Version2.0 2020-01-10T04:11:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COCC[NH2+][C@H]1C[C@H](N2[C@H](C1)C3=NC4=CC=CCC4=C3C[C@H]2C(=O)OC)c5ccc(cc5)C(F)(F)F C39560839 RHF 6-31G(d) (6D,7F) COCC[NH2+][C@H]1C[C@H](N2[C@H](C1)C3=NC4=CC=CCC4=C3C[C@H]2C(=O)OC)c5ccc(cc5)C(F)(F)F C01[X(C27H31F3N3O3)] 195 C1 602 COCC[NH2+][C@@H]1C[C@@H]2C3=NC4=CC=CCC4=C3C[C@H](N2[C@@H](C1)c1ccc(cc1)C(F)(F)F)C(=O)OC COCC[NH2+][C@@H]1C[C@@H]2C3=NC4=CC=CCC4=C3C[C@H](N2[C@@H](C1)c1ccc(cc1)C(F)(F)F)C(=O)OC COCC[NH2+][C@H]1C[C@H](N2[C@@H](CC3=C4CC=CC=C4N=C3[C@H]2C1)C(=O)OC)c5ccc(cc5)C(F)(F)F InChIKey=RUMILYFLHUHZSS-ABQRKTDGSA-O InChI=1S/C27H30F3N3O3/c1-35-12-11-31-18-13-22(16-7-9-17(10-8-16)27(28,29)30)33-23(14-18)25-20(15-24(33)26(34)36-2)19-5-3-4-6-21(19)32-25/h3-4,6-10,18,22-24,31H,5,11-15H2,1-2H3/p+1/t18-,22-,23+,24-/m0/s1 InChI=1/C27H30F3N3O3/c1-35-12-11-31-18-13-22(16-7-9-17(10-8-16)27(28,29)30)33-23(14-18)25-20(15-24(33)26(34)36-2)19-5-3-4-6-21(19)32-25/h3-4,6-10,18,22-24,31H,5,11-15H2,1-2H3/p+1/t18-,22-,23+,24-/m0/s1/fC27H31F3N3O3/h31H/q+1 COCC[NH2+][C@H]1C[C@H](N2[C@H](C1)C3=NC4=CC=CCC4=C3C[C@H]2C(=O)OC)c5ccc(cc5)C(F)(F)F C01[X(C27H31F3N3O3)] 195 C01 602 COCC[NH2+][C@@H]1C[C@@H]2C3=NC4=CC=CCC4=C3C[C@H](N2[C@@H](C1)c1ccc(cc1)C(F)(F)F)C(=O)OC COCC[NH2][C@@H]1C[C@@H]2C3=NC4=CC=CCC4=C3C[C@H](N2[C@@H](C1)c1ccc(cc1)C(F)(F)F)C(=O)OC COCC[NH2][C@H]1C[C@H](N2[C@@H](CC3=C4CC=CC=C4N=C3[C@H]2C1)C(=O)OC)c5ccc(cc5)C(F)(F)F InChIKey=IPIXRHKABZTZFB-ABQRKTDGSA-N InChI=1S/C27H31F3N3O3/c1-35-12-11-31-18-13-22(16-7-9-17(10-8-16)27(28,29)30)33-23(14-18)25-20(15-24(33)26(34)36-2)19-5-3-4-6-21(19)32-25/h3-4,6-10,18,22-24H,5,11-15,31H2,1-2H3/t18-,22-,23+,24-/m0/s1 InChI=1/C27H31F3N3O3/c1-35-12-11-31-18-13-22(16-7-9-17(10-8-16)27(28,29)30)33-23(14-18)25-20(15-24(33)26(34)36-2)19-5-3-4-6-21(19)32-25/h3-4,6-10,18,22-24H,5,11-15,31H2,1-2H3/t18-,22-,23+,24-/m0/s1 3982.5648269085 -1726.537816 1-A 22323.7170 132 470 602 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.40263 -26.39725 -26.39592 -20.70764 -20.69074 -20.63601 -15.83857 -15.66553 -15.62329 -11.56823 -11.46108 -11.43918 -11.43115 -11.43033 -11.38931 -11.37801 -11.36725 -11.36414 -11.36255 -11.35709 -11.35427 -11.35382 -11.34277 -11.33734 -11.33373 -11.33274 -11.33262 -11.32938 -11.32933 -11.32640 -11.32243 -11.32132 -11.32064 -11.31902 -11.30900 -11.30533 -1.79859 -1.69727 -1.69188 -1.55909 -1.53285 -1.47301 -1.45258 -1.37098 -1.34561 -1.26373 -1.23551 -1.21172 -1.19029 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 5.8590 14.6825 17.2366 24.1522 29.7012 35.0177 54.6416 60.2306 69.4772 77.3124 87.7819 96.5772 104.2784 113.1001 128.5982 147.3803 154.3653 170.7022 171.9889 182.3684 190.1280 206.0311 215.9982 239.2896 242.4101 248.3897 263.8859 266.4512 288.8519 306.9532 321.7332 350.7628 362.1941 375.1764 392.9725 414.5557 433.2312 437.8346 450.6522 458.8577 493.8258 499.6657 507.7156 524.2722 536.6826 562.0534 580.1118 590.2036 604.7720 620.8540 630.7146 653.3610 663.0158 683.4723 698.1380 708.8588 711.8244 733.2688 743.1003 779.3285 797.6205 826.7441 833.8541 838.7283 863.4017 867.1852 896.1544 913.8121 930.9465 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3215.2705 3216.2827 3219.0894 3226.0709 3250.5426 3260.8904 3263.0098 3278.3009 3282.3019 3286.3685 3293.1017 3295.4492 3297.9276 3346.1321 3347.0536 3365.7021 3367.2345 3368.8048 3370.0631 3374.2053 3386.9761 3393.9501 3398.5115 3413.3975 3651.2207 3714.9178 17.8758 5.7562 4.7777 5.4239 5.1754 4.6541 4.9816 