Version2.1 2020-12-27T09:38:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C)CCCN(c1nc2ccc(cc2s1)Cl)C(=O)[C@@H]3CCCCN3S(=O)(=O)c4cccs4 C36648047 RHF 6-31G(d) (6D,7F) C[NH+](C)CCCN(c1nc2ccc(cc2s1)Cl)C(=O)[C@@H]3CCCCN3S(=O)(=O)c4cccs4 C01[X(C22H28Cl1N4O3S3)] 177 C1 567 C[NH+](CCCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1nc2c(s1)cc(cc2)Cl)C C[NH+](CCCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1nc2c(s1)cc(cc2)Cl)C C[NH+](C)CCCN(C(=O)[C@@H]1CCCCN1[S](=O)(=O)c2sccc2)c3sc4cc(Cl)ccc4n3 InChIKey=RACOUTFMILFZRH-SFHVURJKSA-O InChI=1S/C22H27ClN4O3S3/c1-25(2)11-6-12-26(22-24-17-10-9-16(23)15-19(17)32-22)21(28)18-7-3-4-13-27(18)33(29,30)20-8-5-14-31-20/h5,8-10,14-15,18H,3-4,6-7,11-13H2,1-2H3/p+1/t18-/m0/s1 InChI=1/C22H27ClN4O3S3/c1-25(2)11-6-12-26(22-24-17-10-9-16(23)15-19(17)32-22)21(28)18-7-3-4-13-27(18)33(29,30)20-8-5-14-31-20/h5,8-10,14-15,18H,3-4,6-7,11-13H2,1-2H3/p+1/t18-/m0/s1/fC22H28ClN4O3S3/h25H/q+1 C[NH+](C)CCCN(c1nc2ccc(cc2s1)Cl)C(=O)[C@@H]3CCCCN3S(=O)(=O)c4cccs4 C01[X(C22H28Cl1N4O3S3)] 177 C01 567 C[NH+](CCCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1nc2c(s1)cc(cc2)Cl)C C[NH](CCCN(C(=O)[C@@H]1CCCCN1[S@]([O])(=O)C1=[CH][CH]=[CH]S1)C1=N[C]2[C]([CH][C]([CH][CH]2)Cl)S1)C C[NH](C)CCCN(C(=O)[C@@H]1CCCCN1[S]([O])(=O)c2sccc2)C3=N[C]4[CH][CH][C](Cl)[CH][C]4S3 InChIKey=HJLNKMCHKHQNFJ-SFHVURJKSA-N InChI=1S/C22H28ClN4O3S3/c1-25(2)11-6-12-26(22-24-17-10-9-16(23)15-19(17)32-22)21(28)18-7-3-4-13-27(18)33(29,30)20-8-5-14-31-20/h5,8-10,14-15,18,25H,3-4,6-7,11-13H2,1-2H3/t18-/m0/s1 InChI=1/C22H28ClN4O3S3/c1-25(2)11-6-12-26(22-24-17-10-9-16(23)15-19(17)32-22)21(28)18-7-3-4-13-27(18)33(29,30)20-8-5-14-31-20/h5,8-10,14-15,18,25H,3-4,6-7,11-13H2,1-2H3/t18-/m0/s1 4395.7555572600 -2943.5075623 1-A 21812.6283 138 429 567 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5.0541 3.4956 4.3477 5.9453 8.0774 6.7938 8.3752 7.2482 8.0301 3.7431 3.6843 2.1253 4.5982 2.6991 7.6977 1.1747 5.3433 2.7485 1.9699 3.8797 3.2163 1.9587 1.4404 2.3787 2.5180 1.3959 2.3155 1.2972 2.8530 2.5242 2.2298 3.0925 1.3859 1.3414 2.9737 2.6240 2.0171 1.9039 1.3670 2.3678 2.4164 2.4189 2.2301 1.5476 3.4007 2.5690 1.4426 2.0669 2.5008 5.6216 3.4199 2.1077 1.9671 1.9633 2.0917 2.0173 1.6947 1.6063 1.7663 1.4969 1.9260 1.5433 3.8842 2.1861 1.4971 1.2991 1.3292 1.2746 1.1045 1.3631 2.0738 1.4627 1.3197 1.4614 1.4183 2.0192 2.3653 1.3670 1.2951 1.2823 5.4299 1.2333 1.1948 1.0556 1.1436 1.1100 2.6080 1.0592 1.0879 1.0546 1.1045 1.0908 1.1071 1.0643 1.0947 1.0942 5.0366 6.9838 9.6368 6.9547 12.5724 1.0698 1.0628 1.0726 1.0810 1.0721 1.0649 1.0333 1.0939 1.0644 1.1001 1.0578 1.0397 1.1061 1.1037 1.0980 1.0991 1.1070 1.1102 1.1104 1.1098 1.0907 1.1076 1.0942 1.0970 1.0907 1.0957 1.1018 1.0784 0.0008 0.0016 0.0009 0.0023 0.0037 0.0057 0.0068 0.0087 0.0079 0.0172 0.0189 0.0334 0.0207 0.0530 0.0990 0.0520 0.1263 0.0550 0.1561 0.0748 0.1693 0.0405 0.2578 0.1180 0.1979 0.0494 0.3437 0.3279 0.1794 0.3155 0.5170 0.2290 0.2662 0.4986 0.4421 0.3018 0.6080 0.5343 0.4876 0.3635 0.3983 0.4542 0.7616 0.6031 0.5821 0.6604 1.2931 0.8684 1.0741 0.7578 1.0140 1.4636 2.1295 1.8520 2.5201 2.3148 2.6597 1.3014 1.4050 0.8235 1.7840 1.0575 3.1263 0.4880 2.2865 1.2640 0.9414 1.9595 1.6445 1.0223 0.7566 1.2830 1.4046 0.8206 1.3843 0.7990 1.7617 1.5705 1.4315 2.0833 0.9455 0.9530 2.1378 1.9244 1.5081 1.4524 1.0578 1.8523 1.9088 1.9230 1.8198 1.2854 2.9122 2.2427 1.2644 1.8392 2.2475 5.1853 3.1846 1.9768 1.9314 1.9348 2.1223 2.0769 1.8590 1.7757 1.9691 1.6855 2.1856 1.8214 4.6382 2.6316 1.8386 1.6084 1.6518 