Version2.2 2021-02-18T22:21:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 15-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](C(=O)Nc1ccccc1C(C)C)Sc2nnnn2c3ccc(cc3)C(C)C C15109381 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)Nc1ccccc1C(C)C)Sc2nnnn2c3ccc(cc3)C(C)C C01[X(C22H27N5O1S1)] 162 C1 493 O=C([C@H](Sc1nnnn1c1ccc(cc1)C(C)C)C)Nc1ccccc1C(C)C O=C([C@H](Sc1nnnn1c1ccc(cc1)C(C)C)C)Nc1ccccc1C(C)C CC(C)c1ccc(cc1)n2nnnc2S[C@H](C)C(=O)Nc3ccccc3C(C)C InChIKey=WPNKSBMRATUEFX-MRXNPFEDSA-N InChI=1S/C22H27N5OS/c1-14(2)17-10-12-18(13-11-17)27-22(24-25-26-27)29-16(5)21(28)23-20-9-7-6-8-19(20)15(3)4/h6-16H,1-5H3,(H,23,28)/t16-/m1/s1 InChI=1/C22H27N5OS/c1-14(2)17-10-12-18(13-11-17)27-22(24-25-26-27)29-16(5)21(28)23-20-9-7-6-8-19(20)15(3)4/h6-16H,1-5H3,(H,23,28)/t16-/m1/s1/f/h23H C[C@H](C(=O)Nc1ccccc1C(C)C)Sc2nnnn2c3ccc(cc3)C(C)C C01[X(C22H27N5O1S1)] 162 C01 493 O=C([C@H](Sc1nnnn1c1ccc(cc1)C(C)C)C)Nc1ccccc1C(C)C O=C([C@H](S[C]1[N][N][N][N@@]1[C]1[CH][CH][C]([CH][CH]1)C(C)C)C)N[C]1[CH][CH][CH][CH][C]1C(C)C CC(C)[C]1[CH][CH][C]([CH][CH]1)N2[N][N][N][C]2S[C@H](C)C(=O)N[C]3[CH][CH][CH][CH][C]3C(C)C InChIKey=WPNKSBMRATUEFX-MRXNPFEDSA-N InChI=1S/C22H27N5OS/c1-14(2)17-10-12-18(13-11-17)27-22(24-25-26-27)29-16(5)21(28)23-20-9-7-6-8-19(20)15(3)4/h6-16H,1-5H3,(H,23,28)/t16-/m1/s1 InChI=1/C22H27N5OS/c1-14(2)17-10-12-18(13-11-17)27-22(24-25-26-27)29-16(5)21(28)23-20-9-7-6-8-19(20)15(3)4/h6-16H,1-5H3,(H,23,28)/t16-/m1/s1/f/h23H 2769.7517132566 -1593.4092713 1-A 19383.0891 109 384 493 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97877 -20.53971 -15.67565 -15.64984 -15.63713 -15.60724 -15.58941 -11.36710 -11.35010 -11.29721 -11.29104 -11.27918 -11.25637 -11.25519 -11.25465 -11.24650 -11.24604 -11.24514 -11.24392 -11.24292 -11.23474 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0.8358 0.8439 0.5094 0.2206 0.4880 0.8571 0.8564 0.8334 0.8533 0.8536 0.8558 0.8511 0.8488 0.3383 0.8157 0.7834 0.7748 0.3402 0.5007 0.8445 0.5708 0.8551 0.5938 0.4390 0.0365 0.7313 0.2971 0.1344 0.0429 0.1834 0.5540 0.8279 0.8546 0.8523 0.7386 0.8570 0.7874 0.8289 0.8184 0.7970 0.6550 0.6561 0.8497 0.5778 0.7572 0.6937 0.2384 0.2948 0.3068 0.2891 0.2192 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 6 6 1 6 8 7 6 6 6 6 6 6 6 6 6 16 6 7 7 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 7086.0539 29853.3389 31765.2231 0.99984 0.01636 0.00730 -0.01619 0.99961 -0.02274 -0.00767 0.02262 0.99971 1 0.01222 0.00290 0.00273 0.25469 0.06045 0.05681 7.68 20.51 25.70 33.22 49.00 54.48 65.84 81.93 84.58 116.48 130.49 163.54 184.40 196.99 259.22 298.33 304.95 319.57 345.39 360.77 369.25 381.38 397.59 403.06 408.03 421.10 427.79 440.72 463.16 515.95 538.51 564.31 608.38 627.85 663.31 665.26 731.22 743.74 753.93 789.83 798.22 803.78 862.91 885.67 926.41 934.87 960.01 1004.77 1086.72 1131.93 1138.20 1151.09 1165.25 1181.96 1198.81 1207.01 