Version2.0 2020-07-26T10:48:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 18-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE OC(=O)COc3ccc(S(=O)(=O)N(Cc1ccccc1)Cc2ccc(C(F)(F)P(O)(O)=O)cc2)cc3 330153 CHEMBL372973 RHF 6-31G(d) (6D,7F) OC(=O)COc3ccc(S(=O)(=O)N(Cc1ccccc1)Cc2ccc(C(F)(F)P(O)(O)=O)cc2)cc3 C01[X(C23H22F2N1O8P1S1)] 168 C1 592 OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(P(=O)(O)O)(F)F)Cc1ccccc1 OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(P(=O)(O)O)(F)F)Cc1ccccc1 OC(=O)COc1ccc(cc1)[S](=O)(=O)N(Cc2ccccc2)Cc3ccc(cc3)C(F)(F)[P](O)(O)=O InChIKey=AQRKVSQSALSZQC-UHFFFAOYSA-N InChI=1S/C23H22F2NO8PS/c24-23(25,35(29,30)31)19-8-6-18(7-9-19)15-26(14-17-4-2-1-3-5-17)36(32,33)21-12-10-20(11-13-21)34-16-22(27)28/h1-13H,14-16H2,(H,27,28)(H2,29,30,31) InChI=1/C23H22F2NO8PS/c24-23(25,35(29,30)31)19-8-6-18(7-9-19)15-26(14-17-4-2-1-3-5-17)36(32,33)21-12-10-20(11-13-21)34-16-22(27)28/h1-13H,14-16H2,(H,27,28)(H2,29,30,31)/f/h27,29-30H OC(=O)COc3ccc(S(=O)(=O)N(Cc1ccccc1)Cc2ccc(C(F)(F)P(O)(O)=O)cc2)cc3 C01[X(C23H22F2N1O8P1S1)] 168 C01 592 OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(P(=O)(O)O)(F)F)Cc1ccccc1 OC(=O)CO[C]1[CH][CH][C]([CH][CH]1)[S@@]([O])(=O)N(C[C]1[CH][CH][C]([CH][CH]1)C(P(=O)(O)O)(F)F)C[C]1[CH][CH][CH][CH][CH]1 [O][S](=O)([C]1[CH][CH][C]([CH][CH]1)OCC(O)=O)N(C[C]2[CH][CH][CH][CH][CH]2)C[C]3[CH][CH][C]([CH][CH]3)C(F)(F)[P](O)(O)=O InChIKey=AQRKVSQSALSZQC-UHFFFAOYSA-N InChI=1S/C23H22F2NO8PS/c24-23(25,35(29,30)31)19-8-6-18(7-9-19)15-26(14-17-4-2-1-3-5-17)36(32,33)21-12-10-20(11-13-21)34-16-22(27)28/h1-13H,14-16H2,(H,27,28)(H2,29,30,31) InChI=1/C23H22F2NO8PS/c24-23(25,35(29,30)31)19-8-6-18(7-9-19)15-26(14-17-4-2-1-3-5-17)36(32,33)21-12-10-20(11-13-21)34-16-22(27)28/h1-13H,14-16H2,(H,27,28)(H2,29,30,31)/f/h27,29-30H 4284.2882029253 -2474.2417759 1-A 26906.0909 140 452 592 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72.1338 81.3228 93.5994 96.1007 136.6536 147.0409 148.7489 157.3758 188.4845 190.1326 191.5180 212.1466 229.2026 247.5782 267.5633 272.5572 292.2347 308.6530 313.4601 325.6672 327.1579 339.6656 345.5483 380.4977 403.9614 416.1988 418.7510 428.1650 456.2369 457.6170 458.4444 460.8312 468.6008 514.0128 532.3434 552.0279 559.4167 566.3120 570.1334 583.3825 603.8465 615.0044 626.2950 650.6502 665.5556 679.3730 686.5815 696.9857 698.5023 714.1348 737.2891 759.0802 780.9909 793.4230 806.2507 835.2878 848.2716 882.5850 891.9207 919.5618 927.2850 928.8881 946.9835 963.6106 967.0482 972.1823 992.5981 999.2864 1001.4384 1021.7413 1060.6827 1076.3744 1089.1848 1094.2781 1095.8312 1104.8544 1105.4671 1111.3606 1112.1831 1122.4830 1125.5261 1130.5915 1131.2871 1135.7657 1152.8848 1166.8195 1187.2788 1193.6246 1200.7340 1215.6584 1228.5820 1230.0796 1256.3420 1261.0641 1276.8661 1280.9239 1301.4089 1303.2641 1306.6943 1315.9569 1319.0666 1324.8374 1329.5113 1337.6471 1341.4072 1397.8703 1400.9836 1417.5940 1437.6303 1444.4865 1454.8059 1455.4027 