Version2.1 2021-01-06T20:04:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@@H]2CC3=C([C@H](N(c4ccccc4N3)C(=O)C)c5ccc(cc5)C)C(=O)C2 C08742782 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@@H]2CC3=C([C@H](N(c4ccccc4N3)C(=O)C)c5ccc(cc5)C)C(=O)C2 C01[X(C29H28N2O2)] 177 C1 551 Cc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]2c1ccc(cc1)C)C(=O)C Cc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]2c1ccc(cc1)C)C(=O)C CC(=O)N1[C@H](c2ccc(C)cc2)C3=C(C[C@H](CC3=O)c4ccc(C)cc4)Nc5ccccc15 InChIKey=BLSOHRQWVXXHHO-RNWIMVQKSA-N InChI=1S/C29H28N2O2/c1-18-8-12-21(13-9-18)23-16-25-28(27(33)17-23)29(22-14-10-19(2)11-15-22)31(20(3)32)26-7-5-4-6-24(26)30-25/h4-15,23,29-30H,16-17H2,1-3H3/t23-,29-/m1/s1 InChI=1/C29H28N2O2/c1-18-8-12-21(13-9-18)23-16-25-28(27(33)17-23)29(22-14-10-19(2)11-15-22)31(20(3)32)26-7-5-4-6-24(26)30-25/h4-15,23,29-30H,16-17H2,1-3H3/t23-,29-/m1/s1 Cc1ccc(cc1)[C@@H]2CC3=C([C@H](N(c4ccccc4N3)C(=O)C)c5ccc(cc5)C)C(=O)C2 C01[X(C29H28N2O2)] 177 C01 551 Cc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]2c1ccc(cc1)C)C(=O)C C[C]1[CH][CH][C]([CH][CH]1)[C@H]1CC(=O)C2=C(C1)N[C]1[CH][CH][CH][CH][C]1N([C@@H]2[C]1[CH][CH][C]([CH][CH]1)C)C(=O)C C[C]1[CH][CH][C]([CH][CH]1)[C@H]2CC(=O)C3=C(C2)N[C]4[CH][CH][CH][CH][C]4N([C@@H]3[C]5[CH][CH][C](C)[CH][CH]5)C(C)=O InChIKey=BLSOHRQWVXXHHO-RNWIMVQKSA-N InChI=1S/C29H28N2O2/c1-18-8-12-21(13-9-18)23-16-25-28(27(33)17-23)29(22-14-10-19(2)11-15-22)31(20(3)32)26-7-5-4-6-24(26)30-25/h4-15,23,29-30H,16-17H2,1-3H3/t23-,29-/m1/s1 InChI=1/C29H28N2O2/c1-18-8-12-21(13-9-18)23-16-25-28(27(33)17-23)29(22-14-10-19(2)11-15-22)31(20(3)32)26-7-5-4-6-24(26)30-25/h4-15,23,29-30H,16-17H2,1-3H3/t23-,29-/m1/s1 3279.4167579998 -1373.1461881 1-A 17176.3574 116 435 551 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8368.2007 25022.0186 27354.3188 0.99999 0.00452 -0.00069 -0.00450 0.99962 0.02734 0.00081 -0.02733 0.99963 1 0.01035 0.00346 0.00317 0.21567 0.07213 0.06598 28.81 33.57 39.86 48.26 50.02 60.38 64.33 65.48 85.34 110.23 125.23 139.96 156.94 188.49 215.34 224.59 230.34 255.99 319.83 320.82 326.08 387.13 399.58 453.09 500.95 513.05 523.28 537.95 549.07 565.00 613.98 632.05 659.49 660.43 682.86 724.76 734.74 754.76 776.33 808.02 815.19 845.63 856.30 874.58 911.40 925.18 938.97 949.96 964.21 1005.90 1009.00 1016.01 1059.75 1070.60 1119.89 1154.22 1161.11 1186.63 1219.48 1232.33 1245.21 1259.09 1309.44 1323.08 1338.52 1348.97 1369.46 1371.17 1383.75 1394.41 1404.32 1470.02 1527.66 1540.93 1549.96 1554.35 1558.78 1567.67 1570.22 1579.71 1580.24 1600.72 1605.94 1610.55 1637.62 1649.01 1675.87 1677.94 1687.59 1689.50 1716.28 1721.79 1727.35 1730.18 1750.65 1758.45 1782.94 1831.79 1846.65 1853.37 1874.15 1887.01 1891.20 1896.72 1909.77 1916.07 1931.27 1937.20 1971.34 2001.04 2023.31 2044.91 2053.32 2063.13 2081.92 2100.28 2106.43 2141.71 2167.82 2188.73 2221.23 2239.61 2247.76 2254.28 2255.69 2275.20 2284.46 2318.52 2320.98 