.661503|2.981522|1.763731|2.648336|0.051862|2.256464|2.480134|2.411521|2.123520|2.001688|2.097854|2.379302|2.589218|4.003733|3.718367|7.100422|5.646543|5.636352|8.881156|17.746150|8.964733|5.651314|4.960657|16.719409|1.941028|0.035262|0.034045|0.041540|0.040967|0.037273|0.042419|0.045594|0.050713|0.065733|0.060794|0.079443|0.064436|0.050716|0.054497|0.067430|0.077309|0.098850|0.213924|0.500000| |1.317596|1.441550|1.471955|2.091978|1.648012|3.053600|1.667909|2.498842|0.050783|2.117044|2.379050|2.209151|1.909014|1.772817|1.849207|2.119328|2.362948|3.849068|3.347117|5.633594|5.682322|5.625441|4.944424|5.647214|8.960558|17.747948|8.862168|16.694133|1.758024|0.035899|0.034586|0.042652|0.042978|0.038070|0.041181|0.042771|0.046816|0.058244|0.059359|0.075090|0.066277|0.044851|0.047829|0.060145|0.078056|0.113184|0.107464|0.124663|0.500000| |1.443547|1.600645|1.672114|2.398115|1.937747|3.667796|1.963371|3.042709|0.062750|2.614415|3.131973|2.891896|2.390221|2.190958|2.317895|2.768467|3.205243|5.693287|5.022215|7.580358|9.872893|8.911785|5.643844|4.957326|5.687090|8.942245|17.706084|9.619337|2.132631|0.038808|0.037985|0.047120|0.049404|0.043146|0.046601|0.049966|0.054173|0.069977|0.072409|0.100457|0.089405|0.054185|0.058830|0.078834|0.118009|0.216269|0.124167|0.107641|0.213952|0.500000| |2.288382|2.596071|3.089436|5.286911|4.974568|8.428364|7.070099|12.431256|0.225317|5.650252|4.928063|5.697473|8.858745|7.170505|4.758675|4.011642|4.237475|4.511483|2.926972|5.437607|3.321075|2.144471|2.067208|1.827444|1.695153|1.732050|1.935104|3.448138|17.621016|0.057464|0.062799|0.070425|0.084679|0.082944|0.104986|0.227317|0.157862|0.146282|0.127082|0.109824|0.124194|0.214698|0.112618|0.091165|0.082936|0.065280|0.061028|0.048760|0.044831|0.053892|0.500000| |2.269476|2.582599|2.941775|5.122610|4.631085|7.420712|7.193190|12.472875|0.181048|6.953272|5.471510|6.108305|8.818064|6.486376|4.541066|4.009546|4.400470|4.719273|3.226993|6.357035|3.576201|2.342323|2.310647|2.036185|1.857249|1.868041|2.077143|3.767737|17.585045|0.057906|0.061047|0.071998|0.079605|0.076662|0.105945|0.199866|0.194970|0.216098|0.145124|0.127332|0.124328|0.178165|0.106215|0.091227|0.083857|0.068291|0.069340|0.054766|0.047855|0.056783|0.301630|0.500000| 1274.344653 -7827.429563 3016.029947 -170.739709 -3707.794671 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