Version2.3 2021-04-01T02:36:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)Oc1ccccc1C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC3CCCCC3 C14664589 RHF 6-31G(d) (6D,7F) CC(C)Oc1ccccc1C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC3CCCCC3 C01[X(C23H31N3O5S1)] 183 C1 546 O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1OC(C)C)OC1CCCCC1 O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1OC(C)C)OC1CCCCC1 CC(C)Oc1ccccc1C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC3CCCCC3 InChIKey=SRKNXVYQDNPJQG-SFHVURJKSA-N InChI=1S/C23H31N3O5S/c1-15(2)30-19-11-7-6-10-17(19)21(28)25-23(32)26-13-12-24-22(29)18(26)14-20(27)31-16-8-4-3-5-9-16/h6-7,10-11,15-16,18H,3-5,8-9,12-14H2,1-2H3,(H,24,29)(H,25,28,32)/t18-/m0/s1 InChI=1/C23H31N3O5S/c1-15(2)30-19-11-7-6-10-17(19)21(28)25-23(32)26-13-12-24-22(29)18(26)14-20(27)31-16-8-4-3-5-9-16/h6-7,10-11,15-16,18H,3-5,8-9,12-14H2,1-2H3,(H,24,29)(H,25,28,32)/t18-/m0/s1/f/h24-25H CC(C)Oc1ccccc1C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC3CCCCC3 C01[X(C23H31N3O5S1)] 183 C01 546 O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1OC(C)C)OC1CCCCC1 O=C(C[C@H]1[C](=O)[NH]CC[N]1[C](=S)NC(=O)[C]1[CH][CH][CH][CH][C]1OC(C)C)OC1CCCCC1 CC(C)O[C]1[CH][CH][CH][CH][C]1C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC3CCCCC3 InChIKey=SRKNXVYQDNPJQG-SFHVURJKSA-N InChI=1S/C23H31N3O5S/c1-15(2)30-19-11-7-6-10-17(19)21(28)25-23(32)26-13-12-24-22(29)18(26)14-20(27)31-16-8-4-3-5-9-16/h6-7,10-11,15-16,18H,3-5,8-9,12-14H2,1-2H3,(H,24,29)(H,25,28,32)/t18-/m0/s1 InChI=1/C23H31N3O5S/c1-15(2)30-19-11-7-6-10-17(19)21(28)25-23(32)26-13-12-24-22(29)18(26)14-20(27)31-16-8-4-3-5-9-16/h6-7,10-11,15-16,18H,3-5,8-9,12-14H2,1-2H3,(H,24,29)(H,25,28,32)/t18-/m0/s1/f/h24-25H 3646.1805189580 -1824.2595421 1-A 15948.6056 123 423 546 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0.4469 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 57 58 59 60 61 62 63 6 6 6 8 6 6 6 6 6 6 6 8 7 6 16 7 6 6 7 6 8 6 1 6 6 8 8 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 1 1 1 1 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 31.97207 14.00307 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 15.99491 15.99491 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 1.00783 1.00783 1.00783 1.00783 13367.1659 17583.3390 25491.1543 0.99966 -0.02535 0.00536 0.02534 0.99968 0.00204 -0.00541 -0.00190 0.99998 1 0.00648 0.00493 0.00340 0.13501 0.10264 0.07080 11.43 30.54 34.80 42.07 49.01 55.92 61.07 91.65 102.19 110.47 115.26 119.06 129.52 157.75 194.70 213.04 259.28 276.42 283.56 299.56 329.82 334.13 351.34 352.94 388.23 410.35 420.72 426.28 520.26 523.49 538.16 549.47 565.42 594.60 630.86 659.50 665.25 683.75 685.92 709.65 721.26 738.56 756.55 789.43 820.24 842.60 864.16 882.91 889.73 931.94 950.19 961.57 980.20 1027.09 1078.05 1093.75 1124.84 1152.41 1166.78 1221.90 1242.66 1248.52 1249.98 1263.89 1313.11 1345.30 1348.49 1374.38 1391.72 1402.81 1407.82 1430.76 1456.71 1464.12 1473.78 1483.81 1495.49 1529.03 1553.02 1556.66 1583.17 1596.55 1598.02 1613.77 1645.32 1651.07 1657.84 1688.36 1702.47 1721.22 1735.07 1740.05 1753.57 1764.84 1783.10 1807.50 1829.07 1854.65 