Version2.4 2021-05-25T20:16:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN(CC)c1ccc(cc1)NC(=O)CSc2nnc(n2CC(=O)[O-])c3ccc(cc3)C C13204805 RHF 6-31G(d) (6D,7F) CCN(CC)c1ccc(cc1)NC(=O)CSc2nnc(n2CC(=O)[O-])c3ccc(cc3)C C01[X(C23H26N5O3S1)] 168 C1 536 CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1CC(=O)[O-])c1ccc(cc1)C)CC CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1CC(=O)[O-])c1ccc(cc1)C)CC CCN(CC)c1ccc(NC(=O)CSc2nnc(n2CC([O-])=O)c3ccc(C)cc3)cc1 InChIKey=DTLMFXMYPCSOJG-UHFFFAOYSA-M InChI=1S/C23H27N5O3S/c1-4-27(5-2)19-12-10-18(11-13-19)24-20(29)15-32-23-26-25-22(28(23)14-21(30)31)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,24,29)(H,30,31)/p-1 InChI=1/C23H27N5O3S/c1-4-27(5-2)19-12-10-18(11-13-19)24-20(29)15-32-23-26-25-22(28(23)14-21(30)31)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,24,29)(H,30,31)/p-1/fC23H26N5O3S/h24H/q-1 CCN(CC)c1ccc(cc1)NC(=O)CSc2nnc(n2CC(=O)[O-])c3ccc(cc3)C C01[X(C23H26N5O3S1)] 168 C01 536 CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1CC(=O)[O-])c1ccc(cc1)C)CC CCN([C]1[CH][CH][C]([CH][CH]1)[NH][C](=O)CS[C]1[N][N][C]([N]1C[C]([O])=O)[C]1[CH][CH][C]([CH][CH]1)C)CC CCN(CC)[C]1[CH][CH][C]([CH][CH]1)NC(=O)CS[C]2[N][N][C]([C]3[CH][CH][C](C)[CH][CH]3)N2CC([O])=O InChIKey=WYXLTSNDFDFRIL-UHFFFAOYSA-N InChI=1S/C23H26N5O3S/c1-4-27(5-2)19-12-10-18(11-13-19)24-20(29)15-32-23-26-25-22(28(23)14-21(30)31)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,24,29) InChI=1/C23H26N5O3S/c1-4-27(5-2)19-12-10-18(11-13-19)24-20(29)15-32-23-26-25-22(28(23)14-21(30)31)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,24,29)/f/h24H 3186.3987793703 -1780.5084723 1-A 24539.6988 120 416 536 |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| -91.86513 -20.43656 -20.33234 -20.33117 -15.52856 -15.49480 -15.49272 -15.47809 -15.47284 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73.8629 81.9752 93.7493 113.6233 127.0841 135.5239 148.7648 177.2496 179.8254 213.5238 225.5414 230.7973 241.4266 265.1492 286.6433 298.8800 329.8743 339.2375 363.9776 364.9214 374.7081 404.1390 432.1965 439.7660 444.5145 448.9220 460.5931 469.4983 479.0986 531.1536 544.4915 562.6335 563.8712 591.3872 612.3539 624.6180 642.4320 678.0948 701.6079 702.9402 721.1891 765.6045 789.8291 792.0002 795.5048 805.7031 832.0597 853.1982 856.9389 860.5973 869.8012 869.9774 913.1322 924.2467 927.2398 936.7963 939.0312 970.7603 975.2971 985.0084 996.6004 1009.0896 1056.7563 1073.9474 1075.7597 1087.7542 1094.3612 1095.5318 1100.3532 1105.8115 1114.3328 1120.8249 1155.9072 1172.2351 1183.6671 1185.2526 1197.8366 1207.4687 1213.0893 1225.6329 1257.4339 1267.0312 1272.4674 1289.0979 1305.1475 1313.1517 1320.5778 1329.7738 1334.1981 1363.1714 1384.9205 1397.3318 1404.6029 1416.9172 1447.7600 1448.0692 1466.2597 1475.4444 1484.5292 1519.4630 1521.1730 1535.3098 1540.3175 1556.4021 1561.6409 1564.2054 