Version2.4 2021-05-28T11:23:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 05-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1CC(=O)N2CCN(CC2)c3ccc(cc3)NC(=O)Nc4ccccc4Br C00740645 RHF 6-31G(d) (6D,7F) Cc1ccccc1CC(=O)N2CCN(CC2)c3ccc(cc3)NC(=O)Nc4ccccc4Br C01[X(C26H27Br1N4O2)] 174 C1 564 O=C(Nc1ccccc1Br)Nc1ccc(cc1)N1CCN(CC1)C(=O)Cc1ccccc1C O=C(Nc1ccccc1Br)Nc1ccc(cc1)N1CCN(CC1)C(=O)Cc1ccccc1C Cc1ccccc1CC(=O)N2CCN(CC2)c3ccc(NC(=O)Nc4ccccc4Br)cc3 InChIKey=VCCDOYMITXKCFG-UHFFFAOYSA-N InChI=1S/C26H27BrN4O2/c1-19-6-2-3-7-20(19)18-25(32)31-16-14-30(15-17-31)22-12-10-21(11-13-22)28-26(33)29-24-9-5-4-8-23(24)27/h2-13H,14-18H2,1H3,(H2,28,29,33) InChI=1/C26H27BrN4O2/c1-19-6-2-3-7-20(19)18-25(32)31-16-14-30(15-17-31)22-12-10-21(11-13-22)28-26(33)29-24-9-5-4-8-23(24)27/h2-13H,14-18H2,1H3,(H2,28,29,33)/f/h28-29H Cc1ccccc1CC(=O)N2CCN(CC2)c3ccc(cc3)NC(=O)Nc4ccccc4Br C01[X(C26H27Br1N4O2)] 174 C01 564 O=C(Nc1ccccc1Br)Nc1ccc(cc1)N1CCN(CC1)C(=O)Cc1ccccc1C O=C(N[C]1[CH][CH][CH][CH][C]1Br)N[C]1[CH][CH][C]([CH][CH]1)[N@@]1CCN(CC1)C(=O)C[C]1[CH][CH][CH][CH][C]1C C[C]1[CH][CH][CH][CH][C]1CC(=O)N2CCN(CC2)[C]3[CH][CH][C]([CH][CH]3)NC(=O)N[C]4[CH][CH][CH][CH][C]4Br InChIKey=VCCDOYMITXKCFG-UHFFFAOYSA-N InChI=1S/C26H27BrN4O2/c1-19-6-2-3-7-20(19)18-25(32)31-16-14-30(15-17-31)22-12-10-21(11-13-22)28-26(33)29-24-9-5-4-8-23(24)27/h2-13H,14-18H2,1H3,(H2,28,29,33) InChI=1/C26H27BrN4O2/c1-19-6-2-3-7-20(19)18-25(32)31-16-14-30(15-17-31)22-12-10-21(11-13-22)28-26(33)29-24-9-5-4-8-23(24)27/h2-13H,14-18H2,1H3,(H2,28,29,33)/f/h28-29H 3378.5450498961 -3937.7530884 1-A 45375.3242 131 433 564 |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|A|A|A|A|A|A|A|A|A|A|A| -490.08021 -64.49142 -58.63063 -58.62892 -58.62866 -20.53348 -20.51992 -15.61203 -15.60791 -15.58478 -15.56556 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0.7189 0.6155 0.5425 0.5960 0.1357 0.7386 0.0785 0.2461 0.3006 0.2011 0.7069 0.2040 0.5113 0.4823 0.1575 0.1564 0.6184 0.6953 0.1164 0.3183 0.1151 0.0794 0.7033 0.6015 0.5691 0.3031 0.2382 0.7289 0.2903 0.6617 0.6590 0.1605 0.6239 0.2932 0.2819 0.4224 0.2687 0.1692 0.6406 0.4874 0.1439 0.1834 0.7382 0.3757 0.6474 0.7356 0.5394 0.7263 0.6933 0.3715 0.7040 0.7402 0.1527 0.1593 0.4295 0.4313 0.6037 0.1431 0.5613 0.5105 0.2729 0.7500 0.2287 0.3097 0.1889 0.4883 0.1925 0.5907 0.7499 0.3222 0.6240 0.7438 0.6593 0.3444 0.6261 0.3449 0.5226 0.7086 0.6188 0.6897 0.7187 0.7476 0.3163 0.7356 0.7500 0.7498 0.4845 0.6477 0.7132 0.1906 0.4966 0.3182 0.5217 0.5263 0.5389 0.5453 0.7083 0.4009 0.4175 0.2929 0.4518 0.1776 0.3081 0.0325 0.1980 0.0587 0.5242 0.5469 0.3926 0.2975 0.7460 0.2920 0.5777 0.3896 0.5997 0.3271 0.7107 0.7157 0.3333 0.1234 0.3735 0.1901 0.1624 0.2350 0.2118 0.2143 0.1401 0.8403 