2323.15 2344.48 2345.11 2348.21 2348.35 2361.35 2361.71 2413.88 2435.83 2438.88 2452.98 2549.35 2553.64 2587.51 2599.84 2627.41 2627.83 2647.99 2801.72 2823.97 4599.11 4605.35 4606.51 4608.41 4627.85 4652.25 4661.04 4678.83 4683.13 4714.69 4720.45 4737.43 4744.09 4799.86 4809.72 4811.92 4818.74 4818.96 4820.53 4822.10 4842.63 4842.79 4848.39 4851.04 4864.50 4869.83 4889.02 5560.09 0.541828 0.569539 0.570483 0.479292 -1372.604360 -1372.576649 -1372.575705 -1372.666896 3.058561D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE Cc1ccc(cc1)[C@@H]2CC3=C([C@H](N(c4ccccc4N3)C(=O)C)c5ccc(cc5)C)C(=O)C2 C08742782 RHF 6-31G(d) (6D,10F) C1 436.215078 |X|Y|Z| 55.836586 42.657331 110.629734 64.110348 27 6 7 25 2 |36.858105| |12.608098|36.858105| |7.532138|13.755755|36.858105| |5.001649|7.888338|13.719218|36.858105| |4.395240|6.747254|7.878296|13.747506|36.858105| |5.012986|7.882661|6.920256|8.012086|13.662462|36.858105| |7.548264|13.674664|8.012654|6.927407|7.882409|13.797503|36.858105| |3.254696|4.387202|5.002501|7.555487|12.541730|7.473383|4.987661|36.858105| |3.044612|3.991405|4.835882|7.464858|9.003205|5.594457|4.203190|17.538426|0.500000| |2.892279|3.720727|4.027491|5.362465|7.531346|6.001884|4.285209|12.460648|0.249631|36.858105| |2.357645|2.887053|3.104119|3.913209|4.892625|4.168147|3.230937|7.474455|0.189103|12.552912|36.858105| |2.189342|2.647309|2.843745|3.544687|4.338687|3.732707|2.941563|6.567471|0.174771|7.591211|14.164763|36.858105| |1.866742|2.190409|2.338839|2.804317|3.239158|2.879640|2.384283|4.356238|0.122271|4.822391|7.449479|12.538760|36.858105| |1.828802|2.137861|2.306607|2.765198|3.122231|2.740716|2.294414|4.143289|0.121051|4.232384|5.826720|9.136054|17.711272|0.500000| |1.755214|2.036660|2.187020|2.590901|2.899960|2.576579|2.180282|3.745226|0.108100|4.337593|6.535161|7.698312|12.958786|0.259189|53.358707| |1.709077|1.967909|2.080362|2.422533|2.722512|2.486395|2.122165|3.395503|0.094583|4.170597|6.107171|6.054723|7.722456|0.159271|18.288474|36.858105| |1.526863|1.728591|1.809224|2.060565|2.279711|2.125825|1.854277|2.731042|0.075845|3.227777|4.265863|4.316955|5.465468|0.124653|10.602684|13.733497|36.858105| |1.471170|1.650219|1.708331|1.916773|2.113028|2.007251|1.772656|2.460809|0.067422|2.933423|3.667935|3.535736|4.073481|0.095643|6.984766|7.905665|13.785004|36.858105| |1.567243|1.762074|1.812496|2.028936|2.252376|2.159667|1.905198|2.598219|0.070116|3.206907|3.921817|3.547925|3.778730|0.088017|6.185514|6.866710|7.974345|13.740256|36.858105| |1.766820|2.018427|2.084678|2.370474|2.677503|2.544636|2.201941|3.151319|0.084046|4.130606|5.216420|4.349489|4.337055|0.098018|7.021676|7.932947|6.907500|7.939625|13.794715|36.858105| |1.865482|2.166743|2.276570|2.660420|3.042853|2.798535|2.363450|3.788069|0.102392|5.096495|7.562459|6.129875|6.149985|0.130058|10.721073|13.723565|7.943925|6.843174|7.915693|13.683363|36.858105| |2.154646|2.569330|2.734634|3.303