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22.4600 93.2060 23.4755 10.3040 28.2343 33.6531 95.8474 5.1671 36.4516 30.6752 27.4043 12.8494 32.8180 16.0839 6.8094 21.9404 1.1561 614.4432 1.8429 3.0472 1.6065 1.4802 0.7837 0.6637 1.6878 1.5377 1.0177 3.0804 0.7508 2.2624 1.8471 0.2159 1.3972 1.4102 0.7250 1.0161 0.2141 1.0872 0.5397 0.1726 0.3771 0.3733 0.5449 1.8638 2.7317 0.6973 2.1799 0.8863 0.6832 0.8721 1.8901 2.3211 1.8616 2.5396 1.1400 1.3535 0.2629 3.8028 1.8802 7.0270 0.7641 0.8444 0.5015 0.5409 5.1704 2.1726 5.9719 6.7675 6.5899 12.0156 4.9436 4.1158 1.6229 4.4213 5.3232 4.3455 8.3276 8.0896 1.6615 5.5171 35.0229 3.1588 9.6772 10.6377 1.8059 0.3041 2.0778 8.9238 7.8282 5.1618 9.3467 1.7148 4.6323 3.2132 3.2149 1.9496 3.0922 14.8464 6.7581 7.0928 2.2986 1.7264 0.2275 36.0513 0.2879 5.3342 7.2566 1.5794 1.3311 15.6594 13.3313 27.5738 2.7763 0.8166 5.3432 18.3742 30.3771 1.4830 2.0695 21.9511 4.9412 6.8992 5.4158 10.2738 8.3218 18.7516 3.9748 8.3599 30.7114 3.1479 4.7913 12.3130 65.6338 10.9603 17.2816 3.4657 2.1098 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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 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 15.99491 15.99491 12.00000 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 9115.3323 36389.8128 41907.2358 0.99998 -0.00130 0.00574 0.00139 0.99988 -0.01567 -0.00572 0.01567 0.99986 1 0.00950 0.00238 0.00207 0.19799 0.04959 0.04307 17.90 20.90 27.48 30.43 44.92 62.64 71.90 75.28 91.45 96.17 101.08 106.27 117.94 134.88 163.48 182.85 194.99 214.04 255.02 258.73 307.21 324.50 332.07 347.36 381.49 412.42 430.02 474.62 488.09 523.68 525.04 539.12 581.47 621.83 632.73 639.56 645.90 662.69 675.50 689.32 764.21 783.40 809.50 811.28 850.87 881.04 898.69 924.32 975.63 1009.46 1011.37 1037.63 1101.53 1136.39 1139.51 1144.55 1159.23 1197.15 1227.56 1232.94 1238.21 1251.45 1251.70 1313.79 1329.78 1334.09 1347.84 1351.06 1396.71 1403.23 1417.21 1433.89 1451.85 1520.44 1545.17 1547.78 1565.04 1574.54 1576.23 1583.16 1591.02 1603.28 1612.62 1663.09 1686.58 1703.03 1705.31 1723.42 1737.28 1745.36 1763.41 1809.17 1822.98 1830.80 1854.72 1877.82 1889.33 1900.02 1913.25 1919.61 1961.30 1992.59 2010.45 2020.91 2038.63 2083.00 2083.45 2109.62 2122.84 2135.91 2186.17 2188.63 2208.97 2216.17 2239.32 2246.85 2250.54 2252.77 2254.38 2276.63 2286.39 2293.84 2350.04 2351.58 2353.86 2359.12 2359.52 2366.73 2367.27 2387.99 2399.97 2408.16 2432.94 2442.51 2488.55 2516.65 2554.47 2626.26 2630.13 2637.55 2773.60 2794.78 4596.27 4597.74 4600.95 4610.85 4633.24 4666.00 4672.46 4674.99 4697.52 4698.68 4702.36 4703.58 4711.12 4725.96 4732.82 4795.10 4806.15 4812.85 4834.49 4838.08 4881.00 4883.29 4889.71 4897.54 4970.57 5321.09 0.502573 0.532023 0.532967 0.435362 -1780.005899 -1779.976450 -1779.975505 -1780.073110 3.273688D-04 MUNgauss RevisionA2.1 retrievium 25-May-2021 DUDE