Version2.1 2020-12-18T03:26:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cn1c(nn(c1=S)C[NH+]2CCN(CC2)Cc3nc(no3)c4ccc(cc4)OC)CCC(=O)N C22934643 RHF 6-31G(d) (6D,7F) Cn1c(nn(c1=S)C[NH+]2CCN(CC2)Cc3nc(no3)c4ccc(cc4)OC)CCC(=O)N C01[X(C21H29N8O3S1)] 180 C1 557 COc1ccc(cc1)c1noc(n1)CN1CC[NH+](CC1)Cn1nc(n(c1=S)C)CCC(=O)N COc1ccc(cc1)c1noc(n1)CN1CC[NH+](CC1)Cn1nc(n(c1=S)C)CCC(=O)N COc1ccc(cc1)c2noc(CN3CC[NH+](CC3)CN4N=C(CCC(N)=O)N(C)C4=S)n2 InChIKey=YAOQZZXPXDGHNI-UHFFFAOYSA-O InChI=1S/C21H28N8O3S/c1-26-18(8-7-17(22)30)24-29(21(26)33)14-28-11-9-27(10-12-28)13-19-23-20(25-32-19)15-3-5-16(31-2)6-4-15/h3-6H,7-14H2,1-2H3,(H2,22,30)/p+1 InChI=1/C21H28N8O3S/c1-26-18(8-7-17(22)30)24-29(21(26)33)14-28-11-9-27(10-12-28)13-19-23-20(25-32-19)15-3-5-16(31-2)6-4-15/h3-6H,7-14H2,1-2H3,(H2,22,30)/p+1/fC21H29N8O3S/h28H,22H2/q+1 Cn1c(nn(c1=S)C[NH+]2CCN(CC2)Cc3nc(no3)c4ccc(cc4)OC)CCC(=O)N C01[X(C21H29N8O3S1)] 180 C01 557 COc1ccc(cc1)c1noc(n1)CN1CC[NH+](CC1)Cn1nc(n(c1=S)C)CCC(=O)N CO[C]1[CH][CH][C]([CH][CH]1)[C]1[N]OC(=[N]1)CN1CC[NH](CC1)CN1N=C([N]([C]1S)C)CCC(=O)N CO[C]1[CH][CH][C]([CH][CH]1)[C]2[N]OC(=N2)CN3CC[NH](CC3)CN4N=C(CCC(N)=O)N(C)[C]4S InChIKey=DYSXSXQJWRSXSA-UHFFFAOYSA-N InChI=1S/C21H30N8O3S/c1-26-18(8-7-17(22)30)24-29(21(26)33)14-28-11-9-27(10-12-28)13-19-23-20(25-32-19)15-3-5-16(31-2)6-4-15/h3-6,28,33H,7-14H2,1-2H3,(H2,22,30) InChI=1/C21H30N8O3S/c1-26-18(8-7-17(22)30)24-29(21(26)33)14-28-11-9-27(10-12-28)13-19-23-20(25-32-19)15-3-5-16(31-2)6-4-15/h3-6,28,33H,7-14H2,1-2H3,(H2,22,30)/f/h22H2 3309.4818310796 -1869.5861639 1-A 35691.0361 125 432 557 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.01364 -20.74402 -20.64825 -20.61167 -15.84152 -15.79916 -15.77363 -15.73997 -15.69897 -15.69305 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1454.7540 1462.4195 1475.3757 1477.2950 1485.8885 1504.0581 1522.0456 1533.8884 1541.9052 1547.2038 1552.3402 1557.9463 1570.2259 1590.1104 1591.8728 1595.4094 1604.7348 1609.7088 1615.1749 1621.0144 1622.7038 1626.7760 1630.5274 1631.2053 1634.2446 1637.9815 1638.2276 1648.6138 1649.9570 1651.3462 1654.0523 1657.6833 1662.4880 1696.2853 1749.9550 1777.3500 1799.3906 1814.7957 1842.5082 1847.8748 1973.2961 3138.2046 3145.5053 3188.0421 3216.7974 3231.6888 3246.2735 3259.9885 3267.9019 3274.7468 3282.4958 3283.6807 3291.9119 3294.2899 3303.7546 3322.8123 3336.3708 3340.8255 3342.2164 3342.3348 3353.2491 3379.8521 3383.6314 3390.4287 3397.6902 3407.1755 3416.0199 3540.5294 3835.4962 3965.9340 6.1569 5.5323 7.7363 5.2917 4.9185 4.6786 4.4236 4.9831 1.3536 4.3234 3.0648 4.1880 2.0554 4.5431 4.5882 3.5121 4.8315 5.4457 5.1595 4.0764 1.1871 4.2988 3.5710 3.6666 2.1214 2.4821 2.9464 2.8452 3.3769 3.9819 3.9936 2.9347 5.2078 2.7485 4.0894 2.4301 5.2676 3.2149 2.6999 2.8483 4.2940 4.5015 2.8045 1.4283 4.1595 4.9743 2.7141 3.4207 3.6652 3.5057 3.6931 1.7273 6.9425 4.8510 4.5905 4.2092 6.0494 3.6433 4.8085 4.3856 4.4787 4.7386 3.2926 2.2260 2.5399 1.8045 1.2621 3.0159 1.7571 3.4366 2.4640 4.7872 2.8814 5.5886 2.7466 1.3586 3.0839 2.2825 1.5760 2.0191 3.1119 2.2839 3.2292 4.7234 2.0024 6.0811 2.7308 2.9636 1.9556 3.6128 2.2774 1.6675 2.1927 1.3089 2.0708 1.2672 2.1314 1.8318 1.5920 1.1925 1.8029 1.4329 1.8162 1.6672 1.4526 1.5251 1.8589 3.6681 1.1276 2.2803 1.4823 1.5578 1.7124 1.5415 2.2053 1.3095 1.4876 1.7234 