1.6026 1.4272 1.8168 2.7966 1.9854 1.8296 2.0451 1.9885 2.8861 3.3951 1.9814 1.8947 1.8875 8.0110 1.8319 1.7884 1.6271 1.7658 1.7272 4.0867 1.6670 1.7137 1.6770 1.7597 1.7432 1.7852 1.7212 1.7787 1.7830 8.9771 12.6478 17.5580 13.3542 31.0975 6.4700 6.5072 6.6041 6.6650 6.6201 6.6005 6.4758 6.8693 6.7071 6.9336 6.6783 6.5828 7.0747 7.1004 7.1461 7.1950 7.3219 7.3983 7.4093 7.4409 7.4176 7.5654 7.4786 7.5290 7.4976 7.6153 7.7006 8.6833 1.9790 3.3551 1.5457 0.6307 0.8347 1.1531 3.1498 8.2255 1.7359 3.7942 1.2577 7.4004 2.0109 1.0789 2.5158 2.4647 0.0973 0.6550 7.1759 0.4395 0.6751 0.1944 0.2213 4.1902 2.4518 0.0976 4.2074 3.9708 5.9049 4.2952 6.5175 3.5117 2.0889 4.5124 1.8393 2.1328 0.0385 1.2567 1.2300 2.4671 2.1805 1.5624 0.4351 1.8425 16.6541 4.7548 1.4093 4.4675 7.7610 10.8392 8.3733 41.8634 120.0700 14.3148 18.5264 79.5201 22.0331 9.1958 39.3651 18.6517 1.8341 38.9924 18.9293 75.2140 71.3931 5.3099 11.0773 6.4749 58.0226 5.4787 36.4927 20.1148 24.2330 13.9782 25.8626 3.8907 14.5120 130.4835 4.6527 32.1615 1.4067 0.0276 47.8122 67.5259 23.2598 3.0455 10.8113 4.2112 21.5928 10.3179 123.6832 66.5266 160.7002 78.8637 34.8751 17.0198 4.9045 159.7284 193.0114 93.0153 9.2426 37.0143 58.3865 29.0684 83.8308 46.7265 97.0026 16.1693 7.1375 50.7267 315.0781 46.8116 85.1868 13.4604 9.6979 39.1888 9.9409 0.5589 19.4061 149.2180 29.7837 9.6740 51.2798 13.3743 53.1703 8.4122 17.9894 33.5028 59.1381 30.4390 11.3100 12.0703 2.4564 16.6226 204.1418 21.6262 6.9236 33.7251 2.6190 5.1704 10.3459 37.3239 2.1830 30.6788 17.2703 82.6024 347.0936 144.2837 191.5759 26.0810 21.5065 13.9192 24.6217 15.3703 5.1802 3.0720 35.3194 2.1922 45.3485 23.4682 4.5389 20.1038 24.8756 12.0617 8.9028 5.5272 1.7002 2.8961 4.2461 1.6051 0.3400 0.7541 2.5648 2.2850 1.8064 0.3398 46.2424 1.0347 0.8379 0.6723 2.7742 4.3854 5.1675 0.9364 1.7796 0.9861 1.0057 0.6236 0.2594 0.1828 0.5259 1.0895 0.6003 0.5163 0.6623 0.9951 0.9014 1.1461 0.1568 1.1957 0.4961 2.7682 0.1341 0.9502 1.1731 1.8966 2.3474 3.8693 1.8923 0.5521 2.7788 1.8518 1.6173 2.3447 4.6821 1.6138 0.9949 0.3602 0.5478 5.3377 2.7920 1.4231 1.3863 9.7858 0.6865 1.1324 0.6885 0.1350 0.5527 6.6564 1.5745 2.9497 7.2386 15.8359 5.9525 6.5536 2.7834 2.4682 17.1125 1.9880 2.4244 2.4490 3.5585 3.3755 2.2418 2.3687 2.5369 1.0312 8.5462 1.0290 1.0574 6.7435 0.2301 5.0979 3.0217 2.6457 6.2195 2.1708 0.6685 11.3092 0.8973 3.4222 9.6801 3.3720 10.0788 5.2035 3.4885 7.8630 1.7916 0.7080 19.2605 6.0026 1.9558 0.6645 15.7301 6.3265 0.9302 41.2853 20.5629 3.3177 2.4568 3.9722 10.2691 8.4147 11.1206 35.3407 2.2261 4.2044 90.1520 9.7933 7.2206 16.7391 4.7686 24.0349 0.2167 14.1103 4.3846 3.7013 1.3859 4.1614 9.6631 5.3570 7.7469 1.9614 10.3807 126.4024 1.8197 2.6507 10.8739 2.1375 10.4618 86.8344 4.0096 18.1232 17.9560 3.0046 26.7243 9.4961 11.8958 3.2453 5.6113 7.5994 232.0534 271.4107 22.2942 6.7059 67.2212 73.4071 62.6693 14.0513 92.6892 48.1743 37.1941 176.4512 19.9628 64.1606 71.5484 211.2908 69.7370 47.2882 47.0078 8.7888 19.5418 39.3452 46.4208 64.9858 48.3170 36.2440 62.6058 150.4923 111.9052 62.7417 202.7581 28.7671 0.7497 0.7031 0.7486 0.7465 0.7496 0.7497 0.7099 0.7487 0.7438 0.7237 0.7318 0.6517 0.5273 0.4418 0.2202 0.7499 0.3040 0.5748 0.6667 0.5621 0.7499 0.3719 0.4640 0.2913 0.3029 0.1412 0.7278 0.7472 0.1785 0.6121 0.4430 0.0881 0.7124 0.7390 0.5467 0.2436 0.6207 0.2598 0.7490 0.3002 0.6809 0.6997 0.4522 0.2617 0.5437 0.1559 0.3262 0.7462 0.7109 0.3816 0.6898 0.7067 0.2223 0.6020 0.1653 0.2884 0.1218 0.2973 0.0735 0.6911 0.6601 0.1216 0.7406 0.7307 