Version2.3 2021-04-02T01:11:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](C)CN1C(=O)[C@H]([NH2+]C12CCN(CC2)C(=O)Nc3ccc(cc3)C(F)(F)F)C(C)C C36024265 RHF 6-31G(d) (6D,7F) CC[C@H](C)CN1C(=O)[C@H]([NH2+]C12CCN(CC2)C(=O)Nc3ccc(cc3)C(F)(F)F)C(C)C C01[X(C23H34F3N4O2)] 192 C1 548 CC[C@@H](CN1C(=O)[C@H]([NH2+]C21CCN(CC2)C(=O)Nc1ccc(cc1)C(F)(F)F)C(C)C)C CC[C@@H](CN1C(=O)[C@H]([NH2+]C21CCN(CC2)C(=O)Nc1ccc(cc1)C(F)(F)F)C(C)C)C CC[C@H](C)CN1C(=O)[C@H]([NH2+]C12CCN(CC2)C(=O)Nc3ccc(cc3)C(F)(F)F)C(C)C InChIKey=GJBVWOGPROZSLR-QFBILLFUSA-O InChI=1S/C23H33F3N4O2/c1-5-16(4)14-30-20(31)19(15(2)3)28-22(30)10-12-29(13-11-22)21(32)27-18-8-6-17(7-9-18)23(24,25)26/h6-9,15-16,19,28H,5,10-14H2,1-4H3,(H,27,32)/p+1/t16-,19+/m0/s1 InChI=1/C23H33F3N4O2/c1-5-16(4)14-30-20(31)19(15(2)3)28-22(30)10-12-29(13-11-22)21(32)27-18-8-6-17(7-9-18)23(24,25)26/h6-9,15-16,19,28H,5,10-14H2,1-4H3,(H,27,32)/p+1/t16-,19+/m0/s1/fC23H34F3N4O2/h27-28H/q+1 CC[C@H](C)CN1C(=O)[C@H]([NH2+]C12CCN(CC2)C(=O)Nc3ccc(cc3)C(F)(F)F)C(C)C C01[X(C23H34F3N4O2)] 192 C01 548 CC[C@@H](CN1C(=O)[C@H]([NH2+]C21CCN(CC2)C(=O)Nc1ccc(cc1)C(F)(F)F)C(C)C)C CC[C@@H](CN1C(=O)[C@H]([NH2][C@@]21CCN(CC2)C(=O)N[C]1[CH][CH][C]([CH][CH]1)C(F)(F)F)C(C)C)C CC[C@H](C)CN1C(=O)[C@H]([NH2]C12CCN(CC2)C(=O)N[C]3[CH][CH][C]([CH][CH]3)C(F)(F)F)C(C)C InChIKey=MNFJOLJPSCUHJN-QFBILLFUSA-N InChI=1S/C23H34F3N4O2/c1-5-16(4)14-30-20(31)19(15(2)3)28-22(30)10-12-29(13-11-22)21(32)27-18-8-6-17(7-9-18)23(24,25)26/h6-9,15-16,19H,5,10-14,28H2,1-4H3,(H,27,32)/t16-,19+/m0/s1 InChI=1/C23H34F3N4O2/c1-5-16(4)14-30-20(31)19(15(2)3)28-22(30)10-12-29(13-11-22)21(32)27-18-8-6-17(7-9-18)23(24,25)26/h6-9,15-16,19H,5,10-14,28H2,1-4H3,(H,27,32)/t16-,19+/m0/s1/f/h27H 3374.4924240440 -1556.4610646 1-A 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12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 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 7045.4199 39892.7580 44148.5947 0.99999 -0.00121 0.00417 0.00123 0.99998 -0.00627 -0.00416 0.00628 0.99997 1 0.01229 0.00217 0.00196 0.25616 0.04524 0.04088 12.09 18.37 28.92 41.24 57.17 69.01 72.02 76.82 92.27 99.74 123.94 133.48 150.03 167.73 201.35 223.95 252.88 292.48 322.74 325.99 336.15 349.08 354.52 361.63 383.61 387.45 399.25 430.46 464.08 478.76 510.28 517.00 543.55 585.18 611.63 634.60 646.46 647.40 652.97 662.13 669.72 676.21 701.36 736.70 759.44 780.87 812.35 835.04 859.60 891.78 906.87 950.50 954.30 973.89 1001.36 1026.49 1034.01 1066.53 1177.72 1195.72 1201.98 1209.87 1225.63 1249.39 1252.36 1277.67 1302.13 1327.03 1346.37 1380.76 1392.90 1397.91 1401.42 1432.87 1465.39 1471.61 1489.07 1509.46 1523.63 1524.75 1538.63 1548.54 1571.98 1577.29 1599.51 1604.49 1607.40 1616.50 1625.89 1662.17 1667.13 1708.30 1740.87 