1857.14 1894.08 1907.31 1915.41 1921.74 1932.90 1970.08 1978.82 1996.18 2001.86 2009.28 2015.86 2026.63 2054.65 2082.00 2088.86 2114.56 2121.45 2129.44 2135.80 2166.08 2167.37 2194.57 2197.52 2198.25 2219.36 2220.87 2228.77 2236.32 2254.06 2269.07 2272.75 2280.58 2322.21 2329.47 2340.60 2347.87 2352.74 2353.89 2359.04 2363.15 2366.36 2367.77 2383.27 2386.97 2391.27 2395.79 2411.47 2432.04 2556.92 2598.03 2814.43 2823.93 2843.09 4588.77 4589.44 4595.85 4611.62 4620.06 4621.99 4631.46 4656.21 4662.33 4666.54 4669.03 4672.99 4674.10 4678.82 4689.64 4691.36 4717.19 4723.39 4726.31 4734.77 4744.54 4746.70 4755.28 4841.44 4853.93 4865.36 4874.20 4918.16 4921.90 5476.57 5541.83 0.568587 0.597984 0.598928 0.503373 -1823.690955 -1823.661558 -1823.660614 -1823.756170 3.204964D-04 MUNgauss RevisionA2.1 retrievium 01-Apr-2021 DUDE CC(C)Oc1ccccc1C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC3CCCCC3 C14664589 RHF 6-31G(d) (6D,10F) C1 461.198443 |X|Y|Z| 77.220892 91.257214 40.713370 65.954793 24 6 7 8 20 3 1 |36.858105| |12.531244|36.858105| |7.538342|12.507037|36.858105| |8.107627|13.387457|7.878958|73.516695| |5.326139|7.826398|5.853627|25.207472|36.858105| |4.431716|6.556794|5.573835|14.077639|13.693257|36.858105| |3.380146|4.449796|4.012470|9.266201|7.914846|13.768715|36.858105| |3.025853|3.743952|3.341080|8.184051|6.814410|7.916519|13.774745|36.858105| |3.274464|3.949769|3.403850|9.373499|7.922802|6.910554|8.010735|13.794738|36.858105| |4.197030|5.191909|4.199709|14.439702|13.587633|7.896782|6.854303|7.863565|13.691756|36.858105| |4.037475|4.447641|3.640778|11.672155|7.360683|4.967800|4.454402|5.085170|7.791287|12.671924|36.858105| |3.317708|3.528785|2.970671|8.364349|5.266031|4.023230|3.868993|4.636006|6.952536|8.119394|15.943006|73.516695| |4.571280|4.757624|3.961860|12.387595|6.296063|4.332246|3.707612|3.927302|5.219223|7.722812|13.839409|15.077095|53.358707| |4.051237|3.854883|3.297678|8.770232|4.383794|3.322589|2.934384|3.100507|3.908304|5.050419|7.800527|12.084143|18.552064|36.858105| |3.827904|3.449953|2.874145|7.325599|3.721783|2.944253|2.642847|2.786879|3.419473|4.189579|5.899982|10.472178|9.701472|11.475335|388.023441| |3.494928|3.338118|3.040838|7.214783|3.627911|2.883418|2.581592|2.706161|3.290710|4.026342|5.480334|8.872323|11.244424|14.111625|50.862157|53.358707| |2.952211|2.747730|2.538310|5.620306|2.865446|2.375443|2.165717|2.264464|2.674914|3.121584|4.004636|6.934388|7.056884|7.801526|44.646321|17.791191|36.858105| |2.463746|2.360280|2.194972|4.834181|2.574643|2.177976|2.041167|2.179679|2.575440|2.884317|3.679132|6.789612|5.911422|5.863315|36.410413|10.737343|12.553676|36.858105| |2.335729|2.307050|2.192929|4.765780|2.588097|2.208286|2.091171|2.249458|2.652421|2.921344|3.645403|6.663272|5.750908|5.109334|29.101598|9.484233|7.872292|13.101301|53.358707| |2.523377|2.549942|2.461190|5.362727|2.915004|2.464476|2.317005|2.485080|2.946063|3.289028|4.065224|7.089870|6.607096|5.425218|28.049747|10.441326|6.768685|7.616426|19.273443|36.858105| |2.300648|2.374441|2.341169|4.944941|2.748487|2.381844|2.275665|2.447413|2.847249|3.080797|3.613197|6.303414|5.557994|4.214575|22.881104|7.242451|4.760472|5.293