Version2.2 2021-02-05T03:41:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(c(cc1C(F)(F)F)CN2[C@H](CCC2=O)CC[NH2+]Cc3cc4c(cc3Cl)OCO4)F C11788994 RHF 6-31G(d) (6D,7F) c1cc(c(cc1C(F)(F)F)CN2[C@H](CCC2=O)CC[NH2+]Cc3cc4c(cc3Cl)OCO4)F C01[X(C22H22Cl1F4N2O3)] 156 C1 528 O=C1CC[C@@H](N1Cc1cc(ccc1F)C(F)(F)F)CC[NH2+]Cc1cc2OCOc2cc1Cl O=C1CC[C@@H](N1Cc1cc(ccc1F)C(F)(F)F)CC[NH2+]Cc1cc2OCOc2cc1Cl Fc1ccc(cc1CN2[C@@H](CC[NH2+]Cc3cc4OCOc4cc3Cl)CCC2=O)C(F)(F)F InChIKey=DIGDXOGCZTYQIB-MRXNPFEDSA-O InChI=1S/C22H21ClF4N2O3/c23-17-9-20-19(31-12-32-20)8-13(17)10-28-6-5-16-2-4-21(30)29(16)11-14-7-15(22(25,26)27)1-3-18(14)24/h1,3,7-9,16,28H,2,4-6,10-12H2/p+1/t16-/m1/s1 InChI=1/C22H21ClF4N2O3/c23-17-9-20-19(31-12-32-20)8-13(17)10-28-6-5-16-2-4-21(30)29(16)11-14-7-15(22(25,26)27)1-3-18(14)24/h1,3,7-9,16,28H,2,4-6,10-12H2/p+1/t16-/m1/s1/fC22H22ClF4N2O3/h28H/q+1 c1cc(c(cc1C(F)(F)F)CN2[C@H](CCC2=O)CC[NH2+]Cc3cc4c(cc3Cl)OCO4)F C01[X(C22H22Cl1F4N2O3)] 156 C01 528 O=C1CC[C@@H](N1Cc1cc(ccc1F)C(F)(F)F)CC[NH2+]Cc1cc2OCOc2cc1Cl O=C1CC[C@@H](N1C[C]1[CH][C]([CH][CH][C]1F)C(F)(F)F)CC[NH2]C[C]1[CH][C]2[C]([CH][C]1Cl)OCO2 F[C]1[CH][CH][C]([CH][C]1CN2[C@@H](CC[NH2]C[C]3[CH][C]4OCO[C]4[CH][C]3Cl)CCC2=O)C(F)(F)F InChIKey=KHSVAGJWUCMJIE-MRXNPFEDSA-N InChI=1S/C22H22ClF4N2O3/c23-17-9-20-19(31-12-32-20)8-13(17)10-28-6-5-16-2-4-21(30)29(16)11-14-7-15(22(25,26)27)1-3-18(14)24/h1,3,7-9,16H,2,4-6,10-12,28H2/t16-/m1/s1 InChI=1/C22H22ClF4N2O3/c23-17-9-20-19(31-12-32-20)8-13(17)10-28-6-5-16-2-4-21(30)29(16)11-14-7-15(22(25,26)27)1-3-18(14)24/h1,3,7-9,16H,2,4-6,10-12,28H2/t16-/m1/s1 3319.7269067817 -2036.4484497 1-A 26661.5205 122 406 528 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.96509 -26.42446 -26.40194 -26.40157 -26.39519 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0.2992 0.4593 0.0763 0.8472 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 6 6 6 6 6 6 6 9 9 9 6 7 6 1 6 6 6 8 6 6 7 1 1 6 6 6 6 6 6 6 17 8 6 8 9 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 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 15.99491 12.00000 15.99491 18.99840 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 6199.9416 46599.4682 50236.6766 0.99998 0.00631 -0.00076 -0.00632 0.99978 -0.01984 0.00063 0.01984 0.99980 1 0.01397 0.00186 0.00172 0.29109 0.03873 0.03592 8.27 13.49 19.60 23.95 36.42 59.44 69.55 86.81 102.05 105.64 161.38 165.68 179.99 210.46 216.23 224.90 248.81 259.52 280.05 322.04 354.89 369.96 391.23 416.86 461.46 470.75 475.86 527.94 558.47 579.77 595.53 609.68 641.05 652.14 701.92 720.12 742.29 756.96 785.27 809.80 830.87 881.40 909.36 917.16 934.97 968.93 985.07 1044.25 1058.21 1089.63 1093.21 1122.12 1146.02 1166.98 1174.08 1187.68 1218.14 1225.19 1246.54 1282.46 1315.54 1331.24 1367.08 1400.33 1408.65 1426.46 1435.90 1459.83 1467.75 1506.35 1525.22 1545.50 1553.21 1569.23 1590.94 1598.40 