1744.55 1761.51 1799.96 1800.54 1820.54 1840.33 1840.67 1852.50 1884.02 1896.20 1896.47 1909.24 1932.11 1943.42 1949.01 1982.37 2016.11 2023.07 2025.90 2036.36 2061.76 2079.75 2084.54 2099.30 2111.97 2131.37 2136.83 2147.17 2169.58 2178.01 2189.43 2190.40 2197.70 2213.29 2220.01 2230.11 2243.74 2256.73 2257.57 2262.50 2264.67 2265.99 2271.44 2288.55 2331.63 2340.07 2342.85 2353.83 2360.69 2361.71 2361.94 2363.87 2366.55 2376.46 2378.64 2385.27 2387.16 2391.13 2445.21 2477.08 2588.95 2614.78 2631.45 2795.32 2894.66 4575.89 4585.94 4589.17 4595.31 4609.63 4617.38 4629.34 4635.76 4639.46 4659.72 4696.17 4704.53 4706.45 4707.98 4712.51 4714.37 4726.79 4729.90 4732.45 4733.29 4738.71 4753.27 4765.49 4782.49 4793.65 4804.91 4822.88 4828.88 4893.86 4898.46 4991.48 5287.51 5393.55 5577.63 0.607824 0.637848 0.638793 0.541902 -1555.853241 -1555.823216 -1555.822272 -1555.919162 3.249707D-04 MUNgauss RevisionA2.1 retrievium 02-Apr-2021 DUDE CC[C@H](C)CN1C(=O)[C@H]([NH2+]C12CCN(CC2)C(=O)Nc3ccc(cc3)C(F)(F)F)C(C)C C36024265 RHF 6-31G(d) (6D,10F) C1 455.263386 |X|Y|Z| 58.161275 30.903146 142.124597 63.450535 18 6 7 14 4 |36.858105| |12.456628|36.858105| |7.376333|12.372585|36.858105| |6.912136|8.918546|17.511050|0.500000| |6.061494|7.464489|12.447230|0.247593|36.858105| |4.903586|7.668115|12.392406|0.246100|7.489610|36.858105| |3.723830|4.948794|7.462988|0.187101|6.255747|12.920881|53.358707| |3.182101|4.040672|5.505398|0.134385|5.536096|7.775251|19.033861|36.858105| |3.162225|4.011855|5.128876|0.119095|5.527517|6.753133|11.358828|16.037176|73.516695| |2.618412|3.135364|4.050495|0.107237|4.123165|5.077262|11.037126|12.496453|14.093919|36.858105| |2.385125|2.850483|3.516444|0.093068|3.463855|4.486870|8.880191|8.935536|11.903302|17.601168|0.500000| |2.713958|3.208351|4.238583|0.120527|4.087125|5.145515|11.474877|8.190163|9.748961|12.679137|0.253300|53.358707| |2.410336|2.791627|3.520610|0.101331|3.371162|4.172879|8.228060|5.941571|7.824045|9.030561|0.229799|25.721608|0.500000| |2.780151|3.204329|4.301717|0.125768|4.346015|4.793131|9.822209|6.919242|8.873603|9.214771|0.182435|25.677680|0.326795|0.500000| |3.188091|3.948467|5.397987|0.156801|4.573984|7.313058|17.822358|8.096000|9.693405|7.793208|0.185830|16.991570|0.249661|0.254491|36.858105| |3.367831|3.960301|5.345423|0.179441|4.418476|5.935448|10.228513|5.229937|7.157041|5.104456|0.123947|10.512927|0.185195|0.213931|12.424123|36.858105| |3.515541|4.105373|5.007122|0.171156|3.846434|5.443623|7.669276|4.076720|5.982453|3.812105|0.098509|6.748841|0.128172|0.132489|7.420345|12.415173|36.858105| |2.926083|3.423229|3.925404|0.122100|3.136349|4.579577|6.570494|3.723164|5.536352|3.600117|0.098420|6.165223|0.124626|0.114096|6.459655|7.684418|13.