Version2.1 2021-01-07T17:17:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1S(=O)(=O)N2CCCCCC2)C(=O)NC[C@H](c3cccs3)[NH+]4CCCC4 C32761145 RHF 6-31G(d) (6D,7F) COc1ccc(cc1S(=O)(=O)N2CCCCCC2)C(=O)NC[C@H](c3cccs3)[NH+]4CCCC4 C01[X(C24H34N3O4S2)] 195 C1 571 COc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 COc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 COc1ccc(cc1[S](=O)(=O)N2CCCCCC2)C(=O)NC[C@@H]([NH+]3CCCC3)c4sccc4 InChIKey=SGSBAYRKIHMEHY-HXUWFJFHSA-O InChI=1S/C24H33N3O4S2/c1-31-21-11-10-19(17-23(21)33(29,30)27-14-4-2-3-5-15-27)24(28)25-18-20(22-9-8-16-32-22)26-12-6-7-13-26/h8-11,16-17,20H,2-7,12-15,18H2,1H3,(H,25,28)/p+1/t20-/m1/s1 InChI=1/C24H33N3O4S2/c1-31-21-11-10-19(17-23(21)33(29,30)27-14-4-2-3-5-15-27)24(28)25-18-20(22-9-8-16-32-22)26-12-6-7-13-26/h8-11,16-17,20H,2-7,12-15,18H2,1H3,(H,25,28)/p+1/t20-/m1/s1/fC24H34N3O4S2/h25-26H/q+1 COc1ccc(cc1S(=O)(=O)N2CCCCCC2)C(=O)NC[C@H](c3cccs3)[NH+]4CCCC4 C01[X(C24H34N3O4S2)] 195 C01 571 COc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 CO[C]1[CH][CH][C]([CH][C]1[S@]([O])(=O)N1CCCCCC1)C(=O)NC[C@H](C1=[CH][CH]=CS1)[NH]1CCCC1 CO[C]1[CH][CH][C]([CH][C]1[S]([O])(=O)N2CCCCCC2)C(=O)NC[C@@H]([NH]3CCCC3)c4sccc4 InChIKey=PIUAKMZUVOAYHE-HXUWFJFHSA-N InChI=1S/C24H34N3O4S2/c1-31-21-11-10-19(17-23(21)33(29,30)27-14-4-2-3-5-15-27)24(28)25-18-20(22-9-8-16-32-22)26-12-6-7-13-26/h8-11,16-17,20,26H,2-7,12-15,18H2,1H3,(H,25,28)/t20-/m1/s1 InChI=1/C24H34N3O4S2/c1-31-21-11-10-19(17-23(21)33(29,30)27-14-4-2-3-5-15-27)24(28)25-18-20(22-9-8-16-32-22)26-12-6-7-13-26/h8-11,16-17,20,26H,2-7,12-15,18H2,1H3,(H,25,28)/t20-/m1/s1/f/h25H 3881.9516437820 -2186.170132 1-A 25483.8890 131 440 571 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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| 11.1492 15.1343 19.2282 30.7624 35.9610 39.0420 41.6177 50.1628 61.1324 71.5580 84.2003 94.2218 102.2569 112.0026 124.3222 137.5942 159.0377 168.0511 176.0328 190.2088 216.9626 249.0692 261.7470 265.3933 279.8021 285.4737 298.0597 313.4148 321.8531 331.6105 342.9912 356.8732 371.2855 373.4182 392.1043 398.2752 422.6796 449.8146 487.1433 492.6150 499.1643 505.3725 523.9822 543.6352 578.0736 580.8135 596.9662 614.2365 639.7755 642.2045 646.4042 652.2551 659.9214 696.0456 710.0301 710.9667 747.6903 799.9554 802.4760 815.0915 822.3284 828.8791 834.8001 863.1510 866.2241 893.0741 916.3399 919.7103 923.4309 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3240.3314 3245.4089 3248.6222 3252.6084 3262.7772 3275.2163 3285.2762 3292.8488 3297.1497 3303.9316 3308.1471 3313.1314 3327.0180 3340.6428 3355.0832 3359.4454 3362.5962 3371.8931 3380.9984 3392.9338 3419.1864 3421.6760 3443.9162 3453.0913 3721.3393 3900.1823 5.3113 4.6829 4.9464 3.5331 3.8398 3.9891 3.7291 5.2066 4.2993 4.9753 3.9703 3.7876 4.8872 4.5400 4.5994 2.8744 5.2904 6.3982 2.6331 4.0139 4.5286 2.3714 1.9303 2.6892 2.3035 3.1995 4.3524 2.2271 3.9242 3.9195 4.5045 4.4405 3.3804 4.4991 4.8280 3.6351 2.1836 3.6015 1.4988 2.9707 4.5444 3.1224 2.4391 4.9335 3.1487 2.8706 3.5329 2.3034 3.5999 4.8388 4.7855 4.6295 3.9166 5.3674 4.3593 4.1780 3.7369 3.6348 5.9986 1.4886 3.0621 1.1760 3.1468 4.6306 4.1159 2.1405 3.2623 2.7697 2.8658 1.8015 2.0710 1.6022 3.8990 2.0205 2.3761 1.6081 1.8362 2.2262 1.9239 2.3037 1.4838 1.9077 2.0731 1.4386 2.1146 2.8592 1.4084 1.7779 2.0137 2.3237 2.5504 2.1704 3.8558 3.2649 2.3233 1.7608 1.2525 1.5505 1.9618 6.9233 2.0932 2.8582 1.2632 2.5131 2.0463 2.8664 1.2874 1.4636 1.3780 1.8233 1.6324 1.3282 1.2886 1.8133 1.2819 1.2227 1.4634 1.2622 1.9327 1.1547 4.0455 3.7320 1.2479 1.3992 1.3134 1.2670 1.3517 1.4398 1.3027 1.5448 1.4156 1.4385 1.4259 1.3579 1.3908 1.2953 2.9980 1.3771 1.3702 1.2287 1.3061 1.0919 1.0778 1.6131 1.6432 1.0941 1.1582 1.0936 1.2020 1.0534 1.0922 1.0635 1.0902 1.0975 1.8188 1.1267 2.2997 6.1644 5.4291 5.1843 9.3477 1.0701 1.0718 1.0669 1.0669 1.0774 1.0336 1.0909 1.0713 1.0664 1.0982 1.0658 1.0957 1.0995 1.0619 1.1035 1.0641 1.0772 1.1088 1.0932 1.0982 1.1020 1.0915 1.0933 1.1037 1.1140 1.0912 