Version2.1 2020-12-26T06:03:13Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)CN2C[C@@H](CC2=O)C(=O)NNC(=S)NC(=O)Cc3cccc4c3cccc4 C13623411 RHF 6-31G(d) (6D,7F) c1ccc(cc1)CN2C[C@@H](CC2=O)C(=O)NNC(=S)NC(=O)Cc3cccc4c3cccc4 C01[X(C25H24N4O3S1)] 165 C1 547 S=C(NC(=O)Cc1cccc2c1cccc2)NNC(=O)[C@H]1CN(C(=O)C1)Cc1ccccc1 S=C(NC(=O)Cc1cccc2c1cccc2)NNC(=O)[C@H]1CN(C(=O)C1)Cc1ccccc1 O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)[C@H]3CN(Cc4ccccc4)C(=O)C3 InChIKey=ZDRHTBYNBPNGLB-HXUWFJFHSA-N InChI=1S/C25H24N4O3S/c30-22(13-19-11-6-10-18-9-4-5-12-21(18)19)26-25(33)28-27-24(32)20-14-23(31)29(16-20)15-17-7-2-1-3-8-17/h1-12,20H,13-16H2,(H,27,32)(H2,26,28,30,33)/t20-/m1/s1 InChI=1/C25H24N4O3S/c30-22(13-19-11-6-10-18-9-4-5-12-21(18)19)26-25(33)28-27-24(32)20-14-23(31)29(16-20)15-17-7-2-1-3-8-17/h1-12,20H,13-16H2,(H,27,32)(H2,26,28,30,33)/t20-/m1/s1/f/h26-28H c1ccc(cc1)CN2C[C@@H](CC2=O)C(=O)NNC(=S)NC(=O)Cc3cccc4c3cccc4 C01[X(C25H24N4O3S1)] 165 C01 547 S=C(NC(=O)Cc1cccc2c1cccc2)NNC(=O)[C@H]1CN(C(=O)C1)Cc1ccccc1 S=C(NC(=O)C[C]1=[CH][CH]=[CH][C]2[C]1[CH]=[CH][CH]=[CH]2)NNC(=O)[C@H]1CN(C(=O)C1)C[C]1[CH][CH][CH][CH][CH]1 O=C(CC1=CC=C[C]2C=CC=C[C]12)NC(=S)NNC(=O)[C@H]3CN(C[C]4[CH][CH][CH][CH][CH]4)C(=O)C3 InChIKey=ZDRHTBYNBPNGLB-HXUWFJFHSA-N InChI=1S/C25H24N4O3S/c30-22(13-19-11-6-10-18-9-4-5-12-21(18)19)26-25(33)28-27-24(32)20-14-23(31)29(16-20)15-17-7-2-1-3-8-17/h1-12,20H,13-16H2,(H,27,32)(H2,26,28,30,33)/t20-/m1/s1 InChI=1/C25H24N4O3S/c30-22(13-19-11-6-10-18-9-4-5-12-21(18)19)26-25(33)28-27-24(32)20-14-23(31)29(16-20)15-17-7-2-1-3-8-17/h1-12,20H,13-16H2,(H,27,32)(H2,26,28,30,33)/t20-/m1/s1/f/h26-28H 3217.6800396771 -1800.6172329 1-A 24076.4072 121 426 547 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.88261 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1550.8567 1562.2081 1605.2534 1606.9046 1616.4792 1622.9197 1624.1164 1630.5587 1637.7279 1667.6522 1671.9450 1681.5116 1686.9016 1688.3423 1743.6794 1787.0526 1790.9746 1810.9329 1812.8273 1840.9751 1972.3959 2012.8964 2066.0779 3206.3528 3227.1152 3232.3587 3238.5812 3239.5699 3241.4190 3285.5659 3305.8416 3316.5408 3347.3527 3353.4448 3356.0335 3359.2438 3363.2808 3368.2484 3369.4361 3379.1964 3383.0018 3385.5446 3389.5463 3395.6567 3828.2306 3842.0222 3858.9075 6.2670 5.2059 6.9303 4.8558 7.5999 4.8983 9.1044 7.8083 5.2983 5.3009 7.8343 4.9049 5.9399 6.2130 4.5124 3.5187 5.5843 4.6531 4.7575 5.5188 6.9330 3.5412 6.1485 3.3182 4.0722 4.9382 5.8260 5.3114 2.0982 5.6998 2.9338 3.1515 3.1716 3.8818 3.2635 3.7036 4.8116 4.6285 3.4804 1.8892 3.6115 2.0512 3.3686 3.3272 3.8748 1.8852 3.2708 6.2241 2.9250 3.3796 4.7672 2.3658 4.4081 2.0299 2.9158 2.4963 1.6542 4.9887 2.5846 5.4338 3.1001 