111360|53.358707| |2.864976|3.499276|4.019237|0.116564|3.214323|5.229103|7.692393|4.372286|6.432948|4.140474|0.118126|6.725592|0.134178|0.116444|7.388966|6.529525|7.902935|17.837098|36.858105| |2.754962|3.376664|4.135658|0.117126|3.486364|5.627604|10.264394|5.938980|8.006887|6.057384|0.177114|10.468933|0.207560|0.159474|12.329967|7.499417|6.550392|10.490237|12.376078|36.858105| |2.458225|2.763072|3.120734|0.096478|2.637367|3.491551|5.159570|3.131876|4.725630|3.202216|0.088758|5.507891|0.118629|0.103913|5.031348|6.013924|7.904663|18.506461|7.721806|5.953790|36.858105| |2.372011|2.605072|2.983079|0.093838|2.592608|3.215413|4.844049|2.989938|4.507228|3.134957|0.085139|5.541197|0.121503|0.108854|4.735691|6.130029|7.125837|11.415439|5.565593|5.028157|15.878366|73.516695| |2.179006|2.437213|2.663652|0.079859|2.283253|3.000416|4.345865|2.744189|4.245431|2.810844|0.080223|4.572515|0.099491|0.085448|3.988974|4.308262|5.278622|11.248547|6.584803|4.995120|14.036930|14.916931|53.358707| |1.884012|2.066682|2.236937|0.066525|1.972441|2.469696|3.589136|2.347847|3.690179|2.452877|0.070454|3.908143|0.086533|0.074156|3.202243|3.415481|3.896105|7.051145|4.509201|3.842961|7.632331|11.555754|18.333371|36.858105| |1.731516|1.896099|2.013456|0.058889|1.785664|2.227819|3.185946|2.122426|3.396355|2.197932|0.063904|3.379062|0.074025|0.063959|2.740850|2.822140|3.180543|5.572452|3.860106|3.302554|5.165109|7.891486|10.879063|13.685919|36.858105| |1.543400|1.669657|1.765096|0.051427|1.591949|1.926908|2.757122|1.869977|3.023801|1.951622|0.056696|2.960583|0.065017|0.056681|2.333076|2.397846|2.626250|4.347636|3.038465|2.724366|3.898216|6.399657|7.077802|7.918178|13.815302|36.858105| |1.481554|1.588196|1.691499|0.049583|1.542834|1.824023|2.634206|1.795582|2.897959|1.896880|0.054668|2.901426|0.064250|0.056233|2.239765|2.337085|2.509559|4.022877|2.751248|2.545699|3.671985|6.413976|6.185934|6.852730|7.953065|13.742207|36.858105| |1.573715|1.684519|1.817564|0.053885|1.658351|1.949909|2.848708|1.925865|3.073947|2.053298|0.058599|3.215531|0.071912|0.062773|2.471216|2.641893|2.819766|4.487993|2.961011|2.770645|4.313236|7.974439|6.971900|7.960366|6.916462|7.970591|13.776023|36.858105| |1.775617|1.918744|2.093471|0.062709|1.881960|2.264175|3.330587|2.205562|3.468226|2.346651|0.066659|3.775483|0.084750|0.073181|2.973823|3.248883|3.546625|5.878532|3.702995|3.384956|6.271910|11.673641|10.474837|13.721290|7.925294|6.854313|7.899838|13.750416|36.858105| |1.327344|1.411495|1.494257|0.043547|1.379510|1.597945|2.299038|1.588450|2.591146|1.679197|0.048361|2.526984|0.055684|0.049353|1.919576|1.987824|2.100152|3.264165|2.268602|2.141278|2.855215|5.063781|4.554361|4.448800|5.050240|7.606934|12.677059|7.602071|5.029964|36.858