2.2336 2.5936 2.8409 2.0396 1.7185 3.1680 1.7399 1.4820 1.3480 1.1309 1.4316 1.1448 1.2959 1.1780 1.3935 1.2177 1.1056 1.1031 1.1545 1.0988 1.1046 1.0474 1.2364 1.0554 1.1125 2.7804 7.5857 7.1200 1.2419 5.3763 10.2462 10.3045 9.5476 1.0753 1.0739 1.0730 1.0341 1.0623 1.0619 1.0342 1.1029 1.0597 1.0669 1.1081 1.1033 1.0862 1.0618 1.0932 1.0921 1.1116 1.1084 1.1025 1.1108 1.1062 1.1124 1.0900 1.0902 1.0968 1.0947 1.0796 1.0473 1.1061 0.0002 0.0005 0.0013 0.0012 0.0018 0.0041 0.0070 0.0084 0.0029 0.0096 0.0077 0.0146 0.0089 0.0244 0.0324 0.0317 0.0555 0.1023 0.1160 0.1019 0.0315 0.1272 0.1200 0.1403 0.0840 0.1045 0.1369 0.1364 0.1673 0.2158 0.2427 0.1865 0.3881 0.2222 0.3797 0.2571 0.5793 0.4125 0.3614 0.3929 0.6109 0.7097 0.4634 0.2512 0.7449 0.9530 0.5539 0.8139 0.9325 0.8976 0.9782 0.4859 1.9963 1.4592 1.3855 1.3669 2.1263 1.3337 1.8002 1.7875 1.9159 2.1473 1.5130 1.0244 1.2342 0.9045 0.6418 1.5467 0.9467 1.9463 1.4881 3.0617 1.8862 3.7339 1.8853 0.9588 2.1928 1.6453 1.1473 1.4704 2.3948 1.7718 2.5191 3.7015 1.5861 4.9266 2.2444 2.4717 1.6809 3.1560 1.9997 1.4654 2.0257 1.2298 2.0136 1.2491 2.1046 1.8191 1.5965 1.2029 1.8348 1.4720 1.9188 1.8110 1.6398 1.7381 2.2759 4.5042 1.3867 2.8161 1.8483 1.9629 2.1961 1.9821 2.8687 1.7454 2.0304 2.3891 3.1288 3.6580 4.0335 2.9167 2.4964 4.7194 2.5977 2.2225 2.0453 1.7265 2.2005 1.7724 2.0106 1.8367 2.1828 1.9091 1.7398 1.7437 1.8255 1.7596 1.7718 1.6828 1.9931 1.7086 1.8117 4.7137 13.6866 13.2519 2.3692 10.4326 20.4943 20.7312 21.9044 6.2393 6.2604 6.4257 6.3047 6.5368 6.5932 6.4754 6.9396 6.6953 6.7730 7.0395 7.0442 6.9454 6.8281 7.1112 7.1622 7.3101 7.2950 7.2568 7.3593 7.4452 7.5040 7.3820 7.4150 7.5016 7.5266 7.9735 9.0776 10.2506 0.0492 3.4617 8.5939 3.1011 0.5674 0.9947 2.8766 0.0766 0.6610 0.8470 1.4993 0.7087 1.2371 3.4093 3.2149 6.0521 6.8152 1.3103 10.0385 9.8510 276.3796 8.1397 9.2816 14.5233 2.5935 5.6443 1.3674 1.8452 5.0143 0.8601 2.4538 4.6304 2.9285 0.5638 3.0264 5.3074 2.1773 0.1624 0.3432 3.7669 4.3900 10.2565 0.6460 9.6134 17.7752 16.4617 6.4993 6.3829 8.8269 36.7114 10.4255 18.8804 9.3947 5.4041 16.2884 14.8506 13.7968 5.1129 5.6160 10.1095 30.0353 21.8551 9.0601 17.7774 4.9502 1.2718 3.0693 7.1417 57.3123 19.5750 54.3662 94.0806 151.3679 21.5397 9.6837 0.0104 3.3970 4.9409 1.4956 3.0275 7.8298 8.4066 4.9441 8.8765 4.0368 53.9568 14.6316 44.8845 8.6530 12.6659 43.3329 16.4501 91.2974 4.8127 15.8693 3.4290 27.2133 29.4585 82.9747 0.2819 14.0868 2.9440 46.7344 67.7928 60.1416 73.5285 40.9305 430.2955 12.1990 122.4478 2.9337 11.0271 46.1230 57.3100 107.0752 10.4957 179.6502 93.6895 108.3848 70.9175 92.6740 47.5578 122.7257 152.9948 132.4566 101.4224 54.8690 6.8144 165.0678 3.2466 42.7876 26.1161 9.5411 20.0196 5.6875 25.2729 2.8781 7.5814 32.0911 5.7674 124.0370 25.2083 20.7633 121.0924 13.6220 106.1086 154.9626 198.1343 153.7962 247.7744 371.0165 12.0724 68.0317 26.2451 48.3806 6.8865 5.1681 18.0323 6.0948 3.6320 1.7654 47.9490 6.3719 8.3050 3.8040 4.2801 2.2676 3.3613 6.9547 34.7304 6.8830 0.2622 1.4436 3.8053 4.8648 4.1478 8.7028 225.2005 93.1636 70.8380 3.3743 4.0103 0.9504 0.7434 2.1622 2.1740 1.0292 0.9663 0.2642 0.4784 0.9925 0.1900 0.7355 0.1975 0.4517 0.3075 0.4269 0.9761 0.6928 0.4373 0.2755 0.5123 1.1673 1.6010 1.3835 2.0268 0.2344 1.1124 1.0032 0.5643 0.7206 1.4875 