3.9074 3.8976 3.3805 4.0662 3.5687 2.9309 5.4769 4.2934 2.3202 2.9779 1.8036 3.7701 2.6424 5.0263 1.6892 4.2078 3.1067 3.9353 2.3151 4.7898 2.6219 4.2527 3.2181 4.3416 3.6866 3.2193 4.1393 5.3019 4.8187 5.0608 5.0600 4.2414 2.9977 3.9000 4.0199 2.4950 2.7506 5.1617 4.8422 4.4920 5.6452 4.5295 3.3915 11.3871 3.8743 4.4514 3.3934 6.8690 4.9882 4.3200 4.0598 5.1835 4.6748 1.6051 3.8030 3.9959 6.7640 3.2369 1.3957 4.5715 3.0750 3.9417 2.5210 2.1452 1.5090 1.4410 2.7368 2.5884 2.5809 2.1297 2.4534 2.6704 3.7458 1.5309 3.1196 2.4424 2.4720 1.5364 3.3713 2.5145 1.5193 1.3685 2.2985 2.8850 2.5769 2.3214 2.5721 2.6594 2.0716 3.7128 2.8837 2.7708 1.8738 2.7704 2.4266 1.9997 1.2688 1.4543 1.5668 1.7123 1.4802 1.5512 1.2358 1.7174 1.4815 1.7463 12.3807 1.4641 1.6043 1.3121 4.3237 2.0133 2.1313 1.3294 1.4447 1.4212 1.5067 1.4583 1.5591 1.3202 3.1073 1.9873 1.7859 1.3149 1.5116 1.4775 1.9203 1.7318 1.6380 1.5067 1.8049 1.2828 1.4211 2.1479 1.1005 2.0009 1.4232 1.1119 1.1344 1.1486 1.2078 1.0972 1.0472 1.0478 1.0545 1.1213 1.0704 1.0984 9.1545 2.5963 6.0318 8.6217 1.0778 5.3869 9.6277 6.6950 11.6325 1.0617 1.0644 1.0822 1.1002 1.0811 1.0359 1.0717 1.0666 1.0649 1.1000 1.0292 1.0907 1.1007 1.1077 1.0968 1.0946 1.0693 1.0842 1.1035 1.1096 1.1093 1.1095 1.0877 1.0916 1.0895 1.0960 1.0960 1.0965 1.0943 1.0565 1.0943 0.0004 0.0007 0.0008 0.0019 0.0027 0.0034 0.0088 0.0084 0.0111 0.0119 0.0185 0.0196 0.0188 0.0413 0.0418 0.0297 0.0418 0.0310 0.0657 0.0518 0.1071 0.0422 0.1157 0.1048 0.1362 0.0842 0.1965 0.1097 0.2091 0.1786 0.2648 0.2672 0.2488 0.3433 0.4824 0.4879 0.5596 0.5715 0.5075 0.3719 0.5604 0.5913 0.3789 0.4454 0.8760 0.9013 0.8907 1.1586 0.9761 0.7702 2.6689 0.9744 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1 1 1 1 1 1 1 12.00000 15.99491 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 1.00783 12.00000 12.00000 1.00783 14.00307 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 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 17874.5900 26339.7828 38434.1665 0.99781 -0.06539 -0.00979 0.06533 0.99784 -0.00636 0.01018 0.00570 0.99993 1 0.00485 0.00329 0.00225 0.10097 0.06852 0.04696 8.43 21.12 24.80 34.75 42.73 50.38 78.62 86.66 99.96 111.24 126.30 138.95 150.03 162.73 185.02 212.05 222.10 245.60 247.45 262.39 273.55 296.43 310.77 344.28 348.77 357.38 379.67 383.36 415.59 441.64 462.90 504.67 521.12 539.80 565.40 596.45 623.32 629.95 648.39 660.19 710.51 718.91 730.49 754.31 772.17 808.67 834.65 849.17 870.13 893.27 907.46 940.04 953.93 983.36 1004.46 1019.89 1024.16 1055.01 1069.16 1121.28 1147.60 1189.50 1199.73 1206.74 1242.24 1247.69 1289.37 1314.77 1339.42 1366.95 1376.74 1386.59 1389.09 1406.66 1411.37 1444.54 1470.55 1473.84 1502.77 1512.45 1549.22 1564.75 1571.97 1578.00 1586.36 1601.45 1602.89 1606.53 1615.50 1617.24 1633.12 1656.96 1694.14 1696.26 1708.03 1732.00 1744.61 1761.19 1783.88 1807.11 1826.77 1834.36 1848.99 1864.49 1866.87 1874.78 1884.38 1890.62 1897.71 1900.96 1904.47 1920.05 1924.35 1953.77 1963.97 1973.21 1998.27 2003.19 2009.26 2023.05 2053.81 2063.71 2068.85 2082.29 2109.56 2119.18 2128.12 2131.35 2133.98 2160.43 2170.35 2173.65 2199.05 2212.22 2214.37 2217.11 2235.22 2243.64 2249.19 2258.90 2265.71 2276.46 2291.99 2312.26 2333.02 2342.89 2352.62 2354.20 2358.25 2362.42 2364.07 2367.91 2369.75 2377.36 2417.29 2428.40 2443.75 2562.48 2590.69 2633.02 2637.88 2651.21 2714.45 2856.78 4581.09 4587.09 4607.55 4614.29 4625.14 4626.06 4627.51 4631.55 4641.60 4676.81 