105| |1.273103|1.358692|1.444247|0.041817|1.343760|1.552882|2.253094|1.575906|2.576339|1.683115|0.048859|2.509166|0.055678|0.048827|1.876322|1.910796|1.979780|3.060533|2.174374|2.098692|2.634748|4.673113|4.134877|3.885915|4.346264|6.013798|8.137848|5.959525|4.311297|14.375084|97.533100| |1.289804|1.359369|1.440079|0.042170|1.337486|1.521847|2.187925|1.511887|2.468725|1.599227|0.045622|2.415529|0.053092|0.047725|1.822125|1.912861|2.010059|3.054633|2.090998|1.989681|2.666896|4.869599|4.092993|3.858107|4.047205|5.325823|8.139285|6.895941|4.610906|14.413705|20.149414|97.533100| |1.275644|1.352971|1.416564|0.041100|1.305508|1.511734|2.148678|1.485761|2.442887|1.552574|0.044721|2.310212|0.050341|0.045112|1.769178|1.823527|1.945008|3.015562|2.114215|1.972051|2.571996|4.478169|4.115076|3.857564|4.614953|6.878722|8.144231|5.343705|4.041960|14.407338|20.154080|20.074892|97.533100| |2.351615|2.704793|3.387703|0.090289|3.706527|3.853654|7.152904|7.265930|11.037480|12.375754|0.244840|10.232894|0.179371|0.204980|5.018726|3.942306|3.050489|3.886139|3.124031|4.118565|2.638151|4.721696|3.200245|2.117079|1.914842|1.737189|1.712446|1.852079|2.072634|1.541605|3.499225|3.336355|3.208091|36.858105| |2.136809|2.448635|2.930532|0.076311|3.209537|3.338740|5.703576|5.815813|10.499347|7.567517|0.199408|6.721736|0.125679|0.129906|3.847123|3.087756|2.543699|3.324971|2.717165|3.436341|2.265089|3.991741|2.828540|1.894618|1.750974|1.603204|1.571283|1.672299|1.842262|1.429931|3.267432|3.083628|3.000158|12.419917|36.858105| |2.536729|2.850820|3.632888|0.097304|4.308296|3.818297|6.693222|6.207817|10.048874|7.420080|0.151606|8.238950|0.140452|0.195480|4.488459|3.858441|2.977581|3.637758|2.813521|3.505672|2.460294|4.475424|2.949427|1.953097|1.761287|1.604549|1.591067|1.727709|1.929098|1.438830|3.239769|3.144894|3.004413|12.426447|7.523255|36.858105| |17.572798|8.826669|5.430572|0.142037|4.605799|4.112542|4.343505|2.785065|4.975160|2.327967|0.059927|3.257279|0.059934|0.067358|2.787342|2.913132|3.108874|3.649471|2.639154|2.494813|2.277625|3.879154|2.799649|1.791500|1.665388|1.489957|1.424512|1.501093|1.681771|1.281439|2.761285|2.799273|2.788866|2.101760|1.941689|2.234619|0.500000| |17.537525|8.763576|6.753875|0.207248|5.463686|4.565676|4.933721|3.039813|5.216678|2.569213|0.064858|3.735087|0.068165|0.078982|3.239610|3.601875|3.847813|4.224787|2.926273|2.780341|2.619442|4.545889|3.116756|1.975667|1.797893|1.600271|1.543559|1.651666|1.872990|1.378421|2.958749|3.027092|2.972952|2.308548|2.066142|2.496123|0.302093|0.500000| |17.581718|8.727869|6.548508|0.166205|6.559561|4.408809|4.777972|3.113332|5.608022|2.574703|0.064598|3.575481|0.064659|0.075770|2.980166|3.109391|3.113159|3.556831|2.575423|2.547611|2.240053