0.1188 1.3602 0.3358 0.7677 3.8053 0.1430 1.6385 1.1258 1.7371 2.1369 2.0583 3.6564 2.1809 3.0872 0.0127 0.5492 2.3359 1.2794 1.5291 0.5639 7.7641 4.4359 3.2176 3.0379 1.5553 1.3086 1.8223 2.3098 17.9777 19.6179 6.3239 2.7800 5.1994 1.4319 2.3797 9.9326 0.9102 7.0288 2.0915 25.0207 8.3797 27.2672 5.5902 3.4498 4.4856 0.7932 0.9863 1.5999 3.2217 1.4149 3.8401 9.0025 1.5677 4.8364 10.7325 3.7469 7.8035 15.9042 6.2886 12.8994 16.5613 1.5220 11.2704 4.4859 11.2949 24.1970 9.1993 0.6612 4.2476 6.3744 2.6442 1.1257 2.9917 0.8129 10.1329 67.1248 14.6628 9.3975 12.2489 20.5217 39.2384 6.9617 10.4365 6.3258 2.6480 4.6865 11.1886 7.9050 10.4544 10.3723 9.4100 69.8779 6.0424 1.4397 30.5258 6.7544 19.5227 6.5645 13.3689 2.2855 17.7997 7.8931 6.6634 8.6597 16.2898 6.8293 2.9086 26.8439 24.8539 14.3666 8.6265 3.8908 132.8886 25.2787 4.0295 479.3523 20.6037 70.0822 5.6166 13.2948 104.6661 97.0165 108.6292 81.0341 45.1494 145.7499 67.2977 38.4431 44.1228 45.5732 14.2338 58.8632 81.0315 48.3758 101.6941 44.1419 64.7295 153.1048 49.6225 26.9111 28.4862 36.9328 46.1309 114.8750 105.8869 123.8266 110.2787 50.7385 0.7469 0.7499 0.7490 0.7500 0.7479 0.7360 0.7019 0.7345 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1552.97 1574.68 1580.59 1591.39 1599.32 1599.59 1644.32 1650.98 1655.55 1659.31 1668.28 1687.15 1699.32 1711.81 1737.82 1751.92 1756.43 1757.15 1801.64 1816.96 1848.36 1860.96 1862.61 1867.91 1877.06 1882.59 1890.92 1899.85 1926.65 1953.58 1991.51 2001.00 2074.05 2077.09 2078.65 2083.04 2093.07 2104.10 2122.74 2125.50 2137.86 2164.00 2189.88 2206.92 2218.46 2226.08 2233.47 2241.54 2259.20 2287.81 2290.35 2295.44 2308.86 2316.01 2323.88 2332.28 2334.71 2340.57 2345.97 2346.94 2351.31 2356.69 2357.04 2371.99 2373.92 2375.92 2379.81 2385.04 2391.95 2440.58 2517.79 2557.21 2588.92 2611.09 2650.96 2658.68 2839.13 4515.18 4525.68 4586.88 4628.25 4649.68 4670.66 4690.40 4701.78 4711.63 4722.78 4724.48 4736.33 4739.75 4753.37 4780.79 4800.29 4806.70 4808.70 4808.87 4824.58 4862.85 4868.29 4878.07 4888.52 4902.17 4914.89 5094.03 5518.42 5706.09 0.555079 0.585335 0.586279 0.485757 -1869.031085 -1869.000829 -1868.999884 -1869.100407 3.371558D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE Cn1c(nn(c1=S)C[NH+]2CCN(CC2)Cc3nc(no3)c4ccc(cc4)OC)CCC(=O)N C22934643 RHF 6-31G(d) (6D,10F) C1 473.208334 |X|Y|Z| 175.553664 63.527191 28.917197 68.576489 24 6 7 8 16 7 1 |36.858105| |13.025582|53.358707| |7.508725|18.798329|36.858105| |5.296905|11.834103|14.934883|53.358707| |5.376576|12.254295|9.103687|18.910079|53.358707| |7.623202|19.263886|8.643538|11.491418|19.331317|36.858105| |5.788292|9.416745|4.932399|6.683450|9.620326|11.318933|388.023441| |3.901602|7.404995|5.532148|10.668144|18.225953|7.736283|42.699643|36.858105| |3.453034|6.095568|4.341371|7.456772|10.775965|6.151220|41.133624|12.741498|53.358707| |3.757967|6.514383|4.300861|6.885415|10.299777|6.968905|54.247270|9.488477|25.482622|0.500000| |3.262718|5.647359|4.235970|7.183707|8.742373|5.108353|32.170006|7.606169|17.298211|0.256692|36.858105| |2.777756|4.494119|3.257415|5.109144|5.969023|3.918642|27.410702|4.969124|10.471603|0.196260|12.525426|36.858105| |2.393170|3.810464|2.772298|4.357096|5.058838|3.314944|23.944144|4.488215|9.095416|0.164633|7.861051|13.171399|53.358707| |2.460035|3.922668|2.784