Version2.1 2020-12-02T09:56:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[C@]1(C(=O)N(C(=O)N1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)c4ccccc4 C60386549 RHF 6-31G(d) (6D,7F) CCCC[C@]1(C(=O)N(C(=O)N1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)c4ccccc4 C01[X(C24H28N4O4S1)] 177 C1 555 CCCC[C@@]1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCCC2)c1ccccc1 CCCC[C@@]1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCCC2)c1ccccc1 CCCC[C@@]1(NC(=O)N(CC(=O)Nc2sc3CCCCc3c2C(N)=O)C1=O)c4ccccc4 InChIKey=CFRHDBQRLMKYPE-XMMPIXPASA-N InChI=1S/C24H28N4O4S/c1-2-3-13-24(15-9-5-4-6-10-15)22(31)28(23(32)27-24)14-18(29)26-21-19(20(25)30)16-11-7-8-12-17(16)33-21/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H2,25,30)(H,26,29)(H,27,32)/t24-/m1/s1 InChI=1/C24H28N4O4S/c1-2-3-13-24(15-9-5-4-6-10-15)22(31)28(23(32)27-24)14-18(29)26-21-19(20(25)30)16-11-7-8-12-17(16)33-21/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H2,25,30)(H,26,29)(H,27,32)/t24-/m1/s1/f/h26-27H,25H2 CCCC[C@]1(C(=O)N(C(=O)N1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)c4ccccc4 C01[X(C24H28N4O4S1)] 177 C01 555 CCCC[C@@]1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)N)CCCC2)c1ccccc1 CCCC[C@@]1(NC(=O)N(C1=O)CC(=O)N[C]1SC2=[C]([C]1C(=O)N)CCCC2)[C]1[CH][CH][CH][CH][CH]1 CCCC[C@@]1(NC(=O)N(CC(=O)N[C]2SC3=C(CCCC3)[C]2C(N)=O)C1=O)[C]4[CH][CH][CH][CH][CH]4 InChIKey=CFRHDBQRLMKYPE-XMMPIXPASA-N InChI=1S/C24H28N4O4S/c1-2-3-13-24(15-9-5-4-6-10-15)22(31)28(23(32)27-24)14-18(29)26-21-19(20(25)30)16-11-7-8-12-17(16)33-21/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H2,25,30)(H,26,29)(H,27,32)/t24-/m1/s1 InChI=1/C24H28N4O4S/c1-2-3-13-24(15-9-5-4-6-10-15)22(31)28(23(32)27-24)14-18(29)26-21-19(20(25)30)16-11-7-8-12-17(16)33-21/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H2,25,30)(H,26,29)(H,27,32)/t24-/m1/s1/f/h26-27H,25H2 3535.6732924913 -1840.0164185 1-A 22264.9456 124 431 555 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4.9880 5.3045 6.3505 4.9881 4.6610 6.1557 4.6405 2.8759 2.1293 1.4088 1.2091 3.1982 3.7975 3.8245 3.9959 1.8804 1.5487 5.0352 5.8891 3.5683 1.4296 3.7838 3.0265 1.2461 2.4280 1.5219 1.5257 2.4598 2.1651 1.5933 3.6405 3.4405 5.4474 5.1222 1.3660 3.2456 1.4062 3.0692 2.2558 2.1359 1.9129 1.9393 1.8126 2.5533 1.8371 1.8131 2.2300 3.5257 2.4630 1.1581 2.2985 3.3555 1.1783 2.4741 1.4136 2.5740 1.8883 1.6666 1.8826 1.3298 1.8502 2.3279 1.3523 1.8740 1.2159 1.1268 1.3437 1.5748 1.9048 1.9101 1.4213 1.6069 1.5579 1.8463 2.5643 1.7956 1.3272 1.5831 1.3458 3.7134 2.2831 4.0886 1.1182 1.1125 1.0701 1.0888 1.0825 1.0967 1.0416 1.0960 1.1079 2.1002 2.2555 5.4422 5.4013 1.3738 5.1596 5.5560 10.0671 11.3204 11.1286 1.0739 1.0606 1.0664 1.0387 1.0701 1.0631 1.0776 1.0809 1.0788 1.0956 1.0973 1.1028 1.0932 1.0987 1.1018 1.1008 1.0608 1.0995 1.1067 1.0870 1.0917 1.0964 1.0930 1.0945 1.0800 1.0499 1.0800 1.1012 0.0003 0.0006 0.0013 0.0040 0.0065 0.0079 0.0032 0.0071 0.0112 0.0131 0.0270 0.0379 0.0493 0.0388 0.0370 0.0409 0.0544 0.1285 0.1181 0.1027 0.1684 0.0590 0.1262 0.0706 0.1417 0.2677 0.2742 0.1514 0.1294 0.3717 0.3208 0.5675 0.3755 0.5909 0.2616 0.1974 0.3615 0.1964 0.3721 0.3926 0.3077 0.5485 0.7286 0.6064 0.3121 0.5229 0.7249 0.8842 1.1960 1.3588 1.7234 1.4252 1.3978 1.8645 