4691.69 4694.74 4716.74 4722.50 4728.35 4738.04 4741.42 4744.98 4814.34 4815.66 4842.49 4844.70 4846.96 4848.77 4854.73 4873.10 4883.14 4889.70 4911.12 5253.29 5344.94 0.598748 0.629717 0.630661 0.530629 -1725.939068 -1725.908099 -1725.907155 -1726.007187 3.355090D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2020 DUDE COCC[NH2+][C@H]1C[C@H](N2[C@H](C1)C3=NC4=CC=CCC4=C3C[C@H]2C(=O)OC)c5ccc(cc5)C(F)(F)F C39560839 RHF 6-31G(d) (6D,10F) C1 502.231752 |X|Y|Z| 110.370776 91.572520 41.909051 75.100419 23 6 7 21 2 |36.858105| |13.505689|73.516695| |8.056154|24.363019|36.858105| |5.225196|14.557994|12.541442|36.858105| |4.742951|12.706316|7.776777|12.742951|53.358707| |5.492443|15.489516|7.528028|9.371074|25.628122|0.500000| |4.564320|11.339841|7.182060|9.275071|25.676906|0.329494|0.500000| |3.502147|8.335293|4.933260|7.405982|17.121775|0.253111|0.256469|36.858105| |3.162985|7.304827|4.630397|7.079328|12.449721|0.180677|0.217276|17.586764|0.500000| |3.301556|7.672061|4.270444|5.983667|10.361270|0.199618|0.158070|12.523327|0.244772|36.858105| |2.610244|5.690911|3.194024|4.131699|6.695619|0.129591|0.115880|7.539451|0.186489|12.342215|36.858105| |2.439212|5.276354|3.072023|4.021443|6.193971|0.114507|0.109827|6.856151|0.199291|8.900861|17.534171|0.500000| |2.442785|5.207742|2.877193|3.551519|6.059513|0.119994|0.111684|6.570854|0.158494|7.714594|12.983238|0.251169|53.358707| |2.509943|5.376621|3.043151|3.777319|6.795384|0.128183|0.133007|7.673286|0.190973|6.600836|7.823043|0.195901|17.628346|36.858105| |2.364088|5.041271|2.950183|3.711181|6.329842|0.114283|0.125617|7.051575|0.208171|5.870517|7.090799|0.212077|12.275967|17.514424|0.500000| |3.092560|6.902413|3.889225|4.953045|10.521227|0.192512|0.209731|12.548229|0.245938|7.652867|6.531082|0.159470|10.517671|12.466332|0.248178|36.858105| |2.242221|4.633991|2.585011|3.026510|5.248207|0.103013|0.108081|4.998004|0.127984|4.446908|5.056950|0.129762|10.576081|12.656560|0.251476|7.693402|36.858105| |2.201058|4.485480|2.522815|2.880441|4.955604|0.096725|0.107222|4.383230|0.115238|3.701837|3.915251|0.103755|7.090348|7.774515|0.188408|6.559040|14.876461|53.358707| |1.945536|3.869920|2.152405|2.393610|3.962232|0.079152|0.084685|3.364426|0.088888|3.016341|3.241951|0.085895|5.742046|5.323186|0.133323|4.543606|9.012553|18.590563|36.858105| |1.805257|3.526711|1.966181|2.138369|3.458026|0.069283|0.074871|2.817713|0.075427|2.527014|2.652539|0.071145|4.438894|3.940447|0.102837|3.607532|5.575111|10.565737|14.266952|36.858105| |1.613853|3.110688|1.723372|1.853986|2.932901|0.059366|0.062579|2.363936|0.063350|2.189748|2.319691|0.062209|3.814362|3.182377|0.083550|2.900890|4.237707|6.891737|7.860943|13.009591|36.858105| |1.555503|2.999096|1.651129|1.783285|2.807074|0.057188|0.058888|2.286933|0.060973|2.177154|2.354236|0.062725|3.908372|3.128660|0.081370|2.773946|4.145808|6.154304|6.739244|7.806603|14.332466|36.858105| |1.640835|3.200151|1.754212|1.922664|3.055103|0.062388|0.063087|2.556058|0.067489|2.484517|2.770120|0.072858|4.785795|3.722350|0.094493|3.138195|5.130726|6.911784|7.413263|6.506111|7.626336|12.653093|36.858105| |1.848460|3.670728|2.020137|2.255358|3.683571|0.074572|0.076257|3.181017|0.083262|3.024519|3.406733|0.088831|6.267589|5.203952|0.127155|4.139551|8.574057|11.066093|13.050470|7.803543|6.731401|7.618621|12.718398|36.858105| |1.995481|4.036710|2.219665|2.539423|4.214428|0.085040|0.085193|3.830339|0.098686|3.736293|4.445746|0.112925|9.171062|7.347665|0.166110