2.1594 2.9175 2.8956 2.4557 2.6061 1.2461 2.7052 2.2221 1.6495 1.6458 1.6675 2.0531 1.5681 4.6906 4.0856 1.3430 5.9056 3.9041 1.3571 1.3403 1.3361 2.4550 1.3318 3.4170 2.2286 2.3061 3.3875 2.3470 2.0840 2.9166 1.8997 2.1732 2.8335 1.5886 1.3464 1.7590 1.6213 1.2262 1.3227 1.7515 2.1744 1.2167 1.7498 1.3181 1.7078 2.1885 2.2245 1.6172 1.8367 1.9320 1.4895 3.1539 2.5349 3.5419 1.3972 1.7401 1.3559 1.8894 1.7878 2.2375 1.8812 1.1560 1.1933 2.0612 2.1088 1.1145 1.4553 2.1649 1.3593 3.0725 1.1321 1.5817 5.1911 6.6396 4.8851 5.2222 5.7536 11.4499 10.4757 10.4940 1.0621 1.0830 1.0700 1.0641 1.0662 1.1019 1.1075 1.1017 1.0973 1.0887 1.0883 1.0880 1.0884 1.0913 1.0906 1.0922 1.0957 1.0955 1.0979 1.0990 1.0968 1.0791 1.0787 1.0764 0.0000 0.0001 0.0010 0.0010 0.0029 0.0027 0.0073 0.0121 0.0102 0.0111 0.0220 0.0270 0.0544 0.0641 0.0553 0.0580 0.1151 0.1003 0.1105 0.1698 0.2292 0.1666 0.2971 0.1770 0.2329 0.3226 0.4093 0.4012 0.2036 0.6886 0.3606 0.3996 0.4042 0.5906 0.5188 0.6237 0.8460 0.8372 0.6413 0.3709 0.7588 0.4453 0.7466 0.8174 0.9711 0.4895 0.8867 1.6977 0.8133 0.9834 1.5109 0.7969 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5.3977 30.3321 0.0650 1.8181 3.0393 2.2923 0.1770 43.8360 8.5778 9.6078 50.5027 41.5977 9.3691 9.8616 11.3384 72.7917 13.6327 9.9385 16.1558 0.3466 44.9399 49.5305 15.4751 106.6250 0.8764 55.0627 14.4618 31.0240 0.4417 6.7372 39.2252 3.9951 3.9955 84.3181 72.5824 4.2739 3.2357 7.9986 0.2253 4.1386 1.6480 2.9688 12.4750 0.7708 5.8099 13.5351 13.2863 2.0112 0.7368 2.4910 5.1815 0.2444 0.8094 0.3026 2.2971 0.8470 2.3207 0.2304 20.3189 1.8904 19.2830 2.9979 48.9754 5.8996 28.1041 281.7214 20.9635 26.6689 277.3752 198.5399 3.2155 0.8580 26.1422 14.5811 2.4937 1.2069 19.4385 4.9370 210.4306 167.7151 91.6797 87.9713 67.8868 13.9219 7.6491 127.8155 2.7218 3.4718 10.3661 32.5171 6.9210 57.3235 150.6857 3.0326 26.6554 12.2371 5.1402 0.9795 20.1426 269.0614 7.7740 178.9360 12.0381 3.3334 596.2093 2.0576 1.2971 8.8893 0.7253 0.0451 531.1209 166.5015 171.0109 30.8990 15.7871 16.8548 47.9016 8.8988 11.3617 19.5722 13.6040 3.4169 12.0218 6.1989 2.1837 0.5408 15.7717 10.9461 17.5484 31.7302 46.5874 44.4109 21.0277 21.8889 40.4958 62.9871 81.3219 0.4596 4.5606 0.7732 1.3556 7.2942 9.3823 0.3659 1.0643 6.5349 4.4868 1.1425 2.9167 1.0230 2.4359 1.4634 0.3284 1.7133 0.7444 3.0322 1.5222 1.2973 0.2790 2.1445 1.4819 0.8143 1.1043 1.0320 1.1700 0.8397 1.7784 0.0695 0.8673 3.6351 0.8934 0.0491 2.3732 7.0362 10.6040 1.1024 2.1267 3.3056 1.2940 0.5372 2.9610 1.4531 0.5194 4.0148 4.5517 2.1888 4.6269 2.4794 6.5026 10.9095 2.8346 4.3206 7.1313 2.7448 3.1920 3.9045 0.4323 4.7947 4.8284 3.8768 12.8671 12.0962 0.7580 2.5051 6.6128 0.9877 