Version2.4 2021-05-28T22:37:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)[N-]c2ncccn2)Sc3[nH]nc(n3)CC4CCCC4 C25000983 RHF 6-31G(d) (6D,7F) C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)[N-]c2ncccn2)Sc3[nH]nc(n3)CC4CCCC4 C01[X(C21H24N7O3S2)] 165 C1 551 O=C([C@@H](Sc1[nH]nc(n1)CC1CCCC1)C)Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1 O=C([C@@H](Sc1[nH]nc(n1)CC1CCCC1)C)Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1 C[C@H](Sc1[nH]nc(CC2CCCC2)n1)C(=O)Nc3ccc(cc3)[S](=O)(=O)[N-]c4ncccn4 InChIKey=QRYMZVBHZOBWIY-AWEZNQCLSA-M InChI=1S/C21H25N7O3S2/c1-14(32-21-25-18(26-27-21)13-15-5-2-3-6-15)19(29)24-16-7-9-17(10-8-16)33(30,31)28-20-22-11-4-12-23-20/h4,7-12,14-15H,2-3,5-6,13H2,1H3,(H3,22,23,24,25,26,27,28,29)/p-1/t14-/m0/s1 InChI=1/C21H25N7O3S2/c1-14(32-21-25-18(26-27-21)13-15-5-2-3-6-15)19(29)24-16-7-9-17(10-8-16)33(30,31)28-20-22-11-4-12-23-20/h4,7-12,14-15H,2-3,5-6,13H2,1H3,(H3,22,23,24,25,26,27,28,29)/p-1/t14-/m0/s1/fC21H24N7O3S2/h24,27H/q-1 C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)[N-]c2ncccn2)Sc3[nH]nc(n3)CC4CCCC4 C01[X(C21H24N7O3S2)] 165 C01 551 O=C([C@@H](Sc1[nH]nc(n1)CC1CCCC1)C)Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1 O=C([C@@H](S[C]1[NH][N][C]([N]1)CC1CCCC1)C)N[C]1[CH][CH][C]([CH][CH]1)[S]([N][C]1[N][CH][CH][CH][N]1)([O])[O] C[C@H](S[C]1[N][C](CC2CCCC2)[N]N1)C(=O)N[C]3[CH][CH][C]([CH][CH]3)[S]([O])([O])[N][C]4[N][CH][CH][CH][N]4 InChIKey=LLCLGWIZIBHQOU-AWEZNQCLSA-N InChI=1S/C21H24N7O3S2/c1-14(32-21-25-18(26-27-21)13-15-5-2-3-6-15)19(29)24-16-7-9-17(10-8-16)33(30,31)28-20-22-11-4-12-23-20/h4,7-12,14-15H,2-3,5-6,13H2,1H3,(H,24,29)(H,25,26,27)/t14-/m0/s1 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1530.4634 1547.4144 1555.3251 1559.5323 1589.6283 1613.4611 1618.1282 1625.6876 1630.2515 1638.5700 1641.2997 1644.6969 1645.4066 1672.2443 1677.0909 1685.1937 1724.1272 1726.6439 1770.9469 1801.0145 1811.6508 1815.6521 1950.0171 3187.4151 3194.1630 3206.7647 3209.5024 3212.4387 3215.5439 3226.4478 3236.6525 3248.2295 3258.6775 3262.4194 3272.2198 3287.0843 3304.9178 3308.3989 3320.2124 3323.2579 3330.6347 3388.8551 3415.2268 3415.5487 3454.2893 3883.5332 3926.2307 5.7121 6.4913 5.7405 4.2999 2.2133 2.7760 6.0114 5.4646 5.6536 3.1449 5.9186 5.0345 7.3384 5.7508 4.6565 6.6666 7.5907 3.2339 5.7434 7.6814 6.8243 5.8546 6.1710 1.0749 3.4180 4.3876 5.0188 5.0752 8.9670 7.6531 9.2219 3.7725 5.6639 5.6529 1.9611 3.2658 4.2145 4.9205 1.4599 4.6222 5.5062 2.1582 1.8692 4.3155 4.3762 2.8695 5.4473 2.5875 7.3521 7.4222 7.5421 6.5827 4.1879 3.9224 3.9188 4.1118 6.5273 1.4363 1.2010 5.6167 9.0096 3.7317 1.6676 6.7646 1.5957 4.2541 3.1056 2.4495 1.3985 1.8905 3.5830 2.0691 1.2880 10.1441 1.5897 1.3872 2.3318 8.0884 1.4665 6.5944 2.7199 1.4541 2.3946 1.3787 6.3132 2.4093 2.1319 2.7746 2.1641 2.3140 1.6150 3.6493 2.6777 2.2374 3.4338 1.7984 2.3321 2.9250 2.1180 1.2535 1.4563 1.4124 2.1857 8.9609 1.2406 2.2985 1.4976 1.6067 1.2398 1.2575 1.3368 1.3216 1.2807 1.4094 1.5163 2.0727 1.6934 1.9824 1.9563 1.6886 