1.1058 1.0942 1.0938 1.0934 1.0923 1.1007 1.0785 1.0793 0.0004 0.0006 0.0011 0.0020 0.0029 0.0036 0.0038 0.0077 0.0095 0.0150 0.0166 0.0198 0.0301 0.0336 0.0419 0.0321 0.0788 0.1065 0.0481 0.0856 0.1256 0.0867 0.0779 0.1116 0.1063 0.1536 0.2278 0.1289 0.2395 0.2539 0.3122 0.3332 0.2746 0.3696 0.4373 0.3397 0.2299 0.4293 0.2096 0.4247 0.6671 0.4698 0.3946 0.8591 0.6199 0.5706 0.7418 0.5120 0.8681 1.1758 1.1781 1.1604 1.0050 1.5321 1.2949 1.2443 1.2308 1.3704 2.2760 0.5827 1.2200 0.4760 1.2921 2.0326 1.8196 1.0059 1.6139 1.3803 1.4398 0.9231 1.0670 0.8398 2.1040 1.1570 1.3747 0.9439 1.0836 1.3859 1.2026 1.5316 0.9955 1.2908 1.4245 1.0019 1.5063 2.0595 1.0277 1.3355 1.5209 1.7731 1.9623 1.6763 3.0275 2.7251 1.9590 1.5312 1.0938 1.3726 1.7483 6.3850 1.9926 2.7379 1.2406 2.5119 2.0497 2.9224 1.3171 1.5137 1.4380 1.9399 1.7905 1.4685 1.4480 2.0553 1.4620 1.4067 1.7376 1.5017 2.3284 1.4085 5.0543 4.7202 1.5859 1.7865 1.7276 1.6743 1.8072 1.9332 1.7642 2.1111 1.9565 1.9949 1.9983 1.9069 1.9621 1.8386 4.2972 1.9812 1.9830 1.8347 2.0357 1.7078 1.6949 2.5475 2.5993 1.7337 1.8389 1.7415 1.9171 1.6902 1.7587 1.7154 1.7649 1.7854 2.9899 1.8600 3.9024 11.2456 10.0127 9.8791 20.1006 6.3810 6.4424 6.4322 6.4808 6.5809 6.3514 6.7325 6.6121 6.5968 6.8150 6.6268 6.8299 6.8963 6.7117 7.0172 6.7977 6.8996 7.1310 7.0488 7.1024 7.1867 7.1768 7.2512 7.3388 7.4215 7.3095 7.4474 7.4218 7.5344 7.5422 7.6333 7.7326 8.7997 9.6733 0.3430 2.0644 2.1995 1.1424 1.9850 0.9479 1.9399 1.5476 2.2520 2.3961 0.7951 1.2538 2.3063 4.3757 3.3276 1.3910 2.9829 6.6239 1.7815 0.7083 3.2478 1.9230 2.1096 4.2256 5.1586 0.1397 1.0504 3.0447 5.7137 1.6251 1.5724 4.1686 21.9769 6.0818 0.4250 4.5734 7.0973 17.3839 52.3903 5.5707 14.5045 18.3763 2.7028 12.1885 10.9885 28.5688 7.3951 5.1062 58.4452 66.1514 66.8637 61.6667 12.5925 15.0180 3.2253 21.2123 68.4805 50.4132 8.5605 2.4211 1.8895 76.6112 54.3613 23.7097 33.1536 12.7729 11.3640 0.5505 12.8241 35.0414 8.2206 17.1734 15.7814 34.6585 0.9884 25.9190 2.2274 29.0091 73.0287 45.0931 5.6380 36.3176 11.5566 1.1431 56.3765 27.2059 12.8099 3.7908 3.0953 30.5140 17.1563 42.0911 87.5505 102.8958 10.2728 68.4526 3.7677 15.3150 12.1957 150.6199 80.3321 30.9610 3.6599 12.7800 30.4727 24.2286 14.2359 7.5594 7.7832 8.6869 58.8045 22.1671 25.1285 370.2397 1.9525 29.7382 56.3206 6.3750 203.0210 3.7196 37.6223 361.5944 0.4865 0.9695 9.6364 4.7992 2.2505 39.6134 15.1729 3.4071 4.1537 6.5332 37.6870 25.9937 12.7708 1.7813 46.3373 12.5349 64.4922 63.6010 82.9847 1.7942 1.5122 11.7185 25.8856 2.8786 13.6792 6.6422 11.4337 19.2293 11.7034 40.7564 6.1941 6.4903 325.9435 3.2482 150.4773 62.5395 4.7691 309.5417 324.4366 28.1978 28.2591 28.1613 25.5024 11.3873 41.7349 76.8699 15.2995 19.0958 64.8483 13.7614 78.0632 5.1142 17.6401 62.6046 6.6825 3.4906 32.8044 2.7840 15.5239 12.6735 1.9117 6.4031 19.6846 6.4519 15.3743 2.0777 4.0212 1.1242 4.6084 9.6205 2.4590 38.7691 46.9780 0.2890 0.3568 1.0827 0.6251 0.5563 2.2027 0.7974 3.6016 0.3395 0.5841 0.1935 1.3609 2.5420 1.1723 0.5479 0.1629 0.6194 1.1619 0.4572 0.7625 0.1772 1.1121 1.1254 1.3463 0.5986 0.3436 5.6585 0.1662 2.0475 1.7758 2.1348 1.3555 1.0016 2.9119 0.7144 1.6450 0.4691 2.2129 1.0066 0.5867 0.7693 3.6331 1.5209 1.0598 0.8705 2.4134 3.4691 1.3981 0.3922 1.0211 1.2820 0.2881 2.4488 4.6878 9.7972 3.3487 18.2271 2.0122 5.6280 1.1429 8.2084 2.3356 5.7461 3.9336 0.4913 2.1679 12.8735 1.1970 2.4930 2.3352 2.8710 3.6010 12.2937 1.9642 7.9632 0.4636 6.9557 2.9776 3.6493 2.6002 3.0810 7.2597 1.5966 1.6479 11.1647 1.9960 1.4266 3.0164 7.3906 10.9093 5.2796 6.3918 2.3288 2.6218 5.1865 3.5874 10.1236 1.4945 1.8006 5.1669 3.1056 29.0384 4.2235 3.6801 5.5225 0.8669 3.7935 2.0186 5.7713 1.0781 20.3241 4.9500 3.8082 50.4575 2.0164 13.4032 19.4973 14.7679 28.7756 9.4127 5.4088 4.3196 1.7745 1.0371 9.2866 2.8689 3.4547 11.2325 6.4689 4.3280 1.1524 0.9608 7.2895 2.4678 2.6827 5.6830 5.2600 3.2751 1.9922 8.4183 7.6581 15.4690 13.2942 64.0748 88.6800 16.6585 11.0487 0.7389 21.3074 18.6394 4.1001 16.6923 4.1350 