0.4786 0.2660 0.1404 0.0979 0.3074 0.1096 0.7442 0.0878 0.6814 0.7479 0.2024 0.7126 0.7257 0.4821 0.5985 0.6954 0.7329 0.7458 0.3446 0.7372 0.5811 0.3695 0.4751 0.6642 0.3337 0.4977 0.3641 0.6770 0.4735 0.0412 0.3873 0.6006 0.4435 0.1614 0.6298 0.3951 0.1800 0.2196 0.3969 0.3042 0.2915 0.6617 0.2815 0.3094 0.2485 0.7107 0.3446 0.3185 0.3691 0.7273 0.6053 0.6532 0.7499 0.1131 0.2515 0.4694 0.6333 0.4990 0.6145 0.6398 0.4441 0.5028 0.6565 0.7337 0.3043 0.7494 0.6862 0.7415 0.7494 0.7021 0.3622 0.7492 0.7454 0.7279 0.5423 0.6013 0.5301 0.6043 0.7378 0.5962 0.4708 0.4183 0.3023 0.6044 0.2703 0.2343 0.2249 0.2392 0.3417 0.2117 0.3393 0.0208 0.1927 0.2925 0.6744 0.2449 0.0088 0.4834 0.4874 0.6956 0.2894 0.4246 0.6916 0.7493 0.7429 0.7498 0.6293 0.3290 0.1800 0.6000 0.4448 0.1628 0.2461 0.8570 0.8256 0.8562 0.8548 0.8569 0.8569 0.8304 0.8563 0.8531 0.8397 0.8451 0.7891 0.6905 0.6129 0.3610 0.8571 0.4663 0.7300 0.8000 0.7197 0.8571 0.5422 0.6338 0.4512 0.4650 0.2475 0.8425 0.8553 0.3029 0.7594 0.6140 0.1620 0.8321 0.8499 0.7069 0.3918 0.7659 0.4125 0.8565 0.4618 0.8102 0.8233 0.6227 0.4149 0.7044 0.2698 0.4920 0.8546 0.8310 0.5524 0.8164 0.8281 0.3637 0.7515 0.2837 0.4477 0.2171 0.4584 0.1370 0.8173 0.7953 0.2169 0.8510 0.8444 0.6474 0.4202 0.2462 0.1783 0.4702 0.1975 0.8533 0.1614 0.8105 0.8557 0.3367 0.8322 0.8411 0.6506 0.7488 0.8204 0.8459 0.8544 0.5126 0.8487 0.7351 0.5396 0.6441 0.7982 0.5005 0.6646 0.5339 0.8074 0.6427 0.0791 0.5584 0.7505 0.6145 0.2780 0.7728 0.5664 0.3051 0.3601 0.5682 0.4665 0.4514 0.7964 0.4393 0.4726 0.3981 0.8309 0.5125 0.4831 0.5392 0.8421 0.7541 0.7902 0.8571 0.2032 0.4019 0.6389 0.7755 0.6658 0.7612 0.7803 0.6151 0.6692 0.7926 0.8464 0.4666 0.8567 0.8139 0.8516 0.8567 0.8250 0.5318 0.8566 0.8541 0.8426 0.7032 0.7510 0.6929 0.7534 0.8491 0.7470 0.6402 0.5899 0.4642 0.7534 0.4256 0.3796 0.3672 0.3861 0.5094 0.3494 0.5067 0.0407 0.3232 0.4526 0.8055 0.3935 0.0174 0.6517 0.6554 0.8205 0.4488 0.5961 0.8177 0.8567 0.8525 0.8570 0.7724 0.4951 0.3050 0.7500 0.6157 0.2800 0.3950 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 7 1 6 6 6 6 7 6 7 6 6 6 6 6 6 16 17 6 8 6 1 6 6 6 6 7 16 8 8 6 6 6 6 16 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 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 34.96885 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 31.97207 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 11503.0968 32145.1868 37332.7967 0.99998 -0.00526 0.00177 0.00528 0.99992 -0.01137 -0.00171 0.01138 0.99993 1 0.00753 0.00269 0.00232 0.15689 0.05614 0.04834 21.06 32.28 33.17 37.86 44.36 59.72 61.99 72.08 88.17 111.67 127.15 135.82 168.01 185.31 217.37 229.31 248.40 271.37 279.93 282.82 307.93 328.32 331.36 355.97 362.74 386.59 418.28 429.85 445.29 485.18 498.12 514.85 524.87 545.94 563.10 571.43 587.63 616.97 664.98 679.99 688.83 693.69 715.48 737.53 761.27 795.89 821.27 831.35 864.10 872.75 905.22 930.02 962.43 978.66 1028.20 1059.28 1078.75 1105.24 1157.54 1166.80 1167.52 1173.28 1194.55 1208.08 1226.17 1271.15 1295.78 1332.09 1340.31 1354.16 1358.50 1376.63 1399.96 1437.13 1449.32 1471.13 1472.91 1478.55 1501.85 1538.46 1548.24 1579.91 1589.30 1605.21 1620.80 1637.13 1648.84 1657.88 1665.95 1671.29 1693.22 1708.28 1734.57 1751.32 1754.82 1768.16 1776.99 1800.21 1808.77 1815.26 1857.33 1860.79 1888.07 1901.89 1963.19 1970.81 1979.13 1989.00 1996.78 2036.35 2048.28 2056.56 2077.22 2085.72 2089.56 2101.84 2130.67 2164.03 2176.73 2183.83 2207.06 2217.37 2219.48 2240.98 2245.69 2256.69 2267.18 2274.09 2276.77 2284.44 