1.8372 1.5880 4.8762 3.0314 4.2923 1.1610 1.0820 1.0597 1.0437 1.0969 1.1020 1.1118 2.2384 3.0666 2.5144 5.5739 7.6001 3.7208 5.3162 5.5623 8.6487 1.0706 1.0758 1.0763 1.0651 1.0649 1.0408 1.0694 1.0971 1.0973 1.0981 1.1026 1.1041 1.0958 1.0899 1.0921 1.0904 1.1012 1.0908 1.0968 1.0940 1.0915 1.0934 1.0780 1.0833 0.0001 0.0003 0.0004 0.0010 0.0007 0.0011 0.0039 0.0051 0.0067 0.0055 0.0124 0.0131 0.0287 0.0293 0.0278 0.0702 0.0864 0.0583 0.1173 0.1722 0.1836 0.1711 0.1968 0.0456 0.1574 0.2250 0.3142 0.3431 0.6323 0.6036 0.7748 0.3660 0.5738 0.6132 0.2383 0.4053 0.5431 0.6472 0.2423 0.7717 0.9418 0.4247 0.3745 0.8752 0.9629 0.6409 1.3403 0.6933 2.0258 2.1050 2.1729 2.2402 1.4481 1.4531 1.4666 1.5619 2.5454 0.5746 0.4925 2.3446 3.9739 1.6518 0.7775 3.3410 0.7896 2.1414 1.5782 1.3110 0.7726 1.0778 2.1700 1.3137 0.8638 6.8313 1.0875 0.9520 1.6268 5.7197 1.0466 4.7678 2.0025 1.0733 1.7927 1.0335 4.7957 1.8905 1.7256 2.2711 1.7863 1.9464 1.3788 3.1342 2.3155 1.9785 3.1504 1.7132 2.2408 2.8507 2.0894 1.2677 1.5081 1.5077 2.3982 9.8773 1.3871 2.5974 1.7021 1.8872 1.4756 1.5249 1.6409 1.6353 1.6173 1.8190 1.9720 2.7213 2.2625 2.6928 2.6998 2.3823 2.6185 2.2756 7.2597 4.6496 6.6217 1.8079 1.6942 1.6764 1.6565 1.7482 1.7579 1.8318 3.7093 5.1311 4.4037 9.7908 14.0437 7.1109 10.2801 10.8037 19.3765 6.4087 6.4669 6.5209 6.4644 6.4749 6.3404 6.5589 6.7718 6.8215 6.8704 6.9142 6.9654 6.9760 7.0140 7.0430 7.0823 7.1654 7.1295 7.4215 7.5178 7.5024 7.6869 9.5789 9.8391 0.1820 0.4177 0.2390 0.2831 0.1437 0.2958 0.5339 2.6718 1.4424 1.6405 7.1147 4.3631 0.0643 1.0540 1.7362 0.9069 6.8908 2.2920 2.6898 2.2439 3.7302 5.2255 0.5493 0.8009 3.7009 0.8491 5.8648 25.3334 28.9748 0.9022 14.9973 0.0088 5.6542 2.5450 0.8541 0.0982 0.0357 5.2207 89.8731 5.7931 18.4863 32.5572 69.1527 32.7841 11.4098 14.5690 131.2836 0.6227 27.3341 2.2525 1.5935 199.1834 58.7467 6.7633 12.2606 3.9913 113.3913 9.0720 38.1344 13.7009 105.3682 9.5780 0.3916 30.9287 30.2578 30.6278 2.6601 1.7076 33.2597 1.4635 14.4653 1.7192 1.0188 24.7840 1.3298 3.4872 30.9940 359.2779 0.7101 6.1367 22.5174 4.7424 12.6884 0.0084 19.7637 15.7123 3.4917 25.7964 3.6931 36.7477 53.3552 321.4504 3.8587 46.6494 71.1391 6.1586 27.5682 49.2937 94.7719 4.0431 0.7343 1.0701 7.0339 240.6730 8.2134 282.5135 18.7710 41.4229 4.7213 5.3545 12.7657 11.6360 4.5942 0.1601 60.6129 164.4764 55.2257 32.1933 43.7683 0.5906 107.8617 107.9279 45.1128 791.1146 1529.4052 10.3875 0.1903 1.9545 7.2787 6.0104 1.4516 0.8111 10.1963 171.0232 541.6819 235.9050 76.5493 199.3694 21.3169 515.2985 246.6096 20.6715 14.8783 30.4387 31.8388 36.0975 23.2042 67.9562 44.5554 17.4950 34.1358 3.5376 159.3476 15.3935 87.3538 21.2282 77.4633 9.6569 37.4707 42.4354 2.3337 0.6288 0.0469 27.1548 130.1260 2.3454 1.1127 1.0227 5.2393 0.4380 0.5256 1.9691 3.6381 0.6486 0.2229 1.0025 1.4463 4.2678 0.7189 0.5655 2.6068 1.1912 0.3083 1.1564 0.4422 0.3716 1.2369 0.5066 0.1494 1.5256 2.0152 0.5098 1.9163 0.3591 2.0071 4.0129 0.4512 3.2384 1.6781 0.2212 0.0396 1.0954 