699|11.575695|15.858043|73.516695| |3.146261|3.165691|3.032343|6.846560|3.558441|2.889715|2.619279|2.752894|3.309032|3.939872|5.001694|7.999604|9.395223|7.685658|33.702755|17.725868|7.842529|6.483156|10.502094|12.430126|14.350430|36.858105| |3.296732|3.469012|3.315926|7.855506|4.209711|3.343399|3.026206|3.215994|3.960450|4.806488|6.108750|9.275230|11.383444|7.444692|32.269094|12.486887|5.726319|5.086863|8.151561|9.110516|13.259269|17.729007|0.500000| |3.096963|3.087667|3.119103|6.321895|3.189316|2.677534|2.400019|2.442149|2.809443|3.302529|3.827731|6.047746|6.837688|5.293641|26.639360|10.340425|6.072482|4.862863|7.551736|7.686531|11.509813|12.422712|0.247529|36.858105| |3.800554|3.766514|3.948298|7.506357|3.562735|2.973600|2.570792|2.529406|2.861784|3.465707|3.831350|5.793869|6.962067|5.019707|25.989049|8.409743|4.859634|3.788759|5.411713|4.938508|7.846848|7.454942|0.190352|12.630907|36.858105| |4.799608|4.904101|5.103984|10.144811|4.505264|3.610908|3.002183|2.902436|3.309629|4.202903|4.539306|6.503634|8.570106|5.554420|28.132360|8.210352|4.451668|3.509276|4.898168|4.385441|6.998323|6.632768|0.193197|7.938830|15.959732|73.516695| |3.401012|3.298660|3.587326|6.169002|2.963839|2.576648|2.251418|2.190491|2.412749|2.834509|3.044101|4.739543|5.194054|3.838493|21.677100|6.222634|4.043468|3.247556|4.585370|3.967551|6.541133|5.171017|0.131167|8.191764|14.485481|15.256942|73.516695| |3.650458|3.506200|4.030570|6.152108|2.903591|2.586203|2.229872|2.117304|2.280669|2.670525|2.762445|4.284721|4.561646|3.280174|19.444875|4.941759|3.251362|2.671764|3.693166|3.093010|5.187120|3.868051|0.103269|5.160194|7.991896|12.448006|23.589957|36.858105| |3.067649|2.860024|3.184672|4.942836|2.387120|2.163866|1.901940|1.817451|1.943277|2.228376|2.320655|3.694856|3.740944|2.786076|17.296771|4.203723|2.941063|2.450810|3.335773|2.693769|4.524747|3.194596|0.083332|4.109451|5.328763|8.260129|14.272296|12.516529|36.858105| |2.948396|2.750444|3.134061|4.574621|2.222955|2.064201|1.815333|1.711444|1.798476|2.040905|2.077153|3.319388|3.257299|2.385785|15.240734|3.470230|2.426285|2.069842|2.803888|2.237332|3.800681|2.599712|0.069544|3.146387|3.931314|6.612141|9.047506|7.580461|12.431451|36.858105| |2.749604|2.687479|3.191362|4.455231|2.204552|2.090895|1.847663|1.726445|1.788594|2.007024|1.998808|3.189081|3.077909|2.197318|13.917110|3.167502|2.177586|1.899170|2.621665|2.118185|3.674692|2.433990|0.066618|2.920766|3.607758|6.193501|7.994601|6.469270|7.522301|12.438283|36.858105| |3.144080|3.200890|4.040295|5.283512|2.593848|2.465479|2.145124|1.978913|2.043425|2.314692|2.263964|3.550485|3.494520|2.420565|14.982167|3.456669|2.299145|2.000260|2.790756|2.302178|4.014193|2.702251|0.075765|3.245026|4.192587|7.501203|8.965214|7.575467|6.448648|7.536944|12.439761|36.858105| |3.289516|3.376253|4.147941|5.873425|2.864813|2.639704|2.291383|2.147499|2.263136|2.599074|2.590043|4.021434|4.113101|2.841955|16.922819|4.180006|2.723018|2.337878|3.313960|2.809211|4.898046|3.390782|0.094708|4.336963|6.040343|10.226247|13.959865|12.499300|7.550667|6.449374|7.522637|12.428208|36.858105| |17.550389|8.849855|6.848750|10.247124|4.267991|3.834408|3.017315|2.678935|2.818480