Version2.4 2021-06-07T18:45:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[C@H]1CC=C(C(=O)N1Cc2ccc(cc2)c3ccccc3c4[n-]nnn4)CN(C)S(=O)(=O)C C52618053 RHF 6-31G(d) (6D,7F) CCCC[C@H]1CC=C(C(=O)N1Cc2ccc(cc2)c3ccccc3c4[n-]nnn4)CN(C)S(=O)(=O)C C01[X(C26H31N6O3S1)] 195 C1 606 CCCC[C@H]1CC=C(C(=O)N1Cc1ccc(cc1)c1ccccc1c1[n-]nnn1)CN(S(=O)(=O)C)C CCCC[C@H]1CC=C(C(=O)N1Cc1ccc(cc1)c1ccccc1c1[n-]nnn1)CN(S(=O)(=O)C)C CCCC[C@H]1CC=C(CN(C)[S](C)(=O)=O)C(=O)N1Cc2ccc(cc2)c3ccccc3c4[n-]nnn4 InChIKey=HCTKMHKQZBKTFL-QFIPXVFZSA-N InChI=1S/C26H31N6O3S/c1-4-5-8-22-16-15-21(18-31(2)36(3,34)35)26(33)32(22)17-19-11-13-20(14-12-19)23-9-6-7-10-24(23)25-27-29-30-28-25/h6-7,9-15,22H,4-5,8,16-18H2,1-3H3/q-1/t22-/m0/s1 InChI=1/C26H31N6O3S/c1-4-5-8-22-16-15-21(18-31(2)36(3,34)35)26(33)32(22)17-19-11-13-20(14-12-19)23-9-6-7-10-24(23)25-27-29-30-28-25/h6-7,9-15,22H,4-5,8,16-18H2,1-3H3/q-1/t22-/m0/s1 CCCC[C@H]1CC=C(C(=O)N1Cc2ccc(cc2)c3ccccc3c4[n-]nnn4)CN(C)S(=O)(=O)C C01[X(C26H31N6O3S1)] 195 C01 606 CCCC[C@H]1CC=C(C(=O)N1Cc1ccc(cc1)c1ccccc1c1[n-]nnn1)CN(S(=O)(=O)C)C CCCC[C@H]1CC=C(C(=O)N1C[C]1[CH][CH][C]([CH][CH]1)[C]1[CH][CH][CH][CH][C]1[C]1[N][N][N][N]1)CN([S@]([O])(=O)C)C CCCC[C@H]1CC=C(CN(C)[S](C)([O])=O)C(=O)N1C[C]2[CH][CH][C]([CH][CH]2)[C]3[CH][CH][CH][CH][C]3[C]4[N][N][N][N]4 InChIKey=YRSDYINMFZXPPM-QFIPXVFZSA-N InChI=1S/C26H31N6O3S/c1-4-5-8-22-16-15-21(18-31(2)36(3,34)35)26(33)32(22)17-19-11-13-20(14-12-19)23-9-6-7-10-24(23)25-27-29-30-28-25/h6-7,9-15,22H,4-5,8,16-18H2,1-3H3/t22-/m0/s1 InChI=1/C26H31N6O3S/c1-4-5-8-22-16-15-21(18-31(2)36(3,34)35)26(33)32(22)17-19-11-13-20(14-12-19)23-9-6-7-10-24(23)25-27-29-30-28-25/h6-7,9-15,22H,4-5,8,16-18H2,1-3H3/t22-/m0/s1 3938.9600260490 -1951.3369697 1-A 28163.6066 135 471 606 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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| 9.7365 16.0421 17.8816 24.3736 28.4151 34.2752 45.1448 51.6836 58.0280 67.5451 76.8360 79.4965 88.8961 97.2644 110.4033 118.3609 127.7953 134.8170 150.7946 167.3992 176.1447 200.1313 218.9746 235.3188 242.2378 246.7329 258.6695 267.2409 280.5557 303.3353 316.3005 325.8101 335.8757 341.9324 356.4568 367.8855 389.0207 414.6330 423.5340 445.5165 462.6175 463.8373 474.1220 502.4217 509.1621 523.5903 541.2045 565.6037 574.5187 581.4163 609.2818 613.9266 621.4820 635.5920 679.7484 700.4047 725.3483 742.4120 758.8156 774.1489 793.2363 796.0406 829.0380 832.8688 837.4659 850.3794 865.1020 874.7010 881.1253 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3201.4011 3215.9381 3222.6544 3232.8154 3246.5285 3257.9410 3261.4608 3266.1857 3274.6233 3281.9374 3315.0004 3315.7502 3331.5106 3334.2231 3340.1280 3340.3332 3347.5381 3351.4232 3355.4367 3357.8932 3364.6021 3367.0446 3369.7537 3378.5520 3405.1081 3445.1538 7.2989 5.4431 6.3341 4.1913 5.9114 7.3825 5.6941 5.9098 2.8000 4.2522 5.7075 2.2322 4.2770 3.8686 3.0405 3.8456 3.9770 1.3090 4.2001 3.8186 2.9711 4.9103 3.4561 1.9769 3.4345 1.8076 1.6688 2.0098 3.4999 3.3656 5.2539 4.2766 3.8781 5.9173 4.4884 3.5909 3.9986 2.5520 4.3577 4.3293 2.9533 2.9383 2.3749 5.3112 4.4635 4.0891 4.0462 6.3539 3.7658 5.2078 4.1420 4.5800 3.7976 4.6194 4.5683 6.1709 5.5900 4.3069 3.7610 3.1136 3.7180 1.1525 4.1170 3.9236 12.6446 1.5594 1.3057 5.4117 4.0801 4.8497 5.1715 1.8016 1.2545 1.7647 1.9427 2.2365 1.5018 1.8223 1.3995 2.7129 1.3642 2.2234 1.7731 2.4248 1.4994 1.5154 1.4506 2.0942 1.3239 2.0929 4.7259 2.4569 2.7082 2.2853 2.7420 2.3250 2.0519 10.7630 2.1696 3.0091 2.5044 2.3680 1.7936 4.3365 4.0029 1.7504 2.3871 4.0125 1.9685 3.2857 2.0787 11.8416 1.7132 1.3327 2.4167 1.5105 1.9451 1.5481 2.0361 1.4930 1.9702 1.3942 11.2893 1.2307 1.5059 10.8783 1.0920 1.4075 1.3245 1.2988 1.4078 1.4066 1.2486 1.3990 1.3386 1.6357 1.3351 1.9403 4.9838 1.6572 2.8877 1.0807 2.2487 