571|4.376533|5.320795|3.534988|26.957454|4.999481|10.481594|0.197033|6.653075|7.989870|17.889549|36.858105| |2.762879|4.590161|3.299140|5.434496|6.957679|4.309164|31.407019|7.704032|17.271963|0.258068|7.693937|6.641498|10.681314|12.544623|36.858105| |2.075750|3.200027|2.319746|3.532588|3.969747|2.695747|19.804359|3.345000|6.066250|0.117466|5.083936|7.817448|17.796029|7.816959|5.082900|36.858105| |1.831182|2.807237|2.065286|3.150485|3.462839|2.329852|16.893852|2.940502|4.997498|0.094616|4.013239|5.178700|10.605424|6.002499|4.376373|12.708477|36.858105| |1.670922|2.535705|1.882368|2.843643|3.052416|2.062492|14.765291|2.530157|4.127030|0.078558|3.366740|4.160103|7.346973|4.310484|3.447612|7.682594|14.982975|53.358707| |1.550318|2.346477|1.747641|2.641279|2.821803|1.903282|13.625431|2.356216|3.729936|0.070739|2.924449|3.395421|5.905789|3.812373|3.188952|5.372922|9.216590|18.769704|36.858105| |1.596420|2.428805|1.801275|2.741112|2.966870|1.993438|14.395738|2.531511|4.012940|0.075682|3.025949|3.438931|6.223501|4.318563|3.600862|5.306177|8.813307|11.638866|14.833353|53.358707| |1.786726|2.744573|2.017096|3.093805|3.425295|2.294712|16.763129|2.979739|4.960625|0.093169|3.719715|4.419222|8.969321|6.222663|4.665068|7.858843|14.560071|11.990030|9.066519|18.720183|73.516695| |1.397529|2.095421|1.568540|2.348203|2.468832|1.674772|11.909731|2.024988|3.113021|0.059461|2.438311|2.747112|4.478140|2.951972|2.583718|3.879483|5.474154|10.366586|12.992933|10.680095|9.588331|36.858105| |1.307855|1.954290|1.464123|2.187012|2.292017|1.557361|11.082572|1.880937|2.833341|0.054207|2.169249|2.374188|3.818411|2.623838|2.362486|3.156445|4.190096|6.885348|7.643486|8.937129|7.981106|13.613885|36.858105| |1.203519|1.785604|1.340517|1.986870|2.062707|1.409095|9.992330|1.670386|2.480411|0.047740|1.901692|2.057466|3.209611|2.212318|2.026823|2.615911|3.275378|5.285145|5.080358|6.071199|6.044762|7.918761|13.896964|36.858105| |1.172910|1.732874|1.302641|1.920035|1.980883|1.358185|9.597201|1.585506|2.354801|0.045508|1.831176|1.992118|3.046756|2.063933|1.888562|2.504905|3.057244|5.053721|4.479946|5.100301|5.377630|6.837455|7.933832|13.620653|36.858105| |1.235100|1.827129|1.373164|2.024224|2.089378|1.432415|10.108365|1.667007|2.504822|0.048423|1.981673|2.193873|3.345965|2.209256|1.993289|2.817697|3.454936|6.028525|5.075723|5.359872|5.786220|7.894567|6.861507|7.907093|13.731245|36.858105| |1.350129|2.011554|1.508758|2.240148|2.332306|1.591242|11.257919|1.879468|2.875685|0.055318|2.294804|2.596775|4.066036|2.625924|2.315436|3.543069|4.610248|8.898561|7.705852|7.082226|7.449550|13.764092|7.948475|6.890514|7.946326|13.732423|36.858105| |1.086897|1.596728|1.201080|1.759827|1.805518|1.243378|8.774103|1.433583|2.105389|0.040865|1.629489|1.752435|2.635592|1.803832|1.672089|2.132309|2.517188|4.015989|3.409891|4.066035|4.445055|4.622970|5.318845|8.225814|14.241847|7.893180|5.215034|73.516695| |1.049057|1.533979|1.154342|1.681706|1.716959|1.187275|8.360137|1.350177|1.978712|0.038567|1.542085|1.659221|2.454613|1.669288|1.550389|1.985155|2.286744|3.635017|2.943233|3.497802|3.955352|3.785424|3.989068|5.255215|8.012154|6.718473|4.513414|24.127001|36.858105| |6.236594|10.281258|12.742640|10.485799|7.283463|5.241690|25.882073|3.927607|4.470471|0.089922|3.330249|2.703584|3.186109|2.313585|2.651856