1459.0332 1464.5864 1481.0402 1514.3407 1529.8421 1554.5129 1572.4803 1579.2612 1611.4815 1622.7841 1644.3031 1645.4290 1646.8018 1672.7119 1683.7164 1695.9904 1771.2412 1772.8421 1786.1378 1803.1506 1812.0529 1825.6623 2075.4620 3223.9186 3238.0877 3269.9997 3273.5806 3293.0013 3346.7267 3354.5710 3360.3884 3365.5486 3372.6121 3379.8307 3386.0279 3398.5879 3400.0021 3402.1327 3405.4616 3407.0639 3416.0654 3424.4187 4053.7205 4070.3166 4084.4184 9.3441 8.1392 6.9986 7.6711 6.1626 6.1793 4.5447 6.6515 6.3741 6.3805 6.8844 6.2036 5.0125 6.4457 6.4247 3.2883 2.3916 4.3425 4.4073 7.8150 4.3587 5.9028 8.5785 5.2611 4.4805 3.4334 2.6731 2.7853 4.4003 7.1689 8.5379 9.2542 4.3045 3.4157 5.2586 5.2840 4.3466 2.5564 4.2490 5.0423 3.0677 4.2066 3.1134 4.0320 3.4583 5.5223 5.3326 8.1749 1.9216 2.4979 5.5546 5.1082 5.9263 6.6228 5.2875 5.1830 6.2410 5.7992 6.5853 6.5653 1.8084 4.6085 5.2466 2.3571 3.9003 4.0473 1.8342 3.9471 3.3455 4.4621 6.0814 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.99491 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 30.97376 15.99491 15.99491 15.99491 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 20546.0420 33359.4970 47807.7077 0.99973 0.02278 -0.00374 -0.02273 0.99968 0.01127 0.00400 -0.01118 0.99993 1 0.00422 0.00260 0.00181 0.08784 0.05410 0.03775 11.77 21.43 25.42 27.00 36.67 51.27 58.22 68.93 70.54 73.22 85.30 103.78 117.01 134.67 138.27 196.61 211.56 214.02 226.43 271.19 273.56 275.55 305.23 329.77 356.21 384.96 392.15 420.46 444.08 451.00 468.56 470.71 488.70 497.17 547.45 581.21 598.82 602.49 616.03 656.42 658.41 659.60 663.03 674.21 739.55 765.92 794.25 804.88 814.80 820.29 839.36 868.80 884.85 901.10 936.14 957.59 977.47 987.84 1002.81 1004.99 1027.48 1060.79 1092.15 1123.67 1141.56 1160.01 1201.79 1220.47 1269.84 1283.27 1323.04 1334.16 1336.46 1362.50 1386.42 1391.37 1398.75 1428.13 1437.75 1440.85 1470.06 1526.09 1548.66 1567.09 1574.42 1576.66 1589.64 1590.52 1599.00 1600.18 1615.00 1619.38 1626.67 1627.67 1634.11 1658.74 1678.79 1708.23 1717.36 1727.59 1749.06 1767.66 1769.81 1807.60 1814.39 1837.13 1842.96 1872.44 1875.11 1880.04 1893.37 1897.84 1906.15 1912.87 1924.58 1929.99 2011.22 2015.70 2039.60 2068.43 2078.29 2093.14 2094.00 2099.22 2107.21 2130.89 2178.80 2201.10 2236.60 2262.45 2272.20 2318.56 2334.82 2365.79 2367.41 2369.38 2406.66 2422.49 2440.15 2548.42 2550.72 2569.85 2594.33 2607.14 2626.72 2986.13 4638.50 4658.89 4704.80 4709.95 4737.89 4815.19 4826.48 4834.85 4842.27 4852.44 4862.82 4871.74 4889.81 4891.84 4894.91 4899.70 4902.01 4914.96 4926.97 5832.40 5856.28 5876.57 0.465610 0.497870 0.498815 0.394386 -2473.776166 -2473.743906 -2473.742961 -2473.847390 3.502566D-04 MUNgauss RevisionA2.0 retrievium 26-Jul-2020 DUDE OC(=O)COc3ccc(S(=O)(=O)N(Cc1ccccc1)Cc2ccc(C(F)(F)P(O)(O)=O)cc2)cc3 330153 CHEMBL372973 RHF 6-31G(d) (6D,10F) C1 541.077184 |X|Y|Z| 96.718832 125.555127 42.277856 80.073009 22 6 7 16 20 1 1 |73.516695| |25.461111|36.858105| |15.278299|16.143234|73.516695| |14.597374|12.604693|14.047612|36.858105| |9.641855|8.088777|12.611359|13.723993|73.516695| |7.248921|5.243248|8.410932|8.046822|25.217547|36.858105| |5.813907|4.098384|7.137942|5.279362|14.636368|13.627655|36.858105| |4.804486|3.209501|5.548194|4.000965|9.458595|7.944075|13.893498|36.858105| |4.625073|2.986511|4.995265|3.804479|8.247383|6.885648|7.952178|13.648044|36.858105| |3.743191|2.341015|3.964336|2.825035|5.766951|4.202475|4.732542|6.924082|10.779993|388.023441| |3.645377|2.229210|3.713936|2.694988|5.258354|3.722908|3.839164|4.932741|7.418749|94.435277|73.516695| |3.485783|2.178778|3.742371|2.566692|5.244853|3.684092|4.268536|6.006067|7.272945|94.494250|13.687537|73.516695| |3.461482|2.163826|3.721793|2.544064|5.201769|3.641600|4.223683|5.904745|7.054482|82.825149|13.437685|13.798370|53.358707| |3.530187|2.193644|3.751569|2.578401|5.190879|3.574105|3.963633|5.060640|5.923544|50.631987|11.012278|8.868128|17.726257|36.858105| |3.120948|1.901485|3.251386|2.189182|4.268614|2.822357|3.018647|3.619335|4.153506|36.439872|9.166334|7.083940|10.326295|12.549294|36.858105| |2.930103|1.777352|3.065082|2.006784|3.886289|2.497126|2.665390|3.070582|3.331045|27.065645|6.673141|5.634527|7.148011|7.576259|13.731628|36.858105| |2.655010|1.590978|2.742869|1.775002|3.379992|2.132893|2.239759|2.525261|2.734408|22.180989|5.665999|4.791213|5.396029|5.013996|7.893207|13.722317|36.858105| |2.551113|1.517536|2.601421|1.696763|3.199672|2.021086|2.097700|2.369637|2.622798|21.881770|5.844403|4.764155|5.068361|4.424240|6.832293|7.942784|13.780271|36.858105| |2.673479|1.592211|2.711645|1.802388|3.402270|2.181868|2.256916|2.595917|2.972465|26.042455|7.318067|5.550788|5.904649|5.004858|7.914173|6.899207|7.953699|13.721425|36.858105| |2.954092|1.778378|3.020475|2.045639|3.917807|2.574615|2.691696|3.195725|3.785110|35.100714|9.980145|6.987365|8.443213|7.509022|13.678935|7.955438|6.871154|7.919932|13.773680|36.858105| |3.075286|1.912773|3.339262|2.187033|4.440939|2.983169|3.492818|4.600654|4.866535|50.161113|9.306267|12.077906|17.664497|7.545971|6.167859|4.870473|3.855941|3.616689|4.066439|5.298367|36.858105| |3.076815|1.933784|3.435729|2.175452|4.493348|2.961302|3.608151|4.626197|4.334416|36.846723|6.957080|9.431489|10.381810|5.759071|4.670806|4.168787|3.352334|3.032270|3.210634|3.896775|12.567147|36.858105| |2.944098|1.842941|3.296545|2.041661|4.176850|2.680269|3.196648|3.836541|3.565349|28.252950|5.754113|6.882513|7.678498|5.197422|4.523806|4.466213|3.583100|3.094402|3.113734|3.635662|7.536983|13.720589|36.858105| |2.881672|1.809745|3.285505|1.967727|4.035035|2.522920|3.021203|3.452341|3.083617|23.010578|4.781149|5.740929|5.642043|3.922311|3.466332|3.520366|2.958403|2.577802|2.556087|2.889259|5.005271|7.893664|13.748715|36.858105| |2.937979|1.858695|3.410291|2.006580|4.159683|2.581193|3.157296|3.562497|3.063714|22.276329|4.568288|5.795808|5.105967|3.399129|2.947234|2.896082|2.