1.1337 1.1492 1.0980 3.3420 1.0620 1.0957 1.0911 1.0422 1.0823 1.0564 1.0936 1.0988 1.0486 3.4359 2.6474 5.6640 6.2900 5.3954 5.4315 8.8625 8.8602 1.0753 1.0642 1.0751 1.0639 1.0442 1.0775 1.0935 1.0467 1.1019 1.0321 1.1025 1.1029 1.0914 1.0712 1.0605 1.0911 1.0910 1.1083 1.0859 1.1065 1.0904 1.0965 1.0917 1.1076 1.0885 1.1059 1.0969 1.0932 1.0950 1.0938 1.0941 0.0004 0.0008 0.0012 0.0015 0.0028 0.0051 0.0068 0.0093 0.0056 0.0114 0.0199 0.0083 0.0199 0.0216 0.0218 0.0317 0.0383 0.0140 0.0563 0.0630 0.0543 0.1159 0.0976 0.0645 0.1187 0.0648 0.0658 0.0846 0.1623 0.1825 0.3097 0.2675 0.2578 0.4076 0.3360 0.2863 0.3565 0.2585 0.4606 0.5063 0.3724 0.3725 0.3145 0.7899 0.6818 0.6605 0.6983 1.1976 0.7323 1.0372 0.9059 1.0171 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7.4721 7.6510 4.9683 1.7836 2.1867 0.1716 0.4179 3.2931 4.9433 4.5981 0.3713 1.4958 7.0650 0.7693 0.8244 1.9993 0.4965 5.4864 10.3200 0.8542 1.3919 4.1159 0.4962 0.5688 0.4180 1.9736 0.4867 2.0231 0.2970 0.0463 1.5356 0.1359 0.2372 3.6174 6.9964 5.9250 2.0251 1.7437 0.7821 14.5033 9.8425 1.1714 4.1490 1.5750 18.2351 1.5214 20.2239 6.3901 34.5885 44.8165 4.0857 24.9819 9.5393 10.0708 1.8154 8.5415 19.0957 1.7260 10.2747 18.0135 21.4567 5.4944 2.4750 4.7444 8.6173 10.7423 0.8453 50.7359 2.9772 72.6809 9.0511 23.7806 2.5388 15.9329 3.5275 11.2454 1.4833 12.0771 3.9599 16.3578 48.3225 90.6223 4.7077 43.8414 5.6894 38.5254 13.0032 4.0184 19.7575 4.6736 0.5817 55.3987 28.6272 6.0503 0.7139 1.8895 14.6697 0.4730 15.3291 1.1980 1.1679 2.5291 0.3402 21.8370 76.4125 197.1018 1.8099 3.7355 16.2436 1.0935 32.3551 7.4567 11.5343 11.1908 1.6290 1.0972 4.8444 16.3713 56.4997 12.3852 2.0010 80.1524 1.2004 68.4397 3.8062 3.0460 35.2871 331.9638 1.8421 48.7648 2.1051 36.6771 13.6275 51.2411 12.4812 21.5499 35.8482 15.9531 11.1509 31.1351 23.8839 8.2477 18.6887 4.5904 186.0788 36.5529 4.3482 0.6128 34.6616 0.4256 1.7607 7.7010 5.0361 2.1639 10.1451 9.3393 9.1004 4.8832 15.0847 14.8766 0.9699 1.7820 9.8441 3.3282 167.5672 286.9578 12.9390 7.5977 10.6523 39.9550 29.2921 51.6152 18.8435 68.3638 25.1607 2.8609 96.6989 69.3602 33.2569 38.2938 19.6250 28.8369 18.8077 5.3105 2.4882 3.8219 33.3524 8.7833 66.1135 3.4923 5.9886 3.6395 57.8542 9.3924 21.5301 12.5568 1.9084 3.4726 1.2909 1.3317 0.0834 0.1406 1.7053 1.2025 0.9146 0.3704 4.2630 3.0668 1.3127 4.9281 1.4278 1.0681 1.5737 1.3313 0.3061 1.0265 0.8235 0.5676 1.3362 1.1685 0.9509 1.4062 0.4884 1.4194 1.8226 2.1813 1.6082 2.0187 1.0785 0.6072 5.7088 2.4181 1.5236 3.0231 0.8164 3.9078 2.4349 2.6082 0.3897 2.7874 0.8153 0.8115 1.0108 1.9484 4.4081 2.5963 1.0483 1.6221 2.5891 0.9344 7.9218 2.5720 6.8151 6.7991 6.0240 1.7840 11.2471 3.4998 0.8163 2.5905 1.4533 1.8988 1.8041 0.8061 8.6416 3.7930 14.8842 15.4533 3.3591 3.1618 0.7539 12.7924 4.7535 3.4258 1.1446 3.0162 1.1972 0.6962 4.6674 2.2330 4.7229 1.2294 7.6089 6.9000 4.8044 0.7180 4.4765 30.8970 11.3284 1.8769 10.6896 2.7075 14.0188 4.7874 2.1894 1.7860 42.6533 2.7824 9.8696 8.5459 3.0926 15.5461 3.0902 6.1824 19.4134 9.4991 4.7770 14.1123 13.2512 1.3834 6.9554 11.4931 2.9510 0.8542 3.8276 33.7336 2.2110 50.0733 7.9789 41.1631 1.9389 1.9161 4.1086 24.9689 8.0390 9.8444 10.1340 2.1485 9.1640 0.7939 2.3958 3.9319 6.9627 1.5258 1.3243 8.0071 1.3425 23.0295 15.3509 4.8004 13.2394 5.5028 17.7544 17.8458 25.9979 9.2657 12.1596 19.5576 12.5754 22.6752 3.3451 5.5476 13.4398 64.3575 29.1178 26.9634 38.6894 91.9313 233.4441 4.0013 45.4584 83.4818 37.9416 52.2168 14.4012 178.6340 28.1971 120.0104 127.7537 16.9426 119.7997 49.9669 79.6456 85.0703 50.1957 65.0363 81.0676 72.1517 39.1703 65.7372 71.2595 72.9469 54.3046 123.2524 47.5652 48.0131 48.6121 182.2877 95.7718 104.8838 125.5885 65.5750 0.7499 0.7500 0.7499 0.7251 0.7477 0.5181 0.7152 0.6473 0.7054 0.6311 