CCN(CC)c1ccc(cc1)NC(=O)CSc2nnc(n2CC(=O)[O-])c3ccc(cc3)C C13204805 RHF 6-31G(d) (6D,10F) C1 452.175637 |X|Y|Z| 138.647355 64.511154 33.981809 67.235344 21 6 7 16 16 4 1 |36.858105| |12.439285|36.858105| |7.603350|13.179183|53.358707| |5.790422|7.744765|17.926889|36.858105| |4.236435|5.689490|10.388994|12.447782|36.858105| |5.717293|7.674245|18.551494|7.678742|5.643092|36.858105| |4.124151|5.060877|10.626119|6.557911|5.438242|13.648488|36.858105| |3.361939|3.875095|6.975586|4.446001|3.950187|7.817907|13.747427|36.858105| |3.315007|3.700702|6.119608|3.706842|3.274823|6.709165|7.906980|13.730539|36.858105| |4.004046|4.451579|6.991002|3.891524|3.326396|7.859723|6.958866|8.021300|13.715256|36.858105| |5.511290|6.568230|10.606162|5.068742|4.069604|13.625054|8.026736|6.907500|7.875455|13.795646|36.858105| |2.708367|2.929827|4.595653|2.917203|2.660216|4.488026|5.106928|7.684585|13.533354|7.971652|5.182989|53.358707| |2.331820|2.502417|3.923332|2.606938|2.429428|3.643515|4.306778|6.258581|7.684171|5.180547|3.901806|19.243087|36.858105| |2.264059|2.446041|3.914222|2.684821|2.532990|3.582986|4.477541|6.538251|6.525010|4.452138|3.604438|11.431477|15.812297|73.516695| |2.024234|2.135049|3.234960|2.167238|2.040183|2.877437|3.220200|4.189954|5.023726|3.992183|3.127657|10.700526|12.481333|14.299811|36.858105| |1.965755|2.009231|2.980163|1.996329|1.845387|2.598377|2.792535|3.436767|4.132692|3.598843|2.878057|7.791987|6.692163|9.143379|10.431604|388.023441| |2.035700|2.073834|3.000319|1.965077|1.813621|2.607604|2.685820|3.212312|4.044262|3.825339|3.014451|7.386054|5.251697|7.126222|6.933871|76.844171|36.858105| |2.256472|2.323427|3.343276|2.139628|1.968953|2.953361|2.981130|3.571502|4.755798|4.706263|3.550509|8.706667|5.403540|7.164615|6.232640|49.872727|14.763864|53.358707| |2.153277|2.196193|3.073574|1.966135|1.818804|2.638844|2.588624|2.964188|3.768923|3.967077|3.177668|6.179665|3.929117|5.595143|4.406564|35.170468|8.919146|19.141971|53.358707| |1.919093|1.934455|2.702940|1.761417|1.635431|2.278348|2.256208|2.559005|3.125192|3.206156|2.662696|5.076146|3.442504|5.041919|4.034971|35.156015|8.925116|12.152406|20.082167|36.858105| |1.851842|1.866624|2.652033|1.749834|1.623686|2.247223|2.277559|2.630215|3.183475|3.122062|2.575171|5.367320|3.842293|5.581531|4.833110|49.099812|14.126809|11.947388|11.907539|13.983658|53.358707| |1.650025|1.652406|2.345804|1.573948|1.467765|1.954995|1.994775|2.273109|2.646553|2.567439|2.185352|4.329885|3.238968|4.925065|4.065892|41.760768|7.559501|7.230499|7.201241|7.473726|17.719185|36.858105| |1.656540|1.631950|2.310933|1.558979|1.439496|1.910964|1.939348|2.181761|2.507295|2.456538|2.125396|3.976386|2.952594|4.595876|3.499216|36.503871|5.767484|5.941502|5.834512|5.504808|10.379097|12.229571|36.858105| |1.786518|1.751730|2.502594|1.687536|1.542882|2.086977|2.129260|2.414626|2.787127|2.706210|2.322086|4.436191