481396|2.226792|2.249391|2.541543|4.421433|6.821337|7.933361|13.735802|36.858105| |2.801534|1.766872|3.285012|1.865953|3.829956|2.305534|2.758197|2.956473|2.551527|18.067309|3.824493|4.689437|3.959602|2.720850|2.421663|2.421932|2.132418|1.925754|1.925147|2.128256|3.275281|4.429766|5.035263|7.593910|12.634003|36.858105| |2.952586|1.877836|3.535505|1.964915|4.070652|2.418396|2.922680|3.047451|2.565559|17.622843|3.723173|4.621388|3.713753|2.531504|2.222385|2.186511|1.929319|1.762867|1.781010|1.975655|2.971151|3.860514|4.054767|5.336158|8.135123|14.137300|97.533100| |2.794700|1.758141|3.278678|1.841998|3.754659|2.232211|2.625988|2.754276|2.398234|16.736010|3.605557|4.217582|3.698568|2.647448|2.383205|2.444651|2.158634|1.921200|1.890409|2.072077|2.973872|3.866135|4.642498|6.949226|8.149379|14.168843|19.763400|97.533100| |2.442124|1.517600|2.808376|1.590747|3.195618|1.908679|2.214661|2.369658|2.120968|15.431184|3.348102|4.071178|3.320513|2.275614|2.102462|2.116198|1.921149|1.763040|1.754738|1.898106|2.793346|3.551079|3.927900|5.218459|6.673751|10.291999|16.628825|16.599907|332.344906| |2.321059|1.431971|2.623003|1.511706|3.010908|1.813572|2.080226|2.260442|2.074012|15.501224|3.397097|4.050464|3.421898|2.366983|2.244894|2.299440|2.109364|1.925319|1.892740|2.024805|2.957119|3.729410|4.344438|5.701921|6.096309|7.038478|11.160010|13.675018|75.270822|73.516695| |2.430596|1.509744|2.783505|1.590552|3.197505|1.923257|2.238939|2.425628|2.178539|16.084205|3.466293|4.385458|3.382818|2.246083|2.065519|2.031571|1.847282|1.725009|1.745391|1.896705|2.886718|3.626859|3.710315|4.516714|5.966743|7.098249|14.373241|11.175338|74.751844|13.613059|73.516695| |2.328028|1.440270|2.682045|1.489622|2.965971|1.742682|1.991398|2.082158|1.870789|13.402351|2.954592|3.504324|2.833189|1.974878|1.839463|1.863692|1.712428|1.577124|1.562012|1.673154|2.316998|2.824199|3.093025|3.909454|4.644856|6.841273|13.668497|13.978337|82.391461|13.208291|13.178123|73.516695| |3.066553|1.949828|3.561385|2.130509|4.466190|2.825315|3.547098|4.162343|3.507093|25.810134|5.100314|7.090401|5.705790|3.538138|2.983830|2.807509|2.399001|2.201886|2.283618|2.623924|5.011795|7.897109|6.890366|7.942314|13.710587|7.575555|15.517588|11.979554|32.764999|8.354819|10.122801|6.889837|36.858105| |3.141807|1.991297|3.575115|2.224882|4.659712|3.050649|3.838738|4.888488|4.267653|33.949191|6.332269|9.661400|7.833909|4.389413|3.582079|3.223621|2.698924|2.498937|2.655272|3.144729|7.545726|13.685686|7.966995|6.883447|7.928225|5.031202|10.407670|9.118433|24.614910|6.844361|7.613323|5.469617|13.774685|36.858105| |5.245063|3.346160|5.370382|4.518954|9.260470|7.950911|6.873544|7.923445|13.811942|49.728034|11.866561|9.184733|6.871603|4.822534|3.685511|3.021186|2.547895|2.478592|2.808250|3.480981|3.720001|3.333288|2.892519|2.563667|2.534216|2.184299|4.967306|4.703039|11.565697|3.221585|3.355745|2.955269|2.811276|3.261532|36.858105| |6.678323|4.415341|6.793673|6.736522|14.022717|