0.8497 0.8546 0.8571 0.8569 0.8564 0.8185 0.8282 0.8571 0.8095 0.8216 0.7806 0.8185 0.8015 0.5352 0.8461 0.7117 0.8297 0.8571 0.7990 0.4992 0.8157 0.8231 0.3265 0.7383 0.4680 0.6052 0.7012 0.1833 0.7492 0.7208 0.6096 0.6628 0.8135 0.8537 0.6434 0.7814 0.7986 0.7837 0.8544 0.6488 0.7706 0.8207 0.4507 0.8449 0.8137 0.5641 0.8365 0.7620 0.7034 0.7469 0.2390 0.8497 0.1455 0.3949 0.4623 0.3349 0.8283 0.3388 0.6766 0.6507 0.2722 0.2705 0.7642 0.8203 0.2086 0.4829 0.2065 0.1471 0.8258 0.7512 0.7254 0.4652 0.3847 0.8432 0.4500 0.7964 0.7945 0.2767 0.7684 0.4534 0.4398 0.5939 0.4236 0.2895 0.7809 0.6553 0.2516 0.3100 0.8494 0.5461 0.7859 0.8477 0.7008 0.8415 0.8188 0.5418 0.8263 0.8507 0.2649 0.2749 0.6009 0.6026 0.7529 0.2503 0.7191 0.6759 0.4287 0.8571 0.3723 0.4729 0.3178 0.6561 0.3228 0.7427 0.8570 0.4874 0.7685 0.8531 0.7947 0.5124 0.7700 0.5129 0.6864 0.8294 0.7645 0.8164 0.8363 0.8556 0.4806 0.8477 0.8571 0.8570 0.6527 0.7862 0.8326 0.3202 0.6637 0.4827 0.6857 0.6896 0.7004 0.7057 0.8292 0.5723 0.5891 0.4531 0.6224 0.3016 0.4711 0.0630 0.3305 0.1108 0.6879 0.7071 0.5639 0.4586 0.8545 0.4520 0.7324 0.5607 0.7498 0.4930 0.8309 0.8343 0.4999 0.2197 0.5439 0.3195 0.2794 0.3806 0.3495 0.3529 0.2458 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 6 6 6 6 6 6 6 6 6 8 7 6 6 7 6 6 6 6 6 6 6 6 7 6 8 7 6 6 6 6 6 6 35 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 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 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 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 4049.0106 83748.7503 86065.7766 0.99996 0.00843 -0.00147 -0.00841 0.99984 0.01596 0.00161 -0.01595 0.99987 1 0.02139 0.00103 0.00101 0.44572 0.02155 0.02097 10.07 11.55 15.39 36.53 50.17 55.45 67.77 73.90 83.90 100.43 114.43 134.38 160.06 188.44 218.05 226.29 238.85 251.04 295.49 341.29 354.74 396.02 421.47 428.27 436.56 457.36 497.22 502.37 530.33 544.38 591.15 607.15 645.90 649.47 665.12 671.88 703.43 712.06 715.57 746.11 769.62 811.10 826.61 831.01 867.13 877.38 889.61 907.17 948.91 994.07 1009.75 1034.59 1053.13 1135.34 1154.41 1160.22 1170.41 1172.74 1202.35 1204.39 1236.29 1260.87 1270.96 1286.64 1335.09 1342.89 1356.85 1376.00 1409.09 1416.46 1427.70 1436.13 1480.31 1506.48 1527.10 1535.11 1548.18 1570.48 1576.19 1583.81 1598.30 1600.49 1600.55 1630.99 1642.23 1647.43 1653.85 1661.08 1675.98 1686.01 1704.20 1737.30 1744.49 1745.20 1773.77 1777.01 1795.34 1820.35 1863.56 1872.14 1886.31 1887.17 1893.45 1922.62 1930.97 1937.62 1941.36 1961.21 1972.59 1973.96 1987.51 2014.13 2062.52 2079.43 2083.53 2105.38 2132.38 2152.60 2165.22 2214.95 2234.69 2250.85 2259.14 2274.58 2302.34 2308.45 2320.56 2344.21 2358.37 2358.94 2361.07 2370.38 2374.73 2379.29 2390.36 