1.4395 0.9388 0.7583 0.5118 0.4452 1.1962 1.4590 1.5127 1.6784 0.8150 0.6902 2.2895 2.7149 1.7459 0.7175 1.9523 1.6189 0.6780 1.4245 0.9126 0.9206 1.5620 1.3791 1.0280 2.3664 2.3980 3.8148 3.6366 0.9893 2.3938 1.0563 2.3067 1.7150 1.6479 1.5303 1.5578 1.5146 2.2127 1.5944 1.5835 1.9550 3.2015 2.2629 1.0931 2.2461 3.3445 1.1943 2.5306 1.4559 2.6939 2.0003 1.8280 2.1279 1.5243 2.1646 2.7582 1.6160 2.2778 1.5155 1.4458 1.7403 2.1029 2.5485 2.5598 1.9102 2.1887 2.1574 2.6103 3.6537 2.5804 1.9193 2.3057 2.0226 5.6614 3.4991 6.3075 1.7452 1.7440 1.6860 1.7216 1.7208 1.7453 1.6579 1.7714 1.7919 3.4584 4.0687 10.2001 10.1246 2.6225 9.9582 11.8358 23.2920 26.3924 27.4811 6.3067 6.3402 6.4053 6.2670 6.4590 6.4285 6.5349 6.5583 6.5805 6.7424 6.8070 6.8632 6.8380 6.8738 6.9072 6.9297 6.6828 6.9826 7.2082 7.2205 7.3035 7.3998 7.4703 7.4884 8.9807 9.1223 9.6588 10.2637 0.8643 0.1363 0.5720 0.0756 0.5519 0.7337 0.1143 0.7636 0.3806 2.3283 2.3504 2.5259 5.0904 2.6761 0.5423 1.1081 3.7537 0.6995 1.0043 0.9544 16.1439 2.5789 7.9634 2.8994 1.3825 5.4438 12.3189 6.0796 0.9077 13.7367 4.5349 2.0843 3.5298 5.6067 88.3963 149.7036 51.6383 92.7785 22.1985 6.4288 108.4184 3.1895 21.8102 16.4838 21.1065 29.4053 10.9558 10.5259 14.3505 2.6255 0.7346 12.3985 14.4005 20.1325 40.7204 3.7876 26.4097 37.1829 5.3255 21.5343 40.5027 9.7591 19.9882 5.6948 11.0876 57.4867 61.8424 15.4690 2.3303 11.5275 1.4963 0.1850 2.2023 5.7970 0.2553 6.6363 0.4903 14.7163 1.6254 11.9580 1.9643 29.9574 0.0960 1.8553 0.0786 5.0770 2.0730 2.5593 1.4853 24.2677 0.8319 1.6078 3.8271 8.1446 3.3917 12.2198 7.3193 1.5545 17.6365 41.9625 9.5141 158.7724 2.8620 4.0809 5.4661 28.4835 67.9073 41.4900 45.5671 347.2832 1.8536 190.4383 6.0055 4.4831 3.7006 15.3445 60.7449 52.7288 12.4821 13.0356 10.1387 24.7551 101.1747 10.6636 18.5591 16.9772 69.9407 109.2703 43.3763 580.0235 14.8212 6.0853 10.6154 4.1466 7.2713 1.9687 4.1162 11.8318 1.4757 18.0675 962.8277 59.6389 54.3667 148.3715 3.2567 371.0904 241.2997 954.3329 136.9640 52.1950 34.0594 28.1979 29.8018 24.3694 31.3160 50.6476 1.3990 31.8045 37.6971 86.3189 59.8334 34.1442 26.4023 42.1935 58.6368 13.4181 46.7418 0.1527 0.1687 19.7429 43.9303 13.3954 0.6972 208.0624 67.0036 69.9358 62.1252 1.6914 2.4957 0.9997 5.9563 0.8434 0.8906 0.2257 0.3325 3.1001 1.3271 1.0731 0.5000 0.3816 0.2269 1.2686 0.3270 1.4945 0.4969 1.0772 1.0347 1.1955 0.2265 0.5254 0.9510 3.5885 2.2371 0.5504 0.5274 0.4127 0.5501 0.6985 0.9617 1.1520 0.7826 0.5182 5.2534 2.2499 0.9197 0.2990 0.1902 0.9313 5.6947 1.3337 1.7212 1.4802 6.6579 5.8096 3.3394 1.2775 4.0361 5.2670 5.6093 4.7997 5.2802 1.4291 1.6795 0.6535 1.5118 0.5810 3.5029 9.3322 5.8540 0.5161 0.9202 0.9007 1.7824 1.1227 0.9457 0.7909 8.1442 6.8508 2.0694 7.4488 0.8026 0.7428 3.7991 8.2170 3.5922 6.4499 7.6889 25.7085 6.9423 0.1641 2.8429 0.8180 3.6828 19.8574 7.7308 4.5348 2.5505 0.0648 5.5243 1.5142 4.9881 9.9400 8.6354 11.0762 2.7159 2.0237 1.3680 4.7409 1.6318 6.1094 2.9518 3.1455 2.3655 13.4464 5.1422 2.8786 7.3243 1.1903 14.8901 4.5151 16.3515 2.8870 11.8216 38.8670 9.5367 1.7463 6.9644 2.6662 37.2172 27.3012 4.4132 2.0572 1.2028 14.4534 75.5854 9.8751 32.4842 7.8245 20.5299 38.8730 19.8909 2.5388 7.2468 18.5615 1.0856 4.6871 0.7057 36.2649 21.4921 9.6795 10.5220 37.3172 