0.6957 0.7354 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12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 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 12.00000 14.00307 14.00307 14.00307 14.00307 12.00000 14.00307 12.00000 31.97207 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11388.3772 43583.2183 48385.5553 0.99997 0.00262 0.00772 -0.00252 0.99992 -0.01241 -0.00775 0.01239 0.99989 1 0.00761 0.00199 0.00179 0.15847 0.04141 0.03730 14.01 23.08 25.73 35.07 40.88 49.31 64.95 74.36 83.49 97.18 110.55 114.38 127.90 139.94 158.85 170.29 183.87 193.97 216.96 240.85 253.43 287.94 315.06 338.57 348.53 354.99 372.17 384.50 403.66 436.43 455.09 468.77 483.25 491.96 512.86 529.31 559.71 596.56 609.37 641.00 665.60 667.36 682.16 722.87 732.57 753.33 778.67 813.78 826.60 836.53 876.62 883.30 894.17 914.48 978.01 1007.73 1043.61 1068.17 1091.77 1113.83 1141.29 1145.32 1192.80 1198.31 1204.93 1223.51 1244.69 1258.50 1267.74 1277.21 1288.86 1352.40 1363.38 1379.57 1395.19 1406.03 1427.33 1442.15 1476.21 1524.80 1543.23 1546.71 1560.02 1574.65 1576.55 1579.33 1581.39 1583.55 1592.66 1597.73 1606.24 1609.43 1623.09 1643.91 1645.35 1677.10 1691.38 1697.01 1731.26 1743.65 1749.71 1769.09 1785.09 1789.81 1795.89 1799.40 1830.18 1848.87 1858.12 1874.24 1877.76 1892.50 1895.62 1896.50 1909.44 1931.08 1974.05 1982.35 1988.20 2010.81 2033.81 2042.02 2072.37 2079.31 2090.12 2091.04 2105.40 2112.97 2138.30 2146.89 2161.02 2194.05 2196.69 2209.32 2217.91 2228.00 2252.78 2254.59 2256.78 2261.14 2282.33 2302.03 2305.88 2307.10 2319.96 2339.10 2348.54 2353.44 2357.11 2357.99 2365.93 2369.43 2370.60 2383.00 2392.88 2395.69 2417.71 2443.29 2523.14 2543.00 2594.09 2620.09 2696.80 2764.62 4570.49 4580.96 4585.98 4592.64 4598.45 4606.10 4627.02 4636.68 4651.30 4671.03 4687.45 4692.51 4699.31 4711.45 4721.98 4769.55 4770.62 4793.30 4797.20 4805.70 4805.99 4816.36 4821.95 4827.73 4831.26 4840.91 4844.43 4848.32 4860.98 4899.19 4956.81 0.590064 0.622268 0.623212 0.520128 -1950.746905 -1950.714702 -1950.713758 -1950.816841 3.457421D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCCC[C@H]1CC=C(C(=O)N1Cc2ccc(cc2)c3ccccc3c4[n-]nnn4)CN(C)S(=O)(=O)C C52618053 RHF 6-31G(d) (6D,10F) C1 507.217836 |X|Y|Z| 146.109106 69.432252 44.659969 76.804321 24 6 7 19 5 |36.858105| |12.466351|36.858105| |7.473762|12.446593|36.858105| |4.870285|7.494380|12.427637|36.858105| |3.723776|4.859507|7.408662|12.413271|36.858105| |3.662906|4.593231|6.819558|8.917464|17.503740|0.500000| |3.515792|4.253792|6.320896|7.575655|12.459269|0.247740|36.858105| |2.772907|3.198867|4.262797|4.947712|7.569479|0.185226|12.731744|36.858105| |2.457965|2.855305|3.637084|4.432106|6.697060|0.168640|7.744136|14.419452|36.858105| |2.520374|3.030135|3.797990|5.070509|7.727252|0.184835|6.654497|7.784373|12.735364|36.858105| |2.209639|2.614272|3.122059|4.010190|5.322281|0.135771|4.686632|5.419855|8.169868|15.760136|73.516695| |2.990393|3.789130|4.921425|7.645937|12.913250|0.253212|7.724805|6.764702|7.763139|13.989746|14.985728|53.358707| |2.859158|3.661534|4.342360|6.561909|7.504431|0.179897|4.983432|4.447009|5.031191|7.912129|12.565013|17.631208|36.858105| |2.840212|3.567289|4.107312|5.590754|6.086725|0.175901|4.141707|3.750436|4.133737|5.691502|9.521862|10.284556|12.541079|36.858105| |2.530833|3.031052|3.517985|4.392148|5.190532|0.164472|3.816445|3.693081|4.192996|5.502047|9.613351|8.389161|7.501680|13.704148|36.858105| |2.395309|2.783875|3.112330|3.616836|4.005161|0.128911|3.129701|3.026294|3.309915|3.971139|7.003458|5.883255|5.000891|7.913865|13.774727|36.858105| |2.486329|2.882030|3.077623|3.479159|3.563158|0.111754|2.807870|2.630749|2.786142|3.279751|5.720601|5.030035|4.390083|6.753782|7.852120|13.654428|36.858105| |2.775103|3.329588|3