Version2.1 2020-12-15T20:11:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](CCCNC(=O)c1c(c2ccc(cc2[nH]1)OC)Sc3ccc(cc3)Cl)C4CCCCC4 C09288653 RHF 6-31G(d) (6D,7F) C[NH+](CCCNC(=O)c1c(c2ccc(cc2[nH]1)OC)Sc3ccc(cc3)Cl)C4CCCCC4 C01[X(C26H33Cl1N3O2S1)] 192 C1 569 COc1ccc2c(c1)[nH]c(c2Sc1ccc(cc1)Cl)C(=O)NCCC[NH+](C1CCCCC1)C COc1ccc2c(c1)[nH]c(c2Sc1ccc(cc1)Cl)C(=O)NCCC[NH+](C1CCCCC1)C COc1ccc2c([nH]c(C(=O)NCCC[NH+](C)C3CCCCC3)c2Sc4ccc(Cl)cc4)c1 InChIKey=MKPCBWSYXIVEOB-UHFFFAOYSA-O InChI=1S/C26H32ClN3O2S/c1-30(19-7-4-3-5-8-19)16-6-15-28-26(31)24-25(33-21-12-9-18(27)10-13-21)22-14-11-20(32-2)17-23(22)29-24/h9-14,17,19,29H,3-8,15-16H2,1-2H3,(H,28,31)/p+1 InChI=1/C26H32ClN3O2S/c1-30(19-7-4-3-5-8-19)16-6-15-28-26(31)24-25(33-21-12-9-18(27)10-13-21)22-14-11-20(32-2)17-23(22)29-24/h9-14,17,19,29H,3-8,15-16H2,1-2H3,(H,28,31)/p+1/fC26H33ClN3O2S/h28,30H/q+1 C[NH+](CCCNC(=O)c1c(c2ccc(cc2[nH]1)OC)Sc3ccc(cc3)Cl)C4CCCCC4 C01[X(C26H33Cl1N3O2S1)] 192 C01 569 COc1ccc2c(c1)[nH]c(c2Sc1ccc(cc1)Cl)C(=O)NCCC[NH+](C1CCCCC1)C CO[C]1[CH][CH][C]2[C]([CH]1)NC(=[C]2S[C]1[CH][CH][C]([CH][CH]1)Cl)C(=O)NCCC[NH](C1CCCCC1)C CO[C]1[CH][CH][C]2[C]([CH]1)NC(=C2S[C]3[CH][CH][C](Cl)[CH][CH]3)C(=O)NCCC[NH](C)C4CCCCC4 InChIKey=KCOBHLIXYJOECV-UHFFFAOYSA-N InChI=1S/C26H33ClN3O2S/c1-30(19-7-4-3-5-8-19)16-6-15-28-26(31)24-25(33-21-12-9-18(27)10-13-21)22-14-11-20(32-2)17-23(22)29-24/h9-14,17,19,29-30H,3-8,15-16H2,1-2H3,(H,28,31) InChI=1/C26H33ClN3O2S/c1-30(19-7-4-3-5-8-19)16-6-15-28-26(31)24-25(33-21-12-9-18(27)10-13-21)22-14-11-20(32-2)17-23(22)29-24/h9-14,17,19,29-30H,3-8,15-16H2,1-2H3,(H,28,31)/f/h28H 3538.5118587473 -2173.6678095 1-A 27941.2236 129 440 569 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0.4211 0.4492 0.2342 0.7160 0.7101 0.7480 0.0322 0.1794 0.4865 0.4375 0.6931 0.6989 0.7285 0.7486 0.3587 0.5001 0.1979 0.1457 0.1982 0.1950 0.1945 0.2593 0.8473 0.8523 0.8550 0.8482 0.8487 0.8571 0.8526 0.8380 0.6255 0.6991 0.8248 0.8500 0.8560 0.7306 0.8359 0.1462 0.8424 0.0612 0.7239 0.2445 0.5440 0.8343 0.8544 0.5195 0.4630 0.6747 0.6273 0.6292 0.8432 0.4816 0.7268 0.5092 0.7453 0.8394 0.3929 0.6134 0.8513 0.7580 0.8571 0.8328 0.8377 0.6329 0.5747 0.1418 0.5869 0.6786 0.2841 0.6142 0.8446 0.5791 0.5748 0.2646 0.3235 0.8442 0.8530 0.4603 0.6818 0.7965 0.5073 0.1784 0.2643 0.3341 0.3654 0.5566 0.7525 0.8285 0.2086 0.8564 0.4598 0.7592 0.8031 0.8193 0.8342 0.8472 0.8284 0.8195 0.3358 0.8533 0.6989 0.7359 0.1606 0.8535 0.3839 0.8105 0.4035 0.6605 0.5191 0.6227 0.6872 0.8237 0.4898 0.5431 0.2421 0.3572 0.1993 0.6564 0.6533 0.6427 0.7024 0.8548 0.3245 0.8571 0.8561 0.7753 0.2822 0.8566 0.5337 0.8543 0.8335 0.3911 0.3909 0.8494 0.3028 0.6860 0.3293 0.4959 0.5397 0.5988 0.5995 0.5233 0.3850 0.7852 0.8566 0.7824 0.8259 0.8177 0.6631 0.8517 0.7985 0.8245 0.7695 0.8567 0.7307 0.7979 0.7811 0.5606 0.8523 0.8530 0.6324 0.8564 0.7456 0.8189 0.7425 0.8115 0.5057 0.8559 0.8404 0.8017 0.8524 0.7722 0.8291 0.2940 0.1794 0.4219 0.8568 0.4281 0.6092 0.5801 0.3746 0.3153 0.3076 0.3057 0.7600 0.8008 0.0387 0.0982 0.7987 0.7653 0.4947 0.7362 0.5927 0.6199 0.3795 0.8345 