|3.443998|3.289079|4.975769|4.942316|3.327453|22.930248|4.041908|2.597166|2.196648|2.839494|2.233760|3.659743|2.715135|0.078047|2.731340|3.324723|7.134115|5.527684|3.454710|3.003219|3.003229|2.802310|3.153972|3.153669|0.500000| |17.588130|8.844659|5.496574|13.082239|5.226749|4.264845|3.344022|3.068115|3.379796|4.337309|4.301791|6.379762|6.449231|4.299585|30.956172|4.827980|3.023832|2.536907|3.213622|2.505274|4.021404|3.083846|0.089275|2.930953|3.438697|7.479123|5.421220|3.157824|2.726756|2.597241|2.408656|2.689779|2.834268|0.300210|0.500000| |17.572208|8.856569|6.876706|13.007359|4.834630|3.928207|3.081134|2.831324|3.123196|4.018770|4.082340|5.942290|6.780045|4.563725|29.410418|5.501653|3.376214|2.722427|3.495924|2.793901|4.468979|3.592321|0.102459|3.623718|4.660674|10.751963|7.342283|4.442106|3.631728|3.380050|3.059922|3.498391|3.779552|0.300169|0.301266|0.500000| |8.919863|17.581994|8.832129|16.556069|7.417152|7.260659|4.865603|3.919195|3.955359|4.934709|4.057291|5.918154|5.525592|3.353478|22.245379|3.942450|2.439584|2.143467|2.849761|2.284665|3.815922|2.748880|0.083476|2.650760|3.112409|6.857571|4.940793|2.939970|2.478879|2.425284|2.393402|2.798949|2.881356|0.212893|0.214972|0.174236|0.500000| |5.479570|8.762307|17.581707|12.493945|6.123938|6.514845|4.624166|3.689375|3.620454|4.323991|3.570919|5.211531|5.081004|3.056051|18.812075|3.861469|2.368821|2.092971|2.892930|2.404102|4.139875|2.907222|0.090078|2.965156|3.633747|8.125141|5.851013|3.604921|2.875906|2.826993|2.965001|3.783287|3.900082|0.139944|0.122958|0.140648|0.210447|0.500000| |6.845891|8.843739|17.545631|10.094745|4.534479|4.530643|3.457542|2.897829|2.902717|3.446102|3.058257|4.579133|4.483464|2.860068|18.332055|3.631456|2.294497|1.994634|2.694242|2.188547|3.711607|2.638080|0.078363|2.745642|3.422863|7.445154|5.780496|3.777969|3.113443|3.203448|3.288406|4.094359|3.909197|0.203798|0.140217|0.169047|0.211514|0.301286|0.500000| |6.909064|8.882545|17.586915|12.731871|5.230210|4.674845|3.546018|3.089162|3.237538|4.023656|3.671078|5.307864|5.737570|3.549981|21.263393|4.595100|2.788220|2.368820|3.239897|2.709703|4.565306|3.424789|0.103261|3.661337|4.949788|11.938394|7.974814|5.202970|3.835697|3.675014|3.721585|4.925388|5.329696|0.169844|0.141326|0.206877|0.173722|0.301838|0.299840|0.500000| |4.651139|7.255077|6.627550|12.647989|8.887549|17.783296|8.971845|5.655423|4.976853|5.621994|4.033886|5.948344|5.091765|2.985026|19.081414|3.597856|2.214465|2.015078|2.769329|2.259848|3.891225|2.646865|0.083279|2.527959|2.867858|6.174112|4.522835|2.626189|2.203685|2.141699|2.191080|2.605089|2.717789|0.116029|0.119442|0.111543|0.243532|0.230140|0.152554|0.142171|0.500000| |3.008502|3.868901|3.645463|7.485192|5.646566|8.968853|17.710955|8.915675|5.672622|4.941894|3.559406|5.669753|4.185483|2.521831|16.405629|3.078022|1.934226|1.832494|2.557389|2.067314|3.640364|2.302971|0.072686|2.149132|2.301745|4.699573|3.655914|2.060306|1.778113|1.718383|1.765337|2.041386|2.142897|0.076836|0.082064|0.076117|0.119722|0.118177|0.090412|0.088996|0.218046|0.500000| |2.589704|3.101480|2.836519|6.497655|4.922866|5.632516|8.893130|17.734842|8.916381|5.613968|4.158364|7.144363|4.501126|