13.758812|7.896409|6.851400|7.930941|33.659851|7.985294|6.968510|5.254239|3.833151|3.048670|2.627221|2.251385|2.168266|2.387492|2.848566|3.048092|2.877923|2.580824|2.366913|2.371023|2.097560|4.851258|4.567189|11.071828|3.045024|3.187664|2.868061|2.591536|2.879216|13.705587|36.858105| |35.551497|10.204097|14.764162|6.030803|8.039850|3.493597|2.924549|2.445486|2.335015|13.682590|3.321508|3.215578|2.446749|1.830996|1.631261|1.543729|1.406065|1.349719|1.406705|1.544151|1.615740|1.627540|1.566979|1.545872|1.580713|1.522072|3.620925|3.427644|8.333306|2.246554|2.354031|2.274605|1.641303|1.666509|2.591179|3.195050|0.500000| |13.258034|8.994333|10.979407|17.556569|16.477649|7.040096|4.760261|3.793568|3.745151|20.021977|4.876237|4.440479|3.498266|2.677044|2.288195|2.104067|1.861482|1.776396|1.882699|2.133951|2.185664|2.151415|2.037565|1.948729|1.955813|1.811392|4.234990|4.058948|9.668807|2.639527|2.730681|2.573933|2.053092|2.157575|4.578041|6.739650|0.154175|0.500000| |13.249136|8.992817|10.980638|17.557334|16.480277|7.060641|4.776572|3.805636|3.753537|20.106571|4.874020|4.618057|3.370972|2.468509|2.114798|1.921159|1.711714|1.655656|1.774516|2.010298|2.133187|2.094354|1.943602|1.861565|1.903326|1.765474|4.178418|3.885391|9.519270|2.579059|2.734752|2.532648|2.041878|2.151049|4.585695|6.746089|0.154134|0.301241|0.500000| |5.749245|4.130834|7.632624|4.904037|13.564140|8.940492|17.749818|8.913452|5.636820|27.713906|5.702644|6.554195|4.985671|3.460179|2.714318|2.462483|2.089391|1.944588|2.061086|2.414326|3.195639|3.451771|3.134910|3.080654|3.312335|2.968297|7.295109|6.369187|14.636009|3.830441|4.182157|3.770506|3.688904|3.781333|4.955213|5.647869|0.081981|0.120107|0.120511|0.500000| |4.264835|2.816069|4.984447|3.343726|7.641467|5.651987|8.990431|17.753048|8.869311|46.780535|8.009497|11.305133|8.561781|5.046351|3.634401|3.123362|2.559625|2.382429|2.587045|3.168779|5.317537|5.814997|4.582395|4.124364|4.387828|3.487531|8.077948|7.101081|16.996944|4.573722|4.990457|4.158479|5.429283|6.615986|5.640780|4.943548|0.061309|0.088204|0.088468|0.214843|0.500000| |3.571481|2.239350|3.878119|2.599601|5.310238|3.595443|4.102683|5.083639|5.315628|39.836116|8.380444|7.683424|12.491727|17.571425|8.899556|7.383502|4.802369|3.992172|4.189394|5.578181|6.770267|6.181787|6.130274|4.609874|3.851528|3.046045|6.296919|6.793377|15.448974|4.563186|4.242247|3.799848|3.858827|4.628528|4.336812|3.667868|0.051702|0.074849|0.067892|0.102324|0.145696|0.500000| |3.874384|2.407104|4.051020|2.898204|5.795540|4.086501|4.329708|5.410261|6.891433|51.375586|12.247118|8.480078|12.525247|17.615574|8.913813|6.048566|4.372918|3.997676|4.576893|6.604196|5.584664|4.545593|4.122894|3.329423|2.992408|2.469092|5.287002|5.439183|12.956398|3.772852|3.647064|3.247615|3.138163|3.775114|6.022597|4.608061|0.055241|0.085037|0.076990|0.101414|0.137877|0.304999|0.500000| |3.000983|1.832220|3.184235|2.055054|4.014837|2.559412|2.765352|3.143280|3.283229|25.382218|6.019