0.8305 0.8558 0.0623 0.3042 0.6546 0.6087 0.8187 0.8228 0.8429 0.8562 0.5280 0.6668 0.3304 0.2544 0.3308 0.3263 0.3257 0.4119 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 64 65 66 6 7 1 6 6 6 7 6 8 6 6 6 6 6 6 6 6 7 1 8 6 16 6 6 6 6 6 6 17 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 1 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 15.99491 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 1.00783 14308.6406 37871.3131 48695.7011 0.99999 0.00488 -0.00165 -0.00486 0.99991 0.01246 0.00171 -0.01245 0.99992 1 0.00605 0.00229 0.00178 0.12613 0.04765 0.03706 8.89 14.72 23.94 29.47 40.30 50.64 71.85 74.51 85.35 99.55 126.61 139.57 165.61 177.40 181.10 211.02 239.26 265.52 276.48 335.39 343.69 361.98 378.61 394.59 398.07 437.14 444.64 455.57 459.95 478.61 483.77 528.86 537.04 544.56 571.49 586.47 595.95 631.78 654.89 662.28 676.33 697.74 712.85 713.63 759.35 782.91 797.19 827.21 851.82 872.72 884.66 897.96 919.13 996.14 1017.84 1031.24 1091.70 1139.26 1153.27 1173.40 1193.23 1202.11 1228.12 1235.38 1248.63 1258.75 1298.22 1316.49 1330.76 1355.03 1360.66 1364.05 1366.79 1387.15 1411.32 1426.24 1452.84 1456.21 1485.78 1559.68 1571.06 1573.98 1583.80 1598.47 1604.16 1606.92 1609.98 1614.95 1636.75 1668.67 1682.51 1691.42 1703.91 1715.33 1726.37 1732.02 1737.03 1748.73 1782.63 1816.44 1820.20 1849.03 1859.14 1865.30 1878.00 1880.71 1882.92 1891.13 1929.11 1950.79 1980.08 1994.14 2011.43 2026.98 2032.45 2041.22 2054.31 2062.89 2081.25 2102.17 2109.28 2111.16 2128.54 2136.19 2165.78 2188.04 2201.27 2205.60 2212.75 2221.23 2224.44 2241.55 2271.15 2273.24 2286.82 2309.83 2311.27 2346.10 2350.66 2353.36 2355.49 2359.46 2360.30 2366.44 2369.28 2377.32 2383.57 2386.20 2387.57 2392.20 2400.46 2408.08 2433.26 2503.91 2529.92 2549.60 2572.74 2633.41 2785.05 4589.68 4604.43 4608.11 4614.58 4623.42 4629.13 4647.58 4656.40 4690.13 4702.23 4704.73 4706.47 4710.44 4712.77 4714.81 4721.44 4725.99 4728.26 4747.32 4803.87 4841.34 4851.62 4873.80 4874.65 4878.81 4881.91 4882.55 4902.07 4913.17 4918.83 5317.71 5555.30 5579.92 0.602035 0.632291 0.633236 0.534037 -2173.065775 -2173.035518 -2173.034574 -2173.133773 3.327151D-04 MUNgauss RevisionA2.0 retrievium 15-Dec-2020 DUDE C[NH+](CCCNC(=O)c1c(c2ccc(cc2[nH]1)OC)Sc3ccc(cc3)Cl)C4CCCCC4 C09288653 RHF 6-31G(d) (6D,10F) C1 486.198202 |X|Y|Z| 141.780695 82.011414 33.365624 72.934031 28 6 7 16 24 3 1 |36.858105| |12.760851|53.358707| |9.393296|25.716387|0.500000| |7.739651|17.144621|0.258669|36.858105| |5.943706|10.293468|0.211599|12.491104|36.858105| |4.168852|6.701222|0.133669|7.568580|12.418450|36.858105| |3.392818|5.228884|0.110042|5.027552|7.733355|13.162347|53.358707| |3.034328|4.801840|0.104662|4.337683|6.075969|7.863510|18.927422|36.858105| |3.170081|5.272184|0.117480|4.695805|6.218217|7.045254|11.572253|15.850292|73.516695| |2.506506|3.810773|0.082811|3.262086|4.229975|5.096461|10.805383|12.869584|14.261370|36.858105| |2.165443|3.286740|0.071122|2.746198|3.342966|3.895923|7.112485|7.409897|10.937071|14.058234|36.858105| |1.943572|2.872721|0.061838|2.356297|2.826377|3.