Version2.4 2021-05-20T03:30:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 06-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)Oc1ccc(cc1Br)C(=O)NC(=S)Nc2ccc(cc2)CC(=O)NC C30835266 RHF 6-31G(d) (6D,7F) CC(C)Oc1ccc(cc1Br)C(=O)NC(=S)Nc2ccc(cc2)CC(=O)NC C01[X(C20H22Br1N3O3S1)] 144 C1 483 CNC(=O)Cc1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)Br)OC(C)C CNC(=O)Cc1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)Br)OC(C)C CNC(=O)Cc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 InChIKey=YMRRTUUJOPMURO-UHFFFAOYSA-N InChI=1S/C20H22BrN3O3S/c1-12(2)27-17-9-6-14(11-16(17)21)19(26)24-20(28)23-15-7-4-13(5-8-15)10-18(25)22-3/h4-9,11-12H,10H2,1-3H3,(H,22,25)(H2,23,24,26,28) InChI=1/C20H22BrN3O3S/c1-12(2)27-17-9-6-14(11-16(17)21)19(26)24-20(28)23-15-7-4-13(5-8-15)10-18(25)22-3/h4-9,11-12H,10H2,1-3H3,(H,22,25)(H2,23,24,26,28)/f/h22-24H CC(C)Oc1ccc(cc1Br)C(=O)NC(=S)Nc2ccc(cc2)CC(=O)NC C01[X(C20H22Br1N3O3S1)] 144 C01 483 CNC(=O)Cc1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)Br)OC(C)C CNC(=O)C[C]1[CH][CH][C]([CH][CH]1)NC(=S)NC(=O)[C]1[CH][CH][C]([C]([CH]1)Br)OC(C)C CNC(=O)C[C]1[CH][CH][C]([CH][CH]1)NC(=S)NC(=O)[C]2[CH][CH][C](OC(C)C)[C](Br)[CH]2 InChIKey=YMRRTUUJOPMURO-UHFFFAOYSA-N InChI=1S/C20H22BrN3O3S/c1-12(2)27-17-9-6-14(11-16(17)21)19(26)24-20(28)23-15-7-4-13(5-8-15)10-18(25)22-3/h4-9,11-12H,10H2,1-3H3,(H,22,25)(H2,23,24,26,28) InChI=1/C20H22BrN3O3S/c1-12(2)27-17-9-6-14(11-16(17)21)19(26)24-20(28)23-15-7-4-13(5-8-15)10-18(25)22-3/h4-9,11-12H,10H2,1-3H3,(H,22,25)(H2,23,24,26,28)/f/h22-24H 2966.9177871305 -4125.5408427 1-A 28348.7561 119 364 483 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.07081 -91.87919 -64.48198 -58.62150 -58.61955 -58.61943 -20.61004 -20.55117 -20.52290 -15.62559 -15.62311 -15.58765 -11.38874 -11.37672 -11.34686 -11.33974 -11.31019 -11.30394 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.08470 0.10911 0.11741 0.13172 0.14560 0.16386 0.19544 0.20506 0.21779 0.21890 0.23956 0.24817 0.25060 0.25641 0.26473 0.26970 0.27712 0.28176 0.28321 0.29295 0.29505 0.29724 0.30977 0.31468 0.32075 0.32932 0.33236 0.33300 0.33748 0.34160 0.34574 0.35628 0.36071 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2.64416 2.65853 2.67256 2.68768 2.69810 2.70842 2.72286 2.74672 2.76079 2.78221 2.81033 2.81202 2.83770 2.84258 2.84951 2.87397 2.90065 2.91152 2.93273 2.95463 2.96450 2.96576 2.98522 2.99931 3.02133 3.02420 3.03555 3.05731 3.07326 3.07554 3.10680 3.12035 3.12784 3.13583 3.15542 3.17294 3.19843 3.23065 3.24564 3.27372 3.28533 3.35991 3.37640 3.38535 3.39454 3.48287 3.51596 3.54478 3.58128 3.63623 3.81120 3.83264 4.37467 4.39964 4.41320 4.45576 4.46478 4.46782 4.51633 4.51798 4.53065 4.54674 4.56213 4.58451 4.60862 4.66283 4.70693 4.71001 4.72565 4.74141 4.75520 4.76546 4.88394 4.91556 4.98306 4.99340 5.02783 5.17827 5.20460 9.28315 74.63800 10.70161 3.8490 5.8953 -1.9083 7.2946 |XX|YY|ZZ|XY|XZ|YZ| -154.8519 -199.4265 -186.2259 -29.8685 -32.6283 10.9725 |XX|YY|ZZ|XY|XZ|YZ| 25.3162 -19.2584 -6.0578 -29.8685 -32.6283 10.9725 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 553.1943 176.3358 22.4609 -12.9767 94.1560 145.9451 66.6270 34.3530 -18.0696 -13.7461 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335.0547 356.1737 385.2267 425.2639 440.1588 441.5216 453.3997 461.1409 464.4115 477.2813 502.4654 520.0005 525.4554 530.7840 572.5601 582.5416 626.4400 653.9119 678.8761 697.1576 708.0711 728.4056 760.3657 773.1158 809.0044 813.3415 839.5466 849.8821 883.3782 898.5487 935.4742 940.1414 943.0256 949.2257 957.5451 989.9525 1016.6577 1024.3658 1033.1951 1037.1057 1062.5616 1079.7089 1086.4774 1104.1372 1116.9332 1119.9334 1155.3970 1162.9173 1193.7633 1198.3636 1241.6892 1242.3535 1257.8076 1258.8148 1264.4052 1295.9177 1298.5957 1305.0191 1307.1288 1316.0789 1319.6716 1328.1555 1365.0866 1374.7605 1416.4163 1422.0585 1440.0976 1450.6459 1457.9864 1485.7928 1506.2609 1530.2655 1547.2942 1567.8449 1576.0970 1577.5947 1604.5603 1626.5502 1631.8387 1633.5529 1635.2246 1639.3312 1654.7521 1655.6148 1672.0458 1679.9313 1696.9454 1714.8553 1726.8416 1753.7574 1784.6574 1798.2442 1822.9650 1952.9931 2013.6058 3214.3598 3220.0468 3220.4973 3236.9532 3243.8630 3280.7732 3287.7959 3288.6967 3289.2349 3292.1632 3299.7890 3331.1410 3359.2322 3368.1260 3393.8114 3398.9725 3403.7301 3407.1652 3424.5584 3835.1516 3862.8579 3893.3473 6.5669 5.0474 4.4582 4.8198 7.9164 5.0366 4.8344 6.0236 7.2576 3.1063 1.3879 2.8329 4.8862 6.9648 6.1944 4.2409 7.5364 4.9509 9.5683 4.4875 1.0896 1.6462 4.1976 2.5460 3.5302 3.7000 6.5370 5.9306 5.2821 3.4817 1.5565 1.9759 2.8797 1.9836 2.6418 3.1571 2.7178 3.1169 3.0939 3.5299 1.3742 3.2279 3.8744 4.2311 4.9807 7.4917 6.3351 4.9211 5.2299 5.2239 5.6298 4.7647 4.1747 4.6557 4.7222 3.9390 2.7755 3.3602 2.8911 1.6075 1.5049 2.3506 2.5322 5.6577 1.2744 1.4264 2.2031 1.4773 3.0284 1.4124 1.3674 1.3792 2.7664 3.0889 3.1590 2.4362 2.8156 1.8968 1.8828 2.3947 1.2809 1.9400 2.0461 1.8461 1.2441 2.5183 1.9027 1.9900 2.1167 3.1850 3.2040 1.6801 1.8256 3.1907 2.8802 1.5878 1.5812 1.3154 1.2552 3.2482 1.3923 2.4410 1.2653 1.1738 1.0522 1.0487 1.0845 1.0837 1.0588 1.0716 1.0897 2.3711 1.8930 2.2848 1.8325 1.7349 6.3381 5.0678 5.3832 5.5279 8.9290 11.0512 1.0365 1.0406 1.0369 1.0631 1.0868 1.1034 1.0997 1.1044 1.1030 1.1035 1.1038 1.1038 1.0909 1.0911 1.0953 1.0924 1.0952 1.0903 1.0946 1.0771 1.0772 1.0790 0.0003 0.0005 0.0006 0.0016 0.0044 0.0039 0.0054 0.0093 0.0171 0.0080 0.0054 0.0138 0.0312 0.0537 0.0726 0.0603 0.1223 0.0957 0.2217 0.1298 0.0336 0.0624 0.1855 0.1270 0.2023 0.2210 0.4000 0.3923 0.3948 0.3044 0.1659 0.2255 0.3308 0.2402 0.3310 0.4012 0.3648 0.4637 0.4929 0.5742 0.2281 0.6235 0.7747 0.9783 1.2548 2.0343 1.8141 1.4537 1.6349 1.7795 1.9826 1.8373 