413|5.359169|6.702502|7.045172|8.913030|17.690984|8.926075|5.652796|4.963547|5.647951|4.633293|4.313816|4.938605|3.952009|3.157999|2.640917|5.310850|6.122678|14.139530|4.368340|3.786109|3.541298|2.971746|3.331513|2.955772|2.629689|0.044036|0.059826|0.054015|0.071934|0.089708|0.228565|0.158072|0.500000| |2.532508|1.513316|2.622270|1.669272|3.166810|1.969978|2.066205|2.289219|2.427049|19.141821|4.826805|4.222696|4.549427|4.095614|5.629737|8.911978|17.714206|8.915554|5.647838|4.950822|3.318228|3.026264|3.333626|2.848010|2.380351|2.082155|4.218205|4.812691|11.822742|3.719380|3.193008|3.023324|2.259000|2.480639|2.276258|2.053346|0.037446|0.048618|0.044550|0.054223|0.064693|0.114392|0.101452|0.215810|0.500000| |2.377261|1.405094|2.411852|1.557395|2.913493|1.818906|1.876384|2.090751|2.291132|18.800628|5.026173|4.189656|4.207268|3.540159|4.930706|5.644541|8.917663|17.715693|8.897939|5.638121|3.053940|2.630989|2.698492|2.306926|2.014093|1.769536|3.653476|3.983593|10.274646|3.199397|2.858777|2.636708|1.984456|2.218010|2.189570|1.943751|0.035075|0.045245|0.042326|0.048684|0.058383|0.090824|0.090941|0.124235|0.214645|0.500000| |2.560398|1.514642|2.573246|1.709654|3.198059|2.038777|2.089005|2.383009|2.738166|23.976405|6.940688|5.242473|5.108173|4.082835|5.638291|4.965381|5.652775|8.906523|17.714592|8.941289|3.559622|2.843301|2.720360|2.278733|2.043408|1.768252|3.709719|3.887566|10.197624|3.115685|2.910637|2.596756|2.092812|2.419081|2.628700|2.244459|0.037462|0.049480|0.047167|0.053063|0.065672|0.096225|0.107341|0.107700|0.124128|0.214635|0.500000| |3.048612|1.835035|3.098226|2.132403|4.079712|2.716194|2.820321|3.398735|4.208741|42.066913|13.522976|8.116434|8.999403|6.963810|8.907681|5.654849|4.952217|5.639009|8.923936|17.732097|5.353599|3.821782|3.402779|2.736362|2.472930|2.072531|4.386701|4.484949|11.568187|3.465943|3.336400|2.901933|2.618508|3.182795|3.886728|3.072792|0.044075|0.061476|0.058901|0.069280|0.092309|0.140240|0.183410|0.124159|0.107507|0.124066|0.215712|0.500000| |2.876502|1.771105|3.087401|2.007484|4.005638|2.640122|2.997895|3.755832|4.019936|39.322387|8.308667|9.136294|12.557432|7.282379|7.291333|5.877170|4.662140|4.350986|4.848286|6.237116|17.613386|8.898103|7.189754|4.741558|3.978754|3.039340|6.094102|6.360731|16.656139|5.179998|4.808586|3.962076|4.210956|5.652581|3.266783|2.723587|0.042123|0.056293|0.054346|0.076935|0.115687|0.180386|0.146103|0.148108|0.108777|0.099865|0.114190|0.162124|0.500000| |2.973075|1.840845|3.209697|2.099749|4.233014|2.830253|3.278788|4.280183|4.600405|50.243613|9.445378|14.636263|12.481047|5.652368|4.933419|3.968836|3.337109|3.268078|3.750223|4.710724|17.695393|8.916629|5.710272|4.233967|3.984715|3.042770|6.331663|6.105547|16.766090|5.005532|5.100080|3.970394|4.726895|7.115754|3.565138|2.913682|0.043437|0.057796|0.057655|0.083439|0.136153|0.138813|0.128466|0.103434|0.080708|0.078473|0.095069|0.140165|0.303950|0.500000| |2.853729|1.770881|3.146607|1.962242|3.954