1609.42 1624.66 1652.93 1682.52 1705.09 1712.66 1736.04 1764.99 1784.09 1797.61 1808.55 1818.96 1852.32 1867.32 1886.95 1909.07 1912.86 1920.36 1954.47 1963.86 1968.62 1972.95 1976.76 2001.72 2029.98 2049.69 2067.12 2098.88 2107.66 2131.41 2135.24 2144.63 2163.79 2171.16 2204.86 2208.35 2222.00 2243.28 2263.31 2273.93 2282.36 2288.91 2296.16 2328.99 2349.00 2364.18 2368.66 2375.04 2390.55 2411.48 2430.58 2464.14 2595.51 2595.71 2599.40 2625.44 2631.71 2875.20 4597.75 4650.43 4658.82 4670.69 4702.13 4719.25 4732.08 4735.46 4740.45 4741.71 4774.02 4808.31 4823.03 4830.66 4847.58 4883.62 4886.87 4894.53 4915.59 4931.79 5266.78 5361.78 0.456411 0.483565 0.484509 0.390733 -2035.992039 -2035.964884 -2035.963940 -2036.057717 3.145296D-04 MUNgauss RevisionA2.1 retrievium 05-Feb-2021 DUDE c1cc(c(cc1C(F)(F)F)CN2[C@H](CCC2=O)CC[NH2+]Cc3cc4c(cc3Cl)OCO4)F C11788994 RHF 6-31G(d) (6D,10F) C1 473.125508 |X|Y|Z| 151.893643 52.328845 29.178145 61.439283 25 6 7 8 21 2 2 |36.858105| |13.782219|36.858105| |8.041983|13.837174|36.858105| |6.810000|7.838307|13.793926|36.858105| |7.926425|6.865359|8.063894|13.704755|36.858105| |13.730251|7.943813|6.982721|7.892001|13.760060|36.858105| |7.603287|5.044017|4.499950|5.029266|7.617160|12.652082|36.858105| |5.978989|4.327498|3.923647|4.329836|6.017240|8.140137|14.409988|97.533100| |6.917601|4.626642|3.898539|4.035590|5.337425|8.146606|14.414170|20.144471|97.533100| |5.341169|4.052544|3.900697|4.613060|6.902061|8.144329|14.418225|20.146722|20.081297|97.533100| |4.417450|4.990704|7.529398|12.573054|7.519267|5.001374|3.785560|7.705818|7.060270|8.399066|36.858105| |3.746431|4.125967|5.620405|7.647280|5.778298|4.196332|3.362389|6.682442|6.495010|7.806704|13.078570|53.358707| |3.544448|4.038935|5.294863|5.968737|4.630417|3.722003|3.009384|5.916697|6.080238|6.872780|7.411379|17.831115|36.858105| |4.120591|4.946079|6.655900|6.730601|4.987211|4.135159|3.221007|6.242763|6.585400|7.127072|7.047905|12.414840|17.590805|0.500000| |3.167618|3.390763|4.050874|4.580992|4.061026|3.402311|2.900959|5.626749|5.971690|6.892739|5.153459|11.021819|12.339026|0.242720|36.858105| |2.898965|2.995252|3.555114|4.279223|3.996617|3.253615|2.872605|5.667477|5.779866|7.086348|5.130497|11.092159|7.864357|0.160115|12.448170|36.858105| |3.309951|3.421039|4.260035|5.682215|5.181204|3.860179|3.303797|6.568942|6.363140|8.123881|7.784508|18.872428|8.061761|0.167948|7.983432|12.578186|36.858105| |3.179534|3.176602|3.841245|5.202121|5.179425|3.836239|3.415169|6.952615|6.426860|8.652192|6.799580|11.392663|5.440361|0.125993|5.402293|7.842907|15.978031|73.516695| |2.878670|3.312865|4.178913|4.383325|3.492049|2.935722|2.450454|4.974412|5.036280|5.543534|5.518364|10.353000|12.359979|0.246736|7.503450|5.789772|5.625879|7.566986|36.858105| |2.857220|3.387106|4.364790|4.390521|3.378576|2.855442|2.362842|4.907280