|3.892877|2.711683|1.744138|1.605714|1.443386|1.394248|1.481907|1.660196|1.257181|2.725646|2.757648|2.714733|2.370159|2.165022|2.617162|0.303027|0.301426|0.500000| |8.911950|17.504453|8.846630|0.212051|5.479387|7.291753|6.441912|3.779520|6.525431|2.999384|0.077462|4.246913|0.076655|0.084844|3.962861|4.007474|4.464701|5.178639|3.894386|3.551531|2.994523|4.902551|3.618730|2.222400|2.045122|1.782897|1.679285|1.773555|2.031739|1.482949|3.195128|3.197950|3.209619|2.543728|2.310120|2.607177|0.218199|0.209454|0.173239|0.500000| |8.852755|17.515823|8.836676|0.174437|6.873877|6.941085|6.278321|4.019896|7.512698|3.067835|0.078306|4.097776|0.073013|0.082609|3.590172|3.428430|3.468239|4.120333|3.200738|3.149385|2.487155|4.156820|3.047214|1.920405|1.784143|1.580969|1.500266|1.578664|1.781358|1.341783|2.922565|2.900143|2.903444|2.674679|2.488531|2.800618|0.211633|0.172800|0.211874|0.304076|0.500000| |6.750997|6.794062|8.787918|0.213925|17.599096|5.464454|6.413377|4.247395|7.551028|3.418127|0.081395|4.712213|0.081823|0.104013|3.788044|3.874347|3.481088|3.860411|2.825049|2.987834|2.434773|4.310070|2.881442|1.849174|1.677169|1.506061|1.467401|1.578229|1.779738|1.319039|2.882875|2.894883|2.814459|3.194106|2.802025|3.772585|0.138117|0.171962|0.229781|0.138807|0.169707|0.500000| |4.626802|5.442589|8.749767|0.212653|17.555649|6.782589|9.448504|6.422824|10.733557|4.903834|0.108822|6.651777|0.108448|0.151584|5.134486|4.887351|3.932789|4.347344|3.264189|3.705858|2.727348|4.844853|3.180961|2.027219|1.820009|1.625796|1.586622|1.718010|1.953450|1.417810|3.119776|3.098289|2.998763|4.495882|3.689570|5.579877|0.102762|0.123382|0.136202|0.122835|0.140170|0.303812|0.500000| |5.385389|6.751950|8.767808|0.173487|17.558455|6.788138|7.678755|5.531578|11.010670|4.004510|0.095243|5.067386|0.086408|0.106785|4.055821|3.720928|3.306308|3.841692|2.978240|3.244599|2.395046|4.144246|2.882666|1.844719|1.691420|1.514912|1.462615|1.558209|1.753056|1.314961|2.895531|2.859797|2.811216|3.663095|3.328278|4.187087|0.120888|0.127802|0.165611|0.140168|0.203365|0.301411|0.301804|0.500000| |4.672870|7.121986|8.822089|0.213519|5.482873|17.644594|12.433484|5.938452|9.208274|4.385448|0.113563|6.324933|0.109910|0.117752|6.974284|5.973698|6.303276|7.501349|6.537962|6.159601|3.945352|6.203179|4.626753|2.721278|2.455518|2.089350|1.952282|2.078439|2.438237|1.693701|3.678229|3.606901|3.617022|3.348160|2.944093|3.235651|0.113256|0.124069|0.111647|0.225922|0.173145|0.122984|0.139528|0.139593|0.500000| |4.550176|7.030858|8.850788|0.174075|6.807061|17.637373|12.658216|7.731745|14.256710|4.837440|0.122459|6.072487|0.102902|0.114500|5.660440|4.522017|4.210957|5.155011|4.444205|4.815883|3.005980|4.921147|3.642379|2.247544|2.067647|1.805707