938|2.526824|2.924926|3.456124|3.342656|26.833478|5.703143|6.288267|7.474284|5.587593|5.283367|5.602668|4.379466|3.617902|3.528661|4.073651|6.986290|8.911456|17.707174|8.944785|5.650635|4.108170|7.601690|9.038941|21.194416|6.867660|5.621679|4.924904|4.960330|5.653710|2.786646|2.479383|0.042181|0.055063|0.051884|0.078697|0.109241|0.185268|0.119539|0.177641|0.113170|0.086337|0.083546|0.101460|0.216813|0.144981|0.500000| |2.758609|1.721984|3.134000|1.852588|3.754090|2.308420|2.701205|2.994407|2.712281|19.970824|4.280011|4.907135|4.802530|3.506909|3.219538|3.412896|2.930003|2.516755|2.435796|2.689918|4.086876|5.631829|8.924092|17.744484|8.913944|7.038769|10.968701|17.488135|32.304038|10.631519|7.358575|7.177938|5.647090|4.959555|2.319006|2.170834|0.041299|0.051283|0.048507|0.076905|0.095807|0.114894|0.084059|0.108850|0.080447|0.063221|0.060313|0.069830|0.112602|0.097569|0.216197|0.500000| |2.323332|1.432127|2.608897|1.522837|3.033612|1.844344|2.118879|2.339163|2.165931|16.531696|3.607969|4.366602|3.677800|2.501719|2.383440|2.420833|2.219456|2.037811|2.015263|2.160449|3.274411|4.158190|4.774201|5.967782|6.228800|6.201893|10.220717|11.566575|54.886297|35.621410|13.517114|10.091608|5.051383|4.264916|1.878068|1.755519|0.035023|0.041566|0.040772|0.060332|0.074382|0.074602|0.061687|0.071072|0.060641|0.052755|0.051847|0.057877|0.089952|0.087394|0.116610|0.162914|0.500000| |2.366731|1.466782|2.713878|1.533982|3.069525|1.829215|2.112210|2.256415|2.029223|14.834132|3.226112|4.050710|3.060238|2.041739|1.882366|1.848579|1.692382|1.590238|1.611334|1.743034|2.560298|3.117877|3.147389|3.723752|4.746098|5.730435|12.921801|9.693018|55.528718|10.499568|35.572037|12.954008|4.682272|3.663139|1.777218|1.702040|0.035943|0.041000|0.041314|0.061957|0.071633|0.059882|0.052395|0.053627|0.045792|0.041384|0.042239|0.048121|0.066726|0.071270|0.076011|0.096593|0.158301|0.500000| |3.063927|1.951896|3.594078|2.111605|4.428267|2.759153|3.454279|3.917497|3.266907|23.434286|4.703193|6.596790|4.870076|3.044620|2.596954|2.439680|2.120977|1.972365|2.052383|2.334253|4.092373|5.633250|4.963641|5.649019|8.908179|7.018710|17.247481|10.922910|32.613083|7.676869|11.038931|7.068219|17.750589|8.938519|2.666497|2.501046|0.045734|0.055846|0.056498|0.102109|0.138892|0.090461|0.077190|0.071093|0.055729|0.049855|0.052903|0.065439|0.096980|0.112049|0.107694|0.124143|0.125905|0.147531|0.500000| |3.200392|2.027165|3.618583|2.282616|4.778757|3.165063|3.975753|5.194281|4.615038|37.832424|6.854222|12.204922|7.756106|4.139754|3.382444|2.964441|2.517794|2.387765|2.590752|3.080425|7.018177|8.915068|5.659299|4.957474|5.643548|4.100900|8.991982|7.590232|21.249184|5.830479|6.822669|4.883769|8.935088|17.717653|3.470052|3.017536|0.047003|0.060942|0.062153|0.106708|0.194515|0.115273|0.102137|0.083092|0.063851|0.059123|0.066600|0.089326|0.143270|0.212135|0.124227|0.107636|0.100324|0.094357|0.215879|0.500000| 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