|4.833583|5.224892|5.637183|8.530014|7.418442|0.187177|4.863955|4.215018|4.558974|6.670364|12.501667|36.858105| |2.364275|2.748169|3.323279|3.274512|2.670179|2.339254|1.994386|4.197712|4.148449|4.416509|3.933259|5.806491|4.909816|0.127546|3.790969|3.382602|3.476674|5.317380|7.658030|12.674100|53.358707| |2.181493|2.478917|2.961131|3.004625|2.509304|2.192176|1.897232|4.002839|3.942928|4.254458|3.657486|5.572238|4.600950|0.114294|3.745203|3.464149|3.487420|5.362614|7.164027|9.205055|25.660850|0.500000| |2.306019|2.684944|3.173229|3.054241|2.524098|2.252562|1.927978|4.034509|4.060433|4.259852|3.510330|5.239310|4.657481|0.125269|3.729355|3.212340|3.190343|4.865005|7.100161|9.180624|25.686493|0.328683|0.500000| |2.219183|2.580634|3.061777|2.964437|2.445508|2.174299|1.867086|4.000147|3.889550|4.089329|3.469318|4.746908|3.732344|0.100795|2.980940|2.750359|2.908430|4.638109|4.923359|7.498118|17.166591|0.256750|0.255858|36.858105| |1.902953|2.171027|2.486547|2.408651|2.054261|1.861823|1.630897|3.509683|3.437757|3.587128|2.734714|3.797128|2.999057|0.081101|2.538238|2.362869|2.429084|3.928644|3.831365|4.939632|10.422034|0.197880|0.200453|12.662275|36.858105| |1.824187|2.085912|2.333933|2.210047|1.903795|1.758232|1.546222|3.331399|3.294937|3.375585|2.423062|3.329207|2.654928|0.073792|2.284174|2.099100|2.141831|3.480597|3.257056|4.005812|7.498355|0.137721|0.161714|7.593003|13.517155|36.858105| |1.616131|1.819237|2.002170|1.911673|1.678528|1.563304|1.393529|3.012986|2.987041|3.055198|2.076754|2.870531|2.273063|0.062859|2.014532|1.872166|1.889433|3.100252|2.726238|3.175713|5.626358|0.110092|0.121569|5.083868|8.024083|13.988868|36.858105| |1.503947|1.671854|1.842005|1.790490|1.586976|1.471740|1.322863|2.866193|2.829399|2.924027|1.965583|2.744182|2.150250|0.058446|1.936283|1.830549|1.836877|3.032603|2.579583|2.935624|5.167856|0.107223|0.108544|4.477201|6.925820|7.935660|13.735542|36.858105| |1.540216|1.706369|1.903212|1.879716|1.661985|1.523660|1.368850|2.964961|2.907026|3.045064|2.105826|2.966604|2.303962|0.061463|2.070647|1.984756|1.994774|3.293745|2.811881|3.212787|5.794151|0.127009|0.116664|4.981359|7.804183|6.733780|7.907086|13.948015|36.858105| |1.724402|1.929884|2.194149|2.174192|1.889243|1.709812|1.518409|3.278652|3.199272|3.374432|2.487901|3.508166|2.725654|0.072076|2.381527|2.275036|2.313907|3.783325|3.442753|4.141892|8.113183|0.181414|0.153806|7.541929|13.763826|7.904329|6.996374|8.119411|13.638076|36.858105| |1.743031|1.926188|2.217250|2.269575|1.981288|1.763134|1.572465|3.398948|3.279119|3.537285|2.684901|3.849673|2.900251|0.074048|2.553166|2.530689|2.590625|4.265999|3.672994|4.301729|7.796317|0.199595|0.135773|6.217687|7.003533|4.729833|4.259754|4.826498|7.076416|10.889885|448.794386| |1.370325|1.510735|1.642622|1.595554|1.431451|1.339434|1.214338|2.637549|2.612415|2.685537|1.729150