2293.24 2327.13 2329.13 2338.18 2346.39 2351.50 2352.58 2363.66 2365.92 2369.60 2380.23 2383.71 2389.31 2392.77 2502.47 2522.49 2530.11 2597.39 2947.97 4609.56 4638.16 4651.20 4654.26 4657.88 4666.58 4692.58 4697.08 4705.28 4705.71 4709.85 4716.61 4740.46 4754.33 4781.83 4795.86 4820.60 4838.77 4841.95 4853.60 4888.18 4898.83 4900.36 4910.67 4914.44 4941.63 4955.37 5318.82 0.530056 0.560320 0.561264 0.464273 -2942.977506 -2942.947242 -2942.946298 -2943.043290 3.253128D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE C[NH+](C)CCCN(c1nc2ccc(cc2s1)Cl)C(=O)[C@@H]3CCCCN3S(=O)(=O)c4cccs4 C36648047 RHF 6-31G(d) (6D,10F) C1 527.101209 |X|Y|Z| 69.817185 43.420909 122.689405 71.915544 23 6 7 16 17 3 3 |36.858105| |12.717230|53.358707| |9.342768|25.712024|0.500000| |7.746133|17.380920|0.260293|36.858105| |7.606259|17.163349|0.258173|7.677540|36.858105| |6.043741|10.306291|0.205807|4.999156|12.505870|36.858105| |4.271536|6.700134|0.130415|3.816477|7.563149|12.358757|36.858105| |3.614111|5.229743|0.105119|3.056076|5.031707|7.629041|13.089948|53.358707| |3.096544|4.512752|0.094578|2.703747|4.056302|5.850267|7.685229|18.746355|36.858105| |2.696711|3.800561|0.079663|2.328245|3.253907|4.347078|5.216839|11.134562|15.056745|53.358707| |2.379032|3.391260|0.072327|2.123348|2.821737|3.618360|4.092072|7.370853|8.693905|18.711273|36.858105| |2.071975|2.904017|0.061742|1.851957|2.354921|2.892483|3.177432|5.437194|5.417044|10.525295|13.704694|36.858105| |1.875250|2.648903|0.056711|1.716785|2.116281|2.533673|2.719934|4.391060|4.170569|7.021851|7.979374|13.821677|36.858105| |1.889334|2.719981|0.058808|1.773461|2.171384|2.587392|2.748097|4.276584|4.069663|6.262577|6.904111|7.923327|13.669092|36.858105| |2.106459|3.097273|0.067500|2.001898|2.510726|3.051747|3.257612|5.008865|4.973090|7.107407|7.833024|6.771861|7.869336|13.819086|36.858105| |2.399987|3.530919|0.076543|2.226167|2.942666|3.757657|4.160533|6.810992|7.778501|11.039145|13.700006|7.938832|6.945918|8.078521|13.754840|36.858105| |2.900163|4.459639|0.096920|2.741907|3.930720|5.367103|6.205878|9.433660|10.763938|10.018937|7.425869|4.886761|4.255489|4.703937|6.724436|10.871429|388.023441| |1.649418|2.372768|0.051308|1.578949|1.860474|2.144276|2.234560|3.345985|2.989927|4.410006|4.234664|4.767507|7.034370|10.951500|7.070151|4.802338|24.508431|448.794386| |3.680458|4.919183|0.096815|2.880788|4.450109|6.080771|7.773880|18.028548|7.895065|9.290884|4.586072|3.682104|2.950703|2.772769|3.083760|3.970920|33.563523|17.783788|36.858105| |3.770717|4.816934|0.096682|2.795462|4.067298|5.472334|5.827827|11.299421|6.629817|8.707539|4.494463|3.731791|2.982956|2.763285|3.015610|3.816238|30.431935|17.777905|16.165286|73.516695| |3.213056|4.261584|0.081682|2.619283|3.830158|4.582249|5.960556|10.450264|5.355529|6.774991|3.663437|3.117399|2.563085|2.400952|2.612072|3.218267|26.238995|15.819845|12.481625|14.152380|36.858105| |3.189341|4.373664|0.082713|2.730952|4.088798|4.714220|6.651487|10.195563|5.102758|6.112995|3.430278|2.896392|2.431923|2.324259|2.561857|3.132659|26.469124|15.449350|8.840261|10.499691|17.564610|0.500000| |2.582894|3.457928|0.067874|2.182757|2.996831|3.548132|4.469632|8.133992|5.036354|7.216600|3.930410|3.474062|2.793778|2.535954|2.684313|3.284152|24.815910|16.588935|7.883690|11.046736|12.312108|0.245508|36.858105| |2.259150|3.004744|0.058558|1.950965|2.550731|2.860985|3.458978|5.628523|3.621116|5.140243|3.061810|2.834044|2.372920|2.166448|2.254092|2.646013|19.684882|14.619802|4.997709|7.668713|7.434814|0.182636|12.510452|36.858105| |2.300697|2.971386|0.057463|1.934957|2.462251|2.699734|3.101271|4.855122|3.098132|4.351288|2.640592|2.474347|2.104508|1.929761|1.998345|2.312705|17.255256|13.220413|4.501211|7.398559|6.439053|0.151807|7.696630|12.514129|36.858105| |2.688677|3.411520|0.064649|2.207826|2.847775|3.055209|3.470752|5.197956|3.146069|4.218107|2.539420|2.322223|1.990751|1.859673|1.958644|2.276919|17.615585|12.770284|4.959376|8.016687|7.533298|0.180721|6.551364|7.646315|12.545850|36.858105| |3.287424|4.133557|0.077951|2.572721|3.536939|3.950829|4.533836|6.985520|3.937693|5.125440|2.957277|2.619899|2.208904|2.070834|2.216491|2.639776|21.016777|13.980789|7.636992|11.819399|12.937911|0.250064|7.665004|6.558487|7.655293|12.819532|53.358707| |4.186407|4.975044|0.090176|3.066708|4.175520|4.331162|4.523268|6.150848|3.472085|4.342596|2.597490|2.293964|1.981980|1.897644|2.051172|2.408022|19.693781|13.004238|5.983779|9.948823|7.126332|0.179670|4.731507|4.236883|4.814650|7.342437|15.733822|388.023441| |3.678549|4.489240|0.080397|2.932060|3.729059|3.603836|3.800674|4.943670|2.892173|3.628000|2.237025|2.001186|1.759950|1.698635|1.829774|2.108743|17.167183|11.824265|4.344496|7.087702|5.338543|0.151306|3.936442|3.843596|4.404348|6.769972|10.192802|94.713116|73.516695| |5.676033|6.739299|0.118609|3.845262|6.006596|6.336885|6.164550|7.669743|4.089377|4.835225|2.863978|2.455417|2.120456|2.060873|2.275576|2.711434|23.233924|13.997588|7.088158|11.485507|6.802423|0.180737|4.413837|3.689108|3.830173|5.041045|10.409875|93.795306|13.820889|73.516695| |3.956070|4.418329|0.082189|2.760579|3.394753|3.525536|3.439291|4.824295|2.942454|3.830277|2.356753|2.139748|1.865041|1.771698|1.882659|2.170745|17.108763|12.277381|4.591593|8.773985|4.859659|0.117848|3.802085|3.510550|4.207440|5.712879|9.684146|77.646538|13.232428|12.972193|36.858105| |3.478197|3.897832|0.072495|2.540200|2.910913|2.908685|2.824773|3.880199|2.437824|3.194963|2.019847|1.862277|1.650018|1.574403|1.661282|1.881479|14.668805|11.080922|3.476994|6.503927|3.727274|0.094681|3.097956|3.005843|3.638209|4.758818|6.912229|49.600533|11.614945|9.158474|14.092882|36.858105| |3.137146|3.505733|0.066684|2.302115|2.543454|2.570538|2.456105|3.418161|2.218077|2.955929|1.901255|1.779539|1.588339|1.510616|1.578621|1.768684|13.528601|10.712473|3.010983|5.822004|3.099976|0.078244|2.701893|2.617497|3.124345|3.754490|5.377578|34.035544|7.806216|7.079797|8.258440|13.331596|36.858105| |3.223498|3.585771|0.069480|2.301578|2.588584|2.700772|2.550910|3.633462|2.388038|3.221247|2.067169|1.941074|1.721800|1.626160|1.693255|1.904011|14.414734|11.463026|3.251177|6.591159|3.207629|0.078924|2.825521|2.658579|3.123686|3.617295|5.423486|32.509294|6.887771|7.132156|7.800654|8.272001|14.127973|36.858105| |3.775074|4.199675|0.081405|2.577621|3.128397|3.422263|3.239097|4.759056|3.042924|4.085444|2.528849|2.324690|2.014143|1.891129|1.989210|2.292141|17.578216|13.043535|4.565402|9.901546|4.311497|0.100967|3.622150|3.218962|3.728946|4.412920|7.455752|44.094528|8.053587|9.842416|10.990394|7.397006|7.413035|11.083285|388.023441| |17.667284|12.335122|0.181440|7.088132|6.917003|5.272212|4.078118|4.692078|2.895558|3.460650|2.228425|1.954838|1.766250|1.768573|1.957291|2.225941|18.962367|12.438762|3.594478|6.404985|3.294726|0.091996|2.612097|2.325343|2.401341|2.875991|4.743193|33.517786|7.656137|11.167178|4.369210|3.920819|3.408565|3.366103|27.454915|0.500000| |17.648853|12.324953|0.225476|7.157234|5.569309|4.694852|3.492963|4.163839|2.718898|3.291263|2.178933|1.926695|1.764954|1.783117|1.971693|2.