6.0385 6.5006 4.4677 4.5089 11.2425 12.0457 210.5442 88.0920 53.3348 48.5673 109.1648 93.6275 39.4871 90.8105 102.4643 138.7231 130.7953 96.1709 48.3461 77.9644 59.8808 54.6266 40.9625 76.2316 44.5999 47.3643 153.3988 88.1177 43.0042 28.6978 46.2724 91.2318 46.1131 71.2381 29.0267 62.6559 107.6321 94.0739 24.7964 167.4121 20.4482 31.3651 0.7457 0.7152 0.7214 0.7415 0.7256 0.7496 0.7098 0.7493 0.7252 0.7321 0.7445 0.6832 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0.7400 0.7199 0.7484 0.2641 0.5212 0.2692 0.3495 0.5445 0.2074 0.3781 0.4706 0.0215 0.3115 0.1645 0.0867 0.3246 0.2417 0.2890 0.6524 0.0853 0.6759 0.1699 0.5916 0.7295 0.1189 0.6033 0.6546 0.0718 0.3320 0.5264 0.7468 0.3948 0.5357 0.5040 0.3664 0.2104 0.2201 0.2253 0.2312 0.1768 0.8543 0.8339 0.8382 0.8515 0.8410 0.8569 0.8303 0.8567 0.8407 0.8453 0.8535 0.8118 0.7768 0.7343 0.8520 0.7578 0.3129 0.8320 0.6077 0.4847 0.7824 0.8518 0.5380 0.8249 0.7829 0.3566 0.5961 0.7501 0.3711 0.8489 0.5052 0.4738 0.6930 0.3687 0.8504 0.6813 0.7983 0.6031 0.7960 0.6869 0.6281 0.1542 0.6667 0.6594 0.8360 0.4204 0.5197 0.8511 0.7847 0.8012 0.8444 0.8278 0.7271 0.7587 0.2396 0.2160 0.0661 0.6965 0.8486 0.7070 0.1973 0.8454 0.2807 0.4854 0.7564 0.3316 0.1571 0.4179 0.7676 0.3341 0.6977 0.3914 0.3616 0.8521 0.2097 0.8563 0.2005 0.5230 0.5870 0.6814 0.5266 0.5030 0.7773 0.5811 0.7379 0.8132 0.6390 0.8418 0.8512 0.7525 0.5754 0.8482 0.7973 0.6473 0.8497 0.7044 0.4401 0.7473 0.4335 0.5011 0.7549 0.3998 0.8524 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15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 14.00307 1.00783 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 1.00783 1.00783 1.00783 1.00783 8328.5043 39463.7222 43996.0024 0.99996 -0.00621 -0.00582 0.00619 0.99997 -0.00396 0.00585 0.00392 0.99998 1 0.01040 0.00219 0.00197 0.21669 0.04573 0.04102 16.04 21.77 27.67 44.26 51.74 56.17 59.88 72.17 87.96 102.96 121.15 135.56 147.12 161.15 178.87 197.97 228.82 241.79 253.27 273.67 312.16 358.36 376.60 381.84 402.57 410.73 428.84 450.93 463.07 477.11 493.49 513.46 534.20 537.27 564.15 573.03 608.14 647.18 700.89 708.76 718.19 727.12 753.89 782.17 831.72 835.66 858.90 883.75 920.49 923.99 930.03 938.45 949.48 1001.45 1021.57 1022.92 1075.76 1150.96 1154.58 1172.73 1183.15 1192.57 1201.09 1241.88 1246.30 1284.93 1318.41 1323.26 1328.61 1341.74 1345.46 1357.07 1376.94 1418.44 1425.75 1436.08 1439.95 1478.96 1481.99 1528.35 1535.39 1541.84 1553.81 1564.25 1582.01 1590.86 1601.22 1624.58 1629.00 1637.37 1644.20 1647.31 1660.94 1712.47 1721.22 1747.94 1751.65 1763.61 1769.51 1800.07 1828.84 1834.56 1857.60 1874.00 1875.95 1892.65 1895.93 1906.29 1914.82 1933.42 1963.11 1970.94 1986.99 1995.58 2001.78 2010.58 2042.53 2044.50 2057.40 2070.21 2095.15 2108.04 2113.06 2117.99 2149.76 2154.75 2167.38 2171.94 2181.32 2191.20 2203.60 2207.35 2218.99 2221.26 2226.32 2233.17 2244.13 2248.27 2254.95 2290.51 2340.09 2344.17 2350.54 2355.53 2357.54 2359.52 2361.88 2365.38 2367.25 2374.35 2378.49 2380.52 2384.95 2390.76 2403.24 2408.33 2441.73 2531.72 2545.53 2587.52 2748.66 4577.21 4595.52 4602.50 4619.83 4632.63 4646.61 4656.61 4656.82 4662.11 4669.42 4674.04 4679.78 4694.41 4712.31 4726.78 4737.67 4743.86 4753.62 4759.69 4766.86 4786.84 4806.44 4827.22 4833.49 4838.03 4851.40 4864.50 4881.67 4919.45 4923.03 4955.03 4968.23 5354.18 5611.49 0.613777 0.643986 0.644931 0.547167 -2185.556356 -2185.526146 -2185.525201 -2185.622965 3.279021D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE COc1ccc(cc1S(=O)(=O)N2CCCCCC2)C(=O)NC[C@H](c3cccs3)[NH+]4CCCC4 C32761145 RHF 6-31G(d) (6D,10F) C1 492.199075 |X|Y|Z| 61.388811 35.153238 143.105850 67.593352 28 6 7 16 23 3 2 |36.858105| |13.510390|73.516695| |7.997230|25.581230|36.858105| |6.724832|14.133536|13.684835|36.858105| |4.522381|9.311150|7.927694|13.785006|36.858105| |3.781205|8.218508|6.807284|7.894743|13.731621|36.858105| |3.978721|9.434050|7.908720|6.876321|7.966926|13.660889|36.858105| |5.228252|14.548286|13.559975|7.900414|6.882828|7.896584|13.839793|36.858105| |4.371695|11.395337|6.814049|4.673240|4.185470|4.720655|7.004761|10.663931|388.023441| |4.537124|11.226440|5.954963|4.239195|3.697390|3.947163|5.225639|7.302622|94.889537|73.516695| |3.331049|7.849957|4.926126|3.843607|3.755790|4.552580|6.813812|7.470936|94.544008|13.661412|73.516695| |4.410640|11.017809|5.743285|4.118047|3.589755|3.822368|5.040263|6.973552|83.908204|13.715022|13.674914|53.358707| |4.626366|10.571969|4.812408|3.601227|3.058821|3.102928|3.793794|5.026265|50.253651|11.899817|9.040750|17.663362|36.858105| |3.449193|7.263409|3.528614|2.818137|2.494101|2.569935|3.081075|3.773197|37.646064|9.523294|7.868657|10.337668|12.488047|36.858105| |2.847721|5.903489|3.031593|2.506677|2.287438|2.396581|2.849438|3.316489|31.646905|7.332286|7.392194|8.545644|7.352514|12.418557|36.858105| |2.667395|5.667952|3.069604|2.547223|2.390477|2.590500|3.154922|3.553108|35.107273|7.541382|9.202964|8.849182|5.909069|7.398240|12.392397|36.858105| |2.826779|6.144065|3.462535|2.872582|2.730934|3.015032|3.736611|4.135711|38.875439|7.460417|10.624265|10.214538|5.650762|5.600782|7.302518|12.413493|36.858105| |3.594794|8.249947|4.627307|3.645428|3.342497|3.629299|4.622626|5.553154|50.888475|8.870933|11.677198|17.715685|7.579781|5.914132|6.268415|7.336952|12.413770|36.858105| |2.927905|6.046273|4.450459|5.016285|7.513316|12.841152|7.743690|5.090878|26.240321|5.639782|6.829286|4.202840|2.562768|2.210261|2.112978|2.313740|2.676176|3.048766|36.858105| |2.596674|5.386884|3.805971|3.999067|5.277081|8.060950|6.782975|4.557896|25.587065|5.408449|7.106412|4.125339|2.487599|2.188436|2.134165|2.390817|2.793046|3.079541|15.776357|73.516695| |2.679668|5.282126|3.734241|4.430094|6.505290|7.791339|5.187218|3.939387|21.260223|4.779488|5.403568|3.507980|2.219736|1.937888|1.849333|1.990023|2.252760|2.532576|13.927234|15.216301|53.358707| |2.230727|4.337436|2.934403|3.319382|4.360019|5.064376|3.941708|3.125145|18.062239|4.115745|4.708961|3.024224|1.937687|1.730552|1.672064|1.807778|2.025876|2.210607|7.905227|12.746191|17.987732|36.858105| |2.050817|3.968113|2.638539|2.944830|3.734737|4.251047|3.460484|2.805005|16.583215|3.727082|4.359877|2.866039|1.838118|1.651874|1.621852|1.759226|1.992895|2.154026|6.137613|11.205101|10.625262|12.330226|36.858105| |2.154405|4.229352|2.838750|3.132614|3.994646|4.730617|3.874359|3.073898|18.049570|3.968130|4.797355|3.134648|1.980482|1.770785|1.750516|1.915749|2.207979|2.395114|7.004027|13.885952|10.256761|8.896764|17.675813|0.500000| |1.983734|3.750521|2.456050|2.799116|3.475510|3.655966|2.978236|2.517767|14.903703|3.385962|3.825882|2.633981|1.718206|1.542426|1.512252|1.616290|1.821168|1.980571|4.699189|7.961002|8.232608|7.490725|12.690517|0.250304|36.858105| |2.029393|3.807694|2.477573|2.842971|3.468764|3.526897|2.896428|2.498880|14.753595|3.329140|3.744338|2.664409|1.744000|1.557896|1.533289|1.628910|1.849112|2.027346|4.239972|7.110677|6.854563|5.281952|7.490042|0.199415|14.136334|36.858105| |1.886057|3.464141|2.207059|2.534045|2.979256|2.915400|2.448418|2.180248|13.067003|2.995803|3.276537|2.385646|1.589707|1.427772|1.402108|1.472207|1.650317|1.803589|3.318322|5.522168|5.315505|4.058764|5.045031|0.130357|8.192460|13.266287|36.858105| |1.766511|3.228533|2.045158|2.337670|2.733118|2.680435|2.264500|2.022039|12.231020|2.841271|3.071085|2.211932|1.483337|1.340918|1.311529|1.375064|1.523851|1.653449|3.071058|5.113790|5.057702|4.060376|4.813723|0.116225|7.677951|8.245031|14.184278|36.858105| |1.787652|3.313970|2.124791|2.414152|2.890950|2.934695|2.454926|2.141443|12.928509|3.006741|3.287364|2.289961|1.522131|1.378920|1.345458|1.423356|1.574521|1.699563|3.547810|5.952981|6.173592|5.608609|6.686346|0.141530|10.932376|7.456562|7.455955|11.032549|388.023441| |1.788042|3.451339|2.242903|2.425423|2.934628|3.337174|2.905226|2.409857|14.866915|3.372132|3.978815|2.582706|1.668579|1.526308|1.512718|1.650224|1.850529|1.950741|4.484588|8.870836|6.930746|7.537615|12.503710|0.255097|7.655654|5.333860|4.092392|4.106107|