0.7631 3.3709 3.7121 6.7978 0.7277 1.1346 4.0145 0.8693 20.8576 6.9037 0.0399 0.7637 1.8442 8.1867 0.1926 1.7086 3.5952 1.1796 6.1052 4.1777 1.3057 3.5523 2.4487 2.3915 6.5859 8.9449 3.8665 8.0792 5.4499 4.5731 3.1117 4.2764 5.8145 17.6779 2.8426 8.4866 2.2301 5.4977 1.6894 4.1394 2.3939 2.8711 5.6249 81.2377 13.5269 147.6704 4.3092 16.7920 2.6917 2.8153 5.1355 4.3180 36.9520 8.8129 11.1724 0.9483 7.3843 13.5984 9.8922 0.9796 1.0470 3.6025 5.4048 13.4955 8.1734 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14.00307 14.00307 12.00000 31.97207 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 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 11508.7742 35588.9408 41763.4492 0.99999 -0.00234 -0.00398 0.00226 0.99981 -0.01951 0.00402 0.01950 0.99980 1 0.00753 0.00243 0.00207 0.15681 0.05071 0.04321 4.37 9.07 22.07 27.49 36.33 44.04 53.11 73.70 82.17 85.64 99.22 139.18 179.41 190.35 207.58 240.60 269.12 275.25 285.62 328.74 340.79 406.62 412.06 432.92 448.24 479.07 496.80 515.15 583.83 651.51 657.18 667.42 669.20 731.15 747.31 769.22 786.00 797.21 804.64 830.52 859.18 873.31 882.46 929.09 938.38 955.13 975.97 978.96 988.40 1011.09 1055.24 1087.88 1121.59 1129.24 1165.52 1168.99 1188.98 1214.23 1221.97 1231.94 1245.37 1277.58 1287.77 1297.14 1305.89 1378.01 1387.66 1398.79 1407.28 1460.65 1477.36 1479.33 1512.00 1519.45 1541.10 1555.82 1563.88 1567.69 1571.39 1594.31 1596.93 1614.76 1626.04 1629.86 1637.54 1649.08 1677.74 1684.40 1693.97 1706.23 1756.33 1761.67 1771.92 1792.53 1836.60 1853.41 1857.62 1860.57 1875.67 1882.80 1886.84 1907.67 1928.35 1947.01 1965.39 1976.69 2002.55 2007.55 2016.75 2058.81 2103.39 2108.20 2110.94 2117.70 2146.73 2153.85 2190.76 2200.66 2231.34 2247.67 2309.60 2311.98 2325.75 2335.02 2336.74 2346.01 2356.33 2399.38 2405.56 2419.32 2427.08 2429.15 2508.77 2571.17 2576.81 2605.53 2608.25 2648.75 2837.84 2896.11 2972.63 4613.23 4643.10 4650.64 4659.60 4661.02 4663.68 4727.20 4756.37 4771.76 4816.09 4824.86 4828.58 4833.20 4839.01 4846.16 4847.87 4861.91 4867.38 4871.04 4876.80 4885.59 5507.97 5527.81 5552.11 0.491364 0.518765 0.519709 0.423663 -1800.125869 -1800.098468 -1800.097524 -1800.193570 3.221399D-04 MUNgauss RevisionA2.0 retrievium 26-Dec-2020 DUDE c1ccc(cc1)CN2C[C@@H](CC2=O)C(=O)NNC(=S)NC(=O)Cc3cccc4c3cccc4 C13623411 RHF 6-31G(d) (6D,10F) C1 460.156913 |X|Y|Z| 132.714951 40.117045 69.669314 71.850551 29 6 7 25 4 |36.858105| |13.720273|36.858105| |7.929825|13.779431|36.858105| |6.833709|7.906724|13.675535|36.858105| |7.939636|6.891618|7.958490|13.739471|36.858105| |13.779286|7.950292|6.879064|7.898410|13.721607|36.858105| |4.425857|5.016956|7.553612|12.560724|7.537206|5.003836|36.858105| |3.765290|4.297865|6.022212|7.667150|5.473488|4.078694|13.125278|53.358707| |3.544670|3.811660|4.810562|5.981425|5.081872|3.937361|7.502838|17.899588|36.858105| |2.852532|3.105588|3.757515|4.201606|3.629828|3.029319|5.101038|11.114845|12.391157|36.858105| |2.546325|2.734953|3.276051|3.712903|3.276069|2.732495|4.665043|9.338483|8.860563|17.552094|0.500000| |2.869892|3.283067|4.071478|4.225966|3.437919|2.919924|5.118322|11.161840|7.921212|12.373258|0.245786|36.858105| |3.304207|3.916895|5.316958|5.631491|4.156231|3.372944|7.740379|19.164909|8.123291|7.917230|0.184405|12.536643|36.858105| |3.173283|3.868069|5.238044|5.123840|3.767181|3.145631|6.651252|11.378886|5.448410|5.348475|0.134766|7.867400|15.912065|73.516695| |2.636825|2.805394|3.205855|3.454577|3.152720|2.767294|3.809418|7.078296|7.470567|12.575945|0.246839|7.498414|5.121168|7.000558|36.858105| |2.829441|2.980849|3.308030|3.487640|3.251515|2.936981|3.609740|6.361204|6.535953|7.966201|0.164179|5.978426|4.508239|6.375135|16.016303|73.516695| |2.215261|2.333422|2.618897|2.801645|2.602657|2.320308|3.106870|5.445989|5.146101|7.818779|0.211454|5.639543|4.052728|5.883578|13.759666|15.043122|53.358707| |2.023509|2.113795|2.308521|2.416530|2.283508|2.093325|2.588700|4.325374|3.894778|5.142297|0.136584|4.259660|3.241384|4.913636|8.006029|12.529707|18.866618|53.358707| |1.907314|1.953094|2.096773|2.209451|2.143034|1.989320|2.328418|3.755037|3.373248|4.069201|0.110278|3.363141|2.728513|4.201415|5.765795|10.002666|10.765055|18.912893|36.858105| |1.742485|1.776926|1.868821|1.931702|1.887195|1.791967|1.991118|3.125356|2.701875|3.114116|0.083317|2.746319|2.294408|3.627128|4.095305|7.615936|6.666441|9.969025|11.550551|388.023441| |1.914574|1.936598|2.088569|2.251102|2.215573|2.035519|2.396811|3.827042|3.499500|4.083902|0.115243|3.223512|2.695936|4.127568|5.435512|9.047409|9.737198|11.384615|14.007663|49.958460|53.358707| |1.776339|1.770354|1.884972|2.037139|2.045128|1.900222|2.144285|3.312932|2.954235|3.249566|0.092376|2.646044|2.306054|3.593738|3.983118|6.882587|6.422237|7.114490|7.606636|41.144313|18.473608|36.858105| |1.652364|1.642076|1.727436|1.844055|1.857755|1.752154|1.915280|2.919290|2.544417|2.765382|0.077567|2.332896|2.051986|3.243326|3.345812|5.954371|5.256973|6.070842|6.453757|43.449040|11.318317|16.165639|73.516695| |1.791276|1.770194|1.895757|2.088954|2.122363|1.949577|2.223750|3.383908|3.012978|3.199616|0.093629|2.568389|2.302810|3.587728|3.667319|6.179794|5.650016|5.612550|5.084009|28.340199|10.748735|12.480193|14.122745|36.858105| |1.653477|1.615610|1.707125|1.872942|1.931352|1.801097|1.964312|2.907507|2.515247|2.587857|0.074866|2.151829|1.977960|3.134660|2.877153|4.980534|4.263