|2.018179|1.825885|2.306106|1.581360|2.197750|3.159962|1.440411|1.350417|1.248834|1.221130|1.285269|1.398245|2.015915|1.096251|36.858105| |4.178196|6.776801|7.548608|9.007836|6.144691|4.051538|21.245165|3.625547|4.135948|0.080386|3.150217|2.562396|3.074940|2.204034|2.527795|1.957336|1.803023|2.300551|1.588619|2.200526|3.127314|1.458054|1.371704|1.273185|1.246122|1.308636|1.417715|2.061425|1.121323|12.489316|36.858105| |3.508387|5.171306|4.950857|5.921411|4.550157|3.148231|17.608248|2.812725|3.346010|0.065872|2.564089|2.176293|2.642763|1.885801|2.108248|1.722228|1.600700|2.067994|1.433515|1.971820|2.769884|1.331546|1.257532|1.177853|1.159550|1.215826|1.305114|1.931761|1.057061|7.633061|12.509786|36.858105| |3.641075|5.049488|4.544316|5.200596|4.177398|3.013035|17.190458|2.568663|3.115683|0.062406|2.384147|2.061758|2.494256|1.782109|1.965948|1.640732|1.517471|1.963166|1.357060|1.861826|2.616626|1.262631|1.191381|1.118476|1.104342|1.159444|1.242191|1.843601|1.012083|7.029287|8.002655|15.893757|73.516695| |2.835835|4.186645|3.857945|4.954259|3.929877|2.673763|15.400863|2.537089|3.043386|0.059288|2.335801|2.006478|2.478498|1.763636|1.963565|1.628390|1.535028|1.999419|1.396768|1.917799|2.666002|1.308029|1.241769|1.168919|1.151740|1.203119|1.283965|1.926063|1.054861|5.120949|7.854206|14.144250|15.119640|53.358707| |17.627613|12.379324|6.493643|6.443200|6.360413|6.118865|34.965703|3.544145|4.179275|0.091232|2.860717|2.453793|2.948812|2.246373|2.535269|1.893590|1.695518|2.115361|1.456087|2.047503|2.967969|1.320288|1.244433|1.149198|1.117923|1.170885|1.273438|1.848453|1.003058|5.936505|4.088765|3.515824|6.521845|3.888283|0.500000| |17.691054|12.539524|5.656036|6.111898|6.725463|7.344922|48.610927|3.769936|4.732887|0.109011|3.231192|2.826605|3.320600|2.538546|2.806200|2.127768|1.860726|2.298889|1.562948|2.194950|3.226666|1.403835|1.311941|1.204988|1.173414|1.236571|1.354498|1.930815|1.047692|4.666544|3.420065|2.938601|5.401777|3.336544|0.300194|0.500000| |17.647944|12.422552|6.843441|6.564176|6.274957|5.867425|32.837711|3.448917|4.279081|0.093590|3.107486|2.686085|3.119860|2.304157|2.537717|2.012164|1.775678|2.225294|1.510521|2.098042|3.050743|1.368890|1.277489|1.180192|1.156721|1.222090|1.332432|1.909231|1.041189|6.597649|4.336835|3.774586|7.248729|4.062784|0.299113|0.300077|0.500000| |3.712873|6.699151|4.744490|8.232533|12.553916|6.970059|44.306321|17.654567|12.465273|0.226793|5.600556|4.181912|5.452302|4.760333|7.372057|3.086982|2.765367|3.236522|2.252417|3.343279|5.109777|1.942789|1.826384|1.623521|1.530842|1.595710|1.790259|2.468386|1.303458|3.505812|3.221592|2.565666|4.205513|3.176766|0.096565|0.101728|0.089296|0.500000| |3.428587|6.307985|5.162482|10.489033|12.724678|5.764736|32.067343|17.689257|12.293746|0.182381|7.024961|4.625990|5.870572|4.579862|6.846374|3.248925|2.949196|3.499177|2.419050|3.533390|5.342456|2.090618|1.948959|1.731418|1.640245|1.720072|1.936318|2.635398|1.392997|3.869585|3.806607|2.924504|4.638997|3.663088|0.088314|0.090037|0.086578|0.297846|0.500000| |2.952814|5.076463|4.023832|7.053181|7.800068|4.377350|26.807111|7.026290|12.415716|0.180892|17.626298|8.850980|9.664604|5.841537|6.990786|4.793909|4.067990|4.740397|3.067727|4.310117|6.775584|2.568446|2.288045|2.002064|1.923184|2.077907|2.408201|3.034615|1.609862|3.263585