|1.703688|1.800294|2.059785|1.506187|3.313056|3.219784|3.224142|3.771587|3.444699|3.688548|0.109929|0.112334|0.117032|0.181468|0.209855|0.139746|0.166607|0.201385|0.304620|0.500000| |2.862925|3.241124|4.134678|0.134114|3.648833|4.483879|7.663698|4.442324|6.223419|4.766404|0.118503|10.242695|0.206634|0.215661|8.928506|17.565395|9.007322|9.456707|5.687242|6.649221|6.519456|13.431619|6.181491|3.699450|2.970575|2.540741|2.525754|2.929267|3.656866|2.135428|4.623645|4.650806|4.342495|3.851438|2.994591|3.719261|0.070103|0.085224|0.074620|0.090964|0.079775|0.091614|0.113333|0.087571|0.125317|0.101509|0.500000| |3.765007|4.324758|6.203231|0.226230|5.308412|6.022251|9.807471|5.158817|7.249438|4.841486|0.112900|9.234966|0.155818|0.215390|8.846230|17.576229|8.768385|7.596254|4.912504|5.492814|4.614766|8.615315|4.780147|2.900092|2.451184|2.126998|2.090446|2.348132|2.811516|1.808754|3.917170|3.955754|3.755603|3.961405|3.079170|4.164459|0.087830|0.113768|0.098039|0.116111|0.101864|0.130688|0.168911|0.117288|0.155766|0.126631|0.301518|0.500000| |3.346355|3.678973|4.309848|0.150125|3.465028|4.328510|6.006548|3.405453|5.138282|3.263021|0.084340|5.679320|0.110870|0.116445|5.482201|8.908499|17.681039|12.499203|5.709775|4.911348|7.527574|13.861213|6.862297|3.881455|3.126137|2.617329|2.545705|2.906970|3.664104|2.133074|4.472914|4.657846|4.434457|2.733349|2.295122|2.724540|0.082889|0.105040|0.082860|0.109751|0.086294|0.090547|0.098357|0.082576|0.133371|0.096987|0.222767|0.210949|0.500000| |4.249727|5.169501|6.161503|0.215822|4.302819|6.529819|7.956692|4.124663|6.218584|3.620654|0.093316|5.987166|0.110275|0.117842|6.547746|8.751794|17.606833|12.594929|7.163727|5.749500|5.824753|9.165788|6.028757|3.368485|2.873283|2.397344|2.266691|2.487732|3.034869|1.924429|4.088784|4.140113|4.067640|2.911633|2.477963|2.882394|0.103302|0.129638|0.100466|0.164355|0.116095|0.107538|0.116314|0.101989|0.228084|0.135140|0.174711|0.212034|0.303761|0.500000| |2.504575|2.988238|3.307072|0.094456|2.740869|4.154439|6.041067|3.719006|5.661310|3.638011|0.107736|5.661945|0.117749|0.098786|5.467234|4.887066|5.686242|12.371323|17.661588|8.921706|7.186142|9.051452|10.219777|5.112012|4.547095|3.456872|3.024395|3.177284|3.955820|2.461354|5.318245|5.003574|5.179668|2.830408|2.528860|2.519256|0.065291|0.070669|0.063086|0.092106|0.077623|0.067910|0.077155|0.071916|0.138677|0.103753|0.127172|0.107894|0.127356|0.145520|0.500000| |3.210115|4.078527|4.533785|0.127420|3.460293|6.178826|8.010441|4.451951|6.758760|3.914825|0.110159|5.984899|0.114330|0.106139|6.545011|5.745428|7.139369|12.525453|17.618257|8.745327|5.733105|7.903230|6.970062|3.742374|3.349658|2.701481|2.440895|2.582192|3.128789|2.052277|4.423458|4.277538|4.369809|2.982909