40.523795|53.358707| |1.703814|3.255233|2.097983|2.278458|2.728750|3.026575|2.637786|2.225633|13.802706|3.176603|3.658451|2.397794|1.565897|1.437348|1.418085|1.535605|1.702717|1.793612|3.937108|7.440813|6.313182|6.963568|9.237461|0.182574|7.122096|4.874930|4.001923|4.275992|45.836354|25.764356|0.500000| |1.647255|3.161132|2.022592|2.165007|2.549225|2.839120|2.540751|2.160210|13.580228|3.070201|3.634349|2.415703|1.569981|1.446433|1.450575|1.581801|1.778843|1.855687|3.580300|7.080003|5.238285|4.867346|7.450364|0.194316|6.385364|5.219167|4.127828|4.006668|35.136831|16.952688|0.256813|36.858105| |1.582801|3.065529|1.947753|2.034800|2.354548|2.673161|2.486554|2.119293|13.668561|3.074468|3.735837|2.435277|1.575262|1.466741|1.486863|1.641704|1.847846|1.889370|3.305730|6.856877|4.541678|4.015338|5.328257|0.154088|4.381022|3.856177|3.166120|3.042262|25.351326|10.654757|0.171892|12.479875|36.858105| |1.582454|3.078680|1.959390|2.032248|2.354172|2.713038|2.547408|2.154769|14.007438|3.179281|3.869752|2.446845|1.581352|1.478675|1.489813|1.651345|1.837920|1.869904|3.399164|7.174966|4.665444|4.271791|5.105781|0.140216|3.951144|3.338249|2.788138|2.762472|23.949603|10.772284|0.185243|7.942741|12.487059|36.858105| |1.770929|3.465590|2.248406|2.365253|2.823565|3.330979|3.026834|2.483692|15.680877|3.549038|4.312902|2.683706|1.719720|1.586803|1.578817|1.746053|1.952168|2.024823|4.469162|9.637677|6.301769|6.367216|7.445239|0.193095|4.921523|3.884941|3.123589|3.105361|28.403667|17.019164|0.256409|7.781685|8.010400|12.528118|36.858105| |17.589526|16.419138|6.945284|6.687379|4.551978|3.697903|3.750291|4.686202|27.264335|6.704201|5.411040|5.463342|4.128150|3.138841|2.687014|2.525435|2.727719|3.476939|2.896608|4.553101|3.647902|2.228272|2.079520|0.060875|2.041916|2.123076|1.985172|1.840839|13.041714|2.451126|0.047593|1.672119|1.596474|1.578713|1.761724|0.500000| |17.597993|16.434583|7.089278|6.742642|4.612555|3.763271|3.825363|4.794545|28.020196|7.525399|5.504186|5.088133|3.834353|3.013452|2.520194|2.397242|2.517995|3.095888|2.941285|4.573899|3.745510|2.286417|2.067216|0.059542|2.004208|2.029857|1.896973|1.796335|13.006455|2.448774|0.047978|1.642311|1.568021|1.578245|1.777499|0.297992|0.500000| |17.679308|16.992197|5.906635|4.912889|3.628771|3.183711|3.418484|4.417437|29.212519|7.897053|5.590007|5.911205|4.985315|3.749842|3.003074|2.718780|2.798062|3.494973|2.552323|4.114929|3.189467|1.994152|1.848553|0.053850|1.788093|1.827115|1.708850|1.607347|11.550201|2.226350|0.043400|1.518362|1.470079|1.471547|1.629760|0.299884|0.299969|0.500000| |7.486439|12.637491|8.879081|17.782599|8.971208|5.643983|4.959069|5.620442|27.425096|6.500310|5.705282|4.869187|3.300771|2.619588|2.326030|2.315355|2.566423|3.199431|4.090992|5.947060|5.246819|2.989715|2.688627|0.078165|2.635407|2.711750|2.485765|2.301869|16.564930|3.039284|0.058933|2.014512|1.880188|1.867216|2.149470|0.226800|0.221562|0.146242|0.500000| |3.938236|7.525749|5.665373|9.029417|17.715312|8.866493|5.641223|4.957671|24.075589|5.467158|5.537174|4.088569|2.636270|2.198997|2.037526|2.116189|2.393616|2.855288|6.832725|8.564417|9.706015|4.693089|4.009472|0.115551|3.906488|3.929803|3.406524|3.122722|23.262867|4.168181|0.080026|2.647914|2.381746|2.360569|2.843594|0.113447|0.114077|0.089551|0.219715|0.500000| |3.327811|7.623495|5.643177|4.959141|5.662534|8.907255|17.786669|9.000883|48.154641|8.833630|14.534987|6.564359|3.587502|3.035673|2.882372|3.317325|3.963821|4.612341|7.221118|13.485265|6.541609|3.902661|3.476940|0.109414|2.904794|2.784643|2.339937|2.175789|16.982919|4.102061|0.075218|2.636518|2.649889|2.756644|3.265868|0.087317|0.088946|0.082322|0.107719|0.123935|0.500000| |4.774497|10.255745|4.599939|3.565551|2.999764|2.970951|3.506593|4.523192|38.979217|8.950222|7.485939|12.603640|17.551723|8.826167|6.551798|5.126047|5.207449|7.216287|2.462967|4.226130|2.933946|1.880727|1.803891|0.054077|1.706646|1.752743|1.606565|1.489905|10.747493|2.220341|0.042521|1.547113|1.544700|1.534690|1.662739|0.124259|0.106379|0.144906