1222.98 1233.59 1335.71 1362.20 1373.58 1387.89 1388.90 1415.02 1459.71 1459.82 1473.88 1501.50 1504.47 1550.84 1567.15 1570.12 1586.77 1594.53 1606.15 1628.88 1638.04 1653.06 1679.17 1687.60 1699.98 1718.21 1728.19 1739.57 1750.63 1762.20 1762.99 1769.93 1800.08 1827.73 1844.37 1853.54 1881.33 1891.81 1904.68 1915.05 1935.48 1982.06 2032.56 2060.73 2065.25 2087.24 2128.39 2130.58 2166.61 2167.40 2183.38 2237.50 2238.71 2243.02 2260.76 2265.70 2276.59 2283.70 2324.08 2330.97 2345.46 2347.72 2353.19 2356.47 2357.44 2361.65 2371.04 2371.79 2377.83 2380.24 2389.97 2402.89 2453.71 2458.71 2559.50 2567.39 2609.57 2619.70 2822.53 4598.98 4606.90 4612.68 4617.54 4617.74 4626.97 4647.71 4683.04 4693.77 4696.23 4706.10 4709.77 4710.86 4714.26 4722.07 4730.91 4763.58 4786.70 4837.02 4847.48 4857.16 4862.54 4880.97 4887.21 4891.46 4914.90 5598.62 0.497059 0.524347 0.525291 0.432883 -1592.912212 -1592.884925 -1592.883981 -1592.976389 3.099380D-04 MUNgauss RevisionA2.1 retrievium 18-Feb-2021 DUDE C[C@H](C(=O)Nc1ccccc1C(C)C)Sc2nnnn2c3ccc(cc3)C(C)C C15109381 RHF 6-31G(d) (6D,10F) C1 409.193632 |X|Y|Z| 51.111721 40.530721 122.995663 63.396441 21 6 7 16 15 5 1 |36.858105| |12.441578|36.858105| |8.847817|17.652629|0.500000| |7.610775|12.490724|0.244246|36.858105| |6.148386|8.019878|0.163810|15.908568|73.516695| |5.743899|7.869495|0.209700|14.057628|14.970786|53.358707| |4.156841|5.021888|0.134360|7.707014|11.798488|18.208463|36.858105| |3.859629|4.264023|0.108940|6.251656|11.237680|10.691839|13.716145|36.858105| |3.022239|3.264993|0.085524|4.340975|7.989861|7.017478|7.929336|13.801269|36.858105| |2.647912|2.918958|0.078975|3.729611|6.631219|6.189003|6.886146|7.971646|13.759333|36.858105| |2.740814|3.133521|0.087275|3.984868|6.750135|7.017650|7.991442|6.919856|7.960362|13.785262|36.858105| |3.312028|3.979804|0.112623|5.294852|8.373168|10.620174|13.641517|7.859883|6.792100|7.854746|13.675279|36.858105| |3.164346|3.921157|0.118330|4.730263|7.188880|8.916687|7.464009|4.972625|4.398964|4.983597|7.498817|12.484580|36.858105| |2.590210|3.140046|0.092922|3.652517|5.917733|6.079803|5.049123|3.884893|3.713949|4.402028|6.368817|7.450919|12.418457|36.858105| |2.995113|3.529107|0.110360|3.941190|5.920756|7.233333|5.598639|4.129186|3.741675|4.184218|5.736398|7.539252|12.389920|7.547210|36.858105| |6.794564|10.386525|0.222013|7.085104|11.568234|6.793252|3.783780|3.350947|2.729039|2.495337|2.660940|3.230860|3.270262|2.833910|2.882210|388.023441| |5.589213|6.992673|0.198726|4.734622|7.435379|5.307285|3.056759|2.699414|2.272359|2.131201|2.295256|2.741893|2.902170|2.558353|2.695377|77.281649|36.858105| |5.619225|6.497655|0.213577|4.357544|6.572554|5.209974|2.986165|2.614845|2.208456|2.085880|2.261122|2.706374|2.911346|2.527818|2.817356|49.390013|14.700968|53.358707| |4.103150|4.464900|0.140102|3.347748|5.260905|4.138137|2.489258|2.214126|1.917734|1.833