1.6271 1.9334 2.0096 1.8111 1.3203 1.7325 1.5055 0.8423 0.7989 1.2699 1.4621 3.4454 0.7879 0.8972 1.3962 0.9827 2.0800 0.9823 0.9822 1.0138 2.0443 2.4295 2.5171 2.0455 2.3823 1.7231 1.7122 2.2322 1.1959 1.8274 2.0246 1.8343 1.2484 2.5351 1.9417 2.0420 2.2000 3.4969 3.5677 1.9860 2.1752 3.8987 3.5710 1.9886 2.0566 1.7584 1.7318 4.5819 2.0165 3.5726 1.8553 1.7806 1.6402 1.6453 1.7052 1.7073 1.6764 1.7289 1.7598 3.9056 3.1476 3.8764 3.1750 3.0480 11.4854 9.5100 10.2563 10.8235 20.0656 26.4002 6.3096 6.3573 6.3364 6.5631 6.7379 6.9972 7.0036 7.0373 7.0310 7.0465 7.0810 7.2167 7.2531 7.2928 7.4327 7.4359 7.4754 7.4573 7.5637 9.3342 9.4706 9.6364 1.1111 0.3435 5.4482 4.7862 4.3146 3.7857 1.1657 4.2953 1.7071 0.9484 1.5845 2.5426 0.2064 2.5855 0.7308 2.4105 1.4531 0.9405 1.4593 16.3648 1.6317 1.4454 4.5399 6.8824 12.9602 3.0255 11.3366 1.6263 3.7345 5.0097 74.0267 40.0799 31.4466 82.7043 21.9360 6.2332 18.0447 7.6494 1.9270 19.9539 124.1689 7.3549 5.7712 14.5686 8.9905 8.6598 22.2504 15.8913 10.4939 35.7870 51.1318 37.5427 9.1421 27.2583 27.6975 3.9283 17.7334 1.7478 5.5784 5.6299 10.8141 25.1398 10.7212 33.5930 0.6725 0.4629 6.4660 11.0768 64.0957 1.2196 0.2977 0.7807 21.8759 50.6872 5.2190 20.0641 39.8864 8.5699 7.5457 86.6147 11.0838 58.1587 378.1262 13.3077 1.7749 45.8147 22.1918 197.3665 262.7837 535.4112 105.6035 99.6491 67.8361 522.1029 190.2789 103.9823 30.7015 13.9962 28.5710 17.8247 14.9586 31.1541 24.3847 9.3063 0.7708 1.6891 26.5545 8.2900 13.3614 24.2777 10.1875 692.0159 26.6328 651.1782 242.6877 56.9278 5.9534 8.3259 180.2955 1.4169 292.6881 309.4174 17.6475 51.7211 23.7381 22.2168 12.5649 4.4385 46.9176 10.0405 63.5893 29.6414 43.9270 15.2530 22.7140 9.1737 4.1568 4.5059 6.4730 2.0450 9.6978 34.7145 36.5301 29.1444 1.5257 1.1924 0.8147 1.8247 2.0543 0.9728 7.9859 0.6763 1.2746 0.1599 0.5261 1.5900 0.5834 0.8512 0.4957 0.5679 0.9979 2.3137 2.2199 0.8377 0.0876 0.3879 0.8384 0.7189 3.6974 1.7437 4.0324 2.0133 2.8261 1.7078 0.7028 1.1004 1.0762 2.1241 0.4215 5.4635 1.7494 0.9210 2.0216 1.3085 13.0161 1.5576 0.9257 0.8035 2.3985 5.7256 6.9902 5.7546 4.5420 1.6358 6.0894 6.9534 7.0003 6.1516 16.7965 3.7999 14.0906 4.1495 8.3331 2.9437 4.6795 5.7949 3.7196 19.6425 3.9045 5.9012 2.2907 1.2897 9.8283 2.9964 1.5507 1.1932 0.2111 1.2644 1.4604 1.0937 1.2421 7.7561 3.0508 4.9893 3.7650 4.0320 28.6847 1.9552 6.0079 22.7100 5.1879 10.9243 11.3621 94.0469 7.9335 2.9025 17.6561 19.6908 5.9398 3.7388 5.1377 7.6778 11.6331 3.5850 0.8374 2.2436 4.5686 7.9442 15.0789 13.5346 27.9350 8.8160 27.6857 1.6312 9.9111 21.1069 6.0758 21.8209 6.7365 2.2401 5.0693 5.6615 233.3039 110.8040 3.4247 78.7896 4.8338 100.3617 223.0624 79.5583 78.0267 13.7046 77.8588 73.0442 108.3181 70.2941 55.9212 67.5041 63.9166 65.9774 80.7088 50.0501 87.5362 44.2412 128.3391 69.1633 76.0159 33.2351 0.7306 0.7474 0.7177 0.7406 0.7475 0.7091 0.6991 0.7484 