190|3.893178|3.463970|2.826804|5.121850|0.136047|7.995053|13.782323|7.798523|6.171061|0.133743|9.231438|7.826341|5.158508|4.550872|5.179425|7.908191|13.581541|53.358707| |1.716974|1.982524|2.167084|2.566916|2.772739|2.415885|2.075554|3.511302|0.106690|3.873294|5.257425|5.849494|7.799336|0.214493|18.874312|7.786274|5.805120|4.202857|3.766109|4.160492|5.701230|7.344058|36.858105| |1.744049|2.017143|2.231890|2.661049|2.831376|2.428542|2.090961|3.591523|0.113020|3.706634|4.746966|5.567280|6.999472|0.233618|11.526165|5.381578|4.325791|3.344077|3.061666|3.365076|4.377183|6.073810|15.890460|73.516695| |1.606333|1.829244|1.994483|2.314061|2.443874|2.158096|1.893362|2.954854|0.089092|3.308419|4.181359|4.206816|4.982913|0.133198|10.493360|6.696770|5.743114|4.410224|3.927807|4.169868|5.247051|6.411883|12.569142|14.324093|36.858105| |1.721606|1.988321|2.071765|2.412708|2.788834|2.597813|2.187367|3.533676|0.095220|3.881754|5.348885|7.392777|12.494747|0.251332|10.533893|6.495031|5.471724|4.199641|3.783623|4.094445|5.234060|6.537211|5.237604|8.444159|3.909928|36.858105| |1.757302|2.025528|2.067281|2.378735|2.801988|2.704821|2.272697|3.464181|0.089421|3.910413|5.139066|6.333131|7.429025|0.159300|7.538939|5.537546|4.877463|4.129969|3.919505|4.269621|5.095325|6.392202|4.010712|6.469378|3.246304|13.782958|36.858105| |1.602249|1.814942|1.830259|2.059496|2.383289|2.352718|2.028421|2.815293|0.073051|3.092438|3.760850|4.346893|4.965255|0.118449|5.615711|4.245130|4.143461|3.730665|3.494718|3.580488|3.930471|4.865672|3.219900|5.283032|2.735407|7.895784|13.703434|36.858105| |1.457805|1.634680|1.658000|1.852310|2.097679|2.052815|1.798393|2.447524|0.065004|2.619037|3.138132|3.649841|4.387698|0.111461|5.153333|3.775860|3.882803|3.459239|3.101808|3.062522|3.339150|4.101936|3.071174|5.113788|2.634751|6.759569|7.883671|13.769503|36.858105| |1.437968|1.616027|1.661695|1.870256|2.094714|2.006756|1.756443|2.476092|0.067262|2.615074|3.192968|3.839067|5.024177|0.133586|5.899671|4.059646|4.182718|3.509840|3.038856|3.001661|3.386993|4.149477|3.544719|5.963046|2.963865|7.887912|6.917618|8.009611|13.661991|36.858105| |1.546095|1.758275|1.831657|2.097692|2.360031|2.210666|1.906882|2.880143|0.079270|3.052348|3.907765|4.997048|7.597085|0.202525|8.240854|5.130756|4.932829|3.832218|3.302865|3.370168|4.043174|4.972087|4.684386|7.837775|3.641562|13.666796|8.010765|6.927526|7.892084|13.815667|36.858105| |1.336177|1.478609|1.487432|1.635875|1.831047|1.815972|1.619900|2.078078|0.055236|2.200247|2.536550|2.844842|3.255149|0.085010|3.991109|2.971308|3.127194|2.931322|2.665861|2.579732|2.706408|3.359153|2.489427|4.192348|2.212164|4.400456|5.000204|7.536393|12.608028|7.547178|5.016670|36.858105| |2.351800|2.879481|3.094322|3.905215|4.902015|4.174762|3.227342|7.575077|0.194587|6.582560|7.790251|12.864340|7.580162|0.206995|6.904681|4.154004|3.287874|2.801759|2.804976|3.292825|4.173551|6.882822|4.382291|8.168172|3.