682|1.981488|2.316903|2.511901|2.250835|2.466758|35.407305|9.051927|19.349312|53.358707| |3.617878|3.979869|0.118068|3.106109|5.051824|3.777940|2.318569|2.085334|1.822457|1.744479|1.874632|2.168008|2.334400|2.139286|2.245864|35.176084|8.846169|12.129021|20.806625|53.358707| |4.091773|4.721964|0.133218|3.625658|5.985165|4.221319|2.557974|2.300113|1.987810|1.885264|2.020110|2.354607|2.503318|2.285833|2.337858|49.488764|14.244483|12.151499|12.448520|19.352569|53.358707| |3.391861|3.857644|0.104548|3.206899|5.556145|3.735350|2.340305|2.140965|1.878349|1.785406|1.896568|2.172203|2.283319|2.139399|2.100597|41.223050|7.564129|7.332800|7.545418|10.745953|18.186579|36.858105| |2.801492|3.208341|0.089165|2.794246|4.850873|3.366945|2.160368|1.969392|1.755540|1.694646|1.811934|2.054910|2.193353|2.109392|2.017484|31.476079|5.370197|5.847838|6.276149|8.584203|10.701461|13.788162|36.858105| |2.426286|2.722230|0.074384|2.463116|4.386066|2.986948|1.963047|1.818094|1.643008|1.588764|1.682883|1.876909|1.978308|1.933622|1.812477|25.805559|3.990321|4.503187|4.728774|5.984632|7.029024|7.979796|13.762429|36.858105| |2.405197|2.639057|0.070287|2.415230|4.403821|2.889442|1.911650|1.801250|1.630933|1.561627|1.632155|1.806386|1.865157|1.813605|1.703611|25.111285|3.665045|4.110398|4.200377|5.146921|6.156276|6.837449|7.872803|13.703918|36.858105| |2.759582|2.979552|0.077458|2.676299|4.926351|3.121886|2.038014|1.933874|1.731067|1.634573|1.696420|1.888825|1.924272|1.836465|1.757075|29.474577|4.208531|4.564158|4.548829|5.553651|7.013324|7.971815|6.887460|7.987034|13.679729|36.858105| |3.355022|3.651672|0.094495|3.113981|5.608191|3.559100|2.258547|2.116896|1.862354|1.748561|1.826401|2.067516|2.116798|1.981401|1.939075|38.902497|5.936075|5.980545|5.872556|7.441265|10.645243|13.761817|7.932953|6.895796|7.877753|13.780399|36.858105| |2.049485|2.216942|0.059084|2.084652|3.840660|2.533294|1.711302|1.631742|1.499661|1.442253|1.496469|1.630651|1.672301|1.647254|1.530647|20.042579|2.843739|3.312846|3.375192|3.972396|4.522223|4.421950|4.997183|7.531923|12.516639|7.489066|4.987877|36.858105| |1.899279|2.001662|0.053393|1.871628|3.437315|2.286365|1.548290|1.489302|1.374205|1.317880|1.358404|1.471468|1.500845|1.470306|1.391075|17.586162|2.535905|3.024479|3.119845|3.640268|4.008255|3.744551|4.005418|5.313959|7.524185|6.070717|4.310538|12.411247|36.858105| |2.020332|2.191216|0.057627|2.116754|3.984901|2.564383|1.754915|1.690527|1.562649|1.498848|1.543370|1.669224|1.690080|1.673527|1.529136|19.652946|2.641116|3.072087|3.043948|3.476999|4.008802|3.746603|4.008521|5.311144|7.524866|6.071935|4.306981|12.411559|7.519416|36.858105| |17.616286|8.824423|0.214012|5.527086|8.328466|6.140060|3.429397|3.179552|2.587965|2.319556|2.413198|2.866884|2.824150|2.364027|2.733071|44.958700|6.223243|9.158021|6.588296|5.620802|6.178707|3.614608|2.930568|2.503049|2.469398|2.851028|3.541