|5.106482|13.087907|11.243145|8.524912|5.438138|4.600729|4.982647|7.288626|14.176601|36.858105| |1.945489|3.935860|2.148010|2.469682|4.002054|0.081648|0.078274|3.664264|0.093987|3.904869|5.029116|0.123794|10.522402|6.307785|0.146311|4.464851|7.431518|7.035648|5.114355|3.838611|3.505760|3.919136|5.559166|7.273150|12.731422|36.858105| |2.063691|4.260541|2.359041|2.806382|4.519309|0.090204|0.085844|4.404535|0.114515|4.999990|7.699383|0.187126|17.701332|7.734967|0.186444|5.029543|6.777062|6.359516|4.172177|3.238517|2.890335|3.080560|3.952063|5.025950|7.674814|12.387080|36.858105| |2.011888|4.125282|2.264125|2.669193|4.181521|0.084748|0.078301|3.936631|0.102040|4.767338|7.333652|0.174074|12.529449|5.652729|0.140882|4.206930|4.969239|5.074186|3.429823|2.775884|2.544784|2.735503|3.446208|4.088682|5.626735|8.987033|17.633575|0.500000| |1.874142|3.841442|2.183916|2.602437|4.046719|0.078446|0.078112|3.885710|0.108892|4.175320|6.091395|0.181639|10.332101|6.297594|0.187254|4.240228|5.648091|5.800049|3.847351|3.079946|2.766396|2.920345|3.624330|4.444846|6.009291|7.443890|12.451257|0.254191|36.858105| |1.916752|3.960246|2.301687|2.794505|4.286785|0.080798|0.082874|4.192766|0.124519|4.344852|6.179726|0.212763|9.177075|6.333002|0.219561|4.379473|5.223333|5.644581|3.594908|2.936280|2.591926|2.656223|3.153782|3.861639|4.922130|5.331611|7.886540|0.177144|15.981826|73.516695| |1.669259|3.360037|1.900093|2.207697|3.367223|0.066156|0.065708|3.071384|0.085751|3.281946|4.404814|0.127709|7.096177|4.533261|0.130922|3.338717|4.509632|4.943090|3.515793|2.907992|2.721590|2.957948|3.703068|4.217970|5.260056|6.693970|8.084801|0.203284|14.489715|15.319959|73.516695| |1.529381|3.054173|1.748410|2.016964|3.006117|0.058539|0.059183|2.678024|0.076785|2.798410|3.567198|0.107718|5.346142|3.652054|0.110182|2.838708|3.623485|4.235080|3.036000|2.615392|2.477411|2.654557|3.158968|3.462807|3.984866|4.521283|5.157596|0.134889|8.130940|12.787668|23.782625|36.858105| |2.419679|5.124359|2.809104|3.450188|5.212139|0.105892|0.091325|4.961001|0.125658|7.698515|12.518741|0.249242|10.399706|5.008595|0.128468|4.428270|3.852593|4.224368|2.725543|2.289851|2.068709|2.138626|2.518308|2.951505|3.724273|4.528235|6.524707|0.218276|5.200661|8.754150|7.394640|3.390743|36.858105| |2.181457|4.537797|2.542779|3.083183|4.398318|0.087705|0.078432|3.991026|0.108017|5.519386|7.568554|0.207098|7.166943|3.936105|0.107863|3.512601|3.165152|3.595700|2.362049|2.027451|1.855193|1.918224|2.225310|2.541289|3.094585|3.688969|5.063581|0.168353|4.701280|8.280407|7.045526|3.414408|13.769222|36.858105| |2.011989|4.084092|2.259265|2.637465|3.689178|0.075035|0.066724|3.162361|0.085088|4.136812|5.008382|0.134161|5.409979|3.115675|0.084618|2.853297|2.643828|3.074394|2.070714|1.808313|1.683408|1.752666|2.017912|2.240847|2.654696|3.166425|4.001429|0.134883|3.730603|6.405747|6.019722|2.996759|7.897275|13.700953|36.858105| |2.022103|4.053660|2.185861|2.490850|3.527591|0.073659|0.064021|2.948809|0.077114|3.834789|4.424761|0.111461|5.093678|2.927976|0.077179|2.727365|2.551171|2.977073|2.031562|1.780398|1.671482|1.752135|2.022185|2.219149|2.610474|3.147202|3.775276|0.129070|3.333217|5.539681|5.495063|2.692481|6.841672|7.951285|13.813617|36.858105| |2.206585|4.453283|2.346375|2.670260|3.905736|0.083459|0.070443|3.280127|0.082754|4.382182|5.001996|0.116768|5.949424|3.298668|0.083756|3.095319|2.874267|3.306808|2.250579|1.951248|1.823745|1.916975|2.237071|2.479389|2.960002|3.629347|4.285650