323209|5.824792|5.273056|3.945856|3.394508|3.542334|4.402257|2.717017|36.858105| |2.138261|2.553622|2.725267|3.315686|3.935183|3.473099|2.813591|5.332326|0.145119|4.655372|5.394419|8.152366|6.962483|0.219915|6.294467|3.719946|3.079090|2.610670|2.546777|2.879755|3.549315|5.436695|4.099349|7.946712|3.105777|5.931946|5.110357|4.003389|3.596733|3.869321|4.832686|2.870631|15.889785|73.516695| |2.874989|3.691224|3.961606|5.239799|7.466318|6.067975|4.292141|12.477451|0.249378|7.678613|6.596854|7.379883|4.858841|0.131341|5.173173|3.354643|2.736921|2.433509|2.509608|2.964648|3.569244|6.098554|3.445947|6.373901|2.805328|4.089056|4.031624|3.241288|2.794557|2.819898|3.291583|2.340115|12.571319|14.376804|36.858105| |17.547131|8.834968|5.809239|4.264375|3.940135|4.616695|6.791619|3.009838|0.077562|2.783217|2.279223|2.094976|1.795467|0.048462|2.314577|1.676358|1.505189|1.463429|1.570537|1.768896|1.843627|2.882022|1.654768|2.959451|1.560154|1.668181|1.716795|1.573070|1.427521|1.399797|1.497468|1.313705|2.212165|3.568201|2.661472|0.500000| |17.539224|8.840138|5.937811|4.318749|3.947251|4.566690|6.619188|3.013855|0.078163|2.655852|2.207299|2.086451|1.793296|0.049041|2.276896|1.623327|1.458302|1.403476|1.486033|1.662701|1.755787|2.731698|1.631898|2.958114|1.519877|1.670805|1.709764|1.571229|1.434674|1.412105|1.509438|1.321783|2.272307|3.725548|2.770487|0.302271|0.500000| |17.579135|8.837591|7.218113|4.733378|3.935793|4.168171|5.569297|3.009104|0.080553|2.679684|2.217811|2.065839|1.780163|0.048745|2.299534|1.639661|1.469107|1.414187|1.500694|1.683778|1.778733|2.782053|1.671921|3.032555|1.575570|1.633100|1.650693|1.506158|1.380724|1.371087|1.476628|1.267034|2.203964|3.586545|2.643010|0.301771|0.301915|0.500000| |6.967341|8.926477|17.702029|8.937646|5.631706|4.975455|5.670694|4.094570|0.115378|3.410984|2.744539|2.541932|2.142739|0.059223|2.763961|1.928836|1.692793|1.600929|1.689545|1.922691|2.088605|3.358041|2.042529|3.761127|1.902944|1.900713|1.880365|1.677466|1.535980|1.548226|1.702190|1.385714|2.734656|4.367621|3.351225|0.149349|0.154330|0.220854|0.500000| |4.088967|5.636585|8.941374|17.699226|8.927285|5.670501|4.978931|7.023240|0.231326|5.075923|3.914459|3.593220|2.884730|0.080295|3.676403|2.481615|2.102503|1.936843|2.030706|2.363124|2.685789|4.524451|2.748455|5.154264|2.478781|2.429298|2.341619|2.019079|1.834923|1.878497|2.127640|1.614975|3.906706|5.958134|4.929562|0.098769|0.100301|0.112980|0.217208|0.500000| |4.102996|5.636696|4.975687|5.667586|8.873085|17.702567|8.987814|6.893370|0.139570|6.161936|4.405622|3.965319|3.034518|0.078856|3.634275|2.607161|2.230734|2.113612|2.284469|2.700704|2.955977|4.944927|2.442068|4.312121|2.166118|2.802266|3.004215|2.610505|2.235037|2.150129|2.353235|1.970985|4.429628|6.503304|6.371214|0.109347|0.107761|0.096115|0.107890|0.124157|0.500000| |7.008612|8.903071|5.674274|4.978206|5.628413|8.960598|17.690857|4.075673|0.096485|3.695489|2.902865|2.