218706|5.708278|5.140271|7.665408|8.482556|13.185799|36.858105| |1.703298|2.496271|0.053474|2.014980|2.344029|2.615246|4.379472|3.761527|5.952340|5.254141|7.287089|13.658412|36.858105| |1.591110|2.294615|0.048988|1.834669|2.120628|2.334616|3.846216|3.148902|4.983208|4.167640|5.011955|7.966678|13.868547|36.858105| |1.651239|2.351359|0.050166|1.879545|2.197606|2.410474|4.013588|3.176377|4.911205|4.176975|4.544549|6.857394|7.876844|13.504941|36.858105| |1.862349|2.649716|0.056683|2.140320|2.569607|2.846126|4.932654|3.856003|5.713808|5.286896|5.261781|7.795175|6.754558|7.842471|13.798140|36.858105| |2.049246|2.975873|0.064006|2.445138|3.003257|3.413409|6.270026|5.230082|7.373525|8.491029|8.334985|13.644537|7.928251|6.940894|8.053775|13.722035|36.858105| |2.397437|3.511408|0.075788|2.955239|3.820366|4.474098|9.221401|7.663748|9.530287|13.702288|8.483936|8.504983|5.366170|4.646020|5.162300|7.626526|13.858418|53.358707| |2.572568|3.701943|0.080199|3.094033|4.100351|4.629628|9.442798|6.922045|8.880114|9.062376|6.030535|6.029099|4.316761|3.968942|4.582963|6.739161|9.136141|26.050753|0.500000| |1.528156|2.148947|0.045663|1.700564|1.961818|2.121516|3.435539|2.644759|4.159798|3.281251|3.448016|4.624366|5.199933|7.857302|14.189213|8.266250|5.340157|5.406246|0.103963|73.516695| |1.378926|1.939813|0.041119|1.524408|1.729118|1.857743|2.940777|2.272432|3.656078|2.745001|2.948826|3.797523|4.526712|6.718528|7.982937|5.270679|4.010125|4.281716|0.082286|24.129698|36.858105| |2.032245|3.142993|0.067603|2.606732|3.006303|3.447137|5.633255|5.609433|10.054181|6.781948|10.756133|6.652738|5.482236|3.936015|3.408226|3.617926|4.761962|6.535464|0.109253|4.888558|2.487036|388.023441| |1.956817|3.025060|0.066337|2.409571|2.735971|2.928301|4.614710|4.467321|8.621364|5.107175|6.862779|5.263104|4.761903|3.604000|3.117571|3.226382|4.011348|5.386891|0.095182|4.578593|2.372616|75.646265|36.858105| |2.149439|3.366762|0.075472|2.630166|2.998548|3.073355|4.764971|4.663752|9.666796|4.923387|5.697511|4.425136|3.871883|3.116426|2.831946|3.009789|3.695067|5.223721|0.096032|4.243658|2.182357|48.813777|13.706369|36.858105| |2.001947|3.098133|0.069749|2.344911|2.607596|2.591270|3.900199|3.578922|7.241190|3.724186|4.139310|3.545772|3.278191|2.764844|2.530039|2.633446|3.078279|4.260989|0.080842|3.892282|2.036628|33.355453|7.926332|13.781452|36.858105| |1.747799|2.661556|0.059008|2.013104|2.206924|2.221041|3.326128|2.957543|5.757196|3.160139|3.618020|3.275315|3.211055|2.741785|2.451270|2.468308|2.805658|3.740711|0.070714|3.810999|2.039001|29.749969|6.893120|7.969403|13.753650|36.858105| |1.638150|2.480999|0.054282|1.906973|2.092717|2.160662|3.266288|2.897604|5.498680|3.195419|3.850083|3.557266|3.647590|3.043182|2.619778|2.574347|2.925145|3.786100|0.070159|4.035172|2.185045|33.453359|7.912462|6.860600|7.913570|13.797387|36.858105| |1.717425|2.614612|0.056900|2.052846|2.281934|2.420134|3.732058|3.397197|6.373418|3.871896|5.024910|4.464403|4.542652|3.542791|2.967249|2.930274|3.449030|4.425878|0.079605|4.440473|2.372583|49.262109|13.741287|7.939680|6.876437|7.981962|13