|2.410593|1.882674|0.051414|1.723948|1.635453|1.632554|2.713699|2.206316|2.445665|4.109113|0.085143|0.086930|3.418330|4.679122|5.424189|8.572864|14.244306|7.822078|5.239165|29.835837|73.516695| |1.370368|1.516141|1.632799|1.565896|1.405871|1.327006|1.202144|2.611884|2.599864|2.642342|1.672388|2.312259|1.813795|0.050238|1.657494|1.557041|1.557500|2.587902|2.097837|2.327890|3.834196|0.077112|0.082383|3.197237|4.199175|5.352801|8.578148|8.580840|5.350502|4.226173|24.822299|23.901990|36.858105| |1.514729|1.696729|1.835650|1.739693|1.544159|1.455900|1.306277|2.829771|2.821850|2.855449|1.855048|2.552171|2.019706|0.056463|1.815285|1.683850|1.692968|2.792679|2.357791|2.674997|4.484296|0.087424|0.097903|3.851768|5.192824|7.801178|14.186307|8.559279|5.407727|4.705660|26.394231|14.912081|13.456332|73.516695| |5.310308|8.168290|14.177413|8.140149|5.307183|4.678614|3.415796|6.952647|6.919810|6.919107|6.760706|7.336995|5.532984|0.197361|3.975330|3.398826|3.942423|6.172759|4.804317|5.499501|5.544543|0.096483|0.107988|3.772110|2.954681|2.775298|2.319059|2.095577|2.155716|2.524988|20.034607|3.279729|1.840368|3.742435|97.533100| |17.753426|8.945839|5.695060|4.921989|5.642215|8.903979|7.037826|13.060822|17.372268|10.994852|3.537293|4.231994|3.004430|0.095589|2.762804|2.539383|2.819242|4.854804|2.512367|2.491952|2.880971|0.054508|0.057855|2.004894|1.747536|1.693327|1.513978|1.409208|1.434192|1.589830|12.815200|2.299599|1.299845|2.545387|9.616725|0.500000| |8.858366|17.750219|8.959882|5.619979|4.951075|5.631857|4.093608|8.200949|8.948426|7.578987|4.091313|4.791451|3.586846|0.121813|3.042990|2.661488|2.949477|4.857439|3.084302|3.204476|3.644212|0.066541|0.073771|2.551723|2.170166|2.123639|1.853032|1.685818|1.701095|1.912003|15.041476|2.717576|1.549027|3.099835|16.769525|0.213355|0.500000| |5.641550|4.949054|5.705107|8.945276|17.730442|8.919523|7.062216|13.211123|10.985984|17.308842|6.997644|7.828880|4.369304|0.122575|4.021486|4.260485|5.772931|11.298991|3.334890|3.174413|3.459761|0.067613|0.066308|2.322982|1.968403|1.809926|1.607677|1.536051|1.620559|1.837339|15.727141|2.467927|1.354605|2.624558|9.604794|0.124099|0.107509|0.500000| |3.990122|4.744357|7.170449|8.931690|5.660873|4.219419|3.265335|6.835369|6.267735|7.083485|17.634448|12.396839|6.632840|0.180405|4.480637|4.316127|5.843746|9.214991|5.771947|6.899526|6.268721|0.115146|0.110489|4.162664|3.136991|2.742785|2.304227|2.160408|2.319024|2.792040|23.990901|3.339033|1.816375|3.618867|17.437594|0.090817|0.113113|0.143377|0.500000| |3.979991|4.219562|5.704782|8.925157|7.093225|4.716170|3.776378|7.944632|6.891723|8.609029|17.666105|12.715386|5.587910|0.142778|4.406408|4.809537|7.656972|14.358292|4.497073|4.594589|4.687302|0.091632|0.085070|3.128321|2.523477|2.230730|1.938352|1.857476|2.002201|2.345740|20.738194|2.921647|1.581683|3.086255|11.383331|0.