072|2.085002|1.951503|2.019297|0.500000| |17.538913|8.834363|0.211974|6.935784|9.761444|8.222638|4.428604|4.150912|3.222275|2.801149|2.885071|3.482736|3.269595|2.621862|3.188540|36.018336|4.421849|6.376223|4.889511|4.265287|4.637116|2.873491|2.450854|2.149175|2.121135|2.385913|2.820973|1.838693|1.714119|1.818602|0.301459|0.500000| |17.600325|8.810761|0.173509|6.968061|11.694815|6.896474|3.920686|3.850279|3.037795|2.608201|2.632378|3.102520|2.884938|2.414227|2.684147|45.233602|4.869626|6.232447|4.832674|4.459749|5.138462|3.287835|2.706908|2.395686|2.431971|2.837658|3.403266|2.088619|1.943949|2.086066|0.299557|0.300343|0.500000| |5.669036|7.646479|0.243306|9.455394|10.874771|26.099315|9.184332|5.955525|4.343875|4.038066|4.720503|7.025163|6.922029|4.523474|6.249541|33.689307|4.013624|5.643431|4.448586|3.953322|4.310545|2.734089|2.475351|2.169321|2.071320|2.223003|2.552643|1.809580|1.639803|1.808104|0.129080|0.171586|0.130656|0.500000| |4.367260|4.577365|0.111727|6.727142|12.940733|9.880314|8.946895|17.768482|8.928898|5.660557|4.980394|5.624453|4.070139|3.269529|3.519166|25.201716|2.800412|3.666890|3.083332|2.906638|3.227413|2.205995|1.999255|1.846248|1.848583|2.012738|2.214119|1.670189|1.532363|1.732063|0.097305|0.131080|0.126048|0.153459|0.500000| |2.797531|2.925568|0.075907|3.751715|7.112501|5.694279|5.644893|8.944023|17.722219|8.895917|5.650459|4.910290|3.524219|3.087906|3.106526|17.767509|2.093974|2.764011|2.421698|2.313829|2.518718|1.762687|1.646083|1.553159|1.555217|1.655041|1.767418|1.440810|1.328982|1.508051|0.067145|0.082648|0.079752|0.100129|0.215347|0.500000| |2.312116|2.507827|0.068066|3.089981|5.553047|4.925096|4.958820|5.657049|8.903356|17.716542|8.935208|5.614700|4.077364|3.846848|3.578891|15.617587|1.905084|2.541027|2.263550|2.164736|2.325098|1.630621|1.558639|1.473327|1.451616|1.511489|1.602295|1.352827|1.241304|1.409278|0.057114|0.067641|0.063657|0.091637|0.124219|0.213842|0.500000| |2.421131|2.753654|0.077860|3.348536|5.672592|5.673683|5.666398|4.978020|5.671739|8.989694|17.737419|8.918103|6.977707|7.066507|5.680798|17.074584|2.120623|2.857365|2.542074|2.413225|2.576582|1.785891|1.727492|1.611416|1.554522|1.599503|1.710477|1.433727|1.302123|1.475701|0.060337|0.070321|0.064414|0.110644|0.108017|0.124524|0.217429|0.500000| |3.592180|4.744748|0.147487|5.656881|8.194716|10.497176|7.243196|4.761062|3.990660|4.212751|5.653175|8.986550|17.570220|9.025064|8.915248|27.980668|3.452838|4.676866|3.944810|3.650997|3.967593|2.621157|2.501256|2.218509|2.073447|2.146256|2.394502|1.831707|1.630858|1.840857|0.088778|0.100578|0.089367|0.233637|0.113268|0.090821|0.096962|0.142558|0.500000| |2.327785|2.730737|0.080112|3.148698|5.186615|5.195575|4.454125|3.624678|3.646573|4.545777|6.624514|6.542345|8.704861|17.561782|6.892503|17.501669|2.245656|3.042690|2.742261|2.607839|2.759108|1.907504|1.883955|1.744015|1.646285|1.665