0.5666 0.7332 0.7459 0.5862 0.7496 0.7083 0.7469 0.4133 0.4793 0.6896 0.3844 0.7395 0.6294 0.4985 0.6552 0.7479 0.4206 0.0688 0.3117 0.7499 0.4628 0.5659 0.5782 0.1733 0.7384 0.1996 0.7074 0.3307 0.4759 0.3679 0.4411 0.3712 0.4209 0.7359 0.3841 0.7280 0.5127 0.6399 0.2551 0.4227 0.4832 0.5332 0.0794 0.1531 0.0572 0.0841 0.1973 0.1377 0.1686 0.6843 0.5998 0.1401 0.1790 0.2230 0.0600 0.1685 0.5381 0.7269 0.2933 0.5015 0.3550 0.5584 0.5200 0.4451 0.3277 0.6090 0.7495 0.7215 0.4218 0.7500 0.2219 0.5324 0.7477 0.6175 0.5525 0.5523 0.2557 0.1794 0.2964 0.4660 0.7261 0.2613 0.3990 0.3637 0.1748 0.4200 0.1365 0.4789 0.3564 0.6916 0.7483 0.0917 0.7400 0.5315 0.7497 0.6794 0.7238 0.7469 0.7471 0.7496 0.7216 0.6885 0.7477 0.4775 0.6011 0.4195 0.4754 0.6947 0.3241 0.4956 0.4639 0.4550 0.4526 0.1972 0.2379 0.0329 0.0353 0.0968 0.3527 0.6990 0.5158 0.5274 0.7208 0.7052 0.6588 0.6961 0.4003 0.5225 0.1756 0.2713 0.2104 0.7376 0.1640 0.1489 0.1722 0.2108 0.8443 0.8555 0.8356 0.8510 0.8555 0.8298 0.8229 0.8561 0.7233 0.8460 0.8545 0.7392 0.8569 0.8293 0.8551 0.5849 0.6480 0.8163 0.5554 0.8502 0.7726 0.6653 0.7917 0.8558 0.5921 0.1287 0.4752 0.8571 0.6328 0.7228 0.7328 0.2954 0.8495 0.3327 0.8287 0.4970 0.6449 0.5379 0.6122 0.5415 0.5924 0.8479 0.5550 0.8426 0.6779 0.7804 0.4065 0.5942 0.6515 0.6956 0.1470 0.2656 0.1082 0.1551 0.3296 0.2421 0.2885 0.8126 0.7498 0.2457 0.3037 0.3646 0.1132 0.2884 0.6997 0.8419 0.4536 0.6680 0.5240 0.7166 0.6842 0.6160 0.4937 0.7570 0.8568 0.8382 0.5933 0.8571 0.3632 0.6948 0.8556 0.7635 0.7117 0.7116 0.4073 0.3042 0.4573 0.6358 0.8413 0.4143 0.5704 0.5334 0.2976 0.5916 0.2402 0.6476 0.5255 0.8177 0.8560 0.1681 0.8506 0.6941 0.8569 0.8091 0.8398 0.8551 0.8553 0.8569 0.8383 0.8155 0.8556 0.6464 0.7509 0.5910 0.6445 0.8198 0.4895 0.6627 0.6338 0.6254 0.6232 0.3294 0.3844 0.0637 0.0681 0.1765 0.5214 0.8228 0.6806 0.6905 0.8378 0.8271 0.7943 0.8208 0.5718 0.6863 0.2987 0.4268 0.3477 0.8490 0.2818 0.2591 0.2939 0.3481 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 6 6 6 8 6 6 6 6 6 6 35 6 8 7 6 16 7 6 6 6 6 6 6 6 6 8 7 6 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 12.00000 15.99491 14.00307 12.00000 31.97207 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 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 6106.9247 47907.6572 51059.9426 0.99985 -0.01555 -0.00720 0.01541 0.99969 -0.01964 0.00750 0.01953 0.99978 1 0.01418 0.00181 0.00170 0.29552 0.03767 0.03535 13.63 18.46 21.76 33.69 44.09 52.12 62.50 73.72 90.94 95.30 117.37 130.89 149.76 164.62 202.92 223.46 238.82 260.59 285.35 318.76 329.17 364.95 394.02 418.70 448.73 458.11 463.67 482.07 512.45 554.26 611.86 633.29 635.25 652.34 663.48 668.18 686.70 722.94 748.16 756.01 763.68 823.79 838.15 901.31 940.83 976.75 1003.05 1018.76 1048.01 1094.00 1112.34 1163.98 1170.22 1207.92 1222.79 1270.98 1292.81 1345.94 1352.65 1356.80 1365.72 