.448607|3.995978|3.822306|0.115297|2.931574|2.652984|2.772034|3.326388|5.717626|5.378021|4.998831|7.864402|6.883589|7.995606|13.714720|36.858105| |2.997574|3.788757|4.039780|5.151169|4.829357|0.139254|3.481228|3.074507|3.238311|4.093482|6.911913|7.119942|7.547424|13.730203|8.004096|6.948400|7.905357|13.742089|36.858105| |2.247775|2.505773|2.613826|2.813923|2.855626|0.088987|2.364127|2.242608|2.344105|2.647729|4.644790|3.932854|3.264070|4.412516|5.038276|7.637635|12.705239|7.494309|5.005712|36.858105| |2.238695|2.436699|2.572507|2.684462|2.768365|0.088217|2.343425|2.239727|2.310522|2.528348|4.372349|3.699696|2.923802|3.783254|4.422916|6.335657|7.749299|5.333002|4.042886|13.625828|36.858105| |2.004410|2.129100|2.214456|2.267052|2.322606|0.072664|2.026399|1.954047|2.003916|2.150708|3.743551|3.097561|2.413444|2.972493|3.374334|4.415373|5.070179|3.951356|3.155811|7.829656|13.803268|36.858105| |1.830673|1.941813|1.985603|2.043788|2.067637|0.063274|1.814691|1.751850|1.804535|1.947817|3.433129|2.798200|2.212274|2.685195|2.970090|3.775929|4.439044|3.632317|2.900056|6.807725|7.995249|13.752368|36.858105| |1.835239|1.975228|2.003152|2.097124|2.101006|0.063502|1.822493|1.751468|1.818268|1.998061|3.554879|2.891088|2.345372|2.880188|3.132669|4.002226|4.984830|4.134783|3.196268|7.925270|6.964745|7.973432|13.809041|36.858105| |2.010824|2.214656|2.256605|2.414574|2.412406|0.073024|2.041704|1.946683|2.036001|2.287979|4.076347|3.360469|2.805106|3.595575|3.905677|5.233445|7.389732|5.805510|4.130154|13.564823|7.899633|6.776636|7.827406|13.618541|36.858105| |1.923286|2.137791|2.149437|2.335660|2.301740|0.067903|1.949357|1.855738|1.953082|2.224809|4.019945|3.275435|2.809752|3.527547|3.645562|4.515007|6.071411|5.618054|4.158491|7.409236|4.991393|4.442242|5.090571|7.794880|12.851701|36.858105| |1.700354|1.871276|1.882850|2.040369|2.027566|0.059205|1.750122|1.687337|1.784257|2.015831|3.691662|2.910738|2.466533|2.972282|3.091102|3.678531|4.447045|4.137577|3.348730|5.183602|3.962045|3.762039|4.466783|6.535244|7.761871|14.417423|53.358707| |1.672599|1.848983|1.840362|2.005886|1.967948|0.056550|1.702067|1.633590|1.726751|1.961959|3.606790|2.846418|2.441192|2.870918|2.875453|3.257514|3.864108|3.875253|3.273333|4.126525|3.244550|3.047721|3.469710|4.627278|5.428005|9.149591|19.719320|53.358707| |1.846222|2.066763|2.034685|2.234064|2.151012|0.061454|1.835066|1.736479|1.827443|2.099123|3.825947|3.107697|2.721681|3.232132|3.112706|3.469987|4.271710|4.631357|3.869535|4.320458|3.313412|3.010715|3.308784|4.310785|5.396205|9.147313|12.179714|20.198376|53.358707| |2.054434|2.317073|2.289948|2.514099|2.414175|0.070074|2.022995|1.897351|1.988869|2.293683|4.124827|3.447166|3.036074|3.791463|3.666584|4.272958|5.792978|6.399924|4.768286|5.934726|4.189118|3.648676|3.948420|5.309860|7.616017|14.437938|11.887594|12.183562|19.700389|53.358707| |2.068069|2.331500|2.835612|3.282566|4.398187|0.117901|4.917335|7.661535|12.609356|7.438275|12.193613|6.823631|3.842036|3.346231|3.546266|2.931191|2.465227|2.397753|2.704940|2.131852|2.118100|1.870594|1.696318|1.701424|1.879056|1.804366|2.279871|2.201207|2.295245|2.468601|36.858105| |1.884579|2.116745|2.501228|2.891493|3.632102|0.094185|4.024805|5.543435|7.603693|5.917054|10.922278|5.771738|3.452307|2.939103|3.019068|2.532838|2.182691|2.154446|2.433322|1.904267|1.868899|1.669290|1.537944|1.555561|1.711834|1.671264|2.136097|2.086082|2.171832|2.301561|12.972078|53.358707| |1.704178|1.910242|2.202958|2.548830|3.091343|0.081478|3.217913|4.042277|5.320092|4.976939|10.515486|5.037434|3.246782|2.819110|2.934377|2.489318|2.141913|2.098927|2.347861|1.878718|1.826395|1.639177|1.525401|1.553446|1.708555|1.684068|2.176976|2.132077|2.202187|2.309856|7.554567|17.726770|36.858105| |1.829563|2.024628|2.366270|2.655