093|1.782632|1.510760|1.359514|1.537744|0.059322|0.066197|0.060750|0.107280|0.084516|0.085069|0.114612|0.238950|0.174322|0.500000| |2.487203|3.019660|0.091244|3.350921|5.386635|5.384599|4.152811|3.274848|3.093813|3.527716|4.702765|5.473192|8.828471|17.549509|6.851269|19.832030|2.600063|3.524993|3.183245|3.027519|3.199056|2.193661|2.193587|1.999250|1.848680|1.852769|2.000407|1.674518|1.491106|1.684774|0.064164|0.069331|0.063891|0.114894|0.079219|0.073403|0.087774|0.142143|0.221172|0.302905|0.500000| |2.556844|3.120390|0.089826|3.707482|6.230957|5.910433|4.970078|3.942940|3.803390|4.466623|6.159099|6.887823|8.754743|17.567285|5.480032|20.710808|2.563871|3.365481|2.996828|2.893450|3.140247|2.197904|2.175715|2.015139|1.899883|1.918409|2.051413|1.732674|1.534053|1.780470|0.064530|0.070785|0.067276|0.116271|0.092489|0.088288|0.108894|0.182643|0.212374|0.301232|0.301292|0.500000| |3.375636|3.905714|0.124393|4.288166|6.236145|8.152780|5.908669|4.360815|3.800185|4.029715|5.156420|6.882006|8.701746|5.470044|17.532661|21.511185|2.841573|4.126083|3.556124|3.180662|3.296578|2.142597|2.026116|1.808172|1.707451|1.780055|1.984241|1.526218|1.395266|1.518924|0.085010|0.102954|0.082362|0.213211|0.105358|0.088172|0.094956|0.133351|0.211345|0.139727|0.140598|0.122193|0.500000| |2.807771|3.312221|0.105836|3.520099|5.324574|6.052862|4.405404|3.398582|3.103326|3.416025|4.441011|5.485488|8.758366|6.933362|17.542793|19.875145|2.706951|3.900518|3.476328|3.155569|3.235969|2.127314|2.067782|1.847626|1.716204|1.754151|1.936225|1.539269|1.397640|1.524913|0.072846|0.081703|0.069567|0.145825|0.083165|0.073597|0.083726|0.126219|0.213995|0.173625|0.206530|0.140632|0.301362|0.500000| |2.637399|3.003453|0.091270|3.370050|5.245878|5.973402|4.938306|3.907430|3.752612|4.402115|6.069536|6.787175|8.763491|6.805137|17.549280|17.807464|2.342607|3.314654|2.949927|2.710828|2.810334|1.880038|1.814577|1.650608|1.561623|1.606289|1.753835|1.417988|1.295566|1.422672|0.067160|0.078439|0.066870|0.135453|0.091787|0.087177|0.107430|0.180343|0.173727|0.203373|0.166099|0.139981|0.302622|0.301101|0.500000| |2.701531|3.126536|0.089669|2.724014|4.635475|3.358765|2.156054|1.941673|1.735511|1.692178|1.828506|2.080172|2.265109|2.192045|2.101373|29.156171|5.167750|5.976225|6.662068|9.007334|9.848504|8.941645|17.740437|8.890296|5.613677|4.961329|5.649732|4.078013|3.381363|3.383767|0.078569|0.066593|0.071163|0.069632|0.054207|0.044960|0.043243|0.048755|0.072007|0.054235|0.064294|0.062263|0.058334|0.060664|0.052284|0.500000| |2.168839|2.429138|0.067130|2.235553|3.970667|2.762677|1.839848|1.703241|1.554710|1.517352|1.611534|1.783219|1.892500|1.877956|1.739808|22.076203|3.382947|3.965084|4.195962|5.146703|5.704956|5.675450|8.968054|17.716234|8.913946|5.662742|4.963817|7.001627|5.010538|5.005445|0.061829|0.054166|0.059262|0.055939|0.047675|0.040839|0.039296|0.043216|0.058496|0.047267|0