207039|18.502392|12.657424|3.112048|5.767321|2.747055|0.075271|2.280105|2.021508|2.068470|2.377696|3.847615|24.822392|5.585554|7.782691|3.478294|3.175628|2.977851|3.073492|24.435874|0.298314|0.500000| |17.708141|12.228455|0.221204|5.615291|7.025656|6.785918|4.675614|5.608711|3.496458|4.150825|2.641655|2.285443|2.040010|2.034887|2.265808|2.621431|22.432214|14.071699|4.344524|8.248835|3.619390|0.096721|2.871282|2.456920|2.508025|2.929401|5.039739|33.324882|6.836308|11.803870|4.520346|3.773858|3.417222|3.645031|32.293645|0.301083|0.299008|0.500000| |6.986103|12.344884|0.181571|17.645582|7.057287|4.562145|3.703342|4.037097|2.576878|3.039349|2.019781|1.770636|1.635517|1.676923|1.878877|2.092639|18.169121|11.996171|2.844861|4.845376|2.669316|0.078279|2.205266|1.997171|1.995350|2.309225|3.627948|23.132427|5.724174|7.139948|2.878555|2.684699|2.389618|2.338957|18.438779|0.211006|0.172402|0.143071|0.500000| |5.621343|12.297401|0.225602|17.651905|7.038298|4.787714|3.771303|4.068285|2.693355|3.136855|2.129720|1.851849|1.731156|1.809655|2.060917|2.273625|20.140647|12.996912|2.733585|4.658545|2.486675|0.072778|2.104178|1.881290|1.839951|2.069977|3.253685|19.608819|4.710186|6.045647|2.458427|2.261594|2.059328|2.066089|16.462989|0.143462|0.146254|0.125880|0.299121|0.500000| |7.224330|12.295104|0.222153|17.648757|5.584293|4.145256|3.228732|3.674683|2.438742|2.914366|1.974398|1.744090|1.627846|1.679505|1.877588|2.062749|17.599000|12.117823|2.591512|4.568905|2.358287|0.067243|1.997384|1.798541|1.799777|2.038722|3.196829|19.806668|4.735499|6.022271|2.609580|2.442294|2.261192|2.267408|17.665980|0.178543|0.222191|0.145843|0.299210|0.299305|0.500000| |5.623957|12.392563|0.214570|7.570172|17.611788|8.799401|6.711243|6.109026|3.783248|4.136810|2.703698|2.261993|2.062356|2.147913|2.505545|2.892144|27.824958|14.918393|3.818064|6.133454|3.390324|0.102844|2.749803|2.376438|2.262160|2.568891|4.199544|24.905515|5.792339|8.250026|2.881259|2.532564|2.236255|2.260367|18.949266|0.146530|0.126721|0.141863|0.192259|0.229619|0.149403|0.500000| |7.328927|12.420089|0.182725|6.754172|17.651895|8.803965|6.993001|6.582307|3.755815|4.199531|2.639103|2.232298|1.995397|2.019833|2.297467|2.684815|24.630006|13.945509|4.555115|7.250784|4.171432|0.126572|3.152677|2.724697|2.667715|3.187387|5.419706|35.589085|8.153889|13.305963|3.832071|3.278711|2.771959|2.757566|23.662655|0.219471|0.146478|0.186074|0.202116|0.163511|0.140901|0.300365|0.500000| |6.771448|9.542722|0.190765|4.569743|8.857942|17.659338|8.931869|10.120293|5.690590|6.079180|3.631568|2.946068|2.545333|2.543663|2.931193|3.607615|33.849402|16.880404|7.017612|12.344235|4.929651|0.131846|3.738991|2.977170|2.877556|3.290293|6.001468|35.139722|6.865017|13.559068|4.144715|3.298385|2.921501|3.141030|29.650780|0.159762|0.143170|0.247295|0.117217|0.115936|0.110308|0.173438|0.208780|0.500000| |5.229086|9.241551|0.214827|4.726395|8.847383|17.547108|8.774737|8.860888|5.896873|5.956717|3.829716|3.026642|2.694336|2.818831|3.413018|4.188033|44.682128|18.697482|5.032329|8.443561|3.826434|0.107952|3.160382|2.572893|2.411182|2.650182|4.504368|24.951007|5.320933|8.374032|3.010501|2.542833|2.307373|2.446741|21.547006|0.122612|0.121313|0.159300|0.114503|0.132004|0.112111|0.214554|0.173191|0.302423|0.500000| |3.669691|5.978839|0.119242|3.611494|6.475959|8.727462|17.610100|12.490974|7.152908|6.657668|4.078993|3.152499|2.756627|2.856899|3.470541|4.393320|50.221486|18.715574|5.702153|8.055061|4.787767|0.152021|3.932327|3.151688|2.777211|3.023317|5.071498|26.060953|5.768244|8.237