9.0681 37.6236 2.0879 13.2445 94.1540 43.9598 88.5553 103.1877 108.2728 68.6455 98.5833 115.3996 82.2348 88.2285 215.6144 101.4955 69.5654 17.8256 88.1317 75.5514 59.3709 14.5545 32.8530 53.8386 117.0815 182.2577 33.9886 135.2187 68.6011 127.2545 53.6041 43.2675 0.7483 0.7499 0.7498 0.7486 0.7346 0.6701 0.6203 0.7491 0.7476 0.6846 0.7421 0.7329 0.7098 0.7352 0.7400 0.7339 0.6827 0.3546 0.4270 0.6543 0.1655 0.4001 0.7467 0.2695 0.2803 0.3822 0.1715 0.6747 0.3729 0.3440 0.4392 0.5225 0.5152 0.7319 0.4209 0.5064 0.3388 0.4694 0.6480 0.6992 0.3502 0.5914 0.5733 0.7438 0.7434 0.5292 0.6291 0.0619 0.7140 0.1881 0.7420 0.1685 0.1176 0.2526 0.7478 0.7488 0.4407 0.5538 0.6594 0.4235 0.0496 0.2487 0.7169 0.7499 0.3693 0.7259 0.4751 0.1476 0.6041 0.0840 0.3518 0.7383 0.2933 0.4426 0.7403 0.2331 0.7497 0.1549 0.3027 0.2667 0.1224 0.1472 0.4053 0.1001 0.1793 0.7454 0.3354 0.7065 0.6146 0.5889 0.7283 0.7499 0.4173 0.4552 0.1501 0.4143 0.1912 0.7046 0.2928 0.6430 0.7345 0.6545 0.4373 0.5175 0.2953 0.7345 0.7100 0.7361 0.6637 0.5932 0.4560 0.7371 0.6833 0.7418 0.7500 0.3334 0.4311 0.7467 0.3069 0.6494 0.5252 0.2232 0.7439 0.6803 0.7332 0.1812 0.4104 0.1168 0.1360 0.2019 0.7498 0.7462 0.7456 0.7352 0.7376 0.6270 0.7446 0.7493 0.4015 0.5711 0.3338 0.6604 0.5262 0.5456 0.5665 0.2401 0.3080 0.1014 0.2391 0.2344 0.2874 0.1861 0.0256 0.2480 0.2890 0.5615 0.1282 0.2516 0.3826 0.2707 0.7391 0.3029 0.7383 0.6054 0.7495 0.0424 0.1282 0.7295 0.6930 0.7460 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0.8536 0.8567 0.5730 0.7270 0.5005 0.7955 0.6896 0.7060 0.7233 0.3873 0.4710 0.1841 0.3859 0.3798 0.4465 0.3138 0.0500 0.3974 0.4484 0.7192 0.2273 0.4020 0.5535 0.4260 0.8500 0.4650 0.8494 0.7542 0.8568 0.0813 0.2273 0.8436 0.8186 0.8545 0.3043 0.3099 0.2169 0.2304 0.2937 0.3984 0.8566 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 6 6 6 6 6 6 8 7 6 8 7 6 6 8 7 6 6 6 6 16 6 6 6 6 6 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7228.9011 34159.8592 38509.7072 1.00000 -0.00177 -0.00009 0.00177 1.00000 0.00096 0.00009 -0.00096 1.00000 1 0.01198 0.00254 0.00225 0.24966 0.05283 0.04686 13.75 20.67 29.75 60.24 65.03 67.98 76.45 88.29 95.01 99.55 126.24 140.29 160.12 169.92 201.77 206.17 214.47 273.82 281.84 293.38 339.52 348.50 379.99 386.24 393.88 409.78 414.08 432.38 490.03 494.35 517.95 531.40 551.35 562.80 574.42 594.53 604.73 625.87 651.34 657.03 677.89 725.04 794.12 815.08 837.89 868.82 889.25 898.29 917.83 948.70 976.47 1001.94 1026.50 1031.59 1043.98 1070.97 1118.63 1129.81 1137.40 1146.33 1161.85 1178.86 1214.80 1234.01 1251.31 1263.94 1272.67 1311.13 1327.87 1346.41 1370.93 1382.58 1435.76 1451.54 1456.03 1493.70 1495.98 1505.58 1511.22 1564.88 1568.58 1579.40 1595.20 1609.78 1624.61 1624.98 1634.36 1646.43 1676.52 1679.99 1713.44 1744.92 1746.18 1751.72 1755.06 1786.16 1796.68 1821.07 1852.91 1871.35 1887.10 1895.68 1902.29 1917.59 1929.20 1963.08 1992.78 2006.84 2027.44 2040.34 2049.07 2066.55 2092.72 2123.22 2133.20 2166.07 2168.13 2169.95 2173.03 2187.56 2205.76 2228.77 2237.41 2247.03 2254.11 2262.12 2297.92 2314.45 2320.53 2328.15 2341.67 2346.86 2352.78 2357.07 2363.30 2364.59 2364.77 2382.99 2383.85 2405.35 2517.56 2566.16 2566.31 2589.80 2604.05 2735.81 2851.15 2862.05 2945.55 4542.42 4582.96 