4.3982 0.6262 1.0742 1.2382 0.2331 2.1202 1.5784 3.1003 2.3975 12.2020 2.6529 8.8717 6.9676 2.8077 5.2691 1.3194 8.7061 4.2902 4.2210 2.9947 1.7642 0.3532 3.8171 29.3025 1.4377 2.6132 0.3573 4.7410 20.7453 16.6820 8.0619 1.7819 1.8533 5.0047 2.5083 3.0965 29.4927 4.6907 3.0928 9.7785 3.2499 5.2037 5.6221 0.3359 0.9921 2.5179 3.9218 5.8187 2.6454 12.1456 13.6015 13.0875 3.7551 17.2061 7.6304 6.4918 0.7079 32.2606 0.7503 10.3423 3.1222 3.1940 22.5645 1.6578 14.3030 12.3051 6.2496 13.5652 53.9816 22.0231 3.1240 6.3918 23.4076 1.9294 1.7034 6.4247 0.5806 8.2198 30.4514 17.8461 31.5014 6.3823 9.0601 3.5219 1.1454 3.6857 3.3824 9.6931 7.8714 23.7690 14.3806 14.8638 7.8269 5.8193 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15.99491 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 31.97207 12.00000 14.00307 1.00783 14.00307 12.00000 14.00307 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 6690.8967 64922.3601 67024.3598 0.99996 0.00691 0.00552 -0.00691 0.99998 0.00032 -0.00552 -0.00036 0.99998 1 0.01295 0.00133 0.00129 0.26973 0.02780 0.02693 7.27 12.97 15.75 28.02 32.49 37.68 47.84 57.08 64.40 78.61 85.62 95.60 117.21 133.71 144.92 192.36 199.95 251.77 267.88 280.68 307.43 320.42 334.75 386.24 402.23 424.47 469.03 487.35 497.74 526.42 543.30 583.80 596.59 617.34 653.43 660.37 672.86 679.78 763.62 765.90 775.22 831.50 839.00 844.12 879.27 885.84 929.77 970.26 983.92 998.21 1006.09 1093.48 1102.23 1140.89 1146.67 1155.25 1170.53 1185.57 1200.29 1211.04 1244.87 1247.08 1279.94 1317.31 1318.59 1329.87 1336.24 1371.30 1393.22 1415.26 1458.74 1493.55 1535.08 1538.20 1550.33 1552.83 1565.63 1576.24 1583.48 1593.83 1608.35 1610.35 1621.81 1622.90 1633.68 1660.37 1686.41 1695.85 1703.00 1719.07 1731.93 1737.12 1743.03 1762.62 1795.42 1829.49 1837.38 1850.48 1861.71 1884.99 1907.50 1936.63 1963.44 1967.94 1982.01 1992.58 1998.32 2031.50 2044.90 2064.09 2076.75 2085.03 2106.36 2129.47 2137.65 2147.78 2166.63 2184.60 2202.00 2226.38 2237.77 2243.82 2287.12 2321.41 2328.13 2339.00 2345.57 2357.54 2361.46 2366.35 2367.37 2405.99 2412.96 2424.62 2480.63 2484.26 2548.00 2591.26 2606.56 2612.32 2805.64 4585.98 4595.69 4613.82 4617.76 4621.98 4626.45 4642.14 4656.82 4673.48 4688.51 4693.89 4707.99 4729.38 4755.04 4760.05 4777.05 4781.43 4792.04 4875.81 4913.75 4914.21 4969.95 5587.54 5648.97 0.481356 0.510633 0.511577 0.410301 -2209.455716 -2209.426440 -2209.425496 -2209.526772 3.396814D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)[N-]c2ncccn2)Sc3[nH]nc(n3)CC4CCCC4 C25000983 RHF 6-31G(d) (6D,10F) C1 486.138206 |X|Y|Z| 183.537114 50.664656 37.716236 70.521106 29 6 7 16 20 7 2 |36.858105| |12.447634|36.858105| |8.843689|17.651639|0.500000| |7.608504|12.464075|0.243481|36.858105| |6.162572|8.041276|0.163857|15.875650|73.516695| |5.768337|7.899854|0.209839|14.132892|14.903596|53.358707| |4.172355|5.014630|0.134734|7.607447|11.430035|18.266141|36.858105| |3.613988|4.183465|0.107501|6.234143|11.464551|10.477673|13.774535|36.858105| |2.890332|3.216394|0.084979|4.290444|7.860891|6.961837|7.963116|13.686358|36.858105| |2.636476|2.899411|0.079217|3.662403|6.353578|6.179520|6.854704|7.892619|13.820320|36.858105| |2.834269|3.141445|0.088540|3.894628|6.353917|7.070535|7.917358|6.850377|7.974327|13.715656|36.858105| |3.500067|4.014310|0.114820|5.163698|7.839323|10.853653|13.659496|7.927424|6.919204|7.954168|13.839054|36.858105| |2.126855|2.281237|0.062551|2.734852|4.832799|4.335533|4.173873|4.694629|6.922210|10.665652|6.900668|4.712691|388.023441| |2.072074|2.164600|0.059448|2.542569|4.453899|4.007063|3.727447|3.997342|5.306978|7.384756|5.982674|4.285137|93.545271|73.516695| |2.022969|2.166409|0.058499|2.604005|4.756321|3.967932|3.707971|4.467788|6.624355|7.393539|4.930393|3.833563|93.590729|13.801270|73.516695| |1.982103|2.157008|0.060314|2.528984|4.387029|4.031013|3.749171|3.944072|5.167304|7.449891|6.318527|4.414638|85.478337|13.313867|13.209366|53.358707| |1.741253|1.876208|0.052557|2.149767|3.748536|3.342761|2.969995|3.103643|3.852551|4.932122|4.432738|3.397474|53.150256|10.605857|10.538901|19.420076|36.858105| |1.651185|1.789363|0.050665|2.017251|3.486330|3.126498|2.704203|2.748288|3.243795|3.991233|3.853489|3.101847|36.021992|7.676756|7.597747|11.409905|14.076317|53.358707| |1.483674|1.593985|0.045075|1.772650|3.079142|2.701143|2.282637|2.324182|2.687184|3.170687|3.063656|2.562530|28.111762|6.358951|6.313350|7.492854|8.389083|19.852551|36.858105| |1.397428|1.485518|0.041695|1.649454|2.891344|2.484699|2.090866|2.159566|2.508494|2.904731|2.740137|2.307975|26.623736|6.256720|6.239668|6.416645|7.037268|10.889168|13.728814|36.858105| |1.462313|1.547023|0.043092|1.735623|3.063384|2.615860|2.232707|2.347696|2.798460|3.265639|2.970974|2.453232|32.371028|7.699365|7.718990|7.382914|8.375749|9.630830|8.194603|13.769110|36.858105| |1.621871|1.723074|0.047863|1.963026|3.464635|2.995422|2.622442|2.790302|3.453341|4.195667|3.674224|2.912228|47.097946|10.592732|10.654421|11.067833|14.146753|10.935920|7.102699|8.022539|14.557490|53.358707| |6.806105|10.393105|0.222652|7.069366|11.611941|6.796169|3.748737|3.427244|2.746764|2.455172|2.568256|3.091592|14.236377|3.337895|3.465521|2.607942|1.694516|2.219438|1.468429|1.372999|1.421364|2.131763|388.023441| |5.582202|6.947626|0.197331|4.707337|7.434416|5.285227|3.035012|2.724195|2.279510|2.112782|2.250511|2.670734|12.548748|2.977429|3.024526|2.339627|1.540820|2.044922|1.364453|1.273774|1.306192|1.939087|77.185478|36.858105| |4.115452|4.725979|0.132463|3.627161|6.030646|4.212332|2.542760|2.342788|2.007946|1.868966|1.967613|2.275985|11.328146|2.687378|2.753355|2.124690|1.414648|1.887578|1.269701|1.188871|1.214250|1.789119|50.159463|14.322333|53.358707| |3.654148|4.162532|0.112744|3.379343|5.827554|3.907117|2.407840|2.265459|1.953280|1.805387|1.876544|2.144800|11.019313|2.603784|2.703165|2.064163|1.378848|1.838585|1.240159|1.164349|1.189765|1.749752|45.650371|9.053904|26.105359|0.500000| |3.570870|3.906634|0.114839|3.061786|5.024064|3.715761|2.282435|2.087178|1.819355|