2404.59 2438.05 2459.72 2486.35 2564.44 2576.55 2578.10 2591.72 2610.59 2626.17 2781.32 2826.68 4513.87 4525.25 4591.53 4604.16 4606.14 4634.39 4692.34 4695.76 4707.41 4723.77 4735.65 4794.62 4813.49 4815.78 4824.78 4828.88 4845.36 4851.12 4857.24 4868.21 4875.81 4883.67 4900.36 4956.94 4987.81 5568.36 5593.69 0.527458 0.555743 0.556687 0.460535 -3937.225630 -3937.197345 -3937.196401 -3937.292553 3.224954D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE Cc1ccccc1CC(=O)N2CCN(CC2)c3ccc(cc3)NC(=O)Nc4ccccc4Br C00740645 RHF 6-31G(d) (6D,10F) C1 506.131737 |X|Y|Z| 42.713855 25.798484 207.089807 61.109288 29 6 7 25 4 |36.858105| |12.601335|36.858105| |7.595617|13.728662|36.858105| |5.016991|7.866475|13.742546|36.858105| |4.422508|6.812975|7.965940|13.798155|36.858105| |5.006949|7.922571|6.943176|7.979892|13.746950|36.858105| |7.492326|13.609879|7.946589|6.837813|7.875789|13.739839|36.858105| |6.365071|7.478937|5.008430|4.432095|5.029232|7.631527|12.589394|36.858105| |5.528997|5.736552|4.171993|3.710153|4.069256|5.504456|7.466178|12.455208|36.858105| |5.607291|5.841939|4.408125|3.884965|4.131556|5.260098|6.820303|7.989413|15.870660|73.516695| |4.195892|4.135010|3.230077|2.948377|3.220459|4.126095|5.024856|7.711292|13.950920|15.104244|53.358707| |3.520204|3.379440|2.771644|2.546950|2.720337|3.292282|3.826815|4.991069|7.848627|12.500592|17.808841|36.858105| |2.785955|2.744561|2.333358|2.206981|2.387397|2.837286|3.123390|3.925709|5.253669|8.428952|10.612557|12.524331|36.858105| |2.633596|2.570794|2.186223|2.066896|2.233860|2.652392|2.921201|3.734016|4.554102|6.932147|9.168583|7.825534|13.126533|53.358707| |2.871279|2.853621|2.387870|2.264338|2.488889|3.036556|3.356901|4.531471|5.173548|7.283470|10.614089|6.682087|7.950828|17.826564|36.858105| |3.702687|3.598129|2.869432|2.641496|2.881120|3.629583|4.300282|6.513949|7.606270|9.446366|17.849176|7.834106|6.669762|10.607429|12.508070|36.858105| |2.202719|2.164864|1.887532|1.807718|1.948917|2.261075|2.424744|2.960342|3.421921|5.423670|6.135661|5.090290|7.778915|18.246021|7.870786|5.106008|36.858105| |2.043052|1.984393|1.741607|1.662591|1.775048|2.035772|2.187394|2.636301|2.930114|4.655322|5.042553|3.991986|5.177505|10.716691|6.145713|4.385023|13.673201|36.858105| |1.780258|1.739691|1.551391|1.493398|1.590419|1.796370|1.901034|2.229655|2.432142|3.944171|4.003638|3.146553|3.937815|7.004820|4.367046|3.350909|7.858704|13.812241|36.858105| |1.665322|1.646242|1.482005|1.439825|1.539174|1.726787|1.801997|2.081771|2.281403|3.759788|3.692644|2.938423|3.747077|6.134325|3.807874|2.964708|6.786664|7.948129|13.684631|36.858105| |1.747316|1.743489|1.567464|1.529520|1.646613|1.855852|1.925990|2.228553|2.490289|4.129216|4.062227|3.305425|4.462634|6.943548