|3.300047|5.120041|3.840474|43.046415|6.162904|6.270059|5.755671|4.996932|9.316960|8.147197|15.518121|73.516695| |1.531892|1.501609|2.107780|1.429911|1.325407|1.719160|1.733096|1.918580|2.170067|2.149638|1.898339|3.356094|2.480779|3.941023|2.867298|27.502088|4.284212|4.769574|4.883691|4.545096|7.493950|8.093736|15.502619|15.115698|73.516695| |1.760499|1.760915|2.421030|1.588611|1.483451|1.995424|1.954132|2.160241|2.557489|2.665073|2.303830|3.967832|2.719653|4.134701|3.091879|25.828462|5.318167|7.280268|10.640666|12.875815|10.206213|6.019981|4.823754|7.360788|7.922624|36.858105| |1.728039|1.742388|2.370808|1.551555|1.461551|1.937229|1.881299|2.055144|2.412632|2.545622|2.235051|3.665481|2.489926|3.827049|2.766412|21.630654|4.194669|6.153759|8.883248|7.726992|7.020176|4.302312|3.571911|5.672006|6.023823|13.655938|36.858105| |1.589360|1.592934|2.148170|1.417258|1.340630|1.727506|1.671338|1.798650|2.067481|2.184318|1.966587|3.073614|2.109794|3.311183|2.310220|17.919799|3.251734|4.648374|6.072681|5.087497|5.292996|3.526780|3.082064|4.879485|5.439765|7.900007|13.813598|36.858105| |1.496003|1.483773|2.001689|1.331415|1.255820|1.599497|1.551374|1.662989|1.891708|1.986782|1.803982|2.800422|1.945358|3.083164|2.131542|16.928744|2.984720|4.104899|5.112986|4.444143|4.939042|3.505568|3.196849|4.955448|5.906109|6.782631|7.897316|13.673963|36.858105| |1.518581|1.496818|2.033731|1.355780|1.270667|1.633611|1.593040|1.718988|1.961675|2.045121|1.842086|2.932492|2.051398|3.240109|2.272714|18.750420|3.326526|4.405060|5.412984|5.032831|5.763022|4.275901|4.007950|5.973324|7.669953|7.918035|6.917963|7.997885|13.753857|36.858105| |1.638694|1.619127|2.220272|1.472421|1.372532|1.808184|1.772447|1.939658|2.250228|2.333523|2.057881|3.435096|2.397289|3.721147|2.705023|23.177822|4.366446|5.625151|7.129517|7.548902|8.267868|5.963119|5.341971|7.672610|9.684508|13.711584|7.953038|6.883898|7.868912|13.717699|36.858105| |1.370612|1.356278|1.819605|1.219025|1.155359|1.436813|1.391572|1.476026|1.653696|1.735209|1.602158|2.413473|1.686423|2.711633|1.825488|14.263413|2.414039|3.317829|3.959008|3.285985|3.846793|2.792551|2.622162|4.136517|4.924118|4.410105|5.018339|7.550860|12.606960|7.540447|4.999040|36.858105| |17.544779|8.776675|9.296784|6.157242|4.345429|5.058877|3.904603|3.169592|3.038636|3.504019|4.578202|3.420007|2.209361|3.871592|1.920349|13.307078|1.905499|2.828982|2.684943|1.780583|2.365079|1.565874|1.583207|3.044585|2.610853|1.636771|1.597840|1.476057|1.399862|1.427194|1.536985|1.288000|0.500000| |17.581848|8.757699|9.279146|5.068556|3.741372|6.008536|4.300367|3.610021|3.683205|4.619896|6.404090|4.070577|2.532218|4.311580|2.192476|15.352197|2.250322|3.412984|3.242424|2.111178|2.770828|1.800096|1.817848|3.513735|2.971798|1.920993|1.868187|1.705663|1.606501|1.641647|1.785771|1.460506|0.302193|0.500000| |17.521708|8.790645|7.559969|4.526707|3.622200|4.