.738087|36.858105| |1.600578|2.405795|0.053252|1.781511|1.917820|1.895329|2.780774|2.381973|4.588368|2.495688|2.745340|2.575725|2.566053|2.294907|2.094514|2.092082|2.297815|3.066327|0.059321|3.352523|1.820733|21.523282|4.229413|4.774258|7.043997|10.944780|7.045581|4.773369|448.794386| |7.468065|16.904517|0.257666|7.542975|5.007368|3.845038|4.239091|2.976249|5.929063|2.429276|2.166055|1.897501|1.676585|1.539643|1.558546|1.726379|1.927416|3.018957|0.063663|2.542082|1.306109|15.254558|2.090228|2.319896|2.169213|1.882857|1.753011|1.830580|13.829646|36.858105| |6.608738|10.163274|0.183724|4.921728|3.771351|3.006105|3.480823|2.463439|4.808063|2.085558|1.885082|1.684023|1.508025|1.400156|1.421045|1.561479|1.715793|2.642693|0.055981|2.341709|1.210423|13.240566|1.846678|2.047749|1.960877|1.724565|1.598874|1.645640|12.943902|12.439667|36.858105| |4.356398|6.650181|0.125432|3.790057|3.021458|2.553046|3.011218|2.166552|4.241581|1.866165|1.720338|1.542031|1.397021|1.297191|1.305807|1.418582|1.552681|2.355775|0.049311|2.157574|1.124656|12.330197|1.730184|1.904574|1.843046|1.641515|1.525894|1.560632|12.449323|7.571100|12.400188|36.858105| |3.634591|5.910995|0.118128|3.552509|2.924698|2.515234|3.011677|2.225418|4.453755|1.919471|1.791163|1.591679|1.445421|1.332031|1.328228|1.435458|1.581318|2.386836|0.049442|2.183695|1.141787|13.095172|1.863962|2.071210|2.020318|1.792739|1.653619|1.681348|13.623211|6.428882|7.492186|12.466774|36.858105| |3.771788|6.704763|0.133151|4.254118|3.411035|2.953892|3.471038|2.588303|5.315610|2.182199|2.030973|1.771578|1.594493|1.452792|1.440911|1.563343|1.745821|2.658964|0.054625|2.347280|1.222887|15.059224|2.120025|2.360917|2.257295|1.977548|1.829675|1.883697|14.703874|7.537587|6.439863|7.572219|12.466853|36.858105| |4.974147|10.395491|0.211726|6.107318|4.632192|3.733731|4.256873|3.148760|6.592309|2.559882|2.320136|1.997932|1.766452|1.602461|1.600797|1.761615|1.988761|3.095424|0.064174|2.590634|1.335738|16.826929|2.347730|2.654090|2.487022|2.129421|1.960779|2.040285|15.547980|12.417721|7.562703|6.482331|7.530837|12.420002|36.858105| |17.670121|12.332571|0.220189|7.396307|6.752851|4.602689|5.144546|3.271798|5.894446|2.701763|2.291367|2.068809|1.798144|1.686484|1.769225|2.019606|2.219188|3.582760|0.079971|2.910342|1.464860|14.930490|2.004595|2.192391|2.026116|1.767447|1.662903|1.752856|12.916393|5.505176|4.845284|3.505678|3.059507|3.216672|4.159222|0.500000| |17.694561|12.243859|0.228460|5.618392|4.722758|3.472207|4.037274|2.731665|5.101566|2.309725|2.021817|1.830723|1.618463|1.519169|1.575484|1.764691|1.925197|3.023182|0.066166|2.606112|1.328735|13.546706|1.868410|2.067020|1.957579|1.714078|1.594601|1.653381|12.763726|6.703950|7.243697|4.601546|3.756097|3.687892|4.699581|0.300874|0.500000| |17.652927|12.318158|0.181804|6.849374|5.028154|3.846124|4.220405|2.752451|5.067143|2.300696|2.009222|1.813694|1.601644|1.501030|1.555152|1.742933|1.905850|3.005485|0.065280|2.570432|1.310751|13.531175|1.815453|1.966561|1.832127|1.617756|1.529344|1.606069|11.928101|6.941016|6.351928|4.406818|3.538794|3.637582|4.526805|