|4.131785|3.159615|7.905646|6.943550|7.971900|13.767473|36.858105| |1.995222|1.992198|1.766212|1.714870|1.856925|2.127220|2.228994|2.639172|3.036388|4.969522|5.165564|4.325444|6.559667|10.478411|5.555851|3.988876|13.742149|8.004206|6.877350|7.898785|13.733270|36.858105| |1.482724|1.469373|1.337808|1.306252|1.391230|1.541896|1.595414|1.809904|1.954386|3.257149|3.077237|2.418063|2.949980|4.598051|2.991246|2.438898|4.515581|5.133522|7.730640|13.478715|7.935965|5.170160|53.358707| |1.389809|1.367313|1.249890|1.216449|1.285490|1.414904|1.469051|1.654120|1.773399|2.969355|2.760472|2.161872|2.552972|3.946141|2.600255|2.188724|3.677378|4.323591|6.241611|7.679592|5.231286|3.928759|18.936675|36.858105| |1.416835|1.381104|1.258664|1.217147|1.279394|1.409108|1.475389|1.666485|1.786618|2.985403|2.788674|2.187409|2.548317|3.989979|2.619109|2.229776|3.665215|4.529554|6.521905|6.628992|4.585985|3.695157|11.442768|15.905338|73.516695| |1.269006|1.254386|1.156119|1.131007|1.193990|1.303698|1.343248|1.494200|1.590104|2.682158|2.435848|1.894198|2.199687|3.310463|2.224494|1.908789|2.966569|3.323559|4.353177|5.241993|4.133428|3.214783|11.405047|13.855235|14.878805|53.358707| |1.177572|1.160452|1.074692|1.050587|1.103178|1.196932|1.233518|1.361588|1.439874|2.439175|2.182332|1.689090|1.920276|2.862428|1.945317|1.705059|2.484625|2.775791|3.464930|3.863796|3.193202|2.624955|7.147387|7.655393|11.660400|18.523169|36.858105| |1.168566|1.143081|1.058028|1.029178|1.074695|1.164453|1.207270|1.331914|1.409491|2.391660|2.133731|1.656486|1.861459|2.776070|1.879919|1.668232|2.377888|2.690953|3.300581|3.488461|2.890295|2.449189|5.954950|6.303076|11.774790|10.552695|13.654665|36.858105| |1.084500|1.060216|0.986212|0.959994|0.998801|1.076104|1.113885|1.219750|1.283501|2.186358|1.923925|1.485752|1.644979|2.428558|1.662476|1.497616|2.034153|2.269568|2.682787|2.785401|2.390090|2.080419|4.532181|4.334219|8.077852|6.988768|7.902525|13.790034|36.858105| |1.020450|1.002588|0.936798|0.915827|0.953845|1.023780|1.053757|1.147419|1.201503|2.050627|1.788919|1.373453|1.515458|2.220586|1.535021|1.387254|1.845649|2.026383|2.363444|2.485324|2.179541|1.904233|4.041471|3.673760|6.480144|6.164369|6.785578|7.903668|13.756001|36.858105| |1.025561|1.013337|0.947489|0.929991|0.972668|1.044597|1.070030|1.165021|1.218916|2.078364|1.815320|1.390452|1.544960|2.261291|1.568003|1.406605|1.891723|2.059108|2.418123|2.606704|2.297514|1.980644|4.352888|3.888052|6.455782|7.021556|7.846404|6.876858|7.995436|13.799588|36.858105| |1.096020|1.085205|1.010845|0.992678|1.042593|1.125136|1.152315|1.261962|1.325640|2.252831|1.989051|1.527832|1.720719|2.535033|1.747391|1.545768|2.160042|2.360299|2.844752|3.159482|2.733377|2.292289|5.577192|5.141266|7.955634