465169|3.398718|2.878025|2.890923|3.474186|4.519697|3.311204|2.110547|3.623056|1.866674|12.983144|1.913679|2.886092|2.805004|1.846007|2.401583|1.577668|1.583587|3.009812|2.623341|1.716904|1.699930|1.577719|1.486413|1.499414|1.603525|1.370577|0.301227|0.300774|0.500000| |8.880206|17.540418|12.610483|7.512365|6.250714|5.755511|4.288198|3.349026|3.146058|3.617534|4.882670|3.491862|2.242570|3.940510|1.936277|12.919416|1.866052|2.817709|2.682822|1.754104|2.307100|1.514887|1.494381|2.833513|2.460248|1.612405|1.604834|1.479833|1.381723|1.387967|1.489772|1.272853|0.212161|0.173154|0.213542|0.500000| |8.828238|17.590905|12.500403|5.741293|4.778260|7.216111|4.799568|3.858638|3.852555|4.845028|7.229223|4.169801|2.570470|4.388439|2.207174|14.698939|2.176382|3.377410|3.225458|2.059592|2.668183|1.717498|1.680183|3.185797|2.745134|1.875837|1.874408|1.707667|1.575547|1.578354|1.707402|1.435690|0.172881|0.208588|0.213411|0.306117|0.500000| |4.913302|5.784374|12.470420|17.588790|8.829625|7.291625|7.277760|4.884504|3.895765|3.911748|4.850900|4.167032|2.777437|5.183091|2.278923|14.931304|2.026162|2.968942|2.692643|1.781895|2.439265|1.618745|1.611677|3.126670|2.618046|1.596359|1.544553|1.406728|1.327033|1.360549|1.484696|1.212025|0.148552|0.128436|0.108152|0.149003|0.128251|0.500000| |6.440889|7.599573|12.574807|17.542638|8.889558|5.787222|4.892066|3.626465|3.164668|3.379314|4.321508|3.497264|2.313834|4.205681|1.964494|13.112938|1.824856|2.688035|2.500194|1.659392|2.237508|1.488801|1.485858|2.853642|2.439121|1.511421|1.477499|1.359652|1.284125|1.307294|1.411498|1.181960|0.214043|0.146595|0.140121|0.223852|0.149602|0.306003|0.500000| |4.298519|5.999317|9.357305|8.788381|17.543642|4.993650|4.527563|3.455263|2.994719|3.125254|3.842387|3.361874|2.242551|4.093630|1.913904|12.373333|1.735068|2.577717|2.412420|1.592246|2.131721|1.414716|1.383711|2.618997|2.274862|1.455868|1.446309|1.332831|1.245588|1.252745|1.345778|1.150189|0.119479|0.102218|0.105724|0.204768|0.143177|0.172965|0.212327|0.500000| |3.729256|4.971780|9.321017|8.767761|17.576454|5.889388|6.263034|4.514706|3.605294|3.541767|4.209875|3.956677|2.665437|4.996045|2.206971|13.887362|1.908280|2.827557|2.588112|1.701731|2.306911|1.526349|1.484419|2.826405|2.418903|1.532985|1.510965|1.378589|1.285668|1.300228|1.409822|1.178662|0.102923|0.095175|0.089538|0.142742|0.124250|0.208928|0.173312|0.302111|0.500000| |3.643564|4.480946|7.571337|8.786546|17.518207|4.429452|4.472779|3.438734|2.866248|2.859290|3.370845|3.256480|2.232406|4.185248|1.895550|12.267838|1.679439|2.451437|2.268455|1.514378|2.058459|1.380457|1.359819|2.589606|2.234696|1.380033|1.356668|1.250538|1.177873|1.193936|1.285591|1.088172|0.107561|0.090335|0.088432|0.137166|0.106081|0.213062|0.213738|0.300967|0.300609|0.500000| |3.781608|4.622013|9.647870|7.359408|6.525590|8.866618|17.758336|9.050235|5.670561|5.000869|5.669035|5.661482|3