440|3.193680|0.081652|3.735229|4.926427|5.561411|4.375972|7.594486|4.771583|2.896346|2.475896|2.479678|2.132567|1.890101|1.889952|2.121083|1.672687|1.649029|1.489915|1.379847|1.392027|1.518255|1.486707|1.906179|1.872334|1.952348|2.057888|7.107948|15.956923|7.142231|388.023441| |1.609818|1.761394|2.011096|2.226615|2.592483|0.067432|2.916851|3.608049|4.018155|3.428999|6.230788|3.865829|2.460978|2.151670|2.169750|1.903283|1.700738|1.693337|1.874271|1.524848|1.502652|1.371789|1.280829|1.293035|1.400090|1.377664|1.784132|1.756817|1.819057|1.900220|5.065547|10.402972|6.666689|94.507998|73.516695| |1.930058|2.108244|2.498566|2.723369|3.296764|0.085254|4.098555|5.635544|5.617036|4.087478|6.668267|4.628613|2.750107|2.396023|2.408928|2.094300|1.863979|1.858920|2.070636|1.660034|1.657820|1.501364|1.380224|1.380111|1.497660|1.451588|1.851600|1.809127|1.887994|2.003841|6.763839|10.454206|5.020795|94.393763|13.648168|73.516695| |1.942308|2.179502|2.524016|2.884940|3.350971|0.082017|3.908485|4.682763|5.038592|4.405307|7.528864|5.076286|3.109086|2.552265|2.452487|2.090470|1.885696|1.931643|2.208527|1.654674|1.609794|1.449537|1.351162|1.375681|1.510096|1.496472|1.914212|1.901033|2.002319|2.101689|5.169108|9.607582|5.379283|76.427106|13.127933|13.080084|36.858105| |17.527161|8.768120|6.765340|4.500163|3.580798|0.096149|3.584093|2.826623|2.459599|2.465740|3.829743|3.912276|2.680089|2.600190|2.343510|2.199096|2.241368|2.460475|2.672144|2.033242|2.035456|1.837029|1.681155|1.679411|1.827603|1.752178|2.130891|2.098255|2.297117|2.529858|2.076840|2.588529|1.704631|13.338000|2.927959|3.556614|1.999224|0.500000| |17.536918|8.777009|6.776117|4.494560|3.629515|0.103580|3.411134|2.738959|2.430282|2.470797|3.856283|3.944259|2.760577|2.821981|2.573825|2.479820|2.581165|2.828296|2.975460|2.364797|2.401445|2.154526|1.944582|1.925056|2.095299|1.970205|2.360263|2.297142|2.520985|2.830505|2.058904|2.524008|1.678834|12.708188|2.800689|3.369842|1.863050|0.301536|0.500000| |17.547761|8.775603|5.454935|4.046703|3.160996|0.086215|2.969978|2.416039|2.183936|2.258430|3.583001|3.605085|2.599206|2.598819|2.315982|2.219453|2.339710|2.629994|2.799153|2.144308|2.120347|1.919614|1.775938|1.789690|1.950382|1.882993|2.274315|2.252425|2.493879|2.756740|1.867306|2.344459|1.575484|11.921479|2.650990|3.116666|1.785498|0.301577|0.301772|0.500000| |8.860797|17.506686|8.854712|6.918845|4.501880|0.112663|4.043913|3.074667|2.769590|2.963098|4.587681|5.023500|3.613335|3.375818|2.828448|2.568537|2.648086|3.080485|3.570104|2.301477|2.208684|1.944649|1.797796|1.845504|2.068373|2.033537|2.447463|2.447903|2.743481|3.027734|2.271813|2.862948|1.903856|14.463438|3.153767|3.730242|2.239623|0.210675|0.172965|0.212695|0.500000| |8.863824|17.530296|8.860361|6.886449|4.593713|0.124919|3.798623|2.961573|2.726466|2.969685|4.630306|5.086571|3.813199|3.901368|3.257339|3.044552|3.259415|3.904294|4.399891|2.813760|2.695268|2.329598|2.128063|2.184044|2.478585|2.395027|2.810662|2.777880|3.146872|3.582077|2.247372|2.775706|1.867578|13.670017|2.996380|3.516444|2.053344|0.172928|0.210759|0.212949|0.303932|0.500000| |6.856061|8.869111|17.496589|8.837980|6.958137|0.209906|5.893417|4.201823|3.594698|3.685011|5.411883|6.291510|4.079037|4.114717|3.686683|3.342468|3.295258|3.588468|4.037504|2.823257|2.848168|2.434377|2.142276|2.130804|2.390921|2.226583|2.636846|2.542529|2.792036|3.180220|2.838799|3.335571|2.163948|16.290770|3.476228|4.338267|2.371447|0.168119|0.203457|0.140349|0.173818|0.213013|0.500000| |6.933045|8.890409|17.526301|8.774090|6.586300|0.162561|6.924261|4.529935|3.678710|3.649112|5.313789|6.120336|3.805672|3.487975|3.080282|2.729349|2.657548|2.905226|3.347892|2.300769|2.286591|2.002048|1.803941|1.809705|2.011682|1.921859|2.323793|2.275611|2.490725|2.764212|2.879