0.299850|0.299279|0.500000| |7.631675|12.388541|0.183918|17.611113|8.715903|6.704131|6.140181|3.766272|6.925021|2.944817|2.504046|2.190423|1.891323|1.739577|1.791475|2.033661|2.289858|3.725858|0.079833|2.906311|1.468797|16.855754|2.168793|2.321431|2.083832|1.819798|1.741686|1.874805|13.029278|6.431584|4.568552|3.597403|3.254472|3.765542|4.934224|0.206185|0.149062|0.219417|0.500000| |5.705026|12.326062|0.207957|17.693171|8.889060|7.042607|6.521764|4.367278|8.843367|3.260886|2.804544|2.366518|2.031576|1.830387|1.849211|2.084215|2.400128|3.901697|0.081251|2.960033|1.501873|19.615988|2.534417|2.759606|2.441681|2.092856|1.987613|2.149521|14.768348|7.604310|4.741227|3.882845|3.808775|4.902503|7.137464|0.146396|0.126570|0.148498|0.302829|0.500000| |5.268443|9.553275|0.230037|8.911543|17.597230|8.938406|9.998152|6.856397|13.869003|4.624440|3.643275|3.012721|2.479044|2.217416|2.278205|2.659170|3.154578|5.466943|0.118543|3.584802|1.777712|23.363258|3.076968|3.496030|3.016046|2.485495|2.317349|2.518210|17.165836|4.914471|3.755160|3.033206|3.031359|3.565575|4.953796|0.158662|0.124909|0.120763|0.173041|0.212995|0.500000| |6.375213|9.193418|0.190182|8.762438|17.561085|8.850114|9.292397|5.221442|8.882847|3.941930|3.110543|2.723905|2.271637|2.092298|2.208154|2.606585|2.981377|5.160292|0.117997|3.541516|1.745395|19.354223|2.506163|2.731996|2.417682|2.069160|1.962815|2.122843|14.614099|4.433321|3.573545|2.835181|2.683380|3.004526|3.934781|0.232883|0.140627|0.146061|0.209191|0.173289|0.301501|0.500000| |4.044757|6.064356|0.116236|6.630525|8.810756|17.593226|12.609477|5.799823|9.055808|4.311218|3.409175|2.939474|2.434450|2.214366|2.311603|2.721094|3.169236|5.508134|0.117898|3.667264|1.808805|21.454887|2.563141|2.641152|2.269576|1.985006|1.948014|2.170481|13.784050|3.536103|2.833768|2.420641|2.338342|2.692189|3.301475|0.126177|0.092753|0.107836|0.190201|0.165461|0.174908|0.218248|0.500000| |3.810365|6.398433|0.125953|7.224058|8.837560|17.566955|12.459509|7.293147|13.150301|4.793681|3.875201|3.125257|2.572304|2.266175|2.289615|2.643130|3.177887|5.445348|0.109888|3.575349|1.783312|26.038403|3.052748|3.174695|2.651836|2.275537|2.225827|2.511347|15.488425|3.935429|3.012115|2.620294|2.631409|3.186259|3.986025|0.110757|0.089331|0.099847|0.175851|0.222689|0.207435|0.174121|0.302003|0.500000| |3.027159|4.489227|0.092987|4.186771|5.838382|9.084889|26.027455|9.417189|10.978534|7.593139|5.141747|4.375515|3.350914|2.986256|3.176278|3.984478|5.028056|10.214489|0.212914|4.826450|2.295926|27.990858|3.158113|3.156612|2.616003|2.282657|2.277748|2.612750|15.418298|2.732357|2.295665|2.009037|1.997000|2.268952|2.710330|0.094057|0.074178|0.078405|0.109966|0.110705|0.149750|0.155780|0.235479|0.194430|0.500000| |1.625972|2.398170|0.051299|1.928143|2.205531|2.448871|3.993231|3.455043|5.674429|4.559335|6.465810|8.863938|17.736817|8.963311|5.615297|4.891744|5.631161|5.908555|0.099847|7.453444|3.922189|42.084253|5.267529|4.020550|3.422067|3.467164|4.151209|5.403355|21.889755|1.631651|1.469269|1.372860|1.430913|1.582093|1.735648|0.047241|0.043016|0.042607|0.050218