090613|0.097528|0.211428|0.304256|0.500000| |3.503527|3.663605|4.222302|4.710677|4.377617|3.774201|3.219524|6.066862|6.713023|7.693084|4.791716|9.091622|8.835108|0.227097|17.583886|8.843799|6.668564|8.769666|5.604661|4.077136|4.428815|0.087790|0.090149|2.655651|2.287344|2.100532|1.864882|1.782140|1.881468|2.135520|18.057234|2.848183|1.555259|3.026094|8.898209|0.084990|0.090526|0.118532|0.113629|0.114411|0.500000| |2.763004|2.971540|3.447633|3.712889|3.322059|2.892201|2.518159|4.954661|5.294868|5.933605|4.115175|7.930917|8.656153|0.191184|17.593778|8.657439|5.730012|7.594349|7.310224|4.629527|5.233656|0.107350|0.108600|2.969257|2.587899|2.338940|2.078449|2.005651|2.142753|2.446300|20.884148|3.180111|1.715628|3.331637|7.882630|0.068426|0.076249|0.090968|0.104959|0.099991|0.302639|0.500000| |2.795190|2.799086|3.203700|3.826422|3.803976|3.184282|2.915350|5.712548|5.909875|7.421670|4.290812|8.115954|5.688182|0.129459|8.636866|17.631490|8.896798|12.647841|4.398345|3.411966|3.867763|0.080664|0.075929|2.379578|2.084977|1.878633|1.696042|1.663273|1.791130|2.020412|17.898503|2.670417|1.435114|2.740337|6.729110|0.068959|0.069182|0.115508|0.100476|0.115771|0.220331|0.190297|0.500000| |2.523198|2.628618|3.096304|3.621791|3.348182|2.782011|2.490585|5.028761|5.056945|6.078803|4.441093|8.942146|6.496034|0.133956|8.689047|17.543215|8.942803|11.709702|5.764191|4.210680|4.785919|0.103841|0.092000|2.830280|2.460270|2.155792|1.933419|1.915125|2.104518|2.416178|22.141002|3.033334|1.606970|3.069822|6.875765|0.062196|0.066057|0.098753|0.109653|0.118616|0.173964|0.215712|0.302728|0.500000| |2.560444|2.856717|3.505392|3.800223|3.165449|2.662451|2.281528|4.674188|4.682175|5.252018|4.871275|9.287220|8.819049|0.174184|7.060766|6.300840|5.782954|7.853508|17.527281|8.884899|9.400443|0.210666|0.172122|4.580980|3.721128|3.094750|2.649054|2.579224|2.880953|3.522015|32.045050|3.926392|2.064104|4.052729|8.690290|0.062759|0.073792|0.086788|0.138095|0.118062|0.141816|0.200744|0.130020|0.196540|0.500000| |2.724026|3.137590|3.791544|3.789608|3.113632|2.717180|2.293541|4.641174|4.811268|5.162757|4.372680|7.609632|8.914830|0.218764|6.854133|4.948820|4.499735|6.291610|17.508368|8.878167|9.735462|0.182735|0.217503|4.635967|3.805620|3.346463|2.819298|2.640959|2.825891|3.390261|27.694855|4.036652|2.176337|4.371503|9.867367|0.067140|0.083215|0.081845|0.125852|0.101369|0.150636|0.213333|0.110265|0.136749|0.301914|0.500000| |3.170900|3.929343|5.177906|4.804624|3.574733|3.069438|2.485759|5.151309|5.108317|5.378862|5.706828|7.815975|6.804111|0.200858|4.467699|3.764344|4.124438|6.153809|8.755056|17.631106|12.403276|0.180704|0.220570|6.945876|4.636353|4.011518|3.139997|2.815468|2.978655|3.736629|29.398033|4.212981|2.307988|4.789605|16.548646|0.076325|0.104951|0.090155|0.201250|0.124788|0.109909|0.116546|0.087128|0.100635|0.173052|0