1.722167|1.828601|2.098500|10.556512|2.523080|2.549845|1.995034|1.337567|1.795975|1.213959|1.136306|1.155013|1.692808|34.983451|8.675453|19.173135|0.258400|53.358707| |4.052304|4.398168|0.136874|3.307531|5.235559|4.081911|2.461663|2.199134|1.907484|1.821414|1.964205|2.284668|11.076991|2.661722|2.646650|2.094472|1.398208|1.876979|1.263961|1.179712|1.199463|1.762960|35.426955|9.116954|12.550857|0.175691|20.069659|36.858105| |5.538116|6.387033|0.209515|4.305342|6.529725|5.162132|2.965678|2.593451|2.195436|2.078171|2.257853|2.694477|12.377335|2.966342|2.944237|2.321876|1.531940|2.041961|1.363290|1.269701|1.297903|1.923497|49.065054|14.644347|12.045815|0.169660|11.620980|13.971550|53.358707| |3.392773|3.523811|0.110954|2.783472|4.410927|3.576908|2.213243|1.971876|1.741371|1.690756|1.837234|2.112591|10.411971|2.524371|2.471695|1.981937|1.332703|1.799149|1.217699|1.136747|1.150766|1.682568|25.983788|5.393028|7.357102|0.119687|10.559747|12.725171|10.336813|36.858105| |3.482713|3.360620|0.103610|2.662399|4.229580|3.434408|2.137762|1.905725|1.690093|1.646535|1.790836|2.052167|10.182928|2.498712|2.411753|1.922332|1.294271|1.738222|1.178851|1.106307|1.124272|1.643515|23.434441|4.480131|5.831590|0.098824|7.344620|7.527312|8.265111|12.441779|36.858105| |2.814793|2.719303|0.083375|2.255782|3.614758|2.984000|1.906470|1.707054|1.538977|1.517937|1.654282|1.867662|9.515569|2.350170|2.246379|1.807690|1.226716|1.656039|1.129602|1.061230|1.074008|1.561155|18.668601|3.323622|4.401326|0.077985|5.341932|4.880877|5.684098|7.424123|12.423958|36.858105| |2.692808|2.500877|0.074603|2.102373|3.409994|2.770539|1.788160|1.616034|1.464539|1.443149|1.562854|1.750183|9.108802|2.268685|2.156015|1.716778|1.168153|1.569129|1.073750|1.015109|1.031205|1.497040|16.994830|2.900904|3.830235|0.069371|4.446165|3.852828|4.745480|4.979046|7.844839|12.377249|36.858105| |2.934053|2.656932|0.077303|2.201085|3.609502|2.830314|1.812707|1.653126|1.487633|1.448290|1.553073|1.743025|9.111808|2.263779|2.173204|1.703138|1.155988|1.544156|1.055644|1.001198|1.021568|1.486208|18.483491|3.183737|4.257419|0.077186|4.919953|4.157238|5.098018|4.965842|7.831932|7.732105|12.267085|36.858105| |3.300088|3.067621|0.089886|2.463074|4.018684|3.112401|1.958696|1.780749|1.584687|1.530748|1.640635|1.859541|9.540558|2.346746|2.281001|1.786850|1.207406|1.614298|1.099408|1.038663|1.059086|1.545035|22.184579|4.115074|5.633107|0.098665|6.941481|6.063808|6.802265|7.364584|12.416672|7.972470|7.716675|12.361549|36.858105| |17.601548|8.817446|0.173512|6.983385|11.757905|6.934105|3.925777|3.599593|2.887182|2.578152|2.692758|3.236258|14.929699|3.636993|3.607811|2.627888|1.700874|2.180509|1.444278|1.369881|1.441302|2.175611|45.241015|4.864916|5.184408|0.097642|4.429394|3.524229|6.160296|2.964435|3.040701|2.504277|2.439071|2.696393|2.995367|0.500000| |17.539134|8.838831|0.211884|6.929939|9.754085|8.259275|4.472869|3.751743|3.025085|2.809177|3.079677|3.852390|16.002373|3.956824|3.747814|2.834868|1.821112|2.339583|1.539618|1.450359|1