|0.054590|0.064975|0.058762|0.063160|0.068164|0.083473|0.500000| |1.462364|2.102867|0.044771|1.668702|1.899244|2.072207|3.330600|2.698955|4.368074|3.410975|4.046799|5.669436|9.009962|17.778198|8.825199|5.610565|4.991985|5.015256|0.090191|12.560243|7.511170|24.549423|3.257621|2.816605|2.563028|2.608847|2.935593|3.343926|17.874783|1.424371|1.303995|1.216375|1.250910|1.358055|1.483743|0.042815|0.038953|0.038485|0.044124|0.046386|0.055017|0.052033|0.054908|0.056305|0.071316|0.217441|0.500000| |1.890654|2.649090|0.056505|2.130411|2.562210|2.804561|4.796276|3.578158|5.312561|4.585085|4.281037|5.558957|4.892278|5.604853|8.951092|17.740926|8.786710|9.101666|0.187847|13.498797|4.869472|21.971479|2.796770|2.680569|2.384578|2.226099|2.284153|2.546206|15.455163|1.712837|1.557802|1.408017|1.412540|1.527932|1.725416|0.057483|0.049810|0.049178|0.056686|0.056901|0.072744|0.073735|0.075724|0.071134|0.108847|0.106519|0.123717|0.500000| |1.324379|1.848467|0.039090|1.445385|1.630587|1.739224|2.721648|2.072897|3.349034|2.448441|2.571339|3.189289|3.626029|4.901639|5.881036|4.438145|3.432546|3.820475|0.075090|17.005844|17.656942|15.605166|2.104759|1.965061|1.850700|1.849044|1.958799|2.099556|13.454159|1.245287|1.160511|1.078645|1.090597|1.161757|1.266124|0.039115|0.035544|0.035053|0.038872|0.039398|0.046331|0.046025|0.047375|0.046224|0.059025|0.089201|0.146592|0.121698|0.500000| |1.341430|1.893445|0.039954|1.495968|1.687131|1.830901|2.885130|2.227698|3.589325|2.682481|2.924559|3.745372|4.592598|6.721110|7.001855|4.768086|3.816474|4.106727|0.077790|16.421383|17.574021|17.893933|2.355444|2.133009|1.977884|1.990250|2.160868|2.372118|14.202515|1.280924|1.183925|1.104286|1.122612|1.205913|1.312065|0.039451|0.035795|0.035574|0.040154|0.041161|0.047977|0.047001|0.049681|0.049214|0.062833|0.113385|0.225646|0.119899|0.300118|0.500000| |1.357479|1.916750|0.040815|1.496511|1.692601|1.801812|2.841269|2.228086|3.630976|2.687072|2.931964|3.749899|4.596341|6.722851|7.002949|4.764763|3.814122|4.097833|0.078574|16.421628|17.574043|17.863868|2.467910|2.269237|2.144948|2.176342|2.342484|2.512196|15.676936|1.295798|1.203905|1.121309|1.143561|1.223364|1.333194|0.039899|0.036487|0.035744|0.039846|0.041070|0.048753|0.047281|0.048330|0.048252|0.060765|0.113477|0.225523|0.119685|0.300109|0.298632|0.500000| |2.443496|3.903335|0.088743|3.080013|3.595793|3.643324|5.678807|5.859366|13.312334|5.693907|5.965653|4.392071|3.650518|2.978031|2.790694|3.063580|3.833140|5.761489|0.107223|4.187109|2.121600|46.633289|8.925287|17.753966|8.926717|5.659778|4.948582|5.653257|31.608093|2.644199|2.290157|2.097504|2.277075|2.632733|3.051138|0.069405|0.064762|0.061410|0.073944|0.089935|0.120798|0.089219|0.084428|0.104412|0.100684|0.101519|0.073800|0.076814|0.053416|0.057437|0.060497|0.500000| |2.100181|3.257281|0.074376|2.409633|2.658771|2.562342|3.786184|3.400978|6.965381|3.412623|3.598109|3.123051|2.864252|2.482908|2.328765|2.449684|2.822448|3.985191|0.077524|3.636383|1.899030|27.569856|5.636385|8.907540|17.745561|8.926959|5.643587|4.956043|53.928996|2.288005|2.087125|1.956895|2