|0.148380|3.500383|5.675017|5.661550|2.682074|7.907950|6.891963|7.942248|13.690701|36.858105| |2.434146|5.055655|2.666205|3.131695|4.769405|0.101849|0.084507|4.222864|0.103112|6.118784|7.495179|0.155409|8.531808|4.308355|0.105756|3.982879|3.572800|3.973372|2.633825|2.230890|2.044626|2.136012|2.524782|2.898750|3.599118|4.467991|5.649333|0.195821|4.250424|6.840289|6.474110|2.964484|13.646847|7.961082|6.878457|7.941400|13.826371|36.858105| |1.823129|3.570130|1.921408|2.131335|2.972315|0.062284|0.054776|2.406480|0.063534|2.972916|3.279174|0.084941|3.954889|2.384803|0.063364|2.253274|2.142190|2.556502|1.773187|1.580348|1.503144|1.578811|1.798587|1.930230|2.209858|2.608837|2.971000|0.097898|2.702622|4.519872|4.614885|2.329947|4.441858|5.029482|7.574270|12.660219|7.643526|5.059876|36.858105| |1.901825|3.685898|1.961683|2.140512|2.944900|0.062398|0.054146|2.321373|0.060898|2.848670|2.985545|0.076904|3.595217|2.215896|0.058642|2.152553|1.992607|2.407780|1.666422|1.496155|1.421301|1.482454|1.670144|1.791144|2.029032|2.338213|2.616382|0.083575|2.368654|4.014498|4.006703|2.037297|3.880269|4.193067|5.651756|8.154021|6.413427|4.486779|14.389250|97.533100| |1.697806|3.293039|1.762740|1.935428|2.738243|0.057641|0.051067|2.212913|0.058198|2.670776|2.968802|0.076447|3.753344|2.274499|0.059989|2.129493|2.095808|2.506044|1.765953|1.579172|1.519183|1.612186|1.844177|1.947856|2.211491|2.640383|2.902734|0.096130|2.618826|4.287828|4.589095|2.305184|3.869785|4.126572|5.503196|8.153129|6.638381|4.552137|14.401612|20.169480|97.533100| |1.682296|3.281473|1.794437|1.990088|2.736441|0.056563|0.050779|2.211981|0.059565|2.672332|2.956733|0.079406|3.557224|2.191661|0.059370|2.061711|1.973724|2.376258|1.651008|1.481261|1.412202|1.479481|1.672491|1.786380|2.027011|2.361897|2.698465|0.087342|2.558276|4.350456|4.425362|2.298326|3.842956|4.631460|6.994114|8.121532|5.267476|4.016480|14.434245|20.108044|20.091822|97.533100| |17.571767|16.449063|7.169263|4.771705|5.538716|0.124857|0.107374|3.135545|0.080641|3.026904|2.432947|0.063925|3.056156|2.281095|0.060459|2.735122|2.036034|2.709601|1.772872|1.650544|1.487022|1.439049|1.517122|1.696122|1.829819|1.800928|1.922205|0.052476|1.765117|3.221512|2.810551|1.459499|2.294280|2.109271|1.966499|1.970062|2.117185|2.297274|1.794152|4.244755|3.737453|3.752188|0.500000| |17.557104|16.422937|7.176083|4.713957|6.007226|0.136749|0.125524|3.281669|0.083604|2.989317|2.415824|0.063320|3.137002|2.418785|0.063643|2.985424|2.196309|2.989813|1.945715|1.825622|1.627666|1.554749|1.622590|1.824468|1.945313|1.869150|1.961599|0.052653|1.796044|3.273106|2.854822|1.478622|2.213573|2.002929|1.843949|1.845047|2.004987|2.212506|1.669991|3.887623|3.526555|3.488404|0.298810|0.500000| |17.660174|16.839172|5.846904|4.396862|5.823933|0.142976|0.113329|3.306344|0.081540|3.211847|2.571663|0.065761|3.314690|2.465333|0.063600|3.004511|2.229105|2.963057|1.944842|1.804077|1.623806|1.573914|1.664370|1.864553|2.010232|1.971893|2.069011|0.056385|1.855064|3.331099|2.952784|1.512505|2.423524|2.166041|2.017639|2.061991|2.280012|2.498934|1.868037|4.414775|3.939630|3.841553|0.299695|0.299426|0.500000| |7.111486|16.519366|17.488832|8.804705|9.318324|0.177948|0.206035|4.502575|0.120300|3.723569|2.902118|0.078330|3.672293|2.938170|0.079716|3.768611|2.552893|3.476545|2.177971|2.013376|1.754929|1.663021|1.746257|2.009337|2.175860|2.067408|2.236766|0.058999|2.090264|3.924361|3.250604|1.692572|2.528294|2.296103|2.044814|1.978416|2.119710|2.401