|0.092965|0.072711|0.090834|0.500000| |5.522942|12.715694|5.269653|3.853290|3.177628|3.153241|3.810107|5.194051|49.542854|14.060722|8.452004|12.481959|17.694371|8.879332|5.440441|4.603801|4.400128|5.627655|2.571665|4.363299|3.062064|1.952421|1.826780|0.054163|1.711736|1.728320|1.582470|1.485808|10.871717|2.248516|0.043316|1.541476|1.535511|1.550488|1.698050|0.127922|0.126387|0.173071|0.099106|0.075874|0.097808|0.303203|0.500000| |3.355017|6.694802|3.183475|2.605460|2.292088|2.316598|2.699747|3.262313|30.044920|7.918109|6.343629|7.608092|8.989818|17.509009|8.844395|5.451410|4.360453|4.617497|2.006140|3.506568|2.432142|1.602574|1.531931|0.045322|1.443924|1.462454|1.352428|1.273487|9.260611|1.929702|0.037276|1.347665|1.360696|1.368883|1.464438|0.085185|0.081612|0.104827|0.068769|0.056880|0.073101|0.218705|0.214929|0.500000| |3.263482|6.902617|3.424555|2.739546|2.452093|2.557502|3.092439|3.750317|39.262704|10.835131|8.382542|9.156581|8.915311|17.540565|8.865911|6.885059|5.056085|5.094325|2.213798|3.912355|2.640940|1.740630|1.646520|0.048799|1.526513|1.527297|1.397746|1.321123|9.742930|2.081513|0.040101|1.440231|1.464909|1.491470|1.603485|0.081077|0.081443|0.097555|0.070267|0.059991|0.085881|0.174257|0.219820|0.303510|0.500000| |2.843463|5.789889|2.964895|2.486297|2.262335|2.342242|2.736489|3.165641|28.321768|6.424767|6.562659|7.826288|6.724056|8.782897|17.484044|8.763316|6.937297|6.331099|2.066631|3.697230|2.474229|1.641805|1.607379|0.048324|1.511364|1.546729|1.418827|1.319898|9.545053|2.034115|0.038873|1.443358|1.474604|1.463114|1.545961|0.076225|0.069110|0.083301|0.064694|0.056334|0.075959|0.193914|0.138131|0.209906|0.173204|0.500000| |2.516321|5.073559|2.616484|2.210411|2.034417|2.124608|2.482036|2.828165|26.129412|6.323798|6.256311|6.390801|5.468761|8.953090|17.545678|8.888746|5.479823|4.642854|1.902109|3.424310|2.292644|1.539010|1.494336|0.044520|1.397163|1.412829|1.299582|1.221825|8.913933|1.913277|0.036766|1.352074|1.389593|1.396115|1.469548|0.066034|0.062883|0.074207|0.057557|0.050909|0.070097|0.138877|0.124096|0.221737|0.213534|0.304920|0.500000| |2.318805|4.801878|2.628175|2.242581|2.135970|2.314631|2.752706|2.999080|27.844695|6.158136|7.533216|6.487393|4.464858|5.516766|8.847454|17.541922|8.951127|5.475506|2.115231|3.924049|2.502121|1.693355|1.662341|0.050184|1.529948|1.541497|1.397891|1.308156|9.619862|2.146892|0.040817|1.525113|1.595883|1.603181|1.674107|0.061611|0.058599|0.065596|0.057136|0.053238|0.081123|0.113007|0.102002|0.124856|0.147097|0.200625|0.228569|0.500000| |2.684006|5.767638|3.148775|2.589729|2.440406|2.676049|3.315406|3.735262|39.459323|8.720316|10.823859|8.825457|5.740549|7.172127|8.871402|17.548175|8.866756|6.330900|2.389846|4.400188|2.786285|1.861074|1.788620|0.053847|1.629388|1.625347|1.465726|1.377584|10.233969|2.289423|0.043570|1.596470|1.659131|1.689738|1.796733|0.069352|0.067919|0.075753|0.064876|0.059685|0.098416|0.129915|0.131354|0.145099|0.219339|0.173976|0.203736|0.305182|0.500000| |2.587533|5.448081|3.066712|2.627369|2.516858|2.741236|3.265062|3.521865|30.271824|6.082245|8.082341|7.651894|4.671578|4.683324|6.319765|8.821887|17.508924|8.971401|2.478367|4.609026|2.880050|1.920326|1.920185|0.059219|1.772059|1.816992|1.628826|1.496689|10.896345|2.438358|0.045755|1.747082|1.819541|1.786787|1.875278|0.070797|0.064110|0.071275|0.066215|0.062302|0.095144|0.128578|0.103654|0.107896|0.115173|0.188911|0.140019|0.225099|0.175164|0.500000| |2.645253|5.756684|3.369615|2.837434|2.777304|3.168374|3.985905|4.182914|38.803663|7.310548|12.273221|8.561678|4.632161|4.548844|5.451019|8.912680|17.587734|8.854189|2.873629|5.478594|3.244795|2.160177|2.126580|0.065876|1.912363|1.923379|1.699637|1.572274|11.675343|2.707663|0.050528|1.906669|2.005687|2.009145|2.132119|0.070723|0.066696|0.071659|0.069590|0.067549|0.123647|0.116698|0.106851|0.101327|0.122150|0.139864|0.124094|0.210175|0.225996|0.303549|0.500000| |3.564038|8.226404|5.011711|4.038398|3.825160|4.290293|5.567521|6.304627|49.016573|8.230587|12.059387|12.419