|10.748333|13.664338|7.989196|6.951930|7.966249|13.777139|36.858105| |1.083606|1.083036|1.012062|1.000981|1.057465|1.139707|1.156679|1.262182|1.321142|2.245939|1.973637|1.506147|1.703616|2.489407|1.734243|1.526865|2.115935|2.252688|2.672097|3.055579|2.748386|2.295674|5.356188|4.340183|6.403214|8.402557|6.607590|4.570016|4.096933|4.611114|6.738732|9.971595|2539.412838| |17.578220|8.850517|5.920783|4.304764|3.962387|4.575638|6.651486|6.385720|6.516768|12.576111|6.580862|4.148431|3.135834|3.938433|3.084976|4.033146|2.380404|2.183203|1.885667|1.763546|1.861779|2.147255|2.122665|1.458218|2.646236|1.804343|1.226439|1.218389|1.127163|1.057125|1.061479|1.136858|38.145757|0.500000| |17.523302|8.800163|5.884769|4.282452|3.945252|4.560955|6.632588|6.436849|5.256948|8.679079|5.752539|3.466269|2.779586|3.688488|3.013374|3.965723|2.263807|2.128241|1.846162|1.707360|1.773842|2.021516|2.065456|1.426285|2.596786|1.766758|1.205367|1.198523|1.111872|1.044319|1.047932|1.119811|37.557391|0.301377|0.500000| |17.584351|8.865530|7.356007|4.792238|3.982877|4.183787|5.551730|4.690464|4.263195|7.935533|4.662467|3.010295|2.444327|3.152155|2.480276|3.080780|1.975638|1.850013|1.631544|1.532182|1.600335|1.805957|1.872956|1.298127|2.355538|1.621515|1.111574|1.106272|1.031516|0.972133|0.974950|1.037541|34.850712|0.301935|0.302676|0.500000| |7.092116|8.945287|17.704494|8.942462|5.665396|4.987314|5.649879|4.077066|3.570168|6.774006|3.899367|2.527722|2.139496|2.738539|2.166239|2.575330|1.752593|1.631035|1.461031|1.394956|1.467583|1.641498|1.722383|1.189405|2.135716|1.500847|1.029610|1.017380|0.951544|0.903903|0.911708|0.969303|32.912895|0.154338|0.153474|0.229011|0.500000| |4.101420|5.619301|8.914887|17.711464|8.912683|5.656604|4.933324|3.545014|3.083142|5.769516|3.450522|2.243197|1.974527|2.524446|2.009669|2.298862|1.643910|1.520988|1.378527|1.334708|1.414116|1.570874|1.659970|1.140015|2.026198|1.449874|0.993186|0.973440|0.911188|0.871526|0.884856|0.941713|32.345838|0.099895|0.099429|0.114335|0.216071|0.500000| |3.539002|4.920629|5.649907|8.906465|17.714882|8.910572|5.621948|4.110901|3.466762|6.240108|3.893614|2.464890|2.219821|2.836307|2.310411|2.597296|1.846167|1.683930|1.523020|1.485296|1.591229|1.780256|1.838856|1.247298|2.196809|1.585124|1.076723|1.045455|0.973051|0.932697|0.953783|1.021914|35.463519|0.090257|0.089919|0.090636|0.124301|0.213929|0.500000| |4.078727|5.638562|4.986508|5.670122|8.944254|17.694415|8.939522|7.136491|5.360107|8.723642|5.772950|3.355461|2.983554|3.815378|3.268416|3.794678|2.399561|2.141404|1.890040|1.826373|1.976258|2.273997|2.214083|1.481103|2.606816|1.857081|1.246400|1.205690|1.110735|1.058266|1.084324|1.172481|40.659841|0.107555|0.107336|0.096035|0.108075|0.124374|0.215946|0