1377.69 1424.32 1462.74 1473.83 1486.54 1492.16 1528.79 1553.46 1563.20 1588.61 1607.02 1611.33 1662.36 1673.18 1717.56 1724.18 1786.51 1787.47 1809.70 1811.15 1819.20 1864.54 1868.39 1877.63 1880.67 1893.54 1898.71 1910.92 1964.06 1977.97 2037.91 2046.02 2071.98 2087.16 2097.72 2137.72 2167.17 2201.71 2226.21 2255.78 2267.65 2269.81 2308.60 2340.24 2347.85 2350.32 2352.72 2358.63 2380.82 2382.06 2405.70 2417.05 2441.53 2467.29 2484.54 2523.27 2567.72 2587.27 2622.84 2809.92 2897.13 4624.75 4632.93 4633.58 4657.25 4667.20 4720.30 4730.40 4731.70 4732.48 4736.69 4747.66 4792.77 4833.19 4845.98 4882.94 4890.36 4897.21 4902.15 4927.18 5517.93 5557.79 5601.66 0.424903 0.452297 0.453241 0.359111 -4125.115940 -4125.088546 -4125.087602 -4125.181732 3.157136D-04 MUNgauss RevisionA2.1 retrievium 20-May-2021 DUDE CC(C)Oc1ccc(cc1Br)C(=O)NC(=S)Nc2ccc(cc2)CC(=O)NC C30835266 RHF 6-31G(d) (6D,10F) C1 463.056525 |X|Y|Z| 49.947616 30.985662 157.779408 62.504116 16 6 7 14 2 |36.858105| |12.508460|36.858105| |7.532844|12.539436|36.858105| |7.873578|13.377396|8.127519|73.516695| |6.016328|7.858773|5.300141|25.460071|36.858105| |5.604893|6.542434|4.419570|14.015615|13.671489|36.858105| |4.063214|4.439959|3.361927|9.263265|7.904944|13.798638|36.858105| |3.412075|3.730663|2.994497|8.188161|6.783591|7.902050|13.733751|36.858105| |3.502038|3.939041|3.232510|9.413188|7.885497|6.893269|7.983646|13.698112|36.858105| |4.346793|5.190374|4.136727|14.563235|13.628913|7.961241|6.917501|7.920141|13.834797|36.858105| |3.705167|4.357468|3.991267|11.360043|6.660317|4.590173|4.100026|4.599842|6.734966|10.064983|2539.412838| |2.731009|2.902428|2.430450|6.014804|4.428255|5.071163|7.711684|12.741643|7.487880|5.013983|120.812451|36.858105| |2.546982|2.690705|2.269154|5.359161|3.807652|4.551905|6.768820|8.102644|5.309630|4.023079|101.244575|16.057522|73.516695| |2.439968|2.557963|2.199306|5.325243|3.753419|3.962117|5.216068|7.846096|6.580016|4.477217|118.428005|13.653208|14.872674|53.358707| |2.072604|2.160809|1.903006|4.388847|2.959916|3.098090|3.859110|5.069457|4.546003|3.425437|97.810787|7.605949|11.534385|18.706300|36.858105| |1.867545|1.968779|1.758696|3.921411|2.593948|2.743611|3.358965|4.120095|3.673402|2.910474|84.713507|5.843602|10.579468|9.646248|11.569640|388.023441| |1.952230|2.002284|1.780099|4.048548|2.668368|2.733061|3.262391|4.106611|3.909360|3.083665|92.180369|5.347227|8.248180|11.547443|14.082025|50.817321|53.358707| |1.705600|1.743215|1.575025|3.470300|2.229309|2.270602|2.630871|3.152347|3.051152|2.526390|78.432301|3.884408|6.382099|7.149295|7.671110|42.860424|18.203349|36.858105| |1.591870|1.643482|1.505209|3.272111|2.076503|2.083592|2.370058|2.820225|2.808453|2.364982|75.669708|3.356632|5.541087|5.902648|5.935647|38.989867|10.620474|13.776493|36.858105| |1.429951|1.468998|1.358053|2.889314|1.805190|1.811238|2.027108|2.343460|2.333863