Version2.1 2021-01-14T04:15:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)N(C[C@H]2C=c3cccc(c3=[NH+]C2=O)C)C(=O)c4ccccc4OC)C C38918397 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)N(C[C@H]2C=c3cccc(c3=[NH+]C2=O)C)C(=O)c4ccccc4OC)C C01[X(C27H27N2O3)] 171 C1 534 COc1ccccc1C(=O)N(c1cc(C)ccc1C)C[C@H]1C=c2cccc(c2=[NH+]C1=O)C COc1ccccc1C(=O)N(c1cc(C)ccc1C)C[C@H]1C=c2cccc(c2=[NH+]C1=O)C COc1ccccc1C(=O)N(C[C@H]2C=C3C=CC=C(C)C3=[NH+]C2=O)c4cc(C)ccc4C InChIKey=SEBJVCIVEYGFPB-OAQYLSRUSA-O InChI=1S/C27H26N2O3/c1-17-12-13-18(2)23(14-17)29(27(31)22-10-5-6-11-24(22)32-4)16-21-15-20-9-7-8-19(3)25(20)28-26(21)30/h5-15,21H,16H2,1-4H3/p+1/t21-/m1/s1 InChI=1/C27H26N2O3/c1-17-12-13-18(2)23(14-17)29(27(31)22-10-5-6-11-24(22)32-4)16-21-15-20-9-7-8-19(3)25(20)28-26(21)30/h5-15,21H,16H2,1-4H3/p+1/t21-/m1/s1/fC27H27N2O3/h28H/q+1 Cc1ccc(c(c1)N(C[C@H]2C=c3cccc(c3=[NH+]C2=O)C)C(=O)c4ccccc4OC)C C01[X(C27H27N2O3)] 171 C01 534 COc1ccccc1C(=O)N(c1cc(C)ccc1C)C[C@H]1C=c2cccc(c2=[NH+]C1=O)C CO[C]1[CH][CH][CH][CH][C]1C(=O)N([C]1[CH][C]([CH][CH][C]1C)C)C[C@H]1[CH][C]2[CH]=[CH][CH][C]([C]2NC1=O)C CO[C]1[CH][CH][CH][CH][C]1C(=O)N(C[C@H]2[CH][C]3C=C[CH][C](C)[C]3NC2=O)[C]4[CH][C](C)[CH][CH][C]4C InChIKey=SGPVWXHRNAOSAR-OAQYLSRUSA-N InChI=1S/C27H27N2O3/c1-17-12-13-18(2)23(14-17)29(27(31)22-10-5-6-11-24(22)32-4)16-21-15-20-9-7-8-19(3)25(20)28-26(21)30/h5-15,21H,16H2,1-4H3,(H,28,30)/t21-/m1/s1 InChI=1/C27H27N2O3/c1-17-12-13-18(2)23(14-17)29(27(31)22-10-5-6-11-24(22)32-4)16-21-15-20-9-7-8-19(3)25(20)28-26(21)30/h5-15,21H,16H2,1-4H3,(H,28,30)/t21-/m1/s1/f/h28H 3190.8073359920 -1371.4674297 1-A 15219.8090 113 421 534 |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| -20.69103 -20.67503 -20.62800 -15.77453 -15.69165 -11.51162 -11.49208 -11.45452 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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 6 6 6 6 6 6 6 7 6 6 1 6 6 6 6 6 6 6 7 1 6 8 6 6 8 6 6 6 6 6 6 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 7805.1183 21822.7139 24767.4131 1.00000 0.00196 0.00016 -0.00195 0.99964 -0.02683 -0.00022 0.02683 0.99964 1 0.01110 0.00397 0.00350 0.23123 0.08270 0.07287 23.99 29.53 34.37 46.06 65.49 72.23 77.46 84.69 133.91 141.49 155.36 169.68 177.65 202.72 215.61 237.70 245.59 269.16 293.28 321.48 345.32 362.84 387.65 419.37 426.20 445.53 454.63 486.91 506.03 535.47 568.51 618.01 630.15 644.04 653.09 673.10 723.57 726.53 731.02 763.80 782.27 814.04 823.56 834.70 872.59 885.54 892.79 920.26 962.67 1027.12 1040.36 1046.16 1093.11 1122.42 1146.25 1152.19 1170.76 1184.07 1197.06 1231.33 1245.09 1266.53 1273.10 1303.69 1316.16 1340.95 1383.57 1406.05 1430.40 1451.99 1509.64 1517.73 1542.70 1559.04 1572.85 1578.34 1586.55 1610.78 1612.15 1615.65 1632.74 1648.39 1661.63 1673.17 1679.08 1684.09 1689.91 1691.41 1706.89 1741.80 1747.50 1764.28 1790.51 1824.09 1845.17 1858.16 1862.97 1874.45 1883.08 1897.11 1906.09 1919.87 1926.08 1938.80 1989.90 1993.87 2028.06 2049.69 2060.73 2074.54 2096.45 2133.83 2155.22 2177.08 2245.87 2253.06 2258.07 2260.89 2264.76 2282.63 2285.64 2325.15 2339.48 2345.72 2347.50 2353.07 2354.64 2358.71 