.500000| |4.741869|5.610813|4.226843|4.022232|4.831096|7.415740|8.947069|17.571431|8.910128|10.906350|9.670461|4.650576|3.944995|5.258915|4.961037|6.729173|3.098662|2.746815|2.326548|2.178851|2.339742|2.775386|2.573299|1.714037|3.049788|2.107845|1.404502|1.364848|1.246624|1.175600|1.199327|1.303943|44.684032|0.130110|0.136025|0.104371|0.096899|0.091397|0.114978|0.228955|0.500000| |6.911113|6.905133|4.658191|3.970420|4.250618|5.783743|8.859394|17.544239|8.919770|11.103240|9.379904|4.640860|3.679111|4.984809|4.480047|6.751505|2.914873|2.667214|2.246807|2.062904|2.169429|2.544911|2.443591|1.655228|2.991496|2.028670|1.363892|1.342005|1.230908|1.154541|1.167207|1.261049|42.611595|0.185255|0.225666|0.139022|0.109932|0.090410|0.098285|0.148663|0.305156|0.500000| |3.519896|3.217795|2.647818|2.391512|2.494058|2.954974|3.485214|4.432550|6.377088|10.492461|12.396021|17.512828|8.891816|9.554142|5.806890|6.961194|4.805103|4.000084|3.143736|2.870413|3.131636|3.966634|3.230780|2.159300|3.948032|2.563429|1.691781|1.678442|1.508277|1.385593|1.391764|1.522518|50.431201|0.116924|0.097744|0.084710|0.068353|0.058966|0.062645|0.081933|0.112042|0.121810|0.500000| |3.560335|3.473899|2.887477|2.662460|2.831182|3.381877|3.882762|4.748017|7.642002|14.848988|12.543800|17.693537|8.864158|7.696794|5.004158|5.698882|4.168622|3.342986|2.752035|2.641398|2.997756|3.807316|3.023702|1.994849|3.563310|2.411891|1.588769|1.556328|1.404212|1.304810|1.322475|1.447534|48.799130|0.118586|0.093743|0.085402|0.073166|0.065229|0.071232|0.094658|0.120369|0.118080|0.301271|0.500000| |2.526258|2.461234|2.130967|2.016240|2.151180|2.494585|2.723599|3.281104|4.255487|7.244794|7.691178|8.915376|17.588518|12.510529|5.723526|4.976527|7.271044|5.030408|3.973030|3.876523|4.684392|6.716380|4.163991|2.658501|4.726577|3.109103|1.991677|1.939115|1.707936|1.565673|1.591302|1.773795|59.304186|0.079137|0.069578|0.062743|0.055002|0.050682|0.055919|0.072009|0.090243|0.086596|0.218265|0.211536|0.500000| |2.678332|2.727656|2.346055|2.263613|2.495102|2.975285|3.171755|3.912756|5.124122|8.348179|9.482506|8.912694|17.440146|12.229274|7.072267|5.821108|6.671599|4.521981|3.631939|3.612998|4.471519|6.559211|3.937049|2.467697|4.290461|2.937126|1.876985|1.797286|1.591709|1.479831|1.521577|1.698743|58.189961|0.082511|0.073403|0.065370|0.059210|0.056269|0.065152|0.088990|0.112776|0.098223|0.174452|0.218323|0.300577|0.500000| |2.640381|2.602429|2.205354|2.094489|2.284411|2.739463|3.003710|3.928735|4.186516|6.057424|7.700361|4.987145|5.720311|12.464790|17.606710|8.922167|7.382590|6.909157|4.838391|3.988847|4.076313|5.123464|4.268825|2.749955|4.977271|3.172431|2.039099|1.974096|1.741046|1.602541|1.634561|1.823943|61.232105|0.077386|0.078303|0.064163|0.056065