195|3.478462|2.213244|17.638840|3.720295|4.752479|2.663382|0.205649|0.170810|0.141178|0.211514|0.174152|0.303402|0.500000| |4.496518|6.716202|8.824387|17.505517|8.855023|0.174450|6.845298|4.661508|4.226846|4.854453|6.986987|9.555553|6.221043|4.850009|3.808130|3.152014|3.048552|3.514340|4.520289|2.505657|2.368736|2.033667|1.863130|1.925416|2.203471|2.173784|2.620273|2.611253|2.910880|3.212231|3.177500|3.954454|2.564556|19.381843|4.063832|4.901643|3.089413|0.119569|0.110434|0.107410|0.202601|0.165725|0.173454|0.213999|0.500000| |4.627030|7.144206|8.967322|17.640576|8.871557|0.216182|5.527301|4.100330|3.904735|4.680557|6.924736|9.520978|7.375667|6.954861|4.995760|4.129667|4.117971|5.039017|6.980487|3.217940|2.987661|2.477384|2.238255|2.327939|2.736667|2.661763|3.107738|3.060222|3.466780|3.970913|3.005255|3.631969|2.421037|17.171504|3.667883|4.329515|2.597180|0.113143|0.120769|0.111076|0.180319|0.216358|0.209632|0.174488|0.303156|0.500000| |3.888500|4.504874|6.954293|6.753856|8.885630|0.222850|17.585516|8.989155|5.814093|4.974158|6.724704|7.662288|4.093721|3.656728|3.446131|2.947393|2.689656|2.786232|3.203059|2.311854|2.334984|2.034977|1.810178|1.797985|1.993647|1.882744|2.297397|2.223310|2.390573|2.644997|4.172274|4.677962|2.803543|23.299196|4.676063|6.597642|3.340017|0.112390|0.107008|0.088903|0.114538|0.108806|0.192193|0.231067|0.162201|0.140356|0.500000| |3.527210|4.288902|6.029909|7.189115|8.817736|0.174618|17.479974|8.994021|6.329428|5.749899|7.632194|9.066191|4.641394|3.722050|3.333246|2.769343|2.540571|2.701917|3.224458|2.157748|2.116203|1.849753|1.678866|1.697631|1.896232|1.836499|2.259213|2.220571|2.401781|2.619099|4.362627|5.258187|3.107568|26.889561|5.253750|7.281947|4.268504|0.102190|0.091796|0.083588|0.119482|0.103735|0.143414|0.195853|0.213081|0.144170|0.303880|0.500000| |2.597934|2.890613|3.737539|4.038683|5.480240|0.142578|8.580641|17.700298|9.158202|5.549149|7.696058|6.661663|3.554194|3.114153|3.117713|2.653198|2.335942|2.335200|2.637610|2.038781|2.061425|1.826622|1.640730|1.627798|1.785789|1.697808|2.116665|2.046962|2.161290|2.348591|7.063518|7.226895|3.820403|36.684870|6.690965|11.948445|4.602038|0.074813|0.071751|0.063165|0.077230|0.073856|0.103731|0.113645|0.107129|0.094838|0.216524|0.196865|0.500000| |2.474195|3.061077|3.520733|4.883092|5.596600|0.138117|4.239950|4.070010|4.857358|7.835148|15.233115|12.639289|17.691427|8.896346|6.622931|4.576010|3.962821|4.346092|6.002144|3.030083|2.701581|2.265624|2.105710|2.246589|2.669602|2.724172|3.327838|3.323431|3.662068|3.981635|3.926413|4.998844|3.598943|21.416511|4.605444|4.916034|3.245746|0.065222|0.066413|0.063382|0.085223|0.087850|0.092517|0.088823|0.135591|0.145645|0.097543|0.112505|0.092278|0.500000| |3.083475|4.085348|4.648684|7.295576|6.773594|0.155259|4.697397|3.980025|4.244463|5.939015|9.480772|12.443918|17.624668|8.901610|5.579344|4.189534|3.965778|4.786835|7.342076|3.032244|2.705980|2.264905|2.100527|2.239069|2.664055|2.714459|3.245491|3.268951|3.706695|4.098569|3.309744|4.175756|2.879499|19.099764|4.094001|4.559536|2.979309|0.079742|0.080691|0.078487|0.116066|0.118921|0.115347|0.111715|0.211818|0.239773|0.109197|0.128936|0.090514|0.304861|0.500000| |2.361745|2.786904|3.294999|4.084330|5.190018|0.162640|3.998256|4.119837|4.972756|6.657515|12.129766|8.865566|6.933600|8.895035|17.712640|8.948119|5.616773|4.957871|5.667322|4.120804|3.819530|3.040416|2.683898|2.778707|3.326656|3.117718|3.731721|3.486275|3.693304|4.207602|4.274558|4.797753|3.437964|19.784627|4.293102|4.764266|2.682560|0.061836|0.066602|0.059810|0.072868|0.080917|0.095543|0.082601|0.100338|0.121284|0.098531|0.095673|0.095802|0.184817|0.139887|0.500000| |2.177242|2.468748|2.758923|3.113850|3.505233|0.112912|2.872187|2.864506|3.148435|3.627193|6.502337|5.093