2363.10 2367.59 2371.44 2374.68 2388.05 2412.25 2423.38 2493.89 2545.01 2553.06 2567.26 2603.44 2613.60 2623.89 2706.48 2932.70 4600.70 4611.88 4614.80 4631.72 4639.17 4662.14 4692.26 4694.28 4717.07 4724.66 4737.08 4743.18 4766.19 4796.10 4826.75 4829.16 4854.77 4856.68 4868.00 4872.04 4885.13 4888.00 4892.37 4915.42 4919.72 4923.09 5509.85 0.521440 0.549241 0.550186 0.459994 -1370.945990 -1370.918188 -1370.917244 -1371.007435 3.025021D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE Cc1ccc(c(c1)N(C[C@H]2C=c3cccc(c3=[NH+]C2=O)C)C(=O)c4ccccc4OC)C C38918397 RHF 6-31G(d) (6D,10F) C1 427.202168 |X|Y|Z| 102.864995 55.650869 39.261195 60.799643 25 6 7 23 2 |36.858105| |12.609956|36.858105| |7.541334|13.667952|36.858105| |5.017902|7.901029|13.831603|36.858105| |4.388904|6.731767|7.861681|13.651234|36.858105| |4.996561|7.870175|6.913423|8.020027|13.716529|36.858105| |7.542935|13.791174|8.026141|6.947907|7.871102|13.682140|36.858105| |3.849595|5.132742|4.541865|5.129646|7.732373|13.222630|7.851741|53.358707| |3.426674|4.279317|3.812735|4.179400|5.656345|7.706188|5.944526|17.872438|36.858105| |3.091220|3.571683|3.095494|3.214773|3.977350|5.194368|4.737843|10.271537|12.156853|36.858105| |3.220577|3.684318|3.121082|3.188360|3.913788|5.274244|4.988644|10.465683|8.856045|17.480988|0.500000| |2.495906|2.826910|2.553859|2.697778|3.280550|3.934089|3.524444|7.377132|7.487614|12.811834|0.256502|36.858105| |2.215172|2.434230|2.213942|2.304153|2.700080|3.131408|2.916852|5.382273|5.133278|7.576843|0.170771|14.036648|36.858105| |1.907815|2.081972|1.931890|2.024163|2.342162|2.624605|2.432361|4.382579|3.899900|4.964784|0.122314|7.800299|13.221934|36.858105| |1.736033|1.862002|1.733498|1.797672|2.036138|2.252120|2.130090|3.621858|3.149149|3.866554|0.097477|5.212215|7.895214|14.169953|36.858105| |1.766399|1.867191|1.723490|1.762032|1.970072|2.191149|2.119624|3.452074|3.020472|3.749915|0.094208|4.633175|6.915112|7.985276|13.370122|36.858105| |1.977807|2.081088|1.892220|1.914441|2.139998|2.422566|2.380475|3.810996|3.417634|4.425762|0.108791|5.150704|7.708548|6.671223|7.691866|13.888031|36.858105| |2.263262|2.426450|2.178054|2.214859|2.530293|2.942816|2.861406|4.804568|4.542510|6.580164|0.151167|7.897802|13.237251|7.667154|6.759466|8.042261|13.515712|36.858105| |2.632318|2.802553|2.451883|2.446887|2.781161|3.325048|3.344464|5.328454|5.138411|7.685267|0.172979|6.918310|7.934744|5.137739|4.574046|5.273180|7.951678|14.140633|53.358707| |2.596806|2.692816|2.352713|2.310582|2.563596|3.019136|3.122437|4.624968|4.257839|5.669521|0.136748|5.076275|5.752495|4.219433|4.004265|4.839859|7.376219|9.359699|25.941043|0.500000| |3.190302|3.501801|2.971756|2.958523|3.447933|4.366979|4.422885|7.214400|7.455045|12.575306|0.253769|7.570339|6.618974|4.411959|3.738451|3.954696|5.122675|7.779536|18.595161|0.262375|36.858105| |3.787149|4.060493|3.314573|3.178676|3.593753|4.609897|5.082356|6.908444|6.472617|7.991065|0.194246|5.247459|4.693550|3.465707|3.058639|3.268660|4.122289|5.456858|11.624434|0.221924|16.088476|73.516695| |1.938866|1.994677|1.808348|1.800586|1.970619|2.215986|2.233569|3.