|2.021510|65.691000|2.716241|4.592648|4.510894|4.214707|29.569757|7.002373|7.962618|13.761899|36.858105| |1.368483|1.391115|1.284513|2.710000|1.684981|1.704480|1.902120|2.159726|2.122941|1.858891|60.053469|2.493324|4.279421|4.052825|3.687919|25.551360|6.158362|6.834796|7.888090|13.720054|36.858105| |1.440817|1.452103|1.328820|2.823867|1.766629|1.805358|2.032832|2.303199|2.226922|1.937993|61.521109|2.694171|4.641400|4.408972|4.024913|26.602469|7.017646|7.936759|6.878995|7.975145|13.703859|36.858105| |1.606551|1.619595|1.465296|3.176959|2.017964|2.074794|2.379986|2.751474|2.626863|2.233293|69.433702|3.318100|5.635294|5.683886|5.449082|32.934880|10.695653|13.749916|7.953515|6.909418|7.910530|13.775868|36.858105| |1.234977|1.252882|1.166609|2.419416|1.486497|1.500636|1.652404|1.843088|1.818723|1.622628|53.037770|2.083476|3.611916|3.277154|2.859218|20.307116|4.526170|4.424420|4.999506|7.523930|12.545649|7.546861|5.013501|36.858105| |1.200508|1.209088|1.128891|2.328822|1.420630|1.426971|1.555792|1.722752|1.712828|1.545760|51.018922|1.913291|3.293677|2.990310|2.527555|17.356120|4.033449|3.760684|4.022466|5.326509|7.582188|6.155989|4.346740|12.513764|36.858105| |1.183137|1.183770|1.103181|2.268117|1.381306|1.394481|1.518618|1.666745|1.645360|1.491068|48.928923|1.847156|3.198436|2.858714|2.387373|16.277304|3.791651|3.441877|3.478855|4.279095|5.950317|5.760282|4.148842|7.994694|15.854558|73.516695| |1.180711|1.191415|1.118872|2.300484|1.395251|1.387556|1.499761|1.662931|1.677315|1.525129|51.158074|1.820121|3.102837|2.842607|2.363609|16.093750|3.751805|3.396003|3.745205|4.830401|5.828509|4.720160|3.690303|7.825747|14.101486|15.111032|53.358707| |1.147632|1.151362|1.084805|2.216161|1.334532|1.321832|1.415929|1.558098|1.579789|1.452590|49.136839|1.680904|2.857008|2.600551|2.111203|14.170688|3.329727|2.891507|3.072163|3.663308|4.219051|3.784880|3.139411|5.016063|7.802425|12.237436|17.918212|36.858105| |17.580269|8.762696|5.478298|12.516456|6.378420|6.593499|4.736112|3.828699|3.789497|4.555056|123.603989|3.035277|5.030507|3.641051|2.243598|14.214755|2.869313|1.824111|1.682553|1.504201|1.444310|1.533236|1.723229|1.296585|1.259151|2.211818|1.677399|1.195734|0.500000| |17.567914|8.860800|6.917108|12.650399|5.363748|4.680101|3.588392|3.167762|3.358582|4.196515|130.781651|2.566930|4.206544|3.203050|2.010480|12.780860|2.614587|1.685536|1.577200|1.420298|1.359995|1.429770|1.589643|1.229476|1.201928|2.105809|1.616364|1.159880|0.301456|0.500000| |17.556722|8.848159|6.817108|10.092558|4.616167|4.559615|3.493804|2.942688|2.959412|3.523942|105.051243|2.434219|4.117889|2.968039|1.883804|12.239777|2.419946|1.570586|1.470204|1.330921|1.279620|1.345954|1.490315|1.161998|1.130845|1.986395|1.512374|1.081713|0.301441|0.300554|0.500000| |8.834580|17.581901|8.933042|16.515495|7.299344|7.194637|4.794165|3.835192|3.858703|4.822727|131.021564|3.001283|