|3.235617|2.625557|4.260992|3.315874|0.073501|0.079595|0.078788|0.144922|0.214055|0.500000| |3.790462|6.741282|5.089520|8.471320|9.958084|5.927414|34.477955|7.041606|12.361632|0.224413|17.653188|8.800419|7.692622|4.980460|5.615136|4.162369|3.352739|3.970962|2.550602|3.539402|5.504076|2.180968|1.953323|1.738203|1.689899|1.828408|2.087492|2.699315|1.449772|3.899623|3.578404|2.866857|4.765306|3.472309|0.089626|0.102820|0.101811|0.143598|0.176178|0.299689|0.500000| |2.600179|4.136620|3.068021|4.735424|5.215021|3.443144|23.419868|4.135703|7.642398|0.144020|9.021123|17.609179|12.475118|5.731203|4.963859|7.278708|5.059395|5.893112|3.429680|4.531303|7.303414|2.820982|2.400434|2.096328|2.061417|2.305821|2.736441|3.220269|1.729434|2.627496|2.531000|2.179177|3.675471|2.750826|0.063967|0.072686|0.071376|0.097290|0.111562|0.217315|0.213021|0.500000| |2.919074|4.620003|3.211949|4.849849|5.785129|4.059741|30.148600|4.579519|9.338841|0.205477|8.843460|17.422171|12.204790|7.107084|5.779425|6.754089|4.481937|4.994234|3.033064|4.185055|6.916933|2.495933|2.177540|1.905715|1.852408|2.033601|2.379147|2.919617|1.563323|2.661015|2.457049|2.105221|3.598013|2.616612|0.070775|0.084591|0.078303|0.110751|0.113102|0.173379|0.214963|0.301687|0.500000| |2.183333|3.423205|2.449457|3.811949|4.498501|3.011823|22.943485|4.162631|7.645046|0.144612|4.968599|5.733941|12.455774|17.656297|9.022914|7.287970|6.664912|6.312521|4.305903|7.117998|14.420605|3.245466|2.912817|2.408953|2.205454|2.336199|2.795444|3.401040|1.748779|2.076660|2.002437|1.734021|2.912764|2.230959|0.056200|0.062413|0.056957|0.114425|0.109966|0.130671|0.109256|0.127753|0.144307|0.500000| |2.544295|3.985376|2.740875|4.189172|5.171124|3.624555|29.559966|4.610539|9.373754|0.207157|5.809289|7.149661|12.246744|17.417367|8.854954|6.770225|5.017943|5.142880|3.335923|5.026387|8.954420|2.654833|2.375573|2.033144|1.912665|2.046644|2.403010|2.998165|1.572194|2.273935|2.124640|1.829460|3.107550|2.310827|0.064160|0.074488|0.065890|0.125327|0.112295|0.134178|0.130602|0.144730|0.212186|0.301609|0.500000| |2.753855|4.513509|3.169907|5.105055|6.617749|4.283151|33.033605|7.172319|12.368305|0.226941|5.618982|4.980462|7.685667|8.816134|17.625675|4.163796|3.718236|4.091608|2.857051|4.441471|7.258044|2.360783|2.202408|1.905040|1.766571|1.842952|2.112794|2.803068|1.460776|2.552398|2.409826|2.021456|3.366385|2.562207|0.071219|0.078474|0.069140|0.229290|0.169800|0.142994|0.126765|0.109236|0.130295|0.212988|0.215488|0.500000| |2.559436|4.252142|3.181437|5.349234|6.427425|3.831607|26.347558|7.100185|12.375019|0.181163|6.964720|5.814085|9.620510|8.850281|17.623607|4.784360|4.450935|4.859623|3.382512|5.257976|8.672534|2.742536|2.523232|2.152556|1.990668|2.090403|2.430899|3.122865|1.618874|2.606465|2.559732|2.133311|3.493863|2.741850|0.066026|0.070839|0.065970|0.183418|0.207235|0.208455|0.142717|0.130265|0.133396|0.217081|0.173403|0.299040|0.500000| |2.052440|3.141802|2.293141|3.456391|3.800851|2.594964|18.730008|3.095268|5.453008|0.106386|4.868356|7.616392|12.434808|5.720306|4.224369|17.648884|9.159891|10.081022|4.921785|6.128006|10.364068|3.760118|3.011295|2.549854|2.507142|2.886221|3.625319|3.806886|2.023951|2.019926|1.964677|1.741234|2.959400|2.240776|0.051776|0.058212|0.055996|0.078214|0.084113|0.128423|0.115735|0.236727|0.184975|0.