355|4.084310|5.644146|8.959771|17.711538|8.917781|5.672185|4.990801|7.128221|6.698908|4.783208|3.995471|4.081539|5.046997|4.192191|4.839949|4.186899|4.291953|5.134655|2.892383|3.384677|2.467127|14.830953|3.339004|3.651302|2.003637|0.056127|0.063047|0.056169|0.063404|0.073799|0.082887|0.068675|0.076354|0.095246|0.075991|0.070505|0.071063|0.107618|0.096287|0.217173|0.500000| |2.752928|3.245718|3.206010|3.571411|3.293881|0.097466|2.612185|2.354643|2.425924|2.842452|4.896563|4.538919|4.093123|5.629246|4.965233|5.674002|8.936542|17.805753|8.940011|6.897345|4.946750|3.866676|3.697686|4.332718|6.063636|6.212131|6.003847|5.742329|7.233438|10.743416|2.123134|2.631936|1.887490|12.258741|2.768141|3.021615|1.772402|0.067176|0.077817|0.074071|0.083926|0.107818|0.091907|0.075445|0.089167|0.123449|0.069867|0.068018|0.058384|0.101134|0.114253|0.107745|0.124517|0.500000| |3.187416|4.147058|4.199887|5.401057|4.606803|0.125451|3.391740|2.928137|3.028432|3.777238|6.340122|6.667063|7.010235|8.914563|5.667234|4.988457|5.644705|8.967241|17.681562|4.084910|3.398278|2.765335|2.591270|2.856061|3.576243|3.725821|4.184848|4.230497|5.106639|6.054903|2.525501|3.154377|2.228517|14.650303|3.242997|3.571301|2.192593|0.078296|0.085596|0.083817|0.111964|0.136813|0.111410|0.096081|0.138068|0.211695|0.086678|0.090174|0.070167|0.156566|0.226458|0.124200|0.108123|0.217392|0.500000| |2.408282|2.625723|2.842899|2.947191|3.101819|0.102019|2.612367|2.493871|2.554175|2.766149|4.697328|4.055435|3.120112|4.042857|4.855443|6.829695|7.323182|5.182282|4.152821|8.933842|17.703519|8.966114|5.675156|4.998349|5.634813|4.057928|4.516132|3.845868|3.979278|4.914587|2.318850|2.735176|1.938964|12.557870|2.835538|3.184165|1.712318|0.060903|0.072532|0.062381|0.065235|0.080008|0.089487|0.069973|0.070916|0.090249|0.072918|0.064431|0.063610|0.078815|0.079188|0.117545|0.202924|0.127816|0.096039|0.500000| |1.961043|2.051447|2.144310|2.160894|2.228299|0.069973|1.977783|1.917673|1.950281|2.054996|3.554767|2.934595|2.237389|2.691791|3.048882|3.826983|4.148371|3.362742|2.800237|5.598017|8.924085|17.693412|8.874932|5.650431|4.900103|3.550919|4.240447|3.543684|3.503635|4.128034|1.832664|2.218098|1.591979|10.398696|2.396379|2.639883|1.412894|0.050250|0.059051|0.052022|0.051874|0.061622|0.066006|0.054374|0.053838|0.064575|0.055747|0.050026|0.050286|0.058335|0.058359|0.078185|0.116534|0.090940|0.069027|0.216261|0.500000| |1.692671|1.773774|1.805358|1.842069|1.861661|0.056557|1.658432|1.608221|1.650564|1.762806|3.110963|2.513471|1.967261|2.332294|2.553321|3.129939|3.548960|3.020808|2.493814|4.916275|5.661650|8.889418|17.692997|8.936707|5.599657|4.163689|5.289001|4.231169|3.979583|4.559013|1.564759|1.942194|1.417359|9.167782|2.139464|2.296475|1.260095|0.043437|0.049937|0.045832|0.045813|0.053561|0.053920|0.045989|0.046994|0.055449|0.046128|0.042833|0.042172|0.052319|0.052166|0.065259|0.092215|0.085874|0.062961|0.124390|0.213041|0.500000| |1.698953|1.819718|1.829317|1.913462|1.906442|0.056879|1.669819|1.608579|1.670487|1.831650|3.279069|2.637693|2.141869|2.570935|2.745181|3.368743|4.063859|3.565013|2.848692|5.660269|5.002470|5.661603|8.936653|17.753242|8.987084|7.405973|9.976000|6.919258|6.078435|6.977021|1.573037|1.977965|1.459120|9.299932|2.173049|2.297425|1.296726|0.043366|0.049174|0.046372|0.047673|0.055656|0.053509|0.046219|0.049371|0.058696|0.045683|0.043576|0.041690|0.057577|0.057312|0.068542|0.094826|0.105571|0.072290|0.108343|0.124084|0.215423|0.500000| |1.970140|2.218376|2.661361|3.083834|4.070627|0.113469|4.209681|5.852053|8.939350|7.008561|12.975044|6.478728|3.851128|3.485565|3.870878|3.202418|2.625739|2.498811|2.783989|2.269978|2.255253|1.985665|1.797385|1.802735|1.994229|1.907503|2.416597|2.317294|2.399275|2.583398|17.643415|12.672828|7.680856|38.468