.760572|7.266901|2.891295|17.869503|2.380288|3.520767|3.094745|2.017097|2.787691|1.824526|1.780522|3.460309|2.850806|1.768203|1.706641|1.530797|1.429048|1.465873|1.618719|1.291744|0.103493|0.105511|0.087493|0.115210|0.117527|0.248403|0.146150|0.139298|0.221163|0.151702|0.500000| |2.874854|3.254621|5.679413|3.893980|3.620604|5.612625|8.958546|17.817155|8.934609|5.684855|4.977903|9.475702|6.810220|14.958271|4.419963|24.749156|3.104366|4.539199|3.753213|2.430142|3.465909|2.238292|2.142318|4.211894|3.349465|2.056043|1.949160|1.712260|1.590850|1.648857|1.858148|1.416300|0.076889|0.084479|0.069546|0.080749|0.089254|0.121187|0.089880|0.087529|0.116303|0.090657|0.220233|0.500000| |3.660969|3.895317|5.679910|3.263422|2.842981|5.623024|4.995365|5.679973|8.927955|17.702000|8.976810|10.036305|4.857916|7.118861|4.040166|27.102145|4.371314|7.829110|6.690719|3.783025|4.849323|2.836827|2.692471|5.240964|4.164859|3.089697|2.942810|2.478464|2.229899|2.296043|2.651521|1.920327|0.088526|0.118568|0.091513|0.089661|0.120343|0.090260|0.081384|0.075737|0.082905|0.069048|0.108314|0.124573|0.500000| |6.557575|7.373519|9.595897|4.623733|3.735396|8.838786|5.665554|4.975290|5.655773|9.050633|17.768037|5.769048|3.301671|5.398048|2.775485|18.719213|2.832779|4.551461|4.244593|2.620241|3.378650|2.111837|2.065829|3.977883|3.312945|2.311458|2.265380|2.009930|1.842987|1.870302|2.071428|1.642837|0.139484|0.222200|0.152861|0.146373|0.249477|0.118462|0.116007|0.101856|0.103605|0.086839|0.123743|0.108035|0.220552|0.500000| |2.641781|2.811886|4.252358|2.672643|2.435851|4.031740|4.271512|5.713330|9.287166|7.616804|4.909434|25.812589|9.513058|10.859248|7.691213|44.712302|6.943968|12.852689|8.112918|4.592232|6.480629|3.619989|3.251490|6.398932|4.815605|3.429752|3.133137|2.560855|2.305757|2.420664|2.888235|1.955194|0.067404|0.081726|0.066893|0.068370|0.083001|0.076641|0.066514|0.063860|0.072860|0.060954|0.098113|0.142338|0.234776|0.117348|0.500000| |1.860828|1.962533|2.979222|2.036565|1.939651|2.600261|2.945560|3.748330|4.174841|3.356641|2.743912|7.885624|9.074384|13.967540|17.639776|57.252754|5.278439|6.348681|4.885118|3.413044|5.550692|3.687158|3.222228|6.218540|4.786269|2.729670|2.464840|2.101552|1.960624|2.088014|2.445098|1.700848|0.049523|0.055432|0.047771|0.049981|0.055871|0.059798|0.051433|0.050417|0.058377|0.050602|0.075497|0.114303|0.092494|0.068026|0.150781|0.500000| |1.977119|2.101248|3.141877|2.087302|1.985908|2.775505|3.042051|3.862709|4.695100|3.897376|3.058283|9.643033|8.840427|10.996831|17.613328|56.243163|7.121554|9.394792|6.718753|4.411488|6.930973|4.128429|3.384761|6.332850|4.994290|3.346428|3.048832|2.506508|2.268267|2.386296|2.841150|1.929250|0.051679|0.059174|0.051075|0.053128|0.061154|0.060068|0.052631|0.052322|0.059793|0.051026|0.075736|0.110327|0.112438|0.076348|0.211544|0.300781|0.500000| |1.595358|1.609639|2.306937|1.559895|1.463308|1.926