144696|0.145634|0.097674|0.112334|0.500000| |2.039056|3.096541|2.201913|3.297913|3.745899|2.616098|19.908332|3.114576|5.584837|0.113665|4.396555|6.418078|12.214600|7.349018|4.675330|17.486023|8.970381|8.399979|4.691083|6.470390|12.031722|3.516713|2.932801|2.458913|2.352963|2.619264|3.226433|3.595820|1.888549|1.917380|1.837564|1.626440|2.776497|2.085795|0.051722|0.058830|0.054716|0.081764|0.082135|0.111281|0.103774|0.160146|0.178375|0.196635|0.206395|0.112092|0.117032|0.302465|0.500000| |1.325951|1.986196|1.485160|2.226166|2.346548|1.591484|11.371423|1.945095|2.919676|0.055736|2.194118|2.375905|3.870408|2.735348|2.479919|3.132305|4.151574|6.352802|7.046408|9.969538|8.501876|8.879955|17.737913|8.988358|5.646552|4.947633|5.651859|7.637244|3.334191|1.363469|1.383052|1.262976|2.123413|1.696392|0.035137|0.036977|0.035791|0.052936|0.056018|0.064265|0.054551|0.065579|0.060555|0.086123|0.068413|0.064845|0.074031|0.080879|0.081457|0.500000| |1.148291|1.699093|1.275424|1.886002|1.954539|1.337915|9.493647|1.580571|2.322159|0.044787|1.760998|1.881265|2.913110|2.042610|1.896608|2.331636|2.850918|4.422834|4.118404|5.246155|5.360850|5.624139|8.920063|17.746596|8.941162|5.650686|4.963679|13.533529|4.877378|1.191562|1.216341|1.128392|1.905088|1.528365|0.030585|0.031917|0.031235|0.042948|0.045536|0.051435|0.044900|0.052865|0.048658|0.061826|0.052401|0.050038|0.055968|0.062765|0.061448|0.215015|0.500000| |1.201439|1.769084|1.330237|1.949568|2.001759|1.378180|9.703081|1.580996|2.367152|0.045973|1.885207|2.085254|3.114977|2.047639|1.856130|2.612574|3.086390|5.277722|4.142518|4.499721|5.077285|5.644819|4.950400|5.619110|8.866249|17.771168|8.955390|12.495408|7.432560|1.252519|1.275805|1.192140|2.027221|1.606992|0.031624|0.033392|0.033169|0.041923|0.045220|0.054705|0.048817|0.061471|0.054050|0.059337|0.053165|0.047705|0.053735|0.075752|0.067816|0.107508|0.124021|0.500000| |1.407124|2.096446|1.570746|2.328114|2.424204|1.656967|11.710447|1.941327|3.002090|0.057912|2.441844|2.821833|4.366569|2.737590|2.384435|3.914768|4.967874|10.114507|7.121850|6.552137|7.454134|8.943481|5.649669|4.963353|5.658399|8.947305|17.746303|7.470202|3.910166|1.454561|1.470091|1.352453|2.293441|1.803641|0.036676|0.039253|0.038718|0.050941|0.055308|0.070792|0.061876|0.084343|0.071774|0.079472|0.069901|0.059841|0.068889|0.116038|0.097880|0.124188|0.107745|0.217284|0.500000| |1.047722|1.527666|1.144583|1.662482|1.703037|1.183146|8.372320|1.335897|1.968613|0.038564|1.536118|1.668093|2.463997|1.672603|1.539729|2.016832|2.310723|3.689972|2.939159|3.463571|3.954067|3.736877|3.798603|4.765144|7.041216|6.720788|4.577180|16.433843|17.573312|1.085724|1.105087|1.041914|1.779165|1.409910|0.027778|0.029151|0.028910|0.035826|0.038071|0.044228|0.040177|0.048368|0.043927|0.048605|0.044041|0.040304|0.044324|0.057415|0.053730|0.088324|0.120200|0.222929|0.112962|0.500000| |0.993212|1.447814|1.089443|1.582418|1.612045|1.117339|7.867689|1.263943|1.839383|0.035926|1.424919|1.520938|2.237740|1.535958|1.437656|1.790780|2.038419|3.175030|2.560002|3.117835|3.559806|3.183474|3.421658|4.425132|5.892924|4.903557|3.620146|16.995939|17.660844|1.038215|1.062964|1.005748|1.713611|1.369288|0.026459|0.027538|0.027383|0.034009|0.036216|0.041264|0.037358|0.043844|0.039963|0.044649|0.040334|0.037846|0.041660|0.050506|0.047579|