2.718022|17.676562|3.289862|2.065176|2.021622|2.853725|2.292667|4.061905|2.471871|0.079035|2.204951|2.250266|4.489521|3.512612|1.908191|1.659610|1.568843|1.587424|1.802302|1.943323|0.064886|0.073090|0.067834|0.090299|0.086570|0.069955|0.073588|0.124326|0.213878|0.500000| |2.881849|3.316581|2.905710|7.597786|5.661175|4.975637|5.674094|8.921098|17.764947|9.008097|7.431708|14.207236|6.709391|3.880906|24.481474|4.482476|2.714344|2.691906|3.797096|3.057177|5.266076|3.311027|0.109090|2.745271|2.706111|5.411123|4.068636|2.133087|1.839645|1.693055|1.675577|1.890571|2.101160|0.069662|0.083459|0.077692|0.091407|0.084501|0.070122|0.078325|0.107998|0.124328|0.214267|0.500000| |5.355523|5.760105|4.858395|15.869993|7.018720|4.713411|3.835342|3.865107|4.870958|7.292389|9.235788|10.830162|25.921578|9.325031|40.381665|9.864398|4.720465|3.849829|5.201219|4.512505|6.953210|6.692723|0.227650|5.457114|6.199304|15.540936|7.878140|3.932249|3.093055|2.678587|2.539313|2.950949|3.535091|0.114834|0.144754|0.168545|0.128096|0.124533|0.107917|0.149168|0.115471|0.088605|0.089529|0.121850|0.500000| |2.827426|2.625019|2.492522|5.237308|2.647231|2.231730|2.029923|2.094749|2.425053|2.806881|3.435816|5.836663|5.968230|5.851223|34.113431|12.507044|17.590697|8.876811|9.525246|6.399854|8.366953|7.319767|0.145564|6.923183|5.340687|8.077991|8.258136|3.594763|3.315920|2.654883|2.348554|2.446507|2.935037|0.070168|0.078655|0.090984|0.064457|0.064474|0.063113|0.077202|0.058567|0.050825|0.053266|0.067645|0.117718|0.500000| |3.046965|2.749350|2.491820|5.525823|2.787765|2.317019|2.104484|2.187245|2.568680|3.002749|3.825248|6.677827|6.581715|7.402346|52.972692|12.437667|17.730908|8.850377|7.717989|4.939330|6.702194|5.684631|0.127797|4.750104|4.208768|7.142478|6.447959|3.054019|2.818194|2.369246|2.103662|2.199779|2.545357|0.074752|0.088627|0.096500|0.068266|0.063895|0.063230|0.075106|0.060337|0.052353|0.055420|0.072100|0.122005|0.302018|0.500000| |2.225801|2.116166|1.986317|4.234817|2.254996|1.943052|1.829749|1.940116|2.248691|2.481547|3.052793|5.628309|4.778830|4.510182|30.190819|7.728922|8.878678|17.576024|12.508455|5.811422|7.944427|4.947825|0.111676|4.150214|3.323802|5.413725|5.289160|2.481214|2.339789|1.985873|1.813284|1.880013|2.172128|0.055994|0.063548|0.068036|0.053793|0.052602|0.050778|0.059373|0.050447|0.046115|0.050425|0.065088|0.088904|0.217583|0.208176|0.500000| |2.457149|2.361638|2.156667|4.881290|2.641900|2.227747|2.105712|2.279587|2.727773|3.028163|3.962154|7.690807|6.095170|6.094652|41.341923|9.474869|8.892088|17.581832|12.342385|6.177312|8.195346|5.511234|0.130950|4.076288|3.357086|5.759508|5.105743|2.432216|2.224293|1.915566|1.770065|1.872704|2.158170|0.060636|0.071540|0.074131|0.060234|0.057308|0.054406|0.063671|0.056745|0.052301|0.058874|0.080570|0.106037|0.174306|0.217466|0.300980|0.500000| |2.088576|2.077225|1.987095|4.244866|2.341230|2.034552|1.954841|2.114071|2.462215|2.641279|3.207522|5.976150|4.836863|4.106810|24.716714|6.974411|5.704096|8.972439|26.001737|9.643545|14.031458|5.684748|0.133933|4.492261|3.363104|5.459739|5.225675|2.418548|2.215325|1.887310|1.780234|1.884533|2.210965|0.052352|0.058669|0.062999|0.052969|0.053952|