.522602|2.307663|36.057569|4.415896|4.650742|0.085049|4.203576|3.541349|6.299575|3.125268|3.281585|2.742401|2.654705|2.822063|3.060302|0.300557|0.500000| |17.608126|8.823454|0.213724|5.523543|8.351456|6.154086|3.440928|3.017751|2.494334|2.315726|2.493647|3.011874|13.592969|3.325744|3.235459|2.455070|1.602952|2.086688|1.387753|1.308235|1.360917|2.037422|45.129105|6.234242|6.225295|0.109323|5.545745|4.777723|9.017935|3.964057|4.212318|3.261054|3.129986|3.506905|4.037979|0.299532|0.301022|0.500000| |5.742582|7.749058|0.246003|9.536204|10.881164|26.087442|9.343895|5.751841|4.299893|4.096845|4.960012|7.723966|21.153121|4.971676|4.753189|3.869733|2.382800|3.079609|1.960389|1.792691|1.869279|2.891177|33.858209|4.010002|4.301404|0.079809|3.880970|3.221123|5.610770|2.863765|2.749439|2.390292|2.193981|2.209789|2.430685|0.132150|0.174153|0.130269|0.500000| |3.786652|4.397970|0.107988|6.779911|14.694720|9.488567|8.921775|17.818148|8.898152|5.637481|4.948086|5.641381|27.689480|6.022416|6.989125|4.522793|2.718575|3.315372|2.101541|1.973743|2.138420|3.398087|26.663753|2.859841|3.355107|0.066940|2.938655|2.245433|3.610885|1.984446|1.913361|1.698821|1.612357|1.668675|1.808878|0.108611|0.105424|0.087040|0.143032|0.500000| |2.614584|2.865254|0.074969|3.714853|7.102286|5.628759|5.659292|8.902522|17.760810|9.004025|5.676466|4.979462|47.341069|8.975417|13.931923|6.559666|3.759043|4.253723|2.636870|2.512829|2.845899|4.769031|18.053627|2.110204|2.566470|0.051460|2.323464|1.770368|2.742152|1.616401|1.569777|1.433186|1.370249|1.397974|1.486342|0.073897|0.074965|0.063361|0.098150|0.214458|0.500000| |2.543180|2.774720|0.079486|3.280947|5.344348|5.736784|5.635110|4.943692|5.671354|8.932442|17.760348|8.938277|46.964568|11.022349|8.033887|9.361038|4.899650|5.893114|3.385029|2.975995|3.191877|5.367466|16.371250|2.071390|2.488978|0.048376|2.343625|1.854103|2.863330|1.759935|1.721245|1.610192|1.522374|1.498703|1.571529|0.066784|0.076926|0.063366|0.117245|0.107500|0.124887|0.500000| |3.575004|4.082894|0.122914|4.857668|7.082402|10.048216|8.877347|5.638145|4.972417|5.652515|8.957557|17.672643|27.720677|6.570159|5.705447|5.218867|3.079870|3.951728|2.433429|2.181182|2.279609|3.605788|21.925952|2.760388|3.181508|0.060417|2.975728|2.421874|3.897956|2.269338|2.209243|2.019668|1.878734|1.848351|1.968409|0.088991|0.111118|0.086973|0.238418|0.123973|0.107913|0.215734|0.500000| |1.424538|1.533613|0.043607|1.687989|2.919912|2.561810|2.130823|2.143170|2.421321|2.807473|2.777118|2.384585|23.546691|5.384655|5.342102|6.035360|5.886689|12.808894|17.628173|8.885932|5.731147|6.892077|10.108729|1.332497|1.694843|0.033778|1.627772|1.244364|1.816896|1.203729|1.161847|1.117565|1.059332|1.037904|1.081225|0.038391|0.040936|0.037218|0.052041|0.054201|0.065627|0.085049|0.063879|0.500000| |1.295823|1.371844|0.038513|1.509837|2.650274|2.254464|1.870967|1.926399|2.201064|2.496835|2.376923|2.045522|22.079207|5.292829|5.281824|5.069966|5.038985|7.732077|8.789419|17.745554|8.801004|7.741288|9.076060|1.191111|1.