0.082369|0.121819|0.145502|0.089002|0.299942|0.500000| |1.072984|1.571766|1.188200|1.732728|1.759924|1.213011|8.486137|1.380424|2.020005|0.039241|1.587848|1.703823|2.502817|1.685453|1.572280|2.014342|2.307730|3.686512|2.933484|3.455514|3.946271|3.728986|3.788609|4.751345|7.024722|6.715155|4.570349|16.432186|17.571524|1.131491|1.162204|1.097018|1.864563|1.493463|0.028467|0.029682|0.029656|0.036828|0.039713|0.046291|0.041561|0.049729|0.044376|0.048696|0.043937|0.040935|0.045760|0.057574|0.052719|0.088093|0.119848|0.223438|0.112854|0.298610|0.299957|0.500000| |6.508969|9.360830|9.029114|8.144293|6.295063|4.785764|24.791894|3.513829|4.001860|0.081613|2.895162|2.406822|2.889966|2.130542|2.433140|1.849417|1.684760|2.130918|1.471792|2.052951|2.937679|1.346246|1.270008|1.178224|1.150340|1.205024|1.305033|1.906078|1.036555|17.570967|8.849498|6.929006|12.313234|6.548521|0.194963|0.132281|0.185446|0.090724|0.095137|0.078466|0.091610|0.064563|0.066447|0.053649|0.058629|0.066293|0.066189|0.051142|0.049260|0.035711|0.031352|0.032620|0.037559|0.028523|0.027352|0.029639|0.500000| |6.247608|9.177126|9.015580|8.258649|6.323705|4.750141|24.626185|3.503168|4.200232|0.085700|3.224973|2.685521|3.120962|2.234580|2.498317|2.000828|1.797549|2.281870|1.553437|2.141505|3.077944|1.418324|1.323610|1.227044|1.206643|1.275901|1.386835|1.993799|1.089125|17.584397|8.875708|7.118785|13.460966|6.503247|0.155880|0.131653|0.210652|0.086704|0.094738|0.086631|0.106841|0.073594|0.074323|0.055600|0.061504|0.066293|0.067677|0.056264|0.052956|0.036936|0.032448|0.034693|0.040285|0.030047|0.028634|0.031263|0.305928|0.500000| |3.801282|6.323959|6.902557|9.371652|6.311976|3.981891|21.003530|3.808993|4.430034|0.084458|3.515961|2.819371|3.344003|2.348781|2.686037|2.116427|1.945900|2.488095|1.707322|2.351694|3.347548|1.563496|1.461720|1.353515|1.327788|1.401376|1.524054|2.188764|1.190920|8.809542|17.553177|8.936472|11.237543|9.427959|0.099684|0.089120|0.110044|0.091165|0.113910|0.102644|0.112134|0.078478|0.073831|0.058970|0.062200|0.069700|0.076344|0.059436|0.054551|0.040793|0.035768|0.037964|0.044072|0.032572|0.031259|0.034413|0.173192|0.209312|0.500000| |3.843654|6.315271|6.783018|8.937325|6.159648|3.949244|20.898784|3.751752|4.138311|0.079521|3.057771|2.475300|3.032573|2.205024|2.571895|1.922695|1.789806|2.278297|1.588509|2.217767|3.141532|1.458448|1.381254|1.281067|1.246828|1.301619|1.408561|2.063624|1.117861|8.802485|17.562777|8.855707|10.792718|9.821702|0.107786|0.088938|0.105840|0.094296|0.112160|0.088433|0.093599|0.067132|0.065471|0.056088|0.058652|0.068839|0.073211|0.053056|0.050128|0.038890|0.034116|0.035108|0.040318|0.030515|0.029481|0.032130|0.211864|0.173450|0.303960|0.500000| |2.682100|4.052550|3.757352|5.054431|3.994109|2.652411|15.284940|2.630464|3.129363|0.060210|2.397816|2.045696|2.548822|1.813849|2.034555|1.668068|1.583692|2.063700|1.448281|1.993038|2.762522|1.356910|1.291295|1.214533|1.193476|1.243789|1.327671|1.994213|1.089144|4.685689|7.336876|9.230409|10.794949|26.108264|0.074857|0.065028|0.076893|0.067122|0.079105|0.070586|0.071835|0.057162|0.053881|0.046988|0.048090|0.054070|0.058669|0.046681|0.043379|0.036063|0.032435|0.033816|0.037945|0.029616|0.028848|0.031501|0.120656|0.117624|0.193373|0.211878|0.500000| 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