667588|2.204615|0.058706|2.749019|1.988180|1.759272|1.697988|1.829070|2.093872|2.210830|3.524174|1.909031|3.397384|1.751801|2.066320|2.177877|1.974889|1.749968|1.691433|1.812971|1.592592|2.900834|4.574671|3.718994|0.195281|0.185775|0.140562|0.124323|0.107929|0.218268|0.500000| |2.968336|3.795087|3.866054|4.825275|6.938840|6.624636|4.633278|8.806547|0.174659|17.507496|8.955114|6.190263|4.243219|0.102570|5.174248|3.829708|3.066202|2.869280|3.203085|4.120331|4.767171|9.341870|3.323458|5.597398|2.905544|3.687101|3.943383|3.179245|2.637428|2.560259|2.909075|2.237986|5.630962|7.447123|6.767065|0.080835|0.076016|0.074831|0.089981|0.120331|0.211585|0.114309|0.500000| |2.944381|3.761019|4.173024|5.497758|6.861959|5.417932|4.143690|8.872621|0.219601|17.538288|8.946847|5.768703|4.131869|0.102671|5.458792|3.956790|3.105490|2.872581|3.190518|4.134574|4.933066|10.496842|3.746158|6.316472|3.358303|3.349264|3.329566|2.711897|2.344388|2.354757|2.722519|2.000169|4.957711|6.740587|5.566096|0.079376|0.073569|0.076894|0.099708|0.148637|0.144842|0.098696|0.303687|0.500000| |1.441344|1.622992|1.702005|1.930336|2.115502|1.970213|1.730351|2.518979|0.070687|2.871617|3.704320|3.931880|5.225702|0.126187|9.789998|8.986370|17.734186|8.903519|5.653933|4.971646|5.667204|5.698631|5.784561|7.880681|5.666395|5.430079|4.577957|4.043430|4.040560|4.618947|5.459440|3.259826|3.114672|5.361462|2.568927|0.039323|0.038432|0.038648|0.044487|0.054997|0.057166|0.045653|0.075455|0.076410|0.500000| |1.359772|1.510824|1.558237|1.730076|1.889610|1.807744|1.615261|2.165262|0.059465|2.519170|3.048314|2.989906|3.438654|0.083553|5.663782|5.633531|8.922966|17.731175|8.893307|5.644653|4.937649|4.929150|3.580842|5.238686|3.814116|3.635492|3.591457|3.416729|3.292966|3.335092|3.494671|2.892378|2.457395|4.146282|2.156917|0.037626|0.036172|0.036397|0.040791|0.048548|0.052748|0.043223|0.068865|0.068687|0.214207|0.500000| |1.502298|1.671884|1.705577|1.882983|2.074751|2.016619|1.804119|2.337005|0.062824|2.841772|3.313230|3.001542|3.129661|0.074820|4.923065|4.948972|5.658235|8.901943|17.719601|8.954440|5.641187|5.717963|3.118999|4.652810|3.285718|3.174248|3.348229|3.105186|2.787284|2.687894|2.839114|2.475967|2.460104|4.002198|2.252278|0.042094|0.039596|0.039979|0.044322|0.052073|0.059221|0.048522|0.080182|0.079305|0.124068|0.213960|0.500000| |1.859626|2.123059|2.171878|2.448293|2.772737|2.677539|2.328972|3.179471|0.083431|4.252138|4.942559|3.959765|3.724518|0.086332|5.692436|5.644124|4.968494|5.645252|8.927238|17.697939|8.906140|9.893505|3.530827|5.279401|3.541511|3.513282|3.755790|3.216760|2.739444|2.644488|2.917702|2.358400|3.111860|4.793028|2.920930|0.052192|0.048319|0.049040|0.055414|0.066962|0.079125|0.061796|0.122298|0.121536|0.107820|0.124086|0.216035|0.500000| |2.265776|2.703361|2.859062|3.414330|3.998553|3.612699|2.975667|4.956869|0.129369|8.045407|9.524713|5.837583|4.684937|0.107707|6.885006|5.846591|4.331988|4.095