234|5.671475|4.488714|4.638843|5.473542|8.831541|17.582306|3.570333|6.459917|3.925004|2.484422|2.437767|0.076647|2.221622|2.282865|1.998846|1.814978|13.297001|2.966444|0.055074|2.068397|2.101824|2.065651|2.256711|0.097545|0.086338|0.092821|0.095914|0.089568|0.154630|0.153845|0.130099|0.102739|0.113132|0.130651|0.102600|0.123998|0.139802|0.204241|0.226386|0.500000| |3.661856|8.040718|4.310652|3.493279|3.141907|3.274550|3.939190|4.708277|38.848382|7.524031|8.587859|12.722993|7.475586|5.767321|6.200457|6.214982|8.815010|17.591270|2.767188|4.897746|3.204909|2.060910|2.026697|0.062295|1.897253|1.967056|1.769629|1.615629|11.648802|2.494417|0.047011|1.759763|1.778599|1.742588|1.875553|0.101219|0.085829|0.100518|0.087786|0.075922|0.105849|0.238391|0.152009|0.132467|0.129756|0.197789|0.128259|0.136774|0.142754|0.229086|0.176139|0.305259|0.500000| |2.837842|5.482028|3.872027|4.819296|7.191669|7.310006|4.859875|3.890656|20.762251|4.778869|5.120084|3.429470|2.205498|1.915645|1.806266|1.916675|2.143757|2.430316|9.315537|10.938021|26.097225|9.094899|5.934858|0.154433|5.278462|4.570755|3.774674|3.666215|31.034485|5.720920|0.111368|3.305058|2.875228|2.950697|3.819952|0.078808|0.082656|0.068245|0.119101|0.243423|0.120066|0.059628|0.062915|0.049416|0.053289|0.049335|0.045784|0.049031|0.054806|0.055854|0.062212|0.075762|0.063344|0.500000| |2.152104|4.230234|2.843425|3.106467|3.956040|4.795801|3.965030|3.115009|18.467017|4.221452|4.926934|3.042469|1.940726|1.749152|1.693199|1.847879|2.059099|2.215484|7.368662|13.568186|12.542111|17.650041|8.746739|0.202639|5.524709|4.184466|3.346089|3.365798|31.928879|9.942669|0.187333|4.662696|4.125003|4.748022|7.644339|0.058950|0.061205|0.053896|0.077016|0.112463|0.113753|0.051789|0.054279|0.044803|0.049296|0.045819|0.043407|0.048197|0.053331|0.053860|0.061683|0.068818|0.056740|0.192646|0.500000| |2.127739|4.056082|2.697727|3.081975|3.935303|4.262308|3.385422|2.796575|16.363240|3.807551|4.199310|2.760795|1.799220|1.613952|1.552053|1.660160|1.836653|2.000193|5.809887|9.166933|12.598818|17.620005|8.774914|0.175186|7.154761|4.983926|4.112025|4.383828|46.431878|8.700840|0.187760|4.359223|3.543032|3.771939|5.249173|0.059090|0.061308|0.052992|0.079157|0.121579|0.091675|0.048640|0.050725|0.041847|0.045142|0.042364|0.039903|0.043301|0.047469|0.048491|0.053900|0.061559|0.052270|0.235099|0.302381|0.500000| |2.136936|4.049573|2.649116|3.020312|3.681694|3.789103|3.130371|2.689640|15.791673|3.507155|4.016049|2.881211|1.868185|1.659642|1.642783|1.752340|2.017584|2.226037|4.481854|7.627940|6.720465|4.843195|6.693748|0.209815|8.917557|17.728316|8.593859|5.737496|37.672386|6.620669|0.118281|4.918012|3.866545|3.285408|3.768280|0.062495|0.058607|0.053340|0.079175|0.113252|0.083526|0.052408|0.051006|0.043099|0.044927|0.046259|0.041815|0.045982|0.048261|0.055351|0.058297|0.070567|0.060113|0.121883|0.110238|0.120587|0.500000| |1.859149|3.384352|2.131192|2.437448|2.795817|2.693387|2.299125|2.084234|12.577951|2.885543|3.132329|2.329556|1.563414|1.404594|1.382628|1.442894|1.617130|1.769960|2.959998|4.940220|4.567389|3.370633|4.032779|0.108937|5.714655|8.583785|17.761756|8.925521|37.707585|4.613869|0.091474|3.505573|2.815646|2.472707|2.706664|0.054881|0.051647|0.046957|0.067258|0.088085|0.060793|0.044228|0.043126|0.037105|0.037994|0.039095|0.035620|0.038109|0.039667|0.044632|0.045926|0.054280|0.048720|0.091200|0.079438|0.093898|0.201714|0.500000| |1.655902|2.996337|1.874655|2.130335|2.438150|2.367085|2.030988|1.840849|11.258073|2.638738|2.814466|2.045731|1.384927|1.257886|1.229188|1.281552|1.409357|1.523743|2.649128|4.423359|4.278728|3.390860|3.829616|0.094253|5.405254|5.687079|8.764104|17.790753|55.452842|4.661075|0.100577|3.380575|2.663045|2.449174|2.697331|0.047941|0.046921|0.042094|0.058940|0.076862|0.054209|0.038700|0.038625|0.033347|0.034436|0.034384|0.031937|0.033946|0.035651|0.038514|0.040226|0.046063|0.041536|0.087772|0.080518|0.102864|0.122555|0.203507|0.500000| |1.532677|2.911697|1.844489|1.977595|2.299271|2.506527|2.251946