|0.052061|0.059284|0.081461|0.119727|0.112269|0.130179|0.109664|0.127908|0.143648|0.500000| |2.749576|2.831274|2.397723|2.322774|2.610690|3.209968|3.418275|4.528356|5.019743|7.155346|9.428854|5.810610|7.086293|12.276541|17.429072|8.867335|6.779870|5.191763|3.998901|3.687141|4.143767|5.548376|4.007647|2.520386|4.415337|2.978819|1.906072|1.818647|1.611407|1.501719|1.547737|1.729531|59.434602|0.080992|0.078999|0.066131|0.059831|0.057245|0.068135|0.099277|0.145994|0.118284|0.133293|0.130848|0.144042|0.209648|0.301354|0.500000| |3.863276|3.873537|3.060875|2.836350|3.143057|4.057601|4.809122|7.689660|7.150085|8.779076|12.386588|5.665190|4.997390|7.704408|8.940037|17.669218|4.206043|3.769406|3.007203|2.686163|2.829304|3.445445|3.073644|2.038622|3.676774|2.447937|1.616516|1.577635|1.425189|1.328535|1.349934|1.477988|49.989117|0.111738|0.117843|0.088355|0.075263|0.067958|0.078352|0.119447|0.245918|0.231457|0.141925|0.127650|0.109483|0.131086|0.214450|0.218794|0.500000| |3.717650|3.420258|2.739757|2.475587|2.625878|3.210680|3.860429|5.490693|6.236828|8.387705|12.399186|6.949979|5.781397|9.501844|8.900229|17.501531|4.813169|4.422002|3.360066|2.894576|2.996745|3.682973|3.257623|2.186808|4.030372|2.583180|1.708285|1.690879|1.521052|1.400326|1.408655|1.540973|51.132364|0.113418|0.113673|0.086931|0.069682|0.060381|0.065641|0.090496|0.147103|0.172882|0.203696|0.142481|0.129558|0.133184|0.219094|0.174147|0.301862|0.500000| |2.148218|2.057023|1.792415|1.694959|1.797882|2.066679|2.252242|2.740436|3.008293|4.720872|5.184871|3.991907|4.792563|9.937475|6.263871|4.729013|8.939571|17.721095|8.974130|5.657171|4.989237|5.681287|5.658754|3.745603|7.242547|4.027521|2.554419|2.530427|2.169851|1.934127|1.942374|2.189997|70.381700|0.063659|0.063004|0.053939|0.046749|0.042974|0.047062|0.059862|0.078625|0.078835|0.115166|0.091493|0.126434|0.113519|0.211730|0.137965|0.112691|0.140631|0.500000| |1.687650|1.640573|1.469716|1.412644|1.495644|1.677733|1.776683|2.065533|2.217132|3.605475|3.581524|2.769572|3.305287|5.702379|3.743569|3.011671|5.622117|8.952706|17.805840|8.904297|5.664715|4.961268|9.568519|6.736728|14.192627|6.254912|3.752878|3.667187|2.950289|2.554120|2.578991|3.021979|93.409707|0.049351|0.048879|0.043225|0.038641|0.036355|0.039812|0.048763|0.059623|0.058442|0.078057|0.067900|0.092414|0.084802|0.117689|0.095055|0.076499|0.085598|0.216768|0.500000| |1.637790|1.645723|1.493889|1.468038|1.581336|1.766233|1.812862|2.063245|2.295734|3.864173|3.654363|2.965274|3.883931|5.635877|3.483457|2.771304|5.641284|4.986569|5.654017|8.922180|17.690440|8.943463|9.942649|4.911567|7.343061|5.670228|3.205147|2.838003|2.361612|2.185305|2.336793|2.797734|98.680224|0.048348|0.045869|0.041891|0.038911|0.037892|0.042737|0.052