164|1.751635|3.998025|3.653335|3.699370|0.171273|0.210987|0.145865|0.500000| |7.206965|16.445548|17.544466|8.924750|7.657191|0.151044|0.144363|4.074278|0.110158|3.726995|2.888708|0.078361|3.500079|2.669628|0.072891|3.257493|2.288943|3.032642|1.930229|1.775761|1.574277|1.515301|1.606298|1.828127|2.000242|1.957679|2.155359|0.058109|2.021468|3.797103|3.157173|1.650435|2.613793|2.428645|2.190181|2.111267|2.227544|2.478183|1.878279|4.348619|3.854809|3.982100|0.213913|0.175629|0.146450|0.301038|0.500000| |4.230327|10.313202|8.763363|17.628904|12.340356|0.181693|0.223108|6.725290|0.209938|5.231368|3.907713|0.111077|4.595923|3.682815|0.105040|4.644192|2.958298|3.877919|2.360295|2.120275|1.833355|1.754480|1.880772|2.205014|2.467438|2.380299|2.718848|0.071237|2.602322|5.084682|3.923535|2.046935|3.227240|2.965823|2.525045|2.341279|2.461071|2.860194|2.013851|4.506786|4.120145|4.292884|0.110975|0.111331|0.100030|0.213836|0.207476|0.500000| |4.843637|12.883229|8.879013|17.674172|12.420369|0.221081|0.181321|6.905223|0.180528|6.758162|4.493655|0.120498|4.966032|3.666957|0.099677|4.552411|2.907329|3.673778|2.274396|2.021431|1.773649|1.727317|1.880580|2.191432|2.495508|2.495211|2.889891|0.077992|2.664322|5.064281|4.015608|2.056673|3.885763|3.500458|2.985905|2.801925|2.985003|3.494851|2.372008|5.395377|4.764526|4.965856|0.128289|0.115986|0.117669|0.173429|0.217734|0.299878|0.500000| |3.357959|7.827336|4.492463|6.488348|9.259042|0.175276|0.141180|8.774902|0.213046|17.580689|8.902175|0.218867|7.656271|4.941512|0.131462|5.527789|3.591546|4.215675|2.591153|2.222989|1.953879|1.943281|2.189031|2.596280|3.115945|3.284501|4.143844|0.114133|3.673808|6.943824|5.285278|2.609995|7.166053|5.836927|4.406573|3.961236|4.305381|5.592650|3.082928|6.738973|6.061571|6.315262|0.087925|0.083092|0.089360|0.105088|0.113043|0.157913|0.233857|0.500000| |3.553761|8.229670|4.232990|5.446600|9.618407|0.218823|0.149358|8.905449|0.173815|17.543934|8.826142|0.174416|9.430990|5.764138|0.134496|6.915882|4.241722|4.846888|2.969115|2.499993|2.185787|2.185428|2.498283|3.009828|3.685301|3.891463|4.694090|0.127864|3.737454|6.596465|5.410122|2.575235|7.118546|4.959616|3.977830|3.931877|4.783162|6.834773|3.067544|6.737104|6.264695|6.041571|0.088993|0.087848|0.099158|0.101782|0.101747|0.125961|0.169657|0.301842|0.500000| |3.269778|7.222040|3.823194|4.581899|9.638783|0.206688|0.190093|8.865774|0.173665|6.926036|5.782651|0.133482|9.561226|8.873653|0.174635|17.533328|7.017622|8.263942|4.501385|3.602681|2.938556|2.832819|3.216785|4.192613|5.099727|4.511117|4.763634|0.114186|3.810503|6.670735|5.524996|2.619403|4.285511|3.336046|2.784595|2.747249|3.210848|4.140255|2.282844|4.952458|4.900923|4.631385|0.078879|0.087175|0.090705|0.102258|0.088456|0.113892|0.118880|0.140678|0.205903|0.500000| |3.009154|6.573297|3.811505|4.670517|9.477298|0.167587|0.222603|8.783546|0.213780|5.525388|4.885369|0.128237|7.654455|8.933705|0.217235|17.575088|7.169587|10.029357|4.831729|3.933008|3.056602|2.828877|3.095477|4.067918|4.682042|3.886554|4.166163|0.097590|3.742525|7.002236|5.406787|2.662357|3.568268|2.976679|2.477322|2.366217|2.632313|3.248571|1.999595|4.318660|4.277867|4.166403|0.073771|0.083059|0.080158|0.107553|0.088453|0.126912|0.113803|0.123023|0.140811|0.300877|0.500000| |1.836041|3.573011|2.008461|2.165803|3.489151|0.069405|0.077004|2.782457|0.075195|2.440480|2.502713|0.067708|4.071691|3.667747|0.097675|3.521603|4.849208|9.440024|9.083479|17.725637|8.647809|5.613094|4.759771