242|1.996070|2.296633|2.641708|2.496984|2.123931|4.387854|3.423933|5.246650|4.511235|47.028118|7.082764|6.669281|6.206349|5.767281|12.577799|17.602063|8.791961|12.518966|11.342744|4.679698|3.644843|3.051854|3.000211|3.507836|4.520007|2.468242|0.042251|0.048078|0.042192|0.041130|0.046281|0.044775|0.040831|0.039029|0.042481|0.038350|0.051031|0.063834|0.075164|0.056368|0.099664|0.117473|0.125734|0.500000| |1.552567|1.555817|2.189800|1.471642|1.380932|1.806700|1.830694|2.059613|2.374000|2.331664|2.014176|3.803542|2.818926|4.351475|3.452970|32.007265|5.736495|6.169116|6.632342|7.068669|12.529993|17.681966|8.641923|10.449525|13.589169|6.773751|4.794547|3.998252|4.060079|5.081912|7.154240|3.171044|0.040888|0.046768|0.041540|0.039843|0.045073|0.041789|0.038807|0.037185|0.039824|0.036123|0.046741|0.056246|0.071556|0.054571|0.087747|0.088432|0.100093|0.301802|0.500000| |1.804295|1.842272|2.508734|1.630625|1.542960|2.061927|1.999758|2.191650|2.594543|2.749133|2.395157|3.948788|2.646858|4.038992|2.918530|21.904593|4.263433|6.641467|9.817614|7.223627|6.658215|3.919515|3.228528|5.283355|5.326435|8.931256|17.743196|8.932720|5.628265|4.977378|5.661023|4.092720|0.046058|0.054023|0.049234|0.047082|0.055558|0.044895|0.042896|0.042516|0.044532|0.039583|0.050156|0.057483|0.088911|0.067306|0.094599|0.071568|0.091401|0.095674|0.116620|0.500000| |1.551020|1.562421|2.095142|1.383290|1.316749|1.673351|1.613602|1.723472|1.965207|2.082833|1.896411|2.887567|1.979398|3.130928|2.141506|16.178788|2.861936|4.153265|5.268190|4.149573|4.474419|2.987563|2.635850|4.252556|4.641938|5.632944|8.961040|17.682339|8.893111|5.665980|4.954985|7.004053|0.039949|0.045902|0.042994|0.040537|0.046717|0.037943|0.036903|0.036552|0.037607|0.034110|0.041187|0.045557|0.065167|0.054067|0.066192|0.054437|0.064779|0.073879|0.092258|0.216096|0.500000| |1.439223|1.410518|1.915989|1.286005|1.204891|1.529305|1.493856|1.604003|1.810930|1.879998|1.709199|2.687815|1.896242|3.027088|2.090011|17.321660|2.956966|3.855910|4.541334|4.101026|5.007604|3.894348|3.868092|5.750569|7.824829|5.651027|4.974455|5.664099|8.920671|17.704617|8.964933|6.974058|0.037795|0.043137|0.039522|0.036450|0.041057|0.035926|0.034584|0.032970|0.034143|0.031582|0.038393|0.042904|0.057984|0.048197|0.060858|0.053923|0.060182|0.090340|0.126866|0.107924|0.124194|0.500000| |1.630612|1.602148|2.210786|1.473682|1.367688|1.803026|1.778434|1.953055|2.257251|2.316615|2.040081|3.461178|2.445100|3.806852|2.776297|24.837968|4.549606|5.544304|6.551849|6.861354|8.800763|7.132574|7.167834|9.526077|13.729964|8.846260|5.632499|4.959252|5.637438|8.966151|17.730250|4.096173|0.042742|0.049529|0.044106|0.040894|0.046554|0.041546|0.039277|0.037065|0.038977|0.035696|0.045205|0.052220|0.072494|0.056684|0.080235|0.070066|0.079233|0.142035|0.230483|0.123921|0.107584|0.218794|0.500000| 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