0.050188|0.059401|0.052178|0.049183|0.055456|0.072692|0.090062|0.147486|0.125650|0.220243|0.204866|0.500000| |2.836448|2.748745|2.765730|5.458810|2.755231|2.353030|2.126662|2.161587|2.458868|2.841555|3.287241|5.348656|5.695311|4.687502|25.324358|9.218909|6.535447|5.128680|7.671120|6.884917|10.168345|8.710393|0.173324|17.600954|9.003642|10.697511|13.869610|4.941837|4.272747|3.194425|2.883487|3.073958|3.997475|0.070770|0.075263|0.092146|0.066401|0.072470|0.069266|0.089038|0.062319|0.053468|0.054795|0.067307|0.122371|0.241307|0.140757|0.127315|0.114244|0.127487|0.500000| |2.764685|2.834600|2.936132|5.755672|2.997642|2.582096|2.352605|2.399247|2.719024|3.105744|3.473043|5.559523|5.824197|4.275199|22.521507|7.597862|4.707222|4.171495|6.889869|7.274633|12.999306|8.926313|0.216498|17.566268|9.058712|11.409460|12.613626|4.749129|3.827770|2.993072|2.878446|3.225550|4.353822|0.068700|0.072367|0.087547|0.068575|0.079556|0.072113|0.094943|0.067833|0.058996|0.060750|0.074062|0.128293|0.144997|0.105945|0.101598|0.099292|0.120480|0.305525|0.500000| |4.553526|4.211977|4.845079|7.160851|3.234460|2.840258|2.393826|2.248103|2.428949|2.903326|2.989982|4.564497|4.999674|3.556906|21.233101|5.161135|3.326213|2.685859|3.631339|3.009527|4.959656|3.850908|0.104316|4.799373|7.578312|14.012774|16.550337|17.621950|8.866004|6.795953|5.662770|6.793137|8.861272|0.119035|0.105554|0.162389|0.095153|0.113997|0.125768|0.181315|0.080757|0.061048|0.055711|0.062422|0.122641|0.099492|0.088748|0.068705|0.068897|0.065666|0.125124|0.118197|0.500000| |3.109934|2.805346|3.006281|4.876024|2.342237|2.100187|1.848531|1.779620|1.919304|2.209356|2.343409|3.755859|3.813458|2.928287|18.478739|4.451724|3.206161|2.614636|3.474120|2.748284|4.520450|3.262951|0.083208|4.126875|5.171513|7.985062|12.943737|8.883432|17.551028|8.782333|5.478625|4.838561|5.510184|0.084350|0.078075|0.103643|0.067684|0.074670|0.081533|0.098776|0.058999|0.047820|0.045154|0.050762|0.086424|0.102097|0.086721|0.069901|0.065536|0.063678|0.123958|0.102831|0.215934|0.500000| |2.653824|2.528346|2.799335|4.450389|2.199875|2.008356|1.791507|1.726415|1.842861|2.084631|2.176057|3.503845|3.470181|2.593954|16.066426|3.979513|2.828749|2.410171|3.338225|2.699559|4.609134|3.107640|0.080518|4.072616|4.917309|7.333162|13.219558|8.923545|17.526228|8.817779|6.772086|5.678602|6.841163|0.071786|0.066627|0.085348|0.061713|0.072027|0.075560|0.091937|0.056449|0.046694|0.044117|0.048848|0.078520|0.089714|0.074190|0.064521|0.060270|0.062167|0.120545|0.109407|0.174559|0.302824|0.500000| |3.331921|3.019936|3.434935|4.883582|2.334046|2.164726|1.883069|1.761571|1.849265|2.114766|2.142846|3.406702|3.359877|2.453825|15.883679|3.495458|2.427862|2.054399|2.746003|2.178165|3.664987|2.557638|0.068865|3.011419|3.805859|6.687633|8.269637|6.819456|8.841434|17.499525|8.848037|6.775746|5.654599|0.096605|0.080364|0.106642|0.073686|0.083799|0.099875|0.111239|0.062917|0.049469|0.044651|0.048079|0.077089|0.072726|0.066858|0.054529|0.053307|0.051171|0.083975|0.078207|0.199860|0.214120|0.173366|0.500000| |2.588677|2.403510|2.674895|4.023291|1.982723|1.850991|1.647144|1.562679|1.639267|1.841125|1.883124|3.047054|2.923781|2.169332|14.