564|7.741224|8.908253|4.176279|0.054360|0.054882|0.049712|0.059683|0.060338|0.075006|0.073518|0.081776|0.080722|0.101713|0.102984|0.147981|0.111422|0.090136|0.135348|0.089556|0.060964|0.070914|0.068550|0.053905|0.045931|0.046175|0.500000| |2.029248|2.244438|2.727415|3.036101|3.973897|0.109163|4.659028|7.322552|8.963596|5.527533|8.872859|5.696543|3.276578|2.946720|3.135030|2.679911|2.284064|2.209755|2.448018|2.011374|2.030355|1.811960|1.637262|1.625671|1.775573|1.691608|2.140858|2.059570|2.139657|2.302630|17.651915|12.386148|5.880348|48.326665|8.831431|13.822902|4.669392|0.057097|0.056523|0.050785|0.060362|0.059660|0.076801|0.078149|0.081049|0.076715|0.115942|0.114254|0.222030|0.090900|0.080323|0.102281|0.074350|0.054874|0.063729|0.062044|0.049835|0.042193|0.041766|0.302821|0.500000| |1.594503|1.766186|2.023671|2.295756|2.756167|0.074352|2.868206|3.575191|4.509030|4.131448|8.458769|4.346453|2.845588|2.561614|2.723493|2.368072|2.037271|1.969417|2.161852|1.813620|1.779543|1.611000|1.499575|1.517940|1.654694|1.621835|2.108778|2.053856|2.103162|2.203047|6.537570|12.273299|17.557633|42.609848|11.006809|8.167894|4.345574|0.044302|0.043936|0.041053|0.048598|0.048100|0.055847|0.056465|0.063458|0.060957|0.071188|0.076128|0.096689|0.086213|0.070407|0.088519|0.066384|0.049393|0.056691|0.052441|0.043696|0.038877|0.039654|0.199584|0.156417|0.500000| |1.628264|1.820566|2.070882|2.385586|2.808785|0.073088|2.931381|3.544643|4.405115|4.252311|8.819076|4.537991|2.996823|2.580682|2.625245|2.250833|1.973932|1.957559|2.190891|1.740950|1.683477|1.520028|1.426153|1.458636|1.600278|1.592310|2.069689|2.044196|2.113413|2.197469|5.573928|12.366745|17.652396|49.602140|13.217682|8.296208|5.814184|0.045380|0.044271|0.042067|0.050919|0.049358|0.055934|0.058036|0.067831|0.063022|0.071318|0.080862|0.093922|0.092869|0.075709|0.083144|0.061537|0.049383|0.058594|0.049256|0.040955|0.036938|0.038292|0.150027|0.129063|0.302026|0.500000| |1.759656|1.994419|2.300016|2.715347|3.317046|0.087661|3.301970|4.041667|5.524214|5.781708|13.904982|5.664030|3.738412|3.225471|3.388151|2.812937|2.383033|2.328751|2.627719|2.060948|1.981263|1.761268|1.639396|1.681297|1.867777|1.848423|2.384456|2.334735|2.414988|2.537017|7.110405|12.549655|17.676184|38.732144|8.728698|7.454092|4.670790|0.048445|0.048174|0.045215|0.055112|0.054692|0.062809|0.063196|0.075472|0.072692|0.079044|0.087568|0.101864|0.119279|0.089760|0.112736|0.077065|0.057573|0.068591|0.058291|0.047145|0.042056|0.043758|0.223684|0.146914|0.297988|0.301278|0.500000| |1.845902|2.082107|2.373983|2.749361|3.144588|0.077277|3.474309|4.020452|4.521586|4.294143|7.788820|4.943157|3.149470|2.567341|2.456823|2.090392|1.887775|1.938705|2.222194|1.653310|1.593906|1.435339|1.346340|1.379756|1.518667|1.518297|1.951686|1.948570|2.051048|2.137950|4.681670|8.953080|5.782662|57.407497|12.117181|9.689138|17.627208|0.052296|0.049123|0.047522|0.059719|0.055129|0.061910|0.068373|0.082208|0.070149|0.082562|0.104209|0.106340|0.094209|0.083958|0.074583|0.055558|0.049446|0.061440|0.046749|0.038671|0.034861|0.036248|0.110980|0.113637|0.125432|0.190499|0.141979|0.500000| |1.865617|2.063008|2.354831|2.620441|2.951085|0.072941|3.466128|3.992660|4.060187|3.575664|6.082551|4.308260|2.697458|2.260723|2.169780|1.881545|1.718322|1.763647|1.996075|1.523951|1.488280|1.350282|1.262591|1.282662|1.398995|1.387042|1.779560|1.770601|1.862634|1.948557|4.148452|7.157035|4.271522|57.912746|11.988407|11.849268|17.609742|0.053835|0.049571|0.047867|0.059198|0.053680|0.061359|0.069835|0.078260|0.065565|0.085061|0.106692|0.113211|0.077240|0.073083|0.065032|0.050236|0.045380|0.055435|0.043855|0.036683|0.032854|0.033697|0.095895|0.109826|0.101659|0.129342|0.103931|0.298670|0.500000| 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