520775|0.030441|1.458370|1.109910|1.617126|1.072974|1.045159|1.006234|0.964120|0.950186|0.983595|0.035326|0.037269|0.033865|0.045308|0.049413|0.061455|0.071168|0.054175|0.210573|0.500000| |1.391418|1.460368|0.040494|1.631969|2.897805|2.434663|2.059936|2.179517|2.578223|2.934551|2.656718|2.231387|28.515095|7.065346|7.111952|5.940331|5.887808|6.875741|5.726743|8.883273|17.645455|12.801687|9.577575|1.238371|1.571492|0.031485|1.495520|1.138500|1.672684|1.093003|1.071562|1.024840|0.988280|0.981196|1.014338|0.038286|0.040215|0.036038|0.048215|0.055780|0.073831|0.078163|0.057697|0.124378|0.210183|0.500000| |3.263376|3.484567|0.113542|2.801236|4.377710|3.697074|2.294238|2.019196|1.788693|1.753646|1.926657|2.222810|10.778030|2.609255|2.539935|2.069245|1.390374|1.886953|1.274485|1.183419|1.193465|1.745311|24.764206|4.879993|6.361708|0.106028|8.258268|9.041898|9.304829|17.531584|8.863059|6.844831|4.518759|4.183064|5.437983|0.078383|0.085408|0.102662|0.083734|0.055807|0.045842|0.051566|0.067225|0.035095|0.030995|0.031375|0.500000| |2.895464|3.006101|0.092145|2.452569|3.964533|3.154177|1.989144|1.797616|1.603182|1.557140|1.678070|1.903530|9.692043|2.347564|2.312874|1.850762|1.252592|1.696480|1.154265|1.079653|1.090054|1.586275|22.867502|4.557545|6.764490|0.115290|10.191236|9.053210|7.701181|17.563457|8.817304|6.749914|4.666485|4.671825|6.750747|0.072208|0.074305|0.092059|0.069170|0.050404|0.041643|0.044813|0.056325|0.031784|0.028403|0.028812|0.302164|0.500000| |4.119627|3.861495|0.121285|2.983969|4.649176|3.863185|2.366495|2.080057|1.829645|1.783652|1.956279|2.270303|10.924317|2.689753|2.572724|2.051920|1.373039|1.836012|1.239289|1.161995|1.184886|1.740308|25.351422|4.727805|5.709680|0.096281|6.643308|6.953256|9.139004|8.909907|17.513336|8.886566|6.917679|6.887393|8.881433|0.096584|0.109365|0.142499|0.087139|0.057755|0.046865|0.052067|0.068478|0.033814|0.030397|0.031333|0.213542|0.173965|0.500000| |2.755650|2.697538|0.084192|2.263729|3.593048|3.053848|1.959402|1.738373|1.572750|1.565348|1.722249|1.946338|9.809697|2.426980|2.299720|1.874017|1.271637|1.722622|1.173729|1.098950|1.109326|1.612489|18.056006|3.145236|4.075758|0.072479|4.814748|4.422431|5.400409|6.450795|8.669917|17.549668|8.657301|5.628946|5.659224|0.067491|0.075992|0.086918|0.068824|0.047611|0.040489|0.046871|0.059148|0.032315|0.028925|0.029333|0.192029|0.158165|0.216060|0.500000| |2.506603|2.465411|0.074924|2.074927|3.361001|2.739933|1.767114|1.596523|1.447081|1.426482|1.545363|1.730579|9.001041|2.215462|2.133802|1.717228|1.170652|1.586178|1.085882|1.020509|1.029700|1.491302|17.422402|3.102818|4.264878|0.076634|5.302324|4.599741|5.130695|7.027141|8.847879|17.501763|8.777097|6.418710|6.923233|0.062886|0.067271|0.079393|0.060441|0.044249|0.037615|0.041849|0.051654|0.029929|0.026946|0.027311|0.178573|0.208951|0.174473|0.302443|0.500000| |2.771781|2.534100|0.075800|2.143577|3.456169|2.855444|1.847458|1.660085|1.506843|1.492425|1.625265|1.821841|9.413428|2.359305|2.216823|1.770130|1.202910|1.612575|1.