|5.566498|4.399420|3.272103|2.891163|0.069574|2.784266|4.845478|4.627323|2.384927|2.150868|1.917530|1.711061|1.678175|1.828559|2.083589|1.494696|3.204646|3.340081|3.164004|0.046553|0.052110|0.050636|0.057881|0.050295|0.060064|0.056187|0.060112|0.066755|0.096626|0.110812|0.500000| |1.527841|2.916765|1.619693|1.723569|2.692937|0.054512|0.057729|2.133103|0.057515|1.973160|2.064728|0.055699|3.312322|2.741160|0.072917|2.561429|3.476319|5.601982|5.649102|8.717237|17.730961|9.120107|5.484125|4.879963|3.657850|2.927214|2.488359|0.061829|2.408688|4.068553|4.231665|2.210465|1.857277|1.682778|1.538490|1.528216|1.656259|1.837556|1.386254|2.964174|3.151542|2.943135|0.039221|0.043049|0.042657|0.046073|0.041290|0.047492|0.045698|0.049450|0.054729|0.071978|0.075544|0.211737|0.500000| |1.440717|2.754481|1.514529|1.623359|2.521369|0.051526|0.052697|2.032172|0.054359|1.955863|2.108524|0.056353|3.423977|2.678293|0.070300|2.406243|3.383292|4.903082|4.882123|5.572106|9.131639|17.714017|8.631412|5.483101|4.010001|3.383967|2.715046|0.068527|2.597777|4.211650|4.767116|2.449320|1.950528|1.769683|1.637020|1.643894|1.787405|1.961081|1.498143|3.169586|3.463943|3.169601|0.037207|0.040001|0.040583|0.042335|0.038864|0.044373|0.043864|0.049033|0.054698|0.068382|0.067808|0.123588|0.219649|0.500000| |1.645298|3.191476|1.728467|1.880489|2.982403|0.061777|0.061111|2.468530|0.064307|2.445847|2.708359|0.070042|4.640943|3.467410|0.086343|2.995134|4.557114|5.944239|5.797841|5.173442|5.962893|8.969497|17.491627|8.920243|6.413585|5.483992|3.820692|0.095557|3.363261|5.158759|6.117286|2.905472|2.519875|2.213169|2.031957|2.071293|2.319583|2.595091|1.852431|3.879261|4.319666|3.841766|0.042230|0.045018|0.046765|0.047551|0.044013|0.050599|0.051407|0.059938|0.069595|0.087582|0.080649|0.111828|0.129408|0.209147|0.500000| |1.541803|3.006298|1.658743|1.825663|2.859894|0.058012|0.058619|2.408179|0.064445|2.373112|2.698945|0.072039|4.591253|3.478692|0.090845|2.878482|4.556870|5.928535|5.773148|5.149411|5.941769|8.958940|17.493748|8.919317|6.430127|5.488590|3.970069|0.097331|3.812033|5.808569|7.313877|3.546828|2.489336|2.237715|2.039010|2.030322|2.215219|2.472073|1.812673|3.752602|4.199767|3.822032|0.039888|0.042218|0.043308|0.045697|0.042504|0.049914|0.049954|0.058700|0.065582|0.080413|0.078293|0.111371|0.129092|0.209599|0.305418|0.500000| |2.011049|4.047727|2.165676|2.458265|3.991136|0.083587|0.077427|3.556562|0.088731|3.898783|4.801578|0.113166|9.473833|5.463994|0.123530|4.274969|6.119698|6.187696|4.529256|3.529244|3.279950|3.675160|5.070098|6.143001|8.935297|17.538521|8.949263|0.226618|5.522460|7.606696|9.033347|3.695469|4.575082|3.631730|3.200300|3.313939|3.996232|4.926426|2.752388|5.590474|6.356210|5.480855|0.051532|0.053360|0.057337|0.057552|0.054757|0.064704|0.069440|0.090998|0.113424|0.127330|0.102029|0.084534|0.077069|0.089788|0.151561|0.133619|0.500000| |1.753702|3.502619|1.921630|2.184215|3.447951|0.070102|0.067829|3.074383|0.080826|3.268702|4.136906|0.106473|7.634124|4.808536|0.120464|3.598307|5.590455|5.872892|4.525422|3.576151|3.427262|3.980028|5.767734|6.538981|8.854413|17.613111|8.816854|0.212211|7.031373|8.812039|13.757774|5.086191|3.927600|3.390140|3.001898|2.982771|3.336416|3.883532|2.531649|5.053931|5.865973|5.225778|0.045474|0.046945|0.049348|0.051550|0.049193|0.059001|0.061453|0.079101|0.089926|0.099902|0.090000|0.084418|0.080050|0.097837|0.157996|0.174889|0.302883|0.500000| |1.525326|3.045892|1.757424|2.026769|3.029683|0.058473