|1.947457|12.334411|2.821792|3.273554|2.202989|1.447552|1.339942|1.341329|1.452189|1.616196|1.681911|3.075227|5.898600|4.584363|4.232916|5.898683|0.145786|5.708523|4.712261|4.033845|4.122989|36.391103|12.261731|0.247409|17.647126|8.746356|6.592059|6.128593|0.043234|0.042630|0.039396|0.051699|0.066875|0.064382|0.039685|0.039622|0.034869|0.037095|0.037090|0.034901|0.039002|0.040718|0.044169|0.047808|0.051534|0.044561|0.082936|0.112541|0.111851|0.118411|0.095349|0.098803|0.500000| |1.711669|3.277211|2.101149|2.268296|2.678427|2.947096|2.608870|2.225268|13.841304|3.107736|3.671084|2.488946|1.616111|1.479580|1.485603|1.614199|1.830570|1.926846|3.672664|7.114351|5.357857|4.712512|7.567783|0.214439|7.373114|6.622832|4.939104|4.488068|36.590247|12.150738|0.192565|17.710131|8.654918|5.731782|5.921548|0.048688|0.047180|0.043681|0.058806|0.077927|0.074209|0.044553|0.043952|0.038321|0.040652|0.041321|0.038324|0.043130|0.044935|0.050231|0.054174|0.060056|0.051102|0.094076|0.119332|0.116547|0.177979|0.115829|0.102366|0.302555|0.500000| |1.459721|2.807411|1.762696|1.833678|2.087660|2.328955|2.190150|1.902749|12.433069|2.815785|3.381735|2.239618|1.462396|1.371628|1.396716|1.536074|1.716746|1.741395|2.788826|5.641084|3.838348|3.306553|4.198145|0.119433|3.719697|3.391413|2.907680|2.815360|22.720383|7.754505|0.138540|8.803638|17.612226|8.686575|5.688667|0.040966|0.040129|0.037882|0.047487|0.058736|0.064472|0.039958|0.039548|0.035501|0.038008|0.038574|0.036450|0.041754|0.042971|0.047294|0.051495|0.053318|0.045845|0.069119|0.093608|0.083689|0.094139|0.073165|0.069827|0.220808|0.192670|0.500000| |1.662112|3.246912|2.070054|2.145311|2.480622|2.855632|2.688531|2.276778|14.706654|3.260685|4.058590|2.634457|1.687256|1.567653|1.600234|1.781941|2.033407|2.073235|3.516199|7.508260|4.636835|3.915085|5.151523|0.163549|4.195499|3.861132|3.108802|2.892881|23.324296|8.861485|0.140316|8.820992|17.573380|8.829132|6.920539|0.046644|0.045386|0.042855|0.054650|0.068834|0.080416|0.046007|0.045349|0.040195|0.043336|0.044183|0.041353|0.048128|0.049802|0.055840|0.061749|0.064737|0.054022|0.080758|0.111190|0.093544|0.112909|0.077974|0.070165|0.174372|0.219965|0.302161|0.500000| |1.476233|2.845943|1.795771|1.867299|2.143076|2.421281|2.271217|1.951964|12.760484|2.934841|3.489462|2.235393|1.460743|1.372233|1.378692|1.516377|1.668439|1.695536|2.969320|6.029688|4.178314|3.838953|4.428915|0.116060|3.632736|3.060582|2.642998|2.687979|23.491559|9.188545|0.182228|6.844180|8.796374|17.554370|8.819116|0.040886|0.041094|0.038264|0.048113|0.060166|0.067473|0.039413|0.039958|0.035480|0.038515|0.037601|0.036077|0.040994|0.043141|0.045102|0.050281|0.051504|0.044138|0.075221|0.117440|0.098729|0.081832|0.065200|0.067213|0.184342|0.138131|0.215472|0.173595|0.500000| |1.564065|3.062685|1.939827|1.979637|2.265641|2.635632|2.544638|2.160371|14.323406|3.243153|4.023216|2.498564|1.609365|1.516475|1.537527|1.720791|1.911838|1.916949|3.233362|6.956900|4.275375|3.735951|4.218433|0.120531|3.328784|2.907396|2.457107|2.412660|20.322668|7.739717|0.137050|5.662112|8.690125|17.612646|8.823695|0.043132|0.043164|0.040599|0.050310|0.062126|0.077947|0.043174|0.043649|0.038856|0.042646|0.041768|0.040103|0.046649|0.049085|0.051561|0.058650|0.058635|0.049297|0.075670|0.117440|0.091462|0.081138|0.061575|0.060091|0.134905|0.126503|0.196184|0.216615|0.301926|0.500000| |1.923713|3.822587|2.513473|2.621382|3.167252|3.899151|3.570440|2.840603|17.785543|3.953244|4.975164|3.011282|1.898120|1.740489|1.733680|1.937270|2.194490|2.283849|5.456268|13.144597|7.096392|6.667702|7.449561|0.223765|4.750453|3.898487|3.066728|2.959451|26.073579|12.283433|0.184310|6.395069|6.859109|8.769729|17.645394|0.053022|0.053317|0.048978|0.065054|0.086719|0.109812|0.050771|0.051834|0.044267|0.048850|0.047053|0.044520|0.051321|0.055486|0.058188|0.067312|0.071664|0.058115|0.115080|0.228194|0.141632|0.109378|0.074650|0.071198|0.137403|0.152158|0.138350|0.194348|0.173229|0.217500|0.500000| 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