|2.646140|2.735236|0.082560|0.089598|0.078620|0.131454|0.103607|0.083724|0.094450|0.089868|0.243887|0.146029|0.132162|0.129448|0.145408|0.215250|0.305351|0.500000| |2.636793|3.266781|3.907725|0.105443|3.374655|5.509473|9.845940|6.472447|8.958244|6.442042|0.209651|9.157675|0.178562|0.139816|8.769927|5.488579|4.922475|7.624193|8.805779|17.566851|4.571890|7.008919|5.663397|3.361659|3.024876|2.540536|2.355082|2.504620|2.963226|2.013359|4.490841|4.188294|4.211740|4.268409|3.733603|3.496311|0.066981|0.072322|0.068286|0.094852|0.087490|0.079644|0.098679|0.090373|0.163248|0.141777|0.136924|0.123750|0.108245|0.129467|0.213761|0.213125|0.500000| |2.425833|2.867749|3.442465|0.099189|3.024170|4.327429|7.659179|4.886474|6.805750|5.587779|0.168868|10.149006|0.241717|0.156402|8.838429|6.614965|5.693411|9.464683|8.958280|17.517364|6.428652|9.975858|7.448233|4.329889|3.622812|2.989058|2.826390|3.126966|3.874751|2.351097|5.225180|4.894797|4.790449|4.024416|3.340040|3.369087|0.061487|0.068662|0.063024|0.082990|0.074593|0.073743|0.090504|0.078321|0.127525|0.105960|0.190087|0.136514|0.127789|0.132094|0.221891|0.174278|0.301840|0.500000| |2.227092|2.512631|2.689983|0.079603|2.275674|3.064372|4.309265|2.715687|4.252639|2.713094|0.077918|4.285798|0.091174|0.079648|3.814836|3.986185|5.013882|10.819223|7.023150|4.869131|9.523796|10.937501|26.067227|9.334505|7.672040|4.939584|4.090469|4.301264|5.753939|3.106138|6.369292|6.223946|6.528820|2.258659|2.024969|2.082118|0.058939|0.064520|0.056102|0.077447|0.064404|0.058465|0.063810|0.059099|0.098739|0.076641|0.111180|0.091710|0.129297|0.124026|0.243522|0.158938|0.116678|0.139404|0.500000| |1.773583|1.957742|2.056091|0.059582|1.808011|2.299189|3.241202|2.156046|3.472341|2.198341|0.064294|3.327407|0.071918|0.062500|2.743970|2.770321|3.162875|5.622751|4.071070|3.366914|4.842169|7.099797|10.049951|8.883294|17.700639|8.964832|5.658224|4.973230|5.635382|4.116381|8.278901|7.587448|8.977249|1.899506|1.752290|1.742790|0.047650|0.050816|0.045462|0.059220|0.051413|0.046993|0.050774|0.047847|0.071275|0.059701|0.078976|0.066918|0.084647|0.081221|0.138749|0.100146|0.087269|0.099729|0.235056|0.500000| |1.458237|1.574751|1.648843|0.047661|1.492404|1.798707|2.551728|1.745352|2.850771|1.810213|0.052771|2.699903|0.058829|0.051704|2.121198|2.153025|2.347754|3.829316|2.740201|2.466811|3.285269|5.377240|5.751337|5.644239|8.963628|17.745985|8.904279|5.658017|4.944595|7.031787|13.173891|10.944746|17.179825|1.620388|1.512763|1.497358|0.039338|0.041779|0.037939|0.046725|0.041698|0.039275|0.042148|0.039707|0.054099|0.047280|0.062561|0.053584|0.064630|0.060568|0.086745|0.069096|0.065100|0.074034|0.117007|0.217112|0.500000| |1.504095|1.596526|1.726223|0.051264|1.592815|1.831456|2