098260|3.160643|2.260026|1.950101|2.629619|2.067925|3.519263|2.351811|0.062454|2.806392|3.344577|5.573856|7.492047|5.520065|8.842376|17.550006|8.804635|5.489295|4.840751|0.073640|0.064633|0.081139|0.059840|0.067796|0.076239|0.084713|0.053157|0.043506|0.040070|0.043172|0.065659|0.068940|0.061705|0.052621|0.050136|0.049544|0.080748|0.074521|0.139684|0.211524|0.214059|0.303762|0.500000| |2.603124|2.542720|3.014657|4.146665|2.067641|1.989209|1.765137|1.640103|1.683195|1.874019|1.850294|2.967325|2.808362|2.000989|12.885295|2.842987|1.964016|1.728747|2.373715|1.899442|3.299311|2.159592|0.059455|2.520383|3.040090|5.336876|6.423960|4.853731|5.485909|8.817842|17.541790|8.816341|5.485354|0.075218|0.063574|0.078736|0.063960|0.078139|0.088751|0.094525|0.058443|0.047254|0.042057|0.043761|0.063835|0.058225|0.053199|0.046015|0.045140|0.045036|0.069097|0.068956|0.126893|0.122992|0.139048|0.215095|0.211233|0.500000| |2.427372|2.396986|2.797733|4.061034|2.044200|1.943137|1.740613|1.641390|1.700591|1.888828|1.890175|3.041760|2.896078|2.078821|13.135433|3.033686|2.106311|1.860338|2.595233|2.097907|3.681408|2.366946|0.064474|2.866883|3.420717|5.704381|7.651159|5.666539|6.770965|8.850858|17.502871|8.851890|6.771588|0.067900|0.060043|0.074556|0.059810|0.073734|0.078748|0.089538|0.056053|0.046297|0.042198|0.044576|0.065675|0.063554|0.056056|0.049627|0.047929|0.049284|0.079455|0.080164|0.131065|0.139032|0.199074|0.173750|0.214779|0.303344|0.500000| |3.639899|3.694580|4.873944|5.837734|2.805795|2.676768|2.285794|2.077402|2.136366|2.444284|2.362348|3.672701|3.637616|2.493827|15.577376|3.481025|2.294482|1.983020|2.733120|2.241188|3.866153|2.660581|0.075250|3.102383|4.055094|7.671572|8.203817|6.815874|5.653907|6.774736|8.846983|17.499931|8.840949|0.103669|0.084166|0.111811|0.088941|0.122114|0.143262|0.166520|0.079994|0.060405|0.052175|0.054362|0.086128|0.066904|0.061714|0.051549|0.052052|0.051098|0.080985|0.083818|0.199770|0.126624|0.131288|0.199012|0.139127|0.215021|0.173745|0.500000| |2.821357|2.958168|3.758407|4.912912|2.477079|2.407689|2.121995|1.949439|1.985703|2.213423|2.133895|3.366021|3.228362|2.214275|13.754458|3.143378|2.091502|1.853636|2.611356|2.156874|3.819602|2.484155|0.070538|2.927632|3.625036|6.521891|7.413226|5.517113|4.840403|5.489136|8.804801|17.550168|8.841236|0.078664|0.067841|0.084801|0.073346|0.102193|0.106154|0.122172|0.071043|0.056724|0.049641|0.051017|0.074985|0.061322|0.055431|0.048460|0.048471|0.049435|0.076558|0.082799|0.139635|0.106649|0.127179|0.139138|0.123093|0.211158|0.214803|0.303771|0.500000| |2.798072|2.876283|3.411772|5.116827|2.569957|2.385081|2.117391|2.011789|2.118314|2.389061|2.400681|3.787341|3.770410|2.639925|15.754814|3.958306|2.627621|2.299250|3.315324|2.819164|5.018582|3.292832|0.090990|4.300800|5.479423|8.655423|12.970387|8.929195|6.855785|5.688880|6.782986|8.820015|17.518254|0.074481|0.068692|0.087869|0.069650|0.091629|0.089525|0.115815|0.067467|0.055285|0.051118|0.055292|0.087872|0.079600|0.067468|0.059829|0.058505|0.062032|0.112342|0.126132|0.174608|0.140740|0.203653|0.131453|0.127383|0.139172|0.199476|0.173373|0.213940|0.500000| 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