755|4.916486|7.596650|9.464304|26.074977|4.357361|6.644966|4.064255|3.883739|3.929083|3.142062|2.669284|2.659515|3.083797|2.244969|4.293660|6.128370|4.114393|0.062489|0.057985|0.059614|0.071446|0.094145|0.104413|0.075731|0.204299|0.249637|0.099205|0.092706|0.116063|0.229212|0.500000| |1.673513|1.910368|2.081940|2.416200|2.554801|2.257099|1.978988|3.071294|0.091866|3.568724|4.475445|4.187765|4.611702|0.117966|9.348763|6.949724|5.725578|4.676923|4.412120|4.863554|6.085077|7.414626|8.820239|10.962935|17.581296|3.658257|3.170397|2.664168|2.510069|2.739384|3.293113|2.122480|3.255564|5.255852|2.825336|0.045392|0.043670|0.045567|0.055043|0.071615|0.062826|0.050792|0.086922|0.103804|0.143636|0.109384|0.101746|0.114848|0.133435|0.500000| |1.575089|1.784477|1.963187|2.267015|2.343378|2.056155|1.822653|2.786411|0.085621|3.015193|3.629693|3.673108|4.189314|0.117969|7.756776|4.884361|4.356701|3.553977|3.237747|3.417976|4.119291|5.335018|9.036198|13.813040|17.641448|3.345400|2.811186|2.413622|2.351174|2.645347|3.191754|2.007831|3.052966|5.146205|2.630543|0.042327|0.041403|0.043243|0.052608|0.068394|0.056654|0.046717|0.073401|0.085926|0.122617|0.088499|0.077819|0.083705|0.097195|0.299245|0.500000| |1.486703|1.677046|1.806274|2.065742|2.188189|1.969770|1.742224|2.601550|0.076790|2.907770|3.633079|3.703279|4.525800|0.120014|9.280366|6.568094|6.599078|4.974527|4.135521|4.104843|4.889347|5.607642|8.815891|11.035861|17.586938|3.833284|3.203229|2.767062|2.718328|3.083102|3.717790|2.296859|2.978795|5.047058|2.521177|0.040288|0.039263|0.040446|0.047927|0.060713|0.055386|0.045216|0.072896|0.081137|0.194949|0.122575|0.096109|0.095194|0.100054|0.302604|0.299782|0.500000| |1.913197|2.229588|2.259502|2.616877|3.164210|3.090445|2.546203|3.954641|0.098530|4.685164|6.194516|7.097569|6.834651|0.144128|7.140223|5.473492|4.573381|4.034385|4.088681|4.736862|5.659828|7.518679|3.853463|6.195620|3.168757|8.929139|17.727891|8.945451|5.639016|4.976211|5.669552|4.091007|5.723414|9.028768|4.560956|0.052105|0.051447|0.049532|0.056419|0.070560|0.097552|0.067739|0.136447|0.107448|0.113646|0.095685|0.097287|0.119155|0.128653|0.088554|0.076345|0.085120|0.500000| |1.604640|1.807592|1.799048|2.002030|2.323642|2.345417|2.037393|2.681940|0.068641|2.959205|3.458635|3.809416|4.057428|0.098055|4.748927|3.689990|3.623028|3.438944|3.348703|3.428313|3.600990|4.526477|2.801603|4.614408|2.443671|5.639416|8.932346|17.697028|8.933502|5.669479|4.978794|6.974430|3.533660|6.244410|3.055761|0.044040|0.043815|0.041693|0.045693|0.053935|0.073177|0.055774|0.086923|0.072445|0.096256|0.088521|0.084966|0.088099|0.083537|0.067195|0.060415|0.068482|0.217319|0.500000| |1.339991|1.493703|1.537460|1.716532|1.896093|1.816700|1.609207|2.207157|0.060558|2.300647|2.744370|3.231803|4.111312|0.114062|5.057002|3.472707|3.665374|3.139326|2.704881|2.632017|2.917380|3.597472|3.203689|5.485300|2.749399|5.629194|4.972996|5.672809|8.895506|17.688