Version2.1 2020-12-28T02:18:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+]1CCN([C@@H](C1)c2ccccc2)CCNc3ccc(cc3[N+](=O)[O-])S(=O)(=O)N4CCCC4 C34863414 RHF 6-31G(d) (6D,7F) C[NH+]1CCN([C@@H](C1)c2ccccc2)CCNc3ccc(cc3[N+](=O)[O-])S(=O)(=O)N4CCCC4 C01[X(C23H32N5O4S1)] 189 C1 563 C[NH+]1CCN([C@@H](C1)c1ccccc1)CCNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCCC1 C[NH+]1CCN([C@@H](C1)c1ccccc1)CCNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCCC1 C[NH+]1CCN(CCNc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)N3CCCC3)[C@@H](C1)c4ccccc4 InChIKey=ZZAAMESKLOEFBK-QHCPKHFHSA-O InChI=1S/C23H31N5O4S/c1-25-15-16-26(23(18-25)19-7-3-2-4-8-19)14-11-24-21-10-9-20(17-22(21)28(29)30)33(31,32)27-12-5-6-13-27/h2-4,7-10,17,23-24H,5-6,11-16,18H2,1H3/p+1/t23-/m0/s1 InChI=1/C23H31N5O4S/c1-25-15-16-26(23(18-25)19-7-3-2-4-8-19)14-11-24-21-10-9-20(17-22(21)28(29)30)33(31,32)27-12-5-6-13-27/h2-4,7-10,17,23-24H,5-6,11-16,18H2,1H3/p+1/t23-/m0/s1/fC23H32N5O4S/h25H/q+1 C[NH+]1CCN([C@@H](C1)c2ccccc2)CCNc3ccc(cc3[N+](=O)[O-])S(=O)(=O)N4CCCC4 C01[X(C23H32N5O4S1)] 189 C01 563 C[NH+]1CCN([C@@H](C1)c1ccccc1)CCNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCCC1 C[NH]1CCN([C@@H](C1)[C]1[CH][CH][CH][CH][CH]1)CCN[C]1[CH][CH][C]([CH][C]1[N]([O])[O])S(=O)(=O)N1CCCC1 C[NH]1CCN(CCN[C]2[CH][CH][C]([CH][C]2N([O])[O])[S](=O)(=O)N3CCCC3)[C@@H](C1)[C]4[CH][CH][CH][CH][CH]4 InChIKey=CAJJCVRZOWWCOW-QHCPKHFHSA-N InChI=1S/C23H32N5O4S/c1-25-15-16-26(23(18-25)19-7-3-2-4-8-19)14-11-24-21-10-9-20(17-22(21)28(29)30)33(31,32)27-12-5-6-13-27/h2-4,7-10,17,23-25H,5-6,11-16,18H2,1H3/t23-/m0/s1 InChI=1/C23H32N5O4S/c1-25-15-16-26(23(18-25)19-7-3-2-4-8-19)14-11-24-21-10-9-20(17-22(21)28(29)30)33(31,32)27-12-5-6-13-27/h2-4,7-10,17,23-25H,5-6,11-16,18H2,1H3/t23-/m0/s1 3601.2126082328 -1858.3891096 1-A 24587.4733 126 437 563 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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| 8.2808 10.7768 22.3527 27.8121 30.6721 39.1858 47.5103 54.4397 61.6771 77.3292 88.1630 105.5875 108.5372 129.3265 134.5387 140.3979 145.1730 167.2268 214.7849 216.7262 235.4189 246.6747 252.1312 269.9386 273.4843 290.0448 301.8650 311.5617 340.3501 362.8910 382.9398 387.3976 403.5213 422.0278 427.3321 455.9548 458.6436 473.7335 477.1463 493.6042 507.6549 533.3892 541.3451 551.1244 583.5053 595.6893 617.0813 634.8493 672.5037 677.7841 682.9897 686.9848 706.4287 732.4695 782.6378 788.2109 806.3119 834.3321 850.3518 853.9705 866.1697 873.7736 884.4805 909.1720 919.2108 931.8037 933.5042 955.8634 964.8004 980.8929 992.7661 1006.7350 1012.3475 1014.4838 1055.3456 1062.3698 1079.4431 1089.3124 1089.9205 1101.4160 1105.2339 1113.9693 1124.5756 1127.8658 1130.7152 1137.6066 1145.6149 1148.5856 1181.5294 1185.5941 1194.3862 1195.6144 1203.4459 1222.6101 1228.1502 1239.8836 1258.5244 1264.4637 1271.1405 1277.5513 1282.1851 1290.3884 1294.9853 1304.0037 1309.2202 1319.9088 1330.6825 1335.8129 1339.7928 1346.0264 1348.4373 1380.3308 1388.5369 1396.2810 1406.9783 1438.5854 1452.0251 1463.3679 1464.1441 1467.4261 1476.4514 1485.5302 1490.3721 1494.4556 1501.2604 1514.0848 1519.6737 1526.4719 1532.1487 1549.4363 1552.9143 1571.6499 1574.9716 1579.1402 1591.9214 1596.2360 1607.4660 1620.5950 1625.1489 1636.2147 1640.2261 1641.7235 1646.2055 1647.0048 1648.4060 1651.0775 1658.4209 1670.1266 1673.8914 1679.1288 