309|0.060123|0.055365|0.077542|0.076852|0.114458|0.112024|0.094221|0.099583|0.069988|0.072674|0.108108|0.124233|0.500000| |2.044317|2.065316|1.835603|1.793289|1.954280|2.241369|2.327066|2.734561|3.204881|5.329428|5.390422|4.605250|7.233616|9.483482|5.232621|3.926614|8.887296|5.660797|4.956892|5.651010|8.976622|17.744713|5.734505|3.318094|5.524360|3.858445|2.359483|2.201089|1.899010|1.757958|1.833122|2.101405|72.699062|0.061371|0.056838|0.051313|0.047183|0.045583|0.052189|0.066946|0.079904|0.071709|0.112269|0.116645|0.206971|0.229771|0.126564|0.153813|0.094589|0.098056|0.124318|0.107708|0.218180|0.500000| |1.431839|1.429277|1.308075|1.284786|1.372327|1.515218|1.554684|1.750019|1.887185|3.164699|2.942058|2.307163|2.810092|4.251344|2.796613|2.298154|4.059022|4.306648|5.778741|9.334164|7.550495|4.888875|26.077016|9.391786|10.870216|10.889761|5.045402|4.026699|3.148513|2.898270|3.210778|4.168740|147.005359|0.041763|0.040504|0.036966|0.034338|0.033399|0.037200|0.044558|0.050927|0.047849|0.062206|0.059630|0.080916|0.078284|0.080113|0.078166|0.059511|0.061930|0.098530|0.144589|0.228307|0.116132|0.500000| |1.252691|1.246285|1.151517|1.131939|1.199489|1.308361|1.339533|1.485666|1.577633|2.663691|2.407737|1.864272|2.172108|3.240277|2.195398|1.878031|2.894385|3.152816|4.031790|5.034033|4.176649|3.214012|10.923167|9.393308|10.855743|26.099320|9.405138|5.768255|4.296708|4.066600|4.888825|7.564923|258.616380|0.036286|0.035504|0.032645|0.030446|0.029638|0.032618|0.038192|0.042970|0.040943|0.050984|0.048677|0.062329|0.060030|0.063521|0.060871|0.049384|0.051353|0.077397|0.113844|0.121783|0.079858|0.254485|0.500000| |1.231250|1.198196|1.104375|1.069651|1.115378|1.212541|1.264392|1.402281|1.491528|2.526624|2.272928|1.775888|2.000450|3.006975|2.013184|1.783160|2.592484|2.990228|3.709767|3.819089|3.096131|2.633221|6.337991|6.941388|15.191624|9.637843|8.941447|17.834369|8.940326|5.642252|4.963128|5.678213|129.310622|0.035779|0.035136|0.032333|0.029504|0.028039|0.030031|0.034807|0.039791|0.039368|0.050356|0.046094|0.058203|0.053068|0.058863|0.053508|0.046515|0.050565|0.078380|0.116933|0.082652|0.064967|0.113864|0.144562|0.500000| |1.073871|1.045159|0.972478|0.943872|0.978397|1.052663|1.093221|1.195558|1.257797|2.145876|1.881338|1.454071|1.596277|2.352562|1.610112|1.463433|1.949932|2.179312|2.533881|2.573628|2.225142|1.970022|4.046542|3.772104|7.329302|5.670096|5.643818|8.987717|17.722331|8.918184|5.669751|4.993328|113.233133|0.031012|0.030613|0.028440|0.026132|0.024902|0.026428|0.030072|0.033801|0.033627|0.041267|0.038187|0.046101|0.042659|0.046826|0.043093|0.038662|0.041551|0.058618|0.077692|0.060573|0.050066|0.077392|0.098410|0.217023|0.500000| 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