027|4.296496|3.791367|23.456791|6.878521|7.457863|11.868807|12.614874|36.858105| |1.495489|1.466939|1.550150|1.692409|1.735524|1.620542|1.785029|2.621092|2.212943|2.290657|0.067079|1.946303|1.802135|2.890565|2.488622|4.257331|3.718185|3.745570|3.212115|20.421927|5.523724|5.467366|9.300008|7.683793|14.009092|36.858105| |1.391752|1.357116|1.421596|1.544702|1.595358|1.505410|1.613099|2.332480|1.937648|1.976062|0.057328|1.711286|1.605812|2.602625|2.120420|3.674865|3.103527|3.135620|2.640756|17.437971|4.311173|4.030309|7.245832|5.013686|7.863381|13.460580|36.858105| |1.411977|1.364538|1.417018|1.538028|1.605967|1.530434|1.585198|2.272125|1.887955|1.894477|0.054202|1.646246|1.555555|2.524299|2.036527|3.590897|2.920401|2.957432|2.488833|16.714841|3.994576|3.689847|6.761662|4.416289|6.793201|7.943129|14.064863|36.858105| |1.547867|1.485738|1.537293|1.673580|1.762855|1.685979|1.709245|2.453814|2.068569|2.053486|0.058046|1.765552|1.665344|2.683009|2.235466|4.002029|3.161936|3.206023|2.730890|18.269841|4.425577|4.153171|7.583981|4.957578|7.781343|6.846059|7.904919|13.407714|36.858105| |1.693028|1.632088|1.702150|1.864210|1.955366|1.850688|1.915581|2.793246|2.410536|2.410289|0.068130|2.025043|1.885422|2.998972|2.676816|4.785098|3.814546|3.863184|3.374589|21.785410|5.758616|5.768250|10.031847|7.433179|13.300803|7.899981|6.789745|7.785124|13.504989|36.858105| |1.881965|1.798108|1.862278|2.041174|2.165117|2.065517|2.062860|3.010447|2.643101|2.593501|0.071560|2.161945|2.012203|3.177433|2.931430|5.411857|4.044929|4.099039|3.582823|23.153724|5.985848|5.617408|9.617924|6.374216|7.597357|5.108041|4.507988|5.103305|7.843184|13.404324|36.858105| |1.875240|1.767157|1.800919|1.960043|2.109691|2.055648|1.941697|2.782068|2.398266|2.307846|0.062900|1.968083|1.859629|2.965960|2.568346|4.828948|3.461888|3.512846|2.984002|20.079788|4.686073|4.093848|7.309431|4.381658|5.086402|3.941193|3.783972|4.522908|6.825311|7.864158|14.014684|36.858105| |1.682826|1.584963|1.608461|1.741480|1.872954|1.835955|1.727459|2.445711|2.060141|1.988374|0.054696|1.726936|1.647147|2.658852|2.170006|4.024833|2.950796|2.995308|2.509084|17.211586|3.876318|3.375262|6.173555|3.656471|4.489261|3.786375|3.946930|5.128946|7.881888|6.775198|7.915226|13.481332|36.858105| |1.547374|1.470493|1.503890|1.629567|1.735188|1.684230|1.638780|2.325052|1.944465|1.901110|0.053050|1.654142|1.575189|2.551270|2.059831|3.748697|2.854136|2.896344|2.431318|16.618203|3.804093|3.395522|6.259575|3.805489|5.084309|4.533928|5.138971|7.707565|13.424160|7.796462|6.858280|7.944916|14.028462|36.858105| |17.716747|8.899497|5.642508|4.931522|5.643757|8.918776|3.541223|4.248816|3.002035|2.500773|0.062553|2.515105|2.815008|4.