642|8.960244|7.006084|3.045243|5.960692|2.485427|0.036221|0.036644|0.035648|0.040077|0.048091|0.053589|0.043129|0.062388|0.058346|0.115460|0.085203|0.067521|0.065001|0.065012|0.069984|0.069392|0.080408|0.107881|0.124311|0.500000| |1.505192|1.707522|1.797110|2.060040|2.278814|2.105160|1.828165|2.773754|0.078285|2.885455|3.649110|4.634601|7.117997|0.218873|8.351032|4.833472|4.660116|3.572520|3.052817|3.104229|3.739402|4.658076|5.178200|9.019366|3.941779|8.910284|5.677747|4.978837|5.630136|8.957587|17.698267|4.096664|4.147961|8.242131|3.120987|0.040340|0.040786|0.040202|0.046759|0.058812|0.061287|0.048019|0.074944|0.072627|0.149876|0.091516|0.073232|0.074918|0.080701|0.095290|0.097507|0.112213|0.124382|0.107937|0.217013|0.500000| |1.257965|1.385569|1.398390|1.533116|1.699420|1.677514|1.506212|1.920235|0.051508|2.041179|2.353598|2.605165|3.014290|0.079141|3.836605|2.889985|3.148310|2.988079|2.660449|2.510057|2.599428|3.176378|2.425967|4.059694|2.196717|3.942999|4.263003|5.812749|8.832919|6.784568|4.616060|17.543221|2.453606|4.575354|2.123942|0.034413|0.034493|0.033283|0.036383|0.042253|0.050146|0.041090|0.057311|0.052202|0.093087|0.084116|0.069131|0.063375|0.059196|0.058339|0.055446|0.064339|0.098808|0.149537|0.194787|0.109026|0.500000| |1.311133|1.446214|1.454177|1.593724|1.775567|1.762321|1.579737|2.001624|0.053367|2.077887|2.359951|2.667545|3.016772|0.080961|3.652547|2.650578|2.738641|2.549027|2.339878|2.293601|2.426147|3.076829|2.327015|3.996571|2.061089|3.951545|4.316892|5.937498|8.839237|6.625662|4.572605|17.537488|2.625676|5.038491|2.277091|0.035689|0.036210|0.034563|0.037713|0.043724|0.052941|0.043187|0.058500|0.052449|0.079655|0.069752|0.060604|0.058827|0.057375|0.054671|0.052616|0.059019|0.100322|0.154320|0.186172|0.107681|0.302300|0.500000| |1.346621|1.485900|1.482007|1.620533|1.821167|1.829907|1.637995|2.045246|0.053810|2.180771|2.477142|2.718376|3.002475|0.077391|3.702406|2.816145|2.945122|2.844343|2.656260|2.574575|2.644303|3.299210|2.310738|3.875837|2.075810|3.939904|4.732199|7.220483|8.835565|5.566950|4.170125|17.574794|2.600664|4.793483|2.290792|0.036951|0.037038|0.035339|0.038254|0.044109|0.055601|0.045071|0.062580|0.055106|0.083020|0.077935|0.069540|0.066310|0.061991|0.056107|0.052360|0.059540|0.113048|0.221134|0.140487|0.096009|0.301733|0.301873|0.500000| |2.922237|3.720300|4.041072|5.239205|6.764369|5.553719|4.185929|8.752831|0.213232|5.532152|4.902446|5.555898|4.137881|0.118029|4.507267|2.900483|2.430412|2.169249|2.211396|2.550516|3.007674|4.931195|3.108389|5.921854|2.560393|3.573428|3.464633|2.896645|2.573120|2.622311|3.018483|2.193149|9.011538|13.621312|17.605435|0.073668|0.079598|0.075084|0.096110|0.138885|0.153164|0.100617|0.138843|0.123702|0.064484|0.054162|0.055676|0.069717|0.093707|0.070722|0.068005|0.064260|0.104461|0.075990|0.065358|0.081034|0.055449|0.060196|0.059380|0.500000| 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