365129|2.943102|3.635043|0.091793|3.843133|4.927425|4.362657|4.931729|7.550331|12.603692|7.485667|8.995717|0.212179|4.465580|6.961448|36.858105| |3.212529|4.038315|3.710961|4.198176|5.873958|7.661774|5.496279|19.066802|7.976861|6.297475|0.195558|5.326382|3.864363|3.282970|2.677128|2.480597|2.659883|3.296314|4.716638|0.083423|4.356083|7.122803|2.315321|36.858105| |2.718877|3.266500|3.036714|3.388232|4.461902|5.350771|4.207095|11.670238|7.297312|6.657770|0.199527|6.612737|4.555085|3.932325|3.082338|2.761667|2.902615|3.630117|4.941229|0.085572|4.368582|6.747714|2.450683|15.729356|73.516695| |3.186672|3.964757|3.740015|4.210654|5.519537|6.450855|5.035936|10.476545|5.034980|4.320378|0.136375|3.819709|3.013687|2.671376|2.255179|2.105242|2.230250|2.658190|3.792364|0.069252|3.361800|5.740851|1.987970|12.721350|14.369803|36.858105| |2.706210|3.296389|3.293307|3.824686|4.810639|4.879743|3.883756|7.373634|4.025151|3.468429|0.104184|3.257628|2.657245|2.443262|2.085061|1.926452|2.002477|2.333693|3.256341|0.060039|2.784201|4.741596|1.788865|7.692795|11.318199|13.751188|36.858105| |2.525774|2.983656|3.025708|3.417826|3.956355|3.901466|3.335130|5.475793|3.155420|2.815837|0.084668|2.660691|2.249089|2.099104|1.830578|1.705258|1.764537|2.016106|2.814033|0.052706|2.361416|4.085692|1.599130|5.062466|7.863199|7.905563|13.760945|36.858105| |2.684177|3.097223|3.073192|3.309043|3.665805|3.743339|3.400698|5.071874|2.929328|2.683403|0.082355|2.486173|2.125952|1.969133|1.735140|1.637021|1.706524|1.941573|2.742356|0.051824|2.303998|4.049328|1.564004|4.471305|6.834739|6.890915|7.996100|13.783631|36.858105| |3.132714|3.603574|3.397431|3.517102|3.915631|4.291439|4.065622|5.781037|3.244887|3.019423|0.095679|2.709115|2.295288|2.083404|1.830181|1.742767|1.840672|2.115843|3.037222|0.057348|2.596196|4.609236|1.691321|5.026227|7.356837|7.924830|6.886969|7.903629|13.735829|36.858105| |3.496130|4.196124|3.789408|3.965280|4.736587|5.709084|5.198307|8.158946|4.212557|3.867837|0.126874|3.344795|2.732647|2.417361|2.083619|1.980265|2.114984|2.491074|3.614978|0.067156|3.191244|5.617409|1.920130|7.537615|9.922820|13.648051|7.921852|6.829621|7.937416|13.737524|36.858105| 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|17.546391|8.841512|6.667005|4.579567|3.933364|4.295740|5.901933|4.622693|2.978632|2.720672|0.079647|2.254376|2.012384|1.759112|1.607516|1.627591|1.802011|2.039395|3.167963|0.063717|2.757742|5.638053|1.766098|2.959859|4.476842|3.053782|2.638410|2.530568|2.750610|3.213114|3.440194|6.837642|4.157002|3.010827|0.500000| |17.580766|8.836104|5.563599|4.172251|3.932328|4.732589|7.229520|5.279964|3.522370|3.319779|0.097797|2.640228|2.353027|2.005467|1.826969|1.873800|2.120533|2.437089|3.925056|0.079578|3.522335|7.635877|2.090550|3.250746|4.944890|3.169884|2.645363|2.453040|2.619271|3.111086|3.531189|7.551323|4.524340|3.004855|0.301611|0.500000| |17.554647|8.845187|6.740704|4.612601|3.944146|4.278524|5.855290|4.613679|3.150267|2.846112|0.080340|2.332175|2.103020|1.820331|1.671943|1.713663|1.921201|2.173718|3.442763|0.070323|3.007427|6.387854|1.906436|2.835096|4.362145|2.767241|2.407