.159005|2.392058|2.645034|0.058720|0.057646|0.052963|0.059063|0.069300|0.086478|0.068750|0.062267|0.072286|0.069924|0.081307|0.064048|0.062745|0.048440|0.050934|0.055364|0.214372|0.500000| |1.500137|2.251472|0.048947|1.723154|1.873075|1.933309|2.897094|2.509097|4.696501|2.759155|3.276586|3.140526|3.333144|2.868372|2.458332|2.369108|2.623295|3.355858|0.062655|3.852218|2.127370|27.695752|5.633015|4.948163|5.638894|8.929033|17.750538|8.894147|53.796429|1.599943|1.472126|1.414034|1.528325|1.675913|1.776034|0.042244|0.040686|0.039119|0.044100|0.049764|0.056943|0.049140|0.048993|0.055229|0.056702|0.106433|0.078943|0.058744|0.053163|0.058729|0.063844|0.107494|0.124259|0.500000| |1.611099|2.433856|0.052427|1.923427|2.127316|2.290012|3.528064|3.139919|5.736001|3.626254|4.780784|4.463536|4.847489|3.747211|3.036985|2.922206|3.387411|4.238718|0.075706|4.546249|2.466346|47.177620|8.917206|5.646063|4.955343|5.671542|8.937473|17.737266|31.628576|1.706866|1.537344|1.463070|1.566672|1.750037|1.882489|0.045746|0.042966|0.042164|0.049332|0.055911|0.064118|0.055214|0.057818|0.066137|0.069859|0.172921|0.100469|0.070046|0.060195|0.069692|0.072464|0.124265|0.107603|0.215008|0.500000| |6.535516|12.418789|0.183874|7.436271|4.711204|3.838969|4.137953|2.853844|5.595216|2.337485|2.092517|1.837807|1.629042|1.497795|1.514924|1.674091|1.864734|2.912357|0.061099|2.475228|1.274231|14.817022|1.994510|2.173112|2.017574|1.770822|1.669391|1.755035|12.974928|17.580011|8.855470|6.833888|5.661986|6.781045|8.783445|0.139571|0.154528|0.194256|0.199027|0.220663|0.121908|0.115502|0.101081|0.111592|0.075079|0.044108|0.038561|0.046153|0.033777|0.034870|0.034986|0.068177|0.058317|0.042511|0.045863|0.500000| |7.336254|9.202049|0.158947|4.647809|3.593129|2.890262|3.343020|2.321343|4.431499|1.982569|1.786278|1.611962|1.446617|1.352673|1.381417|1.519700|1.656640|2.548828|0.054342|2.289058|1.182694|12.413683|1.717023|1.883725|1.800683|1.596705|1.490862|1.537704|12.007937|8.770662|17.596499|8.881194|5.497570|4.838499|5.490975|0.144644|0.231695|0.217180|0.127549|0.119311|0.096220|0.097789|0.077597|0.079169|0.062020|0.039005|0.035022|0.042402|0.031618|0.032123|0.032568|0.058163|0.052884|0.038296|0.040142|0.214068|0.500000| |6.256463|9.332077|0.193471|4.492178|3.687237|2.900551|3.445607|2.471559|4.837378|2.108343|1.906038|1.707760|1.529634|1.422322|1.445586|1.588939|1.743070|2.679745|0.057015|2.383451|1.231211|13.308651|1.885569|2.117496|2.050690|1.794085|1.646063|1.680857|13.559280|8.836043|17.505361|8.829574|6.768346|5.679855|6.851323|0.132962|0.212157|0.152557|0.112417|0.118147|0.105631|0.098716|0.075056|0.079595|0.062958|0.041338|0.036783|0.044067|0.032798|0.033311|0.034132|0.065863|0.061420|0.042032|0.043356|0.173724|0.302084|0.500000| |4.099569|6.159253|0.111764|3.721232|2.916877|2.522810|2.945325|2.098438|4.074993|1.808884|1.670433|1.499294|1.360780|1.264506|1.272292|1.380291|1.508866|2.286470|0.047719|2.104571|1.098444|12.010485|1.664094|1.809060|1.737648|1.558058|1.462497|1.504596|11.768534|6.838005|8.848260|17.516804|8.844935|6.792994|5.675410|0.092669|0.115120