850287|2.367321|4.547408|2.751590|2.554820|1.786353|11.778546|2.431336|1.671994|2.791431|1.678419|1.564779|1.419259|1.330043|1.356390|1.487093|1.613792|1.795521|1.810186|1.635889|1.499016|0.500000| |8.904465|17.715310|8.935822|5.633685|4.961511|5.651089|4.094160|5.018863|3.298327|2.818626|0.069269|3.052752|3.550300|6.418683|2.592586|4.912092|2.976545|2.734654|1.853980|12.155558|2.474301|1.662742|2.763051|1.647545|1.508600|1.376396|1.277352|1.283794|1.392570|1.522719|1.670848|1.646224|1.484673|1.380410|0.214629|0.500000| |5.640839|8.922869|17.707999|8.908626|5.655842|4.954446|7.031009|8.376380|4.638774|3.846458|0.093153|4.483403|6.148853|11.777276|3.227158|5.813657|3.612233|3.176164|2.087615|13.240259|2.799877|1.841141|3.002291|1.838344|1.647385|1.504645|1.376903|1.364025|1.470155|1.627364|1.764806|1.695291|1.519294|1.430355|0.124082|0.215508|0.500000| |5.650961|4.959680|5.648941|8.915298|17.691665|8.923203|6.985165|7.088103|5.090574|3.609564|0.093061|3.277026|3.872507|6.151933|3.131038|5.642714|3.570025|3.113576|2.170627|13.472141|3.114603|2.133489|3.421767|2.259377|2.062926|1.850437|1.699638|1.711931|1.882161|2.090496|2.309190|2.241692|1.989827|1.847685|0.124219|0.107635|0.124178|0.500000| |8.918391|5.647351|4.954961|5.632007|8.911623|17.714754|4.084419|4.694857|3.448709|2.720826|0.069225|2.575714|2.891441|4.794781|2.541369|4.806087|2.952324|2.693926|1.911067|12.331970|2.683161|1.868398|3.079080|1.930104|1.807972|1.626052|1.522166|1.560769|1.726941|1.881285|2.109503|2.131438|1.913671|1.743496|0.214782|0.124127|0.107546|0.215711|0.500000| |3.978899|4.189939|5.599928|8.885832|7.281523|4.763923|17.563023|12.552904|6.873644|4.714381|0.126587|4.376084|5.877368|9.061359|3.595906|5.995508|4.098961|3.414203|2.295074|13.882995|3.286439|2.189474|3.457745|2.322084|2.060971|1.875211|1.694902|1.664684|1.793172|2.008113|2.150763|2.018593|1.800451|1.714543|0.090554|0.096359|0.141457|0.222999|0.113346|0.500000| |3.976854|4.661816|6.912978|8.868301|5.787610|4.260579|17.638966|12.704448|5.621270|4.398710|0.115401|4.763095|7.522464|13.718054|3.341418|5.584316|3.832627|3.233658|2.130684|13.106002|2.960635|1.954162|3.127810|2.018853|1.796531|1.652790|1.501716|1.470787|1.570916|1.744425|1.857191|1.752937|1.576961|1.506384|0.090528|0.110158|0.201385|0.148313|0.098425|0.302518|0.500000| |4.035384|4.280928|5.221035|6.279241|5.574569|4.463304|6.503556|12.302092|17.587327|8.751921|0.175003|6.561837|6.514474|8.453286|7.223851|13.416469|6.554777|5.249028|3.403536|19.790954|4.719222|2.948144|4.571841|2.947154|2.489400|2.166161|1.910213|1.885116|2.091928|2.439192|2.742657|2.525210|2.144471|1.991676|0.094301|0.101644|0.133985|0.148424|0.107485|0.161454|0.136814|0.