788|2.251778|2.356426|2.675902|2.948619|5.842622|3.349544|3.022028|0.302466|0.301981|0.500000| |6.992145|8.895386|17.702000|8.971315|5.621365|4.971921|5.680080|4.919781|3.154630|2.652000|0.074162|2.239096|1.978618|1.747675|1.586437|1.584094|1.731361|1.962206|2.986401|0.059195|2.593675|5.133822|1.672216|3.076772|4.614090|3.141930|2.852100|2.698618|2.767641|3.006876|3.223522|5.802563|3.133369|4.113851|0.188277|0.140247|0.191987|0.500000| |4.099013|5.637925|8.976588|17.709547|8.926720|5.683337|4.990270|5.649295|3.533899|2.787142|0.076250|2.416054|2.095549|1.872526|1.675875|1.638049|1.761959|2.010586|2.978405|0.057690|2.578722|4.858674|1.661717|3.589022|5.340559|3.658186|3.515251|3.232208|3.086247|3.154559|3.416827|5.697972|2.861087|7.113191|0.107927|0.096070|0.108934|0.217638|0.500000| |6.966766|8.935109|5.676956|4.993494|5.639818|8.967715|17.746443|9.985183|6.006920|5.359646|0.165405|3.815513|3.159959|2.584185|2.261541|2.272049|2.590148|3.153064|5.156586|0.098134|5.184531|11.002796|2.435468|5.372402|7.571999|4.782666|3.619614|3.122936|3.232132|3.959556|5.148163|12.018666|5.814640|4.070362|0.152640|0.220975|0.150796|0.124364|0.108201|0.500000| |2.939931|3.614194|3.399241|3.859278|5.194627|6.097906|4.648972|12.395964|17.576589|8.753208|0.182118|7.518548|5.228073|4.146272|3.292430|3.068765|3.366476|4.377865|6.254143|0.106463|5.867853|8.900133|2.847362|7.115300|13.099731|4.640331|3.979411|3.097366|2.790962|2.982019|3.741665|6.781451|3.042900|5.351470|0.072437|0.082484|0.076488|0.079807|0.094257|0.125894|0.500000| |3.795729|4.780255|4.208447|4.503123|5.829454|7.761352|6.516907|12.662551|17.694165|8.815414|0.187786|5.774255|4.472871|3.451467|2.901782|2.873701|3.314862|4.299781|7.006759|0.123679|7.617705|13.452653|2.959578|5.829028|9.248362|4.212839|3.468437|2.827038|2.671469|2.957582|3.716704|7.207703|3.327110|4.971987|0.088917|0.107639|0.098984|0.096147|0.104401|0.178201|0.302239|0.500000| |2.376440|2.725652|2.512072|2.710055|3.347467|3.918146|3.379693|7.529524|6.901518|8.774403|0.211155|17.737500|8.992575|7.112417|4.745994|3.997117|4.155402|5.604444|6.774787|0.109641|5.480314|7.504594|3.212949|6.043697|15.454549|4.235928|3.687956|2.940609|2.680021|2.868764|3.545755|6.526506|2.972626|3.431469|0.060387|0.068838|0.061383|0.061156|0.067993|0.098889|0.211962|0.142726|0.500000| |1.851372|2.038795|1.912132|2.027792|2.364194|2.617341|2.380959|4.409169|3.806092|4.585814|0.116056|7.140341|8.791498|17.734174|9.000718|5.636953|4.848126|5.526006|5.683063|0.097267|3.854617|5.533962|3.501454|3.427778|7.569586|2.799463|2.607450|2.226706|2.059504|2.151337|2.487342|4.548203|2.224118|2.450893|0.047743|0.053612|0.048863|0.048012|0.052385|0.069385|0.115617|0.091596|0.215669|0.500000| |1.587840|1.698374|1.595807|1.658944|1.865979|2.034707|1.921548|3.229758|2.736756|3.228789|0.083092|4.186382|5.599087|9.008014|17.762521|8.806399|5.566261|4.898072|4.951861|0.091130|3.095352|4.642826|4.065157|2.417862|4.934832|2.078451|1.953596|1.732625|1.638882|1.711426|1.922669|3.559095|1.815767|1.902156|0.041143|0.046161|0.042560|0.040812|0.043307|0.056186|0.080068|0.070342|0.111681|0.