4593.90 4604.25 4605.11 4609.22 4615.91 4617.10 4629.48 4650.07 4668.52 4676.07 4687.91 4688.32 4693.22 4702.93 4704.64 4723.77 4783.81 4830.91 4848.25 4869.58 4900.41 4902.82 5405.26 5525.26 5605.55 5722.41 0.537553 0.567150 0.568094 0.472661 -1839.478866 -1839.449268 -1839.448324 -1839.543757 3.200839D-04 MUNgauss RevisionA2.0 retrievium 02-Dec-2020 DUDE CCCC[C@]1(C(=O)N(C(=O)N1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)c4ccccc4 C60386549 RHF 6-31G(d) (6D,10F) C1 468.183127 |X|Y|Z| 58.561883 30.877864 133.723597 62.300297 23 6 7 16 19 3 1 |36.858105| |12.466857|36.858105| |7.484969|12.443832|36.858105| |4.880650|7.516255|12.445397|36.858105| |3.699703|4.825957|7.312574|12.334836|36.858105| |3.493340|4.253926|6.173849|7.499380|12.402388|36.858105| |3.331506|4.006558|5.309847|6.205596|7.790974|16.018834|73.516695| |3.236358|3.691810|5.205316|5.492953|8.147999|13.927703|14.871234|53.358707| |3.287399|3.735109|5.315708|5.526793|8.096032|8.332227|9.885016|18.653568|36.858105| |2.999277|3.245404|4.315555|4.236119|5.430333|5.566715|7.511890|11.307170|15.987972|73.516695| |3.519126|4.274024|6.312343|7.648218|13.117666|8.315007|9.800749|11.799355|14.066910|14.765637|53.358707| |2.895243|3.127513|4.076235|4.026393|5.107483|7.699464|11.772331|18.099390|7.689480|11.835999|7.261835|36.858105| |3.232791|3.316729|4.219696|3.781033|4.278831|5.845922|9.668973|10.588654|5.881384|9.830408|6.038476|12.498045|36.858105| |4.019034|4.028174|5.244608|4.284129|4.524829|5.842443|9.524922|9.504640|5.804405|9.464351|6.327366|7.955451|15.950562|73.516695| |2.744886|2.740873|3.279041|2.985809|3.300053|4.235842|7.398444|7.097385|4.293496|7.635226|4.641208|7.919576|14.012508|15.007347|53.358707| |2.685483|2.581751|2.956741|2.629861|2.780451|3.383665|6.012239|5.308976|3.418530|6.161975|3.885194|5.090250|7.790214|11.881964|18.795268|36.858105| |2.276257|2.184747|2.439216|2.216079|2.337847|2.769678|4.962665|4.260253|2.810531|5.131550|3.264941|3.946631|5.140298|8.034972|10.635463|13.926026|36.858105| |2.227971|2.087556|2.262966|2.031356|2.087166|2.405093|4.326122|3.590528|2.425352|4.413705|2.898034|3.139308|3.988085|6.778446|7.065634|8.139627|13.043397|36.858105| |2.546371|2.323638|2.487885|2.174918|2.186058|2.498135|4.484399|3.680264|2.503949|4.517554|3.023504|3.130228|4.110467|7.483283|6.765734|7.697280|8.181011|14.197406|36.858105| |3.181865|2.898881|3.206983|2.710557|2.719954|3.185618|5.660210|4.756958|3.177997|5.651068|3.763793|4.090545|6.063664|11.972460|9.489972|11.018066|7.385044|7.401491|10.953327|388.023441| |2.467313|2.201270|2.279751|1.986832|1.955742|2.176927|3.913906|3.134182|2.172032|3.904291|2.690640|2.563165|3.208795|6.022394|4.915454|4.824637|5.026468|7.483694|12.649497|47.997994|36.858105| |2.065680|1.872530|1.935609|1.723229|1.711949|1.888375|3.390403|2.723627|1.902885|3.450260|2.365571|2.224564|2.676746|4.872825|4.137818|3.896650|4.408836|6.627335|7.645873|32.809616|12.445653|36.858105| |1.890838|1.752968|1.830470|1.658851|1.669662|1.863649|3.379641|2.690067|1.853245|3.348342|2.293454|2.233579|2.648188|4.668130|4.217350|3.965865|4.870983|7.558492|6.803033|29.968076|7.579863|12.469624|36.858105| |1.915700|1.800322|1.920516|1.750280|1.793385|2.029941|3.663020|2.988979|2.044586|3.726824|2.484065|2.551853|3.