|0.121449|0.101658|0.107408|0.079534|0.075795|0.067401|0.072608|0.054972|0.037182|0.032976|0.038066|0.029283|0.030060|0.030335|0.055123|0.050701|0.037754|0.039436|0.202120|0.216703|0.173663|0.500000| |3.875184|5.535611|0.107088|3.212448|2.660360|2.269541|2.724480|1.962259|3.800114|1.715899|1.589359|1.438957|1.311849|1.225592|1.236087|1.337757|1.452485|2.187375|0.045897|2.053665|1.073781|11.345414|1.602676|1.760463|1.721004|1.545035|1.435148|1.458134|11.850844|5.526899|8.889661|17.577123|8.807726|5.504298|4.863137|0.088562|0.118153|0.109021|0.085850|0.089549|0.074322|0.070809|0.060253|0.063995|0.050952|0.035804|0.032029|0.036995|0.028697|0.029244|0.029771|0.053379|0.050887|0.037132|0.038037|0.140555|0.216190|0.215644|0.304049|0.500000| |3.053074|4.793387|0.095367|3.020716|2.538788|2.244619|2.716680|2.012651|3.996083|1.759882|1.660212|1.484154|1.359037|1.255345|1.247428|1.338965|1.467890|2.194851|0.045251|2.057460|1.081512|12.242834|1.744404|1.918886|1.883238|1.693191|1.570246|1.590699|12.972690|4.841226|5.477921|8.843894|17.573132|8.836980|5.492447|0.073020|0.087142|0.084179|0.078534|0.090265|0.072589|0.065120|0.058521|0.065546|0.050551|0.037540|0.032904|0.036554|0.028728|0.029610|0.030110|0.057833|0.055585|0.040583|0.041379|0.127284|0.123697|0.139089|0.215488|0.210969|0.500000| |3.507973|5.627100|0.118317|3.334110|2.849172|2.428863|2.963177|2.215027|4.446287|1.925027|1.800372|1.603987|1.458602|1.345502|1.341679|1.448493|1.593370|2.397756|0.049770|2.206835|1.154332|13.120154|1.899801|2.138307|2.116330|1.870532|1.705105|1.716774|14.355895|5.614445|6.730475|8.848508|17.515733|8.852031|6.761228|0.083207|0.103712|0.091995|0.083609|0.097274|0.083866|0.073342|0.062255|0.069750|0.054495|0.040102|0.035113|0.039584|0.030628|0.031421|0.032228|0.065223|0.063736|0.043729|0.044154|0.130635|0.139194|0.198354|0.173650|0.214779|0.303683|0.500000| |3.575735|6.199704|0.117370|4.184096|3.284681|2.933802|3.400463|2.501929|5.070670|2.112246|1.970553|1.722126|1.553722|1.416898|1.404340|1.521098|1.695958|2.578839|0.052792|2.290633|1.195215|14.678697|2.027792|2.215130|2.096824|1.857205|1.742718|1.808884|13.751065|6.801551|5.638400|6.781504|8.836250|17.518777|8.844470|0.085271|0.094651|0.099536|0.106813|0.137484|0.092435|0.080184|0.075491|0.089373|0.062289|0.042881|0.036846|0.041307|0.031561|0.032873|0.033102|0.068138|0.060782|0.044538|0.047124|0.199890|0.126437|0.131153|0.198839|0.139121|0.215266|0.173616|0.500000| |3.219723|5.596322|0.115663|3.720445|3.149607|2.798582|3.371008|2.577075|5.368031|2.194705|2.073506|1.800230|1.627782|1.475108|1.450924|1.564677|1.752611|2.647726|0.053899|2.356781|1.232271|15.688794|2.244015|2.515606|2.426890|2.124436|1.953881|1.999119|15.819125|5.510945|4.842439|5.504046|8.804460|17.580037|8.888821|0.078807|0.087849|0.085361|0.091061|0.119630|0.093539|0.076930|0.070210|0.084617|0.061264|0.045193|0.038394|0.042194|0.032426|0.033794|0.034379|0.077400|0.071670|0.049626|0.051325|0.139601|0.106749|0.127454|0.139202|0.123217|0.210395|0.215076|0.303923|0.500000| 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