214030|0.500000| |1.625996|1.702750|1.580386|1.609419|1.778042|1.955757|1.905471|3.023205|2.589650|3.106810|0.079504|3.672709|4.973930|5.703927|8.879629|17.714884|9.065975|5.698488|5.777836|0.113993|3.302227|5.042771|7.066189|2.176196|4.253297|1.882964|1.739420|1.557780|1.501263|1.590972|1.785406|3.385991|1.765743|1.762683|0.041845|0.047803|0.044059|0.040673|0.041828|0.056455|0.073006|0.069332|0.090887|0.124555|0.216173|0.500000| |1.748462|1.791976|1.641272|1.637594|1.779894|1.974219|1.982978|2.972498|2.548302|3.053329|0.078332|3.276364|4.128656|3.941617|4.709862|7.271129|8.890015|5.550919|6.577731|0.148198|3.572600|5.696304|17.618134|2.072402|3.908185|1.805348|1.644436|1.482249|1.449352|1.555672|1.745907|3.377712|1.794789|1.719118|0.044636|0.052022|0.047901|0.042461|0.042323|0.059468|0.069406|0.070880|0.078684|0.089823|0.113279|0.226163|0.500000| |2.005039|2.061542|1.873821|1.861842|2.026220|2.265985|2.291499|3.393108|3.002234|3.592365|0.088898|3.667435|4.498381|3.902078|4.234976|5.886240|8.807179|6.618263|8.923956|0.226339|4.552280|7.328957|17.539318|2.289710|4.252081|1.962464|1.767644|1.579072|1.542049|1.665029|1.890278|3.686369|1.944141|1.932362|0.050368|0.059806|0.055350|0.048219|0.047765|0.068901|0.080746|0.086156|0.085364|0.089150|0.098960|0.153740|0.303219|0.500000| |2.014732|2.044547|1.831458|1.802712|1.962481|2.229163|2.287620|3.362746|2.886473|3.611063|0.094089|3.675680|4.504119|3.902421|4.231463|5.877417|8.809580|6.634338|8.952895|0.224926|4.544925|7.275873|17.541907|2.313970|4.307176|2.004831|1.788833|1.607008|1.587551|1.732536|1.966191|3.898144|2.084422|1.854084|0.051016|0.061115|0.054828|0.047089|0.045992|0.070329|0.075840|0.080713|0.085530|0.089171|0.098858|0.153364|0.303152|0.300518|0.500000| |2.486364|3.020417|3.066767|3.640022|4.642080|4.529103|3.533610|7.068388|4.082423|3.455652|0.100200|3.358389|2.737154|2.552426|2.163628|1.974773|2.032958|2.365445|3.251098|0.059663|2.748338|4.614275|1.800645|7.201297|11.825888|8.962053|17.727102|8.919486|5.669524|4.960468|5.647795|7.608342|3.329418|5.605531|0.066656|0.067401|0.062568|0.074277|0.095024|0.091299|0.118236|0.096820|0.108406|0.076833|0.056553|0.049454|0.046097|0.049514|0.049509|0.500000| |2.251081|2.622310|2.709121|3.073950|3.471527|3.319294|2.864394|4.632110|2.785622|2.497559|0.073724|2.407630|2.069575|1.962720|1.725887|1.602864|1.644087|1.857098|2.568673|0.048341|2.122525|3.666207|1.493353|4.128306|6.730318|5.632781|8.908250|17.740710|8.902160|5.628211|4.931326|6.504863|3.130847|3.812153|0.062822|0.060477|0.056622|0.068387|0.083224|0.074495|0.077545|0.070115|0.074025|0.058145|0.045775|0.040910|0.038698|0.041000|0.041504|0.214611|0.500000| |2.459370|2.762699|2.770895|2.936030|3.134399|3.147296|2.938203|4.205655|2.517317|2.335402|0.070978|2.184968|1.903756|1.781030|1.588264|1.504149|1.561574|1.754835|2.471585|0.047113|2.047960|3.617510|1.442411|3.570537|5.636687|4.961883|5.668741|8.928712|17.723498|8.958960|5.657347|7.468672|3.925306|3.078426|0.071087|0.066478|0.060597|0.071052|0.077683|0.077942|0.067055|0.064773|0.064901|0.051631|0.041937|0.038594|0.037349|0.039510|0.040713|0