051535|5.202364|5.122747|5.016216|7.157199|12.570061|7.663725|33.639239|6.312897|7.538650|12.435149|36.858105| |1.995914|1.955840|2.193666|2.052295|2.212228|2.617538|4.685230|4.061831|2.679501|4.933884|3.102420|3.814141|4.469421|6.680333|8.916811|7.713674|12.851799|7.192865|5.068821|33.913939|3.692614|3.499536|4.009253|5.789989|36.858105| |1.986093|1.985096|2.261516|2.156728|2.379507|2.870225|5.143454|4.526097|2.917829|5.340819|3.332262|4.430370|4.861437|6.875095|9.709091|6.722608|8.061051|5.118926|4.068840|29.845682|3.099677|2.897224|3.228073|4.258136|15.696800|73.516695| |1.773113|1.729057|1.907569|1.794201|1.917389|2.211035|3.949886|3.374591|2.282523|4.231115|2.694332|3.027667|3.410620|5.326644|6.118863|5.197061|7.817972|6.254791|4.386560|27.144033|3.433427|3.492335|4.175542|6.251744|14.063435|15.256183|53.358707| |2.966696|3.762459|4.838993|7.521752|12.402741|7.574381|10.972249|7.666958|5.532627|7.474006|10.445773|4.052503|3.347821|6.028333|3.737670|2.349286|2.037039|1.829265|1.888701|16.120098|1.707302|1.520460|1.497410|1.603006|1.970900|3.793323|2.361603|36.858105| |2.578701|3.145067|3.867139|5.309486|7.470751|5.292362|7.833854|6.323219|5.003738|7.244608|9.188054|3.522041|2.916159|5.175969|3.347120|2.122239|1.870689|1.684569|1.725391|14.460564|1.567088|1.412183|1.391530|1.491694|1.833700|3.529754|2.224122|13.728364|36.858105| |2.220217|2.653660|3.089373|4.023893|4.976269|4.004070|6.402963|4.866110|3.709445|5.682869|6.162251|2.907902|2.454302|4.320375|2.904568|1.869203|1.676564|1.520640|1.548020|12.720252|1.417148|1.289737|1.277522|1.363676|1.659137|3.190461|2.035790|7.898369|13.727545|36.858105| |2.135245|2.556173|2.898771|3.764210|4.400244|3.753264|6.380955|4.402708|3.187423|4.889350|5.110806|2.707074|2.315598|4.076444|2.769530|1.795649|1.618775|1.474817|1.500842|12.254471|1.379457|1.256800|1.250468|1.328423|1.601929|3.077694|1.969280|6.818836|7.929122|13.783921|36.858105| |2.338754|2.854153|3.245673|4.352875|4.991383|4.362080|7.783779|4.794217|3.313569|4.959103|5.301701|2.929348|2.515713|4.456228|2.979995|1.927397|1.723359|1.569154|1.604619|13.215972|1.472060|1.331190|1.325642|1.405353|1.691584|3.249437|2.063439|7.897706|6.895051|7.970154|13.738859|36.858105| |2.769030|3.494417|4.184676|6.138309|7.504055|6.199464|10.878995|6.156063|4.133731|5.890501|6.875625|3.554875|3.017147|5.408568|3.460456|2.206690|1.934888|1.750104|1.803686|15.190443|1.641452|1.466406|1.453640|1.545842|1.876330|3.607016|2.258759|13.666964|7.964441|6.892765|7.928244|13.776684|36.858105| |17.545821|8.778035|5.459528|4.053709|3.144663|2.969003|5.133298|3.740422|2.779384|4.563492|4.052157|2.497671|2.755775|5.885928|3.275981|2.386670|2.066762|2.051573|2.338365|20.039970|2.317465|1.962948|1.793347|1.793056|1.823545|3.212018|2.230982|2.634487|2.323159|2.042552|1.985331|2.167696|2.512108|0.500000| |17.539152|8.775961|6.775003|4.508726|3.576276|3.330806|5.486086|4.366020|3.388285|5.643790|4.894230|2.871301|3.212783|7.095706|3.722527|2.681344|2.277352|2.229911|2.546895|22.570597|2.467303|2.075978|1.884146|1.917398|1.998755|3.523658|2.425813|2.859700|2.546932|2.182654|2.064714|2.219507|2.605150|0.301563|0.500000| |17.548363|8.781826|6.801504|4.508592|3.589304|3.595242|6.233673|4.578247|3.303298|5.371610|4.623961|3.101116|3.609323