|0.060389|2.693965|0.078331|2.723121|3.382675|0.103258|5.124873|3.723502|0.115937|2.891988|3.773402|4.525649|3.242575|2.809296|2.635225|2.779245|3.243793|3.596474|4.027902|4.231484|4.678989|0.116572|7.194146|12.732927|16.417797|17.647513|3.090440|3.064674|2.670754|2.411267|2.424289|2.703239|2.098329|4.198061|4.647393|4.650183|0.040355|0.041231|0.041707|0.047666|0.045966|0.057687|0.056712|0.070305|0.069160|0.073125|0.076978|0.071486|0.065345|0.070675|0.080732|0.101007|0.095574|0.128250|0.500000| |1.531822|3.065200|1.765568|2.047962|3.002614|0.058191|0.058616|2.671984|0.077568|2.834483|3.625801|0.112926|5.120461|3.441489|0.105156|2.738811|3.259947|3.833670|2.689671|2.339088|2.202216|2.327103|2.715659|2.986738|3.446592|3.915486|4.713441|0.128637|7.195034|12.744880|16.415986|17.645862|3.521125|3.720199|3.259904|2.837426|2.746691|3.001760|2.450139|4.784804|5.371110|5.534598|0.040850|0.040976|0.041931|0.047211|0.046623|0.058030|0.058559|0.074963|0.071608|0.069807|0.070986|0.060183|0.055189|0.059984|0.070475|0.082621|0.092181|0.117204|0.299864|0.500000| |1.425415|2.819053|1.603507|1.824040|2.705315|0.053204|0.053438|2.359242|0.066882|2.470571|3.065613|0.090071|4.591215|3.132222|0.091834|2.507033|3.194350|3.809482|2.814373|2.473466|2.406796|2.624676|3.111498|3.256137|3.615623|4.125848|4.374950|0.118540|5.950125|9.180036|16.898085|17.679342|3.000689|3.029502|2.758259|2.533546|2.518281|2.716055|2.242931|4.409227|5.083322|4.997789|0.037858|0.038334|0.039336|0.043198|0.042194|0.051160|0.051666|0.064353|0.064350|0.065494|0.065713|0.062400|0.060026|0.068494|0.080292|0.099481|0.096334|0.134968|0.298448|0.298584|0.500000| |2.111814|4.399110|2.529465|3.107640|4.354326|0.084452|0.078338|3.989221|0.113585|5.196538|7.027835|0.230701|6.700155|3.906546|0.112528|3.455630|3.113437|3.576824|2.332663|2.010457|1.831220|1.879425|2.160793|2.474646|2.986353|3.451969|4.746543|0.147400|4.855174|9.214194|7.181315|3.622738|8.921964|17.712564|8.933051|5.661895|4.961601|5.648940|4.100629|7.913491|7.768616|9.045558|0.056976|0.054291|0.057492|0.063881|0.067520|0.085452|0.097230|0.156549|0.122784|0.088344|0.082835|0.053146|0.046275|0.048124|0.058864|0.060698|0.091403|0.089101|0.091147|0.113485|0.087390|0.500000| |1.860788|3.736297|2.091097|2.416249|3.314754|0.066849|0.060634|2.792076|0.076751|3.491436|4.093254|0.115005|4.557490|2.739548|0.075899|2.521978|2.361673|2.792366|1.893854|1.672505|1.565691|1.626979|1.853675|2.035735|2.369519|2.771862|3.415654|0.111306|3.344630|5.866646|5.541679|2.869139|5.636083|8.910405|17.757528|8.934110|5.646294|4.957998|6.984347|11.908937|11.458050|17.907236|0.050983|0.047615|0.051559|0.052877|0.056992|0.065193|0.075528|0.104693|0.092218|0.067854|0.062027|0.044159|0.039993|0.042460|0.051616|0.052367|0.076827|0.074390|0.071126|0.088441|0.074002|0.216051|0.500000| |2.155549|4.270670|2.215318|2.458484|3.600089|0.078140|0.065712|2.934654|0.073661|3.753041|4.079533|0.096441|5.145245|2.963633|0.074698|2.830364|2.667304|3.115722|2.153150|1.885276|1.779788|1.878680|2.181708|2.377747|2.783030|3.369830|3.734723|0.125061|3.057561|4.938106|5.062221|2.419489|5.632367|4.962718|5.651263|8.899020|17.728152|8.945619|7.111867|14.810326|15.908563|10.813905|0.057402|0.054450|0.062749|0.055894|0.058475|0.062638|0.075403|0.101438|0.117023|0.083312|0.067783|0.049042|0.045058|0.048984|0.063754|0.059710|0.105978|0.086943|0.061199|0.067946|0.064117|0.107686|0.124187|0.500000| 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