.124369|0.214373|0.500000| |3.148021|3.460947|3.214250|3.196586|3.414046|3.750515|3.768767|4.950403|2.888228|2.752924|0.087293|2.466579|2.130200|1.937159|1.722857|1.656505|1.753967|1.996479|2.881049|0.055010|2.439242|4.386060|1.630078|4.082060|6.170611|5.631689|4.964139|5.648553|8.952515|17.773831|8.886360|12.544850|7.503002|3.063690|0.092029|0.087669|0.074355|0.080779|0.080095|0.104204|0.073320|0.074608|0.071302|0.055076|0.044834|0.042255|0.041761|0.044536|0.046718|0.107737|0.124257|0.217597|0.500000| |4.664895|4.823029|3.964625|3.587350|3.724442|4.456113|5.244272|5.545727|3.263842|3.160187|0.102073|2.662079|2.302799|2.025216|1.809566|1.783107|1.940759|2.233331|3.357642|0.064909|2.929206|5.523148|1.834145|4.070459|6.000990|4.790354|3.802365|3.739895|4.583275|6.735109|7.075904|16.433590|17.587185|3.058335|0.137914|0.137418|0.102449|0.097957|0.085575|0.155940|0.078741|0.087382|0.073610|0.056053|0.046373|0.045333|0.046379|0.050473|0.053369|0.088359|0.086621|0.113178|0.223082|0.500000| |3.371566|3.497711|2.998026|2.857518|3.086108|3.668531|3.974824|5.076646|3.089274|3.172064|0.106020|2.773182|2.412476|2.147481|1.914140|1.868197|2.011463|2.306566|3.387945|0.064855|2.881401|5.213377|1.879079|4.024548|6.276056|4.725324|3.786637|3.739564|4.596011|6.757364|6.992152|16.429871|17.584501|2.698045|0.095780|0.101353|0.078750|0.074953|0.070050|0.122353|0.075716|0.079880|0.077545|0.059829|0.049203|0.047436|0.047705|0.050795|0.054964|0.088106|0.086748|0.113879|0.228035|0.298526|0.500000| |4.351206|4.356326|3.441755|3.146166|3.388641|4.284631|5.140203|5.806571|3.598259|3.770909|0.128592|3.094125|2.681859|2.305518|2.054560|2.046651|2.265662|2.642328|4.051229|0.078108|3.574035|6.752872|2.140352|4.190678|6.413681|4.406563|3.408647|3.180312|3.623067|4.911084|5.877268|16.967161|17.649824|2.826965|0.118447|0.141469|0.098293|0.084581|0.074982|0.177279|0.084420|0.095520|0.083102|0.062774|0.051989|0.051631|0.053484|0.058285|0.063388|0.082092|0.074989|0.089255|0.146488|0.300008|0.300237|0.500000| |2.992640|3.906296|4.175140|5.618106|8.779908|6.955191|4.637668|9.896091|6.208011|4.199434|0.109031|3.788059|3.050252|2.707394|2.298063|2.153154|2.282822|2.710729|3.861008|0.070838|3.396532|5.828378|2.037367|6.534454|9.929017|5.400477|5.283095|4.009963|3.385481|3.394196|4.067679|6.543619|2.951192|17.590213|0.076164|0.078885|0.077484|0.096545|0.143591|0.110664|0.196979|0.156980|0.114204|0.078233|0.058775|0.053528|0.051388|0.057840|0.055149|0.167135|0.101816|0.080450|0.080718|0.080531|0.073637|0.077436|0.500000| |3.008975|3.933881|4.482685|6.391807|8.849468|6.100776|4.367753|7.495213|4.313313|3.277847|0.090262|2.971617|2.471466|2.241666|1.944465|1.832910|1.929725|2.238402|3.192235|0.059723|2.758438|4.857240|1.753169|5.512031|8.039463|5.797068|6.425118|5.151948|4.187199|3.964127|4.463831|6.656084|3.054704|17.558247|0.079508|0.077400|0.076816|0.105201|0.175346|0.101951|0.123781|0.112374|0.089166|0.064920|0.050425|0.046214|0.044684|0.049453|0.048051|0.193129|0.131722|0.098827|0.092259|0.086193|0.076799|0.077362|0.302182|0.500000| 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