.207604|0.500000| |2.836813|3.306061|4.311361|4.577744|3.514067|2.899422|2.408150|5.067820|4.847835|5.349786|6.439641|9.117852|6.545243|0.159257|4.464815|4.205885|4.882023|7.358488|8.785582|17.654825|12.466910|0.221575|0.181011|7.023962|4.636203|3.684010|2.973444|2.805505|3.126963|4.048645|36.060932|4.170017|2.213091|4.456331|11.702836|0.068367|0.085343|0.093437|0.236502|0.150886|0.104707|0.114169|0.094745|0.117915|0.215463|0.173505|0.300863|0.500000| |2.375717|2.822407|3.343420|3.118367|2.541279|2.283451|1.940080|4.158237|4.054713|4.191968|3.531923|4.668054|3.686644|0.103905|2.905957|2.634114|2.812872|4.495011|4.618023|7.019130|12.407686|0.181359|0.219957|17.648894|8.879560|7.342471|4.827117|4.013375|4.160710|5.594029|37.084124|5.646336|3.101267|6.822520|9.657823|0.059604|0.078776|0.065897|0.119519|0.087022|0.073381|0.079545|0.063798|0.073588|0.113690|0.122985|0.214126|0.176917|0.500000| |2.217130|2.551628|3.055199|3.037855|2.509362|2.203277|1.897228|4.100285|3.911955|4.168988|3.663169|4.892116|3.642301|0.096442|2.909524|2.775531|3.017504|4.895989|4.628025|6.970805|12.426500|0.223576|0.181245|17.651777|8.802777|5.744532|4.279533|3.991024|4.606640|6.843263|54.293361|5.554428|2.884912|5.951401|8.281656|0.055402|0.069102|0.066912|0.124467|0.093981|0.071846|0.079002|0.066686|0.079743|0.123897|0.114987|0.172787|0.215166|0.301488|0.500000| |1.935028|2.241370|2.493873|2.309714|1.977240|1.839982|1.607001|3.457658|3.436239|3.477660|2.486353|3.369636|2.705131|0.076935|2.303246|2.087666|2.141951|3.473086|3.255851|4.038283|7.124945|0.124241|0.157361|6.995122|8.772923|17.735172|8.976392|5.644398|4.880900|5.615448|31.268604|7.796870|4.657450|12.270398|6.796186|0.049961|0.064238|0.051647|0.078552|0.062907|0.059475|0.065092|0.051994|0.058715|0.083507|0.093671|0.118419|0.101462|0.223603|0.146936|0.500000| |1.445035|1.585114|1.760556|1.756321|1.569090|1.439043|1.303081|2.828620|2.767760|2.914458|1.969062|2.787378|2.144067|0.056763|1.959243|1.904945|1.905359|3.170740|2.580240|2.868965|4.965864|0.111501|0.099132|4.065208|5.582882|4.883589|5.621749|8.910465|17.773836|8.815694|53.982824|12.213918|4.638853|7.762379|4.420807|0.037465|0.043702|0.042817|0.059556|0.052559|0.049479|0.056397|0.048066|0.056545|0.074749|0.071634|0.073358|0.078689|0.095765|0.108951|0.106370|0.500000| |1.317057|1.452267|1.556503|1.492959|1.346368|1.274974|1.159068|2.531140|2.507612|2.542891|1.587979|2.175208|1.688055|0.046849|1.543151|1.458978|1.469378|2.458754|1.926399|2.142793|3.455666|0.069321|0.073045|2.911418|3.694955|4.567156|6.555728|6.559560|4.567333|3.715654|22.672033|16.537765|17.659112|16.529203|3.927059|0.034802|0.041261|0.036064|0.047895|0.041951|0.040402|0.044062|0.037501|0.041702|0.052630|0.054986|0.059343|0.057271|0.079364|0.074605|0.114336|0.113916|0.500000| 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