5.054719|3.511154|2.183797|14.358964|2.716774|1.737821|1.637167|1.463250|1.386086|1.447515|1.615118|1.248332|1.198413|2.086491|1.600468|1.131619|0.209840|0.173503|0.212374|0.500000| |6.858735|8.854925|17.573402|13.054797|4.854405|3.925926|3.081365|2.830976|3.128764|4.024666|142.720716|2.316396|3.806537|2.911251|1.857615|12.107246|2.393906|1.561283|1.495212|1.351768|1.278988|1.321392|1.453850|1.163240|1.131155|1.964704|1.532432|1.096167|0.140613|0.206686|0.167788|0.174327|0.500000| |5.495400|8.851399|17.586046|13.099596|5.132431|4.244408|3.305508|2.995584|3.268326|4.168387|140.103297|2.440111|4.054203|3.003042|1.917142|12.733078|2.423412|1.578192|1.520050|1.370396|1.288711|1.325243|1.458741|1.170755|1.128154|1.952491|1.523885|1.081870|0.122985|0.141240|0.139993|0.215652|0.301065|0.500000| |6.852647|8.857908|17.559998|10.262561|4.252741|3.824268|2.999538|2.650615|2.783686|3.403317|110.722613|2.205086|3.719477|2.717921|1.748447|11.594510|2.232517|1.463086|1.398313|1.270014|1.207630|1.250137|1.371618|1.102390|1.068354|1.861460|1.439268|1.027015|0.139825|0.170765|0.203013|0.213091|0.300308|0.300393|0.500000| |6.427331|7.232197|4.671193|12.522745|8.881574|17.784207|8.995072|5.652003|4.968022|5.647937|129.525318|4.152054|7.024280|4.527223|2.705331|17.436592|3.289485|2.048925|1.885717|1.661030|1.576999|1.671264|1.900992|1.401130|1.336636|2.332951|1.766827|1.240889|0.216745|0.137651|0.150315|0.249795|0.111191|0.121063|0.116579|0.500000| |3.650159|3.851252|2.994140|7.463251|5.635955|8.946999|17.753219|8.963631|5.674532|4.977966|113.343311|7.230044|13.442829|6.570278|3.743925|23.931237|4.285122|2.573328|2.300603|1.984072|1.881153|2.024957|2.366499|1.639110|1.538665|2.683980|2.003272|1.386874|0.118773|0.089030|0.090605|0.118388|0.075964|0.081543|0.076399|0.217427|0.500000| |2.988333|3.310880|2.846529|7.640483|5.647787|4.966327|5.652471|8.855127|17.751200|9.038339|224.444288|6.821984|8.630824|9.802852|5.074805|28.261400|6.016053|3.403338|3.179900|2.590367|2.310646|2.397855|2.840860|1.959639|1.838394|3.109734|2.464679|1.696596|0.088210|0.081388|0.071498|0.089393|0.077931|0.080651|0.068806|0.107841|0.124238|0.500000| |2.550942|2.654454|2.281169|5.633210|3.968605|4.010094|5.031769|7.583115|7.388913|4.946637|132.879495|9.357840|10.936407|26.046199|9.394311|38.483820|11.009319|5.072688|4.223043|3.247320|2.922593|3.174645|4.066337|2.372045|2.203493|3.744964|2.885518|1.959704|0.077659|0.069345|0.062631|0.072904|0.062389|0.063168|0.057090|0.092471|0.123870|0.241659|0.500000| |2.057461|2.082742|1.838889|4.224391|2.788269|2.845178|3.374786|4.229372|4.061446|3.223794|96.008062|5.261663|7.904839|11.073173|9.499801|38.420508|26.009139|9.272551|6.003074|4.385171|4.059569|4.762948|7.104170|3.079874|2.851590|4.851421|3.639134|2.429020|0.062179|0.056578|0.051781|0.057189|0.050731|0.050644|0.046988|0.069713|0.089700|0.125974|0.249070|0.500000| |1.639157|1.711901|1.572786|3.438521|2.187689|2.171763|2.465195|2.978501|3.027456|2.530018|81.723078|3.511799|5.699632|6.200889|6.108391|41.194033|9.732245|8.939231|17.751440|8.907484|5.624898|4.957773|5.657095|4.079562|3.391989|5.257198|4.465096|2.759068|0.047880|0.045089|0.041909|0.047359|0.043381|0.044413|0.040391|0.054190|0.065664|0.097505|0.123377|0.153450|0.500000| |1.361606|1.405718|1.310163|2.760282|1.711178|1.705444|1.889248|2.169697|2.184598|1.914716|63.170828|2.470414|4.186930|4.010430|3.623476|26.289955|5.681765|5.667412|8.964566|17.704034|8.905864|5.656013|4.969973|6.968383|4.996719|6.971873|6.587960|3.629996|0.039531|0.037610|0.035285|0.038888|0.036262|0.036878|0.034064|0.043566|0.051213|0.067421|0.080428|0.100901|0.216069|0.500000| |1.378249|1.379335|1.264135|2.660196|1.653325|1.696095|1.896595|2.112490|2.033384|1.792319|56.934128|2.439254|4.249338|3.882133|3.409907|22.749349|5.693912|5.649354|4.956227|5.662389|8.918786|17.730953|8.935495|7.018020|6.449624|12.224324|6.346758|3.861320|0.040764|0.038016|0.035933|0.038202|0.034934|0.034903|0.033186|0.043979|0.052833|0.060017|0.077890|0.111864|0.107624|0.124223|0.500000| |1.668276|1.665257|1.495040|3.250809|2.071399|2.155070|2.486599|2.841214|2.660994|2.266305|69.346824|3.437824|5.892825|5.777714|5.262030|30.783333|9.841514|8.925342|5.655238|4.970590|5.633913|8.924232|17.712076|4.089931|3.744639|6.673954|4.371499|2.843381|0.050119|0.045770|0.043010|0.046167|0.041146|0.041091|0.038954|0.055057|0.069381|0.078401|0.114877|0.203239|0.124390|0.107809|0.215508|0.500000| |1.197871|1.213170|1.128736|2.328717|1.429942|1.454495|1.604073|1.772786|1.730349|1.547271|50.166136|2.011600|3.537142|3.116070|2.710531|19.669738|4.189308|3.981415|4.286320|5.850865|8.871940|6.806134|4.633328|17.596713|9.048027|13.391498|7.985423|4.223320|0.034978|0.033017|0.031421|0.033706|0.031169|0.031445|0.029728|0.037918|0.044562|0.051278|0.061978|0.079281|0.099125|0.150676|0.194729|0.109250|0.500000| |1.199834|1.223851|1.145521|2.364957|1.448120|1.454629|1.594367|1.778931|1.768705|1.584181|52.242771|1.996889|3.457302|3.122518|2.707742|19.605478|4.188728|3.979420|4.769128|7.291602|8.877900|5.587374|4.184954|17.569666|8.824325|10.554337|10.094924|4.750830|0.034831|0.033188|0.031378|0.033880|0.031737|0.032056|0.030059|0.037721|0.043779|0.053145|0.062755|0.078559|0.113427|0.223787|0.140861|0.096192|0.302131|0.500000| |1.198215|1.215738|1.143950|2.357151|1.430605|1.416180|1.530468|1.707454|1.734195|1.573646|53.113895|1.867447|3.168151|2.931486|2.447903|16.754658|3.873549|3.517321|4.070167|5.399133|5.946294|4.529047|3.652653|7.500942|9.418015|10.904251|26.100051|9.037815|0.034657|0.033477|0.031263|0.033318|0.031984|0.031901|0.029960|0.036677|0.041537|0.052408|0.060776|0.075768|0.100588|0.160003|0.117793|0.086811|0.151070|0.227117|0.500000| 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