102177|1.042430|1.060674|1.541994|16.694543|2.776689|3.574375|0.064890|4.024276|3.509371|4.542186|4.336601|6.462372|8.789252|17.553039|8.735093|5.976607|0.069303|0.077666|0.088955|0.063186|0.045744|0.039031|0.044113|0.054647|0.030156|0.027474|0.028237|0.114287|0.109241|0.184029|0.221380|0.175296|0.500000| |2.336244|2.191630|0.064892|1.878705|3.076027|2.487004|1.626367|1.481247|1.353710|1.337776|1.442704|1.599418|8.520007|2.124803|2.020879|1.610346|1.101805|1.483841|1.019997|0.966193|0.979367|1.415868|15.060228|2.527073|3.394628|0.062532|3.922293|3.277408|4.018979|4.142625|5.701157|8.705133|17.562055|8.636339|5.869059|0.059630|0.064132|0.073923|0.054369|0.041033|0.035336|0.039212|0.047506|0.028013|0.025567|0.026117|0.106669|0.113733|0.139196|0.192450|0.222224|0.303963|0.500000| |3.181694|2.776041|0.079773|2.297223|3.767988|2.944879|1.882912|1.716648|1.541262|1.497699|1.605397|1.805227|9.401032|2.347056|2.240756|1.744908|1.181399|1.570304|1.071897|1.018878|1.043724|1.522172|18.844586|3.151213|4.100397|0.074650|4.545702|3.840198|4.992648|4.301115|6.403022|5.945331|8.734067|17.555691|8.771377|0.081481|0.085902|0.106960|0.063698|0.048170|0.040201|0.042929|0.053087|0.029178|0.026825|0.027883|0.103622|0.108946|0.181259|0.133864|0.135473|0.229585|0.182009|0.500000| |2.581651|2.355716|0.067666|1.988482|3.305442|2.553867|1.654776|1.525351|1.381732|1.343937|1.430854|1.591013|8.522760|2.118095|2.042428|1.593193|1.086280|1.451936|0.996558|0.948003|0.966758|1.401816|16.703249|2.824557|3.874301|0.071824|4.449480|3.577963|4.357587|4.146331|5.714900|5.914817|8.644631|17.562476|8.709802|0.067290|0.068840|0.083942|0.054854|0.042902|0.036286|0.038412|0.046538|0.027240|0.025056|0.025856|0.098299|0.114414|0.138912|0.126141|0.153956|0.181066|0.223032|0.304086|0.500000| |2.883484|2.756403|0.080295|2.257555|3.727991|2.854395|1.815550|1.665694|1.490990|1.439565|1.534125|1.724898|9.031128|2.213622|2.168644|1.698403|1.152598|1.546097|1.056484|0.998597|1.015543|1.476450|20.645220|3.828728|5.569457|0.099722|7.179297|5.728989|6.045030|6.990997|8.849920|6.901252|6.364711|8.765143|17.510811|0.073990|0.074018|0.094999|0.061462|0.047121|0.039045|0.040892|0.050450|0.028934|0.026329|0.027037|0.142431|0.209564|0.174558|0.139094|0.197214|0.135235|0.151414|0.175495|0.223049|0.500000| |3.767356|3.411173|0.097408|2.683958|4.406819|3.313528|2.064239|1.884999|1.663097|1.590805|1.695467|1.930430|9.859805|2.420859|2.367302|1.833489|1.234264|1.641904|1.115636|1.055678|1.080704|1.581475|25.147193|4.698756|6.378118|0.111074|7.482107|6.323524|7.508056|6.366773|8.666277|5.663872|5.639042|8.660096|17.569723|0.095861|0.094234|0.132569|0.071108|0.053686|0.043390|0.044755|0.056299|0.030376|0.027723|0.028775|0.133624|0.157745|0.216279|0.124635|0.139338|0.135092|0.125706|0.221841|0.191725|0.302937|0.500000| 2207.542822 -12009.793952 4439.728421 -239.477548 -5602.000257 3392.063139 -2209.937118 2.001085 40A4400000000013 451534D89711AE6A 44954A22B9CB79E4 4253160EFA3BFFFE 37B16C2614EA0800 44D248F17F01FE8A