|8.239325|4.177936|3.054309|2.548472|2.509870|2.930542|26.835734|2.832722|2.312084|2.103742|2.125687|2.189458|3.842960|2.623834|2.861455|2.468087|2.130327|2.061721|2.273698|2.698095|0.301363|0.301910|0.500000| |8.857310|17.502576|8.838577|6.928616|4.515601|3.764697|6.218339|4.505129|3.463015|5.423471|5.576002|2.790493|2.881742|6.015531|3.297890|2.282652|1.964880|1.881806|2.071837|17.912231|1.977687|1.709645|1.603264|1.644238|1.782803|3.222913|2.167590|3.700916|3.187884|2.713683|2.596087|2.849061|3.413702|0.212607|0.210854|0.172982|0.500000| |8.863141|17.514426|8.853770|6.903480|4.529612|4.146010|7.350518|4.726807|3.365611|5.172428|5.176092|2.992565|3.149361|6.646646|3.594229|2.494897|2.127617|2.038116|2.259760|19.794442|2.148917|1.832566|1.730191|1.767775|1.911184|3.456048|2.302260|3.697736|3.033554|2.612647|2.587619|2.962485|3.624149|0.213118|0.172994|0.210632|0.303846|0.500000| |6.886249|8.869619|17.559919|8.812107|6.710016|6.970279|11.105349|8.030316|5.467815|7.870020|7.864742|4.779268|5.238800|12.447593|5.313404|3.484659|2.789870|2.562675|2.843562|27.183413|2.556890|2.132510|2.021235|2.133306|2.465086|4.515985|2.869264|4.476182|3.553980|2.880113|2.740302|3.101662|3.994088|0.140732|0.168983|0.204954|0.173743|0.212297|0.500000| |6.913759|8.873869|17.532792|8.817618|6.645415|5.507047|8.040957|7.077833|5.927684|8.871504|9.520396|4.072789|4.239730|9.395191|4.487209|2.975824|2.456253|2.276562|2.500965|22.920401|2.287909|1.949842|1.830255|1.929958|2.210916|4.036974|2.625179|4.467983|3.798850|3.009651|2.743772|2.964915|3.707355|0.140890|0.205004|0.170687|0.211312|0.173916|0.304628|0.500000| |4.538871|6.853895|8.821190|17.517448|8.924762|5.509545|8.333450|6.051889|4.779975|6.854847|9.291852|3.384699|3.179451|6.293914|3.529322|2.319795|1.990724|1.842632|1.966486|17.035204|1.819172|1.595057|1.531455|1.607587|1.858110|3.456610|2.239893|7.066867|5.543692|4.248159|3.889953|4.318779|5.702011|0.108627|0.120023|0.111329|0.207619|0.170136|0.173034|0.211550|0.500000| |4.562925|6.952697|8.858848|17.586839|8.913798|6.856602|11.757776|6.530952|4.478049|6.304343|7.641769|3.721730|3.514452|6.959870|3.867190|2.526010|2.147427|1.978545|2.114951|18.522694|1.942692|1.687678|1.634905|1.714867|1.992515|3.723982|2.376368|7.016114|4.817112|3.885502|3.866598|4.763685|6.908497|0.109431|0.111826|0.119955|0.174308|0.210092|0.209821|0.173514|0.304386|0.500000| |3.545275|4.265441|5.975032|6.854314|8.782623|5.877963|7.732297|8.300348|9.365968|13.066428|26.076265|4.297323|3.792881|7.201630|4.112801|2.605183|2.219292|2.000256|2.096918|18.304545|1.891593|1.671334|1.608016|1.729366|2.104582|3.967803|2.520686|6.315650|6.201701|4.319517|3.523089|3.543239|4.378447|0.083833|0.103533|0.092386|0.118657|0.102529|0.142732|0.199689|0.193710|0.139340|0.500000| |2.584581|2.751369|3.486770|3.465044|4.368494|5.766138|8.814587|12.622527|7.218777|12.955129|6.648798|17.620088|8.883971|10.903452|9.797084|4.782128|3.892288|3.062328|2.979629|26.544875|2.443332|2.162588|2.181265|2.524556|3.945463|8.361233|4.302085|3.647214|3.347038|2.802553|2.568880|2.699463|3.171046|0.062695|0.072475|0.075891|0.069692|0.072565|0.108676|0.099862|0.084057|0.088320|0.113343|0.500000| |2.668251|2.902178|3.657890|3.735595|4.671020|7.233983|12.939839|12.633884|5.736738|8.808718