500000| |3.328423|3.427482|4.181266|5.425495|5.052416|3.855871|6.849284|12.398102|17.574501|8.705214|0.223605|5.729426|5.967659|7.901288|6.210363|9.695485|6.473297|4.968986|3.293123|18.642032|4.870492|3.096017|4.678044|3.292414|2.744453|2.401207|2.092086|2.036293|2.237004|2.623004|2.865241|2.574283|2.205960|2.089330|0.079061|0.082134|0.109108|0.153249|0.096743|0.205560|0.143197|0.300863|0.500000| |2.973627|3.452668|4.168545|4.082675|3.349614|2.940147|4.525587|8.896381|6.578736|8.722037|0.174382|17.547999|8.992922|11.987997|7.220677|11.617491|7.218028|5.848137|3.379683|20.173111|4.261717|2.572803|4.093389|2.442492|2.064849|1.860853|1.646214|1.595267|1.719405|1.966700|2.122042|1.950685|1.708069|1.624022|0.072947|0.090980|0.128764|0.086612|0.071813|0.106411|0.117012|0.175994|0.134646|0.500000| |2.492218|2.826669|3.415978|3.503793|2.919826|2.523596|4.229069|8.209680|5.706598|8.579990|0.219558|17.614579|8.838499|12.532218|6.169498|8.680594|7.353341|5.672851|3.254023|19.043204|4.210137|2.544635|4.010517|2.461947|2.067388|1.896061|1.667285|1.590765|1.687286|1.923683|2.021299|1.835120|1.626194|1.572839|0.061635|0.074361|0.105328|0.078260|0.062740|0.104070|0.114958|0.134152|0.128186|0.301179|0.500000| |2.092996|2.222037|2.516625|2.689635|2.468506|2.187204|3.057268|5.365089|4.781740|7.461825|0.231506|5.792653|4.126595|6.069334|9.301506|10.936627|25.983799|12.994203|6.193824|29.914591|7.967297|4.161831|6.156910|3.807455|2.924868|2.623902|2.197708|2.045145|2.175615|2.583167|2.672113|2.302763|1.999345|1.957799|0.053022|0.058062|0.071791|0.069241|0.056681|0.082538|0.078519|0.118759|0.123871|0.143171|0.168088|0.500000| |2.029401|2.138249|2.317493|2.375800|2.228698|2.066745|2.507214|4.170249|3.654132|4.738990|0.121010|4.236171|3.199769|4.915612|7.123158|12.341936|12.790494|25.990732|9.549460|51.260619|8.235971|4.275868|6.863387|3.442660|2.758207|2.434019|2.082557|1.985714|2.150428|2.542349|2.720681|2.392431|2.056096|1.974724|0.052534|0.057064|0.065592|0.061148|0.054055|0.066465|0.064397|0.102822|0.092710|0.124951|0.115478|0.205028|0.500000| |2.019971|2.051405|2.246256|2.458105|2.403130|2.167572|2.672266|4.344000|4.079134|4.882419|0.142612|3.642230|3.022067|4.547846|6.435996|9.852476|11.968398|11.082953|9.563554|38.076424|26.036284|9.336414|10.842839|7.836652|4.854559|3.946904|3.074523|2.833299|3.116840|4.027786|4.170766|3.287770|2.732020|2.684126|0.051828|0.053050|0.061466|0.069488|0.057947|0.075327|0.066857|0.108849|0.118038|0.095419|0.096495|0.198484|0.160239|0.500000| |1.980596|1.947670|2.098548|2.349363|2.405974|2.184835|2.507668|3.828548|3.511109|3.629541|0.105752|2.817385|2.543643|3.908028|4.125878|6.945826|6.069971|5.700903|4.911204|26.622273