.683068|1.827361|2.925245|1.959969|0.055549|3.066013|0.068627|0.060633|2.312928|2.489637|2.605016|4.000851|2.638968|2.526935|3.745393|7.229662|5.646504|5.667691|4.976769|5.661503|8.934593|17.744952|8.971274|7.039089|12.988851|17.355372|11.007784|1.795338|1.619470|1.687302|0.039802|0.043937|0.039580|0.046321|0.041584|0.042342|0.046023|0.041537|0.053637|0.047034|0.077346|0.062380|0.075427|0.063995|0.077011|0.064600|0.063677|0.078954|0.098377|0.107905|0.124277|0.500000| |1.858372|1.999675|2.211506|0.067110|1.994900|2.366474|3.518960|2.312993|3.604454|2.478927|0.069351|4.090222|0.092297|0.080470|3.196331|3.625756|3.893673|6.201377|3.749402|3.513952|6.832278|15.074516|9.470126|8.898649|5.640822|4.951797|5.644849|8.939984|17.836730|4.109141|8.209263|8.994109|7.598045|2.196591|1.921250|2.062735|0.048493|0.054877|0.048379|0.058391|0.051182|0.052531|0.057989|0.051126|0.070156|0.059144|0.117708|0.086999|0.114846|0.090081|0.106440|0.087581|0.083680|0.112376|0.143282|0.123888|0.107544|0.217005|0.500000| |2.141512|2.421512|2.976786|0.081474|3.177180|3.334199|6.027451|5.465915|8.285657|9.013152|0.212558|9.786276|0.196097|0.199357|4.625712|3.794691|2.944541|3.807821|3.009454|3.952138|2.664163|4.847834|3.242013|2.176849|1.959494|1.790104|1.782375|1.940688|2.162765|1.607850|3.671774|3.488443|3.320284|17.489285|8.934658|8.883821|0.053555|0.059142|0.059664|0.064108|0.065847|0.078132|0.105033|0.085770|0.083194|0.089140|0.108087|0.103990|0.074392|0.076367|0.076856|0.078002|0.111126|0.113089|0.062736|0.053438|0.046199|0.052597|0.064009|0.500000| |1.998827|2.296558|2.700034|0.070695|2.852550|3.139603|5.318419|5.227665|9.242357|6.937341|0.217456|6.364718|0.124880|0.117566|3.713710|2.950667|2.475869|3.323497|2.762602|3.515540|2.283202|3.986529|2.894475|1.949840|1.815772|1.664870|1.625362|1.719178|1.886710|1.480010|3.404783|3.171434|3.103957|8.746848|17.553620|5.470777|0.050940|0.053796|0.055649|0.061206|0.064854|0.069557|0.088806|0.081849|0.078975|0.090239|0.080269|0.079621|0.061876|0.066630|0.072770|0.074102|0.109088|0.096529|0.057682|0.050601|0.043751|0.046071|0.054183|0.214542|0.500000| |2.269855|2.629047|3.127626|0.079297|3.488256|3.578533|5.919495|6.289595|13.026971|6.790157|0.176100|6.097948|0.110566|0.118029|3.744566|2.999518|2.512909|3.264207|2.688301|3.330968|2.186647|3.814042|2.736199|1.820011|1.691585|1.544273|1.503504|1.591299|1.754067|1.368382|3.112197|2.947867|2.889839|8.761061|17.613674|6.788654|0.057295|0.060065|0.064256|0.068185|0.075667|0.083476|0.109622|0.104247|0.086057|0.106386|0.078811|0.083978|0.062692|0.069385|0.069179|0.074419|0.101922|0.087204|0.055001|0.047394|0.040643|0.042657|0.050599|0.173780|0.300894|0.500000| 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