|6.129317|17.608260|8.907785|11.080100|9.616527|4.747786|3.831845|3.047256|2.989807|26.818030|2.461369|2.155533|2.203271|2.513826|3.810915|8.114078|4.118737|3.954090|3.395014|2.881347|2.757215|3.036378|3.651168|0.064986|0.072176|0.079584|0.072129|0.079319|0.118546|0.097989|0.087484|0.100231|0.102331|0.300738|0.500000| |2.422866|2.450926|2.905619|2.737188|3.086170|3.940989|6.943232|6.607303|3.998866|7.183671|4.340462|7.564646|9.263005|10.784302|25.877876|9.531574|7.414651|4.783909|4.294953|37.626666|3.213807|2.818004|2.955953|3.657076|7.670026|17.970922|6.831481|2.650863|2.407050|2.113385|2.019142|2.157857|2.470799|0.059793|0.067032|0.073963|0.061111|0.066091|0.093546|0.081002|0.066813|0.072883|0.078512|0.212213|0.205176|0.500000| |2.520701|2.244908|2.291294|1.998808|1.946125|2.168697|3.956153|3.062135|2.100968|3.718537|2.634706|2.479600|3.072583|5.819761|4.607529|4.360940|4.409641|6.020179|8.928269|43.057808|17.510230|8.826577|6.589949|5.279321|3.345910|5.129275|4.207685|1.704910|1.554220|1.409894|1.382497|1.485194|1.656060|0.066412|0.068736|0.081207|0.055741|0.061722|0.071639|0.062880|0.050712|0.054919|0.051323|0.064738|0.067053|0.083941|0.500000| |2.647162|2.307968|2.368258|2.032848|1.980396|2.171334|3.855062|3.128225|2.206471|3.988338|2.747812|2.511113|3.139918|6.061571|4.641615|4.384348|4.322624|5.753246|8.899576|45.589571|17.539419|8.811574|5.526515|4.881548|3.276479|5.012509|4.142749|1.717740|1.580657|1.424330|1.379703|1.467774|1.639841|0.069121|0.074606|0.084513|0.057677|0.061838|0.073218|0.066771|0.051970|0.054765|0.054152|0.066599|0.065967|0.083506|0.303850|0.500000| |1.983676|1.789581|1.822741|1.626307|1.601530|1.748910|3.148779|2.493111|1.749484|3.156255|2.201632|2.005417|2.372834|4.357679|3.579492|3.243937|3.552373|4.866295|5.570036|27.331795|8.840018|17.550359|8.808486|5.489046|2.934811|4.446631|4.006317|1.431335|1.331327|1.221693|1.194474|1.264969|1.387283|0.053029|0.055199|0.061388|0.045602|0.048866|0.055325|0.050826|0.042050|0.044439|0.043412|0.054005|0.054207|0.068077|0.220417|0.206086|0.500000| |2.006041|1.818850|1.889332|1.683273|1.680607|1.840189|3.265904|2.682141|1.898713|3.487177|2.350876|2.186476|2.614038|4.741079|4.033863|3.749989|4.257753|6.112243|6.651485|30.688568|8.845923|17.519455|8.861877|6.949289|3.459019|5.079364|4.795829|1.492829|1.396741|1.274711|1.235127|1.299939|1.429423|0.052824|0.056732|0.061727|0.046428|0.049003|0.057370|0.053479|0.043503|0.045437|0.046386|0.059831|0.058243|0.076715|0.174243|0.220095|0.302995|0.500000| |1.910120|1.777006|1.845843|1.677603|1.680970|1.885719|3.462793|2.687725|1.831535|3.269342|2.280906|2.226516|2.631713|4.650644|4.156810|3.856982|4.590332|6.634714|6.284651|29.382657|6.991996|8.866117|17.522167|8.855563|3.799723|5.582317|5.223452|1.511570|1.396214|1.284606|1.265309|1.349333|1.479746|0.050506|0.052262|0.059338|0.044977|0.049194|0.056864|0.050712|0.042878|0.046324|0.044247|0.059658|0.061785|0.080885|0.197202|0.140586|0.210579|0.173825|0.500000| |1.713556|1.595840|1.659448|1.516904|1.528893|1.691547|3.061160|2.436173|1.690558|3.063557|2.103767|2.005804|2.324444|4.081054|3.652133|3.298740|3.994726|5.529544|4.953938|24.294785|5.505641|8.810026|17.545338|8.856160|3.522221|5.146098|5.220712|1.383935|1.294778|1.195840|1.171449|1.236265|1