849|2.888528|2.448672|2.159184|2.228155|19.466598|0.097316|0.086153|0.107358|0.096780|0.103537|0.084894|0.185168|0.160959|0.175079|0.218308|0.500000| |4.257298|6.462955|0.119056|3.816040|7.365143|8.847081|17.650145|12.624441|5.751178|5.939545|3.469587|2.808995|2.422976|2.420131|2.790986|3.441702|33.217213|16.118739|7.366329|9.575072|6.767401|0.236556|4.687917|3.738497|3.382732|3.947815|7.090433|38.087509|8.184377|13.085658|3.750967|3.076111|2.597406|2.637193|23.652979|0.119441|0.095609|0.126192|0.107689|0.102897|0.088923|0.180223|0.225068|0.203296|0.174556|0.304904|0.500000| |2.012086|2.772510|0.058398|1.771184|2.237129|2.717351|2.985894|5.154888|4.821275|9.503503|8.913186|17.746166|8.904600|5.629875|4.901499|5.647308|28.838402|31.548226|3.699200|6.789494|3.202421|0.080933|3.705556|3.040062|2.659696|2.440180|3.706589|16.621361|3.612689|4.354610|2.207115|1.920049|1.843314|2.021152|17.223980|0.053155|0.052014|0.061897|0.047381|0.048785|0.046484|0.059162|0.059748|0.078243|0.077233|0.080651|0.074951|0.500000| |1.716344|2.403178|0.051253|1.572062|1.899795|2.232704|2.376320|3.778817|3.428385|5.655157|5.660259|8.936003|17.754529|8.921296|5.633869|4.992964|24.414951|54.053471|2.609518|4.727953|2.318505|0.061002|2.548025|2.217161|1.986642|1.863510|2.771478|13.007078|2.908998|3.432736|1.742719|1.556123|1.509367|1.635591|13.421127|0.045128|0.045179|0.051657|0.041762|0.043923|0.041659|0.051420|0.050143|0.062685|0.065330|0.066529|0.059810|0.213947|0.500000| |2.065064|3.082523|0.067634|2.018080|2.482153|2.953960|3.097532|4.540268|4.281729|5.756006|5.586444|4.902263|5.614051|8.916756|17.755793|8.835971|43.903378|53.897592|2.785017|4.815344|2.390124|0.066050|2.412125|2.057706|1.839693|1.821866|2.792885|13.740678|3.097526|3.829938|1.772115|1.575985|1.497469|1.596021|13.194603|0.053180|0.053998|0.060904|0.052332|0.058425|0.052633|0.070005|0.062559|0.077430|0.093230|0.093576|0.074007|0.106699|0.124093|0.500000| |2.537480|3.345896|0.066493|2.099780|2.824261|3.385778|4.038524|7.480110|4.977520|7.729256|4.180625|3.800187|2.985621|2.641783|2.745827|3.355716|24.307921|17.158196|7.594007|12.381738|8.868378|0.174907|17.579625|8.908407|7.005587|5.758541|9.237196|31.294054|6.349389|7.342587|3.833410|3.104091|2.783271|2.996736|27.816477|0.070401|0.062874|0.079500|0.058359|0.056008|0.053975|0.071457|0.081199|0.101972|0.085358|0.098455|0.112877|0.116972|0.076055|0.067663|0.500000| |2.473354|3.401248|0.067433|2.156608|2.984937|3.584140|4.710356|8.879959|5.836976|8.462748|4.538412|3.910348|3.102201|2.819305|3.012146|3.753469|28.200981|18.131251|7.174779|9.799242|8.900268|0.221466|17.585721|8.791432|5.546457|4.898655|7.638112|28.208110|6.060285|6.988690|3.217775|2.681600|2.372043|2.479042|22.107212|0.068700|0.060840|0.075650|0.060092|0.058577|0.054591|0.077640|0.085501|0.101408|0.090533|0.120041|0.132589|0.113752|0.077423|0.074499|0.303392|0.500000| |2.029299|2.711359|0.053393|1.774554|2.270157|2.546160|3.027023|4.928434|3.350474|4.929448|3.030747|2.895702|2.431907|2.189134|2.237146|2.590549|18.621514|14.834700|4.188081|6.687197|5.459490|0.137300|8.898934|17.570280|8.814584|5.533326|6.639118|24.502805|5.624410|5.488742|3.005718|2.632643|2.358786|2.415895|20.334568|0.057514|0.051049|0.061087|0.050150|0.047827|0.045764|0.059368|0.066321|0.073253|0.064978|0.078371|0.088385|0.087910|0.063865|0.056436|0.216395|0.212289|0.500000| |2.217332|2.989589|0.057847|1.965357|2.567623|2.818560|3.466687|5.387550|3.421114|4.684333|2.844031|2.607020|2.223455|2.066527|2.170437|2.529189|19.200472|14.074400|4.500325