.054332|0.054390|0.047848|0.049566|0.044235|0.215603|0.500000| |2.640050|2.779416|0.071333|2.540829|4.759832|2.961815|1.954435|1.883848|1.695240|1.590885|1.633170|1.801948|1.810466|1.726752|1.655166|26.507448|3.629942|4.043720|3.979996|4.677552|5.696275|5.676478|4.960488|5.659043|8.885091|17.727410|8.992016|6.921822|6.306435|6.300915|0.075262|0.063765|0.077020|0.058139|0.054881|0.045413|0.041021|0.042692|0.055530|0.043795|0.048007|0.050191|0.046674|0.045595|0.042320|0.107683|0.124114|0.500000| |3.810072|3.974814|0.099865|3.316900|6.010279|3.715477|2.335588|2.212356|1.929717|1.789091|1.853105|2.100979|2.119769|1.954451|1.950277|42.165337|6.153584|6.227001|5.876643|7.020558|9.757159|8.918525|5.646979|4.965420|5.618912|8.914100|17.736044|4.070794|3.720642|3.711605|0.113264|0.087007|0.110023|0.073641|0.065256|0.051090|0.045412|0.047839|0.066385|0.049004|0.054294|0.055967|0.056044|0.053617|0.049045|0.124319|0.107736|0.216841|0.500000| |1.915203|2.085778|0.056299|1.970589|3.598763|2.427526|1.648715|1.563569|1.444787|1.401521|1.461921|1.588620|1.644093|1.636366|1.508421|18.520265|2.663469|3.152531|3.244774|3.804815|4.229740|4.024155|4.844578|7.473484|9.021151|5.607460|4.205398|17.537917|8.950791|8.949671|0.054072|0.048136|0.053680|0.048431|0.044108|0.038462|0.036618|0.039159|0.049909|0.041747|0.046543|0.047788|0.041545|0.042394|0.038875|0.115048|0.231471|0.139995|0.096453|0.500000| |1.725135|1.813444|0.048481|1.716739|3.160487|2.115958|1.447291|1.398405|1.300630|1.251626|1.286452|1.382887|1.407590|1.388192|1.306336|15.602626|2.226385|2.691826|2.766745|3.171408|3.446717|3.108991|3.337286|4.278805|5.488952|4.586899|3.482416|8.791519|17.546273|6.884666|0.048965|0.043640|0.049087|0.042120|0.039860|0.035054|0.032909|0.034379|0.042195|0.035841|0.039076|0.040287|0.036285|0.036446|0.033972|0.080968|0.117982|0.134093|0.085908|0.215728|0.500000| |1.874198|1.967405|0.052989|1.818094|3.299016|2.233054|1.505468|1.441379|1.328355|1.277009|1.321090|1.434268|1.472451|1.439631|1.375822|17.151873|2.552466|3.081442|3.245440|3.830520|4.110785|3.814434|4.149854|5.416418|6.899694|5.583382|4.233711|8.753922|17.560979|5.470370|0.054043|0.047075|0.052816|0.044840|0.041133|0.035615|0.033402|0.035245|0.044479|0.036999|0.040756|0.041449|0.038410|0.038583|0.035558|0.098445|0.144104|0.151440|0.101161|0.213283|0.301138|0.500000| |1.976534|2.055991|0.054284|1.918086|3.546819|2.323870|1.570295|1.521015|1.399694|1.332590|1.365605|1.479438|1.496180|1.454161|1.387160|18.086351|2.576706|3.061473|3.127525|3.623013|4.026987|3.724316|3.752620|4.668268|6.717622|6.493146|4.540136|8.735407|17.548816|6.792976|0.056495|0.049345|0.056801|0.046117|0.043795|0.037743|0.034831|0.036193|0.045125|0.037382|0.040721|0.042111|0.038842|0.038513|0.035902|0.087488|0.116894|0.213414|0.112658|0.173701|0.301916|0.301625|0.500000| 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