.345900|0.045438|0.047548|0.052378|0.040875|0.043779|0.050384|0.046180|0.039166|0.041555|0.041150|0.054876|0.055105|0.072283|0.138266|0.123381|0.214555|0.210440|0.303124|0.500000| |1.819223|1.710580|1.827749|1.670738|1.719340|1.925946|3.434439|2.861048|1.987327|3.671995|2.409585|2.428364|2.857626|4.859911|4.740837|4.466249|6.168769|8.865733|6.138648|29.581989|5.320429|6.635262|8.884350|17.467241|5.463664|7.209543|8.777750|1.541825|1.447905|1.325418|1.284594|1.348917|1.477855|0.047334|0.051085|0.055495|0.043724|0.046341|0.055833|0.051529|0.042913|0.045179|0.046883|0.067937|0.065754|0.095186|0.121376|0.123784|0.138993|0.198779|0.174727|0.221593|0.500000| |1.801067|1.715371|1.834298|1.694732|1.748689|1.990955|3.625801|2.918104|1.976144|3.579659|2.405164|2.506864|2.927415|4.894974|4.941587|4.620399|6.639131|8.874597|5.816176|29.157422|4.864378|5.515284|8.849592|17.574277|6.148913|8.066172|9.679814|1.578411|1.469558|1.350823|1.322113|1.399947|1.532554|0.046923|0.049751|0.055228|0.043623|0.047115|0.056520|0.050861|0.043223|0.046406|0.046305|0.069018|0.069908|0.101347|0.122373|0.108537|0.123432|0.140447|0.220162|0.209043|0.303098|0.500000| |1.750361|1.687838|1.844265|1.719931|1.817631|2.067680|3.676709|3.136718|2.154275|4.013032|2.563194|2.753155|3.141025|5.050433|5.469619|4.828916|7.211522|6.811705|4.658781|27.058260|3.719686|3.952838|4.804169|7.683481|9.273387|10.925735|26.149435|1.641588|1.549881|1.419603|1.371593|1.434240|1.567975|0.045132|0.049100|0.052880|0.043266|0.045729|0.056361|0.052032|0.044035|0.046399|0.049360|0.079364|0.075359|0.118595|0.090746|0.091169|0.090928|0.113677|0.116525|0.124166|0.250484|0.230061|0.500000| |1.657577|1.630631|1.801578|1.715627|1.848508|2.120747|3.779053|3.239520|2.201344|4.093945|2.603871|2.888571|3.126439|4.856427|5.426923|4.297841|5.743817|4.716608|3.577037|23.059827|2.911919|2.971880|3.480535|4.787745|9.553495|14.192191|26.028506|1.691964|1.606501|1.479244|1.430252|1.490110|1.619338|0.042661|0.046317|0.049617|0.041988|0.044341|0.054838|0.050645|0.043921|0.046383|0.049761|0.085238|0.080830|0.127019|0.073948|0.073122|0.071355|0.083774|0.090179|0.091506|0.139666|0.150654|0.312291|0.500000| |2.581065|3.088255|3.836623|4.965266|6.919056|4.955836|7.093392|6.450349|5.625421|8.363020|10.615773|3.577716|2.967755|5.270557|3.400918|2.154362|1.897719|1.706489|1.747217|14.660017|1.584373|1.429639|1.402905|1.508938|1.861190|3.574861|2.260845|8.908820|17.760013|8.955084|5.658131|4.967070|5.652908|0.064226|0.072325|0.068363|0.087424|0.080593|0.097305|0.109817|0.146033|0.118942|0.214421|0.097006|0.092734|0.067833|0.043329|0.044609|0.037354|0.039519|0.038858|0.036282|0.040926|0.041112|0.043880|0.045399|0.500000| |2.032043|2.379652|2.726770|3.396022|4.068588|3.376510|5.411489|4.287572|3.346947|5.323551|5.394004|2.630208|2.242363|3.934289|2.691178|1.744549|1.578960|1.436664|1.457269|11.855834|1.338633|1.226418|1.214720|1.296524|1.571458|3.015030|1.943597|5.635494|8.929341|17.713992|8.919460|5.655447|4.962042|0.052268|0.056083|0.054090|0.068083|0.064560|0.070735|0.075277|0.100581|0.090050|0.108708|0.071917|0.071905|0.054663|0.036865|0.037428|0.032308|0.033807|0.033814|0.031712|0.035186|0.035672|0.037740|0.039394|0.216944|0.500000| 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