|6.728060|6.687165|0.191304|8.810292|17.513705|8.842717|6.936953|7.946068|28.969520|6.947031|6.371838|3.258722|2.847013|2.451419|2.441567|20.594277|0.063938|0.054989|0.065947|0.056363|0.052936|0.050014|0.067342|0.076951|0.079606|0.070161|0.089460|0.106954|0.076013|0.057612|0.055674|0.173708|0.211588|0.303004|0.500000| |2.272600|2.901998|0.056644|1.878244|2.364818|2.625141|2.941894|4.692287|3.073043|4.435482|2.700447|2.572152|2.173802|1.967825|2.016204|2.328493|17.028948|13.458398|4.438793|7.759426|5.749014|0.129548|7.001881|8.853880|17.549791|8.872845|9.310228|31.993426|7.000029|6.493907|4.289698|3.682475|3.279865|3.385963|28.993319|0.065177|0.057216|0.069627|0.053322|0.049478|0.048937|0.060007|0.070197|0.079079|0.065821|0.072913|0.086734|0.078182|0.057341|0.051231|0.210483|0.142081|0.212609|0.173413|0.500000| |2.078275|2.691492|0.052046|1.782570|2.205708|2.368322|2.684223|4.078883|2.656370|3.720461|2.325371|2.209692|1.913598|1.763119|1.814422|2.065441|15.307427|12.254202|3.598759|5.986283|4.815997|0.122109|5.545350|8.794686|17.559442|8.983375|7.614080|28.763665|7.037118|5.793713|3.657069|3.340519|2.910774|2.847120|22.936476|0.060549|0.052438|0.062038|0.051301|0.047226|0.046288|0.056947|0.066378|0.069305|0.059351|0.068081|0.081285|0.065787|0.050653|0.046730|0.142371|0.123284|0.210147|0.212332|0.302285|0.500000| |2.653294|3.289244|0.062256|2.145710|2.667508|2.808792|3.057455|4.483209|2.776248|3.738664|2.297392|2.126957|1.843735|1.725125|1.806400|2.074482|15.923409|11.969088|4.200415|7.200298|5.588243|0.136470|4.941846|5.548611|8.875400|17.626009|12.449908|50.549647|12.224319|8.351126|6.610205|5.851212|4.490399|4.162114|34.347013|0.079565|0.065950|0.080075|0.062537|0.055396|0.055679|0.066606|0.082913|0.085005|0.068222|0.074363|0.095075|0.062168|0.048293|0.046887|0.130281|0.108351|0.123783|0.140992|0.216811|0.214021|0.500000| |2.614459|3.375009|0.063386|2.221944|2.850970|2.974364|3.428219|4.922805|2.967655|3.899086|2.381342|2.168376|1.881340|1.777870|1.883233|2.175428|17.049387|12.295949|4.399362|6.883916|6.588426|0.183519|5.651563|6.847243|8.872737|17.569525|12.269831|47.188103|13.005633|8.471472|4.850728|4.273536|3.355455|3.151046|26.277055|0.078670|0.064121|0.077365|0.065392|0.058164|0.056596|0.072490|0.090034|0.086538|0.071511|0.084436|0.111589|0.062516|0.048893|0.049079|0.131518|0.126506|0.140524|0.203950|0.174012|0.218909|0.302862|0.500000| |3.269225|3.746554|0.068974|2.504732|2.820017|2.744031|2.700643|3.637186|2.281223|2.969366|1.889843|1.742324|1.553794|1.490693|1.575541|1.775529|13.910810|10.551111|3.172791|5.727736|3.501170|0.092110|2.922470|2.910936|3.509297|4.662508|6.380222|45.930928|13.088364|8.446987|8.919633|17.768162|8.571672|5.738413|37.541852|0.104795|0.082962|0.095126|0.074953|0.062128|0.066607|0.069115|0.089685|0.084121|0.066617|0.065848|0.083114|0.049690|0.040749|0.041736|0.079447|0.070966|0.070705|0.078498|0.095367|0.091949|0.159497|0.123271|0.500000| |2.786790|3.160917|0.060356|2.122902|2.273355|2.268787|2.171717|2.999921|1.972247|2.634989|1.718495|1.621155|1.461139|1.393733|1.450529|1.608913|12.232450|9.977584|2.578057|4.916524|2.663970|0.068421|2.372056|2.336516|2.764776|3.237465|4.481605|27.545820|6.676041|5.885245|5.739613|8.606764|17.765470|8.890857|37.576682|0.084051|0.074920|0.082284|0.061395|0.053010|0.058462|0.056335|0.068459|0.070350|0.057245|0.053825|0.063655|0.046591|0.038776|0.038390|0.067551|0.058593|0.059246|0.061400|0.080087|0.073295|0.106610|0.082417|0.200596|0.500000| 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