|10.096085|8.897769|10.786586|17.528720|8.853773|5.858811|4.261530|3.960199|4.603752|6.810767|6.723162|4.620085|3.711622|3.712336|0.051155|0.049854|0.056049|0.071955|0.060062|0.073422|0.062271|0.095380|0.109714|0.073854|0.073596|0.111364|0.097151|0.231454|0.500000| |1.717951|1.712644|1.850072|2.039469|2.046983|1.864425|2.209617|3.377791|2.961262|3.216602|0.097306|2.594923|2.321353|3.629150|3.584646|5.823162|5.711615|5.533259|4.773433|26.293316|9.663412|9.007130|11.245190|17.529296|8.937735|7.456350|4.806577|4.002018|4.170820|5.548991|4.724973|3.537181|3.085798|3.263606|0.044578|0.044356|0.050243|0.060533|0.050960|0.064282|0.056239|0.078461|0.089966|0.067539|0.070286|0.111696|0.093522|0.211958|0.304654|0.500000| |1.456242|1.440009|1.531438|1.669411|1.693724|1.571886|1.780376|2.631228|2.206988|2.324393|0.069090|1.981372|1.824833|2.932067|2.507746|4.213166|3.826079|3.837421|3.247871|20.372220|5.570033|5.278484|8.747528|7.153796|9.021721|17.704945|8.862061|5.671144|4.937315|5.615954|4.129717|3.283666|3.129651|3.609709|0.038280|0.037601|0.041565|0.050027|0.043517|0.051888|0.046063|0.059259|0.066288|0.052265|0.054205|0.076430|0.068812|0.112181|0.150608|0.230973|0.500000| |1.300302|1.272065|1.332851|1.442996|1.483704|1.400848|1.511236|2.177675|1.786805|1.829184|0.053298|1.602712|1.509164|2.462836|1.943220|3.350320|2.851352|2.877932|2.387277|15.901826|3.814128|3.436437|6.195803|4.109231|5.632433|8.832585|17.721359|9.005681|5.616956|4.909221|3.593820|3.130093|3.291987|4.155717|0.034564|0.033362|0.035997|0.043798|0.039284|0.044071|0.039362|0.048689|0.053341|0.042773|0.043685|0.056765|0.053439|0.076008|0.098799|0.114892|0.215222|0.500000| |1.330488|1.283135|1.326002|1.433146|1.499191|1.437816|1.470303|2.090654|1.717638|1.715805|0.048947|1.509052|1.435663|2.345900|1.829709|3.236897|2.605397|2.638858|2.191845|14.937665|3.433986|3.068367|5.663892|3.534809|4.909817|5.632578|9.003548|17.709010|8.833584|5.580264|4.156373|3.947616|4.718017|7.096273|0.035667|0.033632|0.035461|0.044294|0.040874|0.042843|0.038079|0.047722|0.051215|0.040730|0.040583|0.050930|0.049736|0.067858|0.090215|0.091025|0.124366|0.215925|0.500000| |2.036234|1.956239|2.039778|2.242643|2.364165|2.236002|2.271845|3.373381|3.043224|3.001681|0.081936|2.445799|2.244441|3.498201|3.494974|6.531242|4.787840|4.839682|4.298100|26.632554|7.398567|6.735151|10.681664|7.208728|6.924184|4.647228|3.905812|4.134368|5.592277|8.788960|17.744454|9.074724|5.646077|4.946947|0.053555|0.050304|0.053681|0.069788|0.062801|0.065436|0.056280|0.088543|0.091496|0.066793|0.062899|0.085629|0.087995|0.142847|0.231389|0.142854|0.110014|0.089155|0.095644|0.500000| 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