1686.1953 1697.2182 1771.0870 1786.0292 1793.3769 1807.2094 1859.0628 3122.7379 3134.0901 3189.8616 3192.7557 3220.3200 3222.8164 3237.0475 3237.9027 3247.3324 3261.3122 3276.1116 3277.7393 3286.2973 3289.0863 3293.2685 3299.4587 3324.5752 3334.6043 3341.4840 3352.8479 3354.6695 3361.8173 3365.1853 3366.9098 3380.3775 3390.6637 3402.4694 3406.5982 3422.3155 3448.1250 3683.8459 3881.6157 5.7241 5.0489 6.1735 4.5394 4.5962 11.7891 4.2408 3.3652 3.9468 3.7970 3.9080 2.5769 3.4794 3.4131 2.7646 6.6298 7.3603 4.1246 3.7421 5.8597 1.3947 2.1336 2.7734 4.0381 2.1635 3.4491 3.3950 5.2668 4.3661 4.0362 4.0867 5.1049 6.2567 5.8060 5.7697 4.7719 3.6494 2.6967 3.5315 2.0953 1.1500 5.1905 4.4120 3.1049 4.7387 3.1779 2.2388 4.2331 5.3151 6.3541 5.2794 5.4293 3.2453 7.5046 2.0364 3.9697 4.4375 2.8678 1.8921 2.5028 1.2770 9.1617 3.1747 2.7912 1.5852 3.1061 2.0985 1.9601 1.2458 2.4524 1.9865 6.8573 1.6046 2.4651 1.4635 1.4652 2.8321 1.4305 5.9018 2.3403 2.2564 1.3734 3.1546 2.3078 1.3461 2.0038 1.3656 1.5551 3.7735 1.8192 2.5918 2.2578 2.3500 2.1986 2.9664 3.4476 2.4479 1.6890 2.5754 1.5491 2.0969 2.2841 1.6770 1.1828 1.9308 1.8703 4.1041 2.0988 1.3566 1.6157 1.7928 1.2196 1.6441 1.2582 1.3167 1.3005 1.6373 1.3607 1.4135 1.3051 10.3675 1.3391 1.2989 1.3620 1.3298 1.4218 1.2737 1.3245 1.4094 1.4551 4.1788 1.4433 1.4913 1.2384 1.3423 2.5220 1.2445 1.0907 2.0067 1.0945 1.0730 1.0677 1.1315 1.1052 2.7253 1.1118 1.1065 2.1603 1.0914 1.1660 1.1009 2.4986 3.6089 5.1287 3.7842 5.1797 8.2906 1.0829 1.0745 1.0610 1.0738 1.0692 1.1020 1.0630 1.0668 1.0721 1.0319 1.0611 1.0985 1.0605 1.1043 1.0884 1.1044 1.0983 1.0949 1.1122 1.1114 1.0913 1.1103 1.0905 1.1097 1.0913 1.0954 1.0990 1.0892 1.0953 1.0928 1.0782 1.0776 0.0002 0.0003 0.0018 0.0021 0.0025 0.0107 0.0056 0.0059 0.0088 0.0134 0.0179 0.0169 0.0241 0.0336 0.0295 0.0770 0.0914 0.0680 0.1017 0.1622 0.0455 0.0765 0.1039 0.1734 0.0953 0.1710 0.1823 0.3012 0.2980 0.3132 0.3531 0.4514 0.6002 0.6093 0.6208 0.5845 0.4523 0.3566 0.4737 0.3008 0.1746 0.8701 0.7618 0.5556 0.9506 0.6644 0.5023 1.0052 1.4163 1.7198 1.4510 1.5097 0.9542 2.3722 0.7349 1.4531 1.6998 1.1762 0.8061 1.0754 0.5645 4.1212 1.4633 1.3594 0.7892 1.5889 1.0774 1.0552 0.6833 1.3902 1.1535 4.0948 0.9689 1.4948 0.9604 0.9743 1.9443 1.0001 4.1307 1.6727 1.6239 1.0042 2.3505 1.7297 1.0140 1.5279 1.0560 1.2088 3.1037 1.5067 2.1784 1.9016 2.0052 1.9363 2.6362 3.1227 2.2843 1.5911 2.4518 1.4897 2.0311 2.2408 1.6570 1.1850 1.9499 1.9197 4.2817 2.2065 1.4348 1.7248 1.9206 1.3691 1.8676 1.4453 1.5358 1.5858 2.0339 1.7168 1.7853 1.6558 13.3157 1.7412 1.6999 1.7922 1.7659 1.9204 1.7331 1.8184 1.9493 2.0582 5.9374 2.1005 2.1796 1.8195 2.0042 3.7861 1.8947 1.6878 3.1227 1.7264 1.7008 1.6955 1.8066 1.7664 4.3631 1.7858 1.7930 3.5504 1.8018 1.9369 1.8442 4.2406 6.6697 9.6391 7.1707 9.9673 16.8820 6.2218 6.2182 6.3610 6.4490 6.5330 6.7435 6.5626 6.5899 6.6610 6.4662 6.7099 6.9534 6.7477 7.0385 6.9549 7.0836 7.1521 7.1735 7.3168 7.3609 7.2356 7.3931 7.2761 7.4119 7.3475 7.4197 7.4961 7.4476 7.5585 7.6553 8.6207 9.5663 2.1967 1.8551 1.6147 1.1983 2.6090 0.0429 0.1530 0.0879 0.2230 0.5292 2.2981 3.1334 0.8754 2.4876 10.7667 5.1409 0.8922 5.7094 0.6691 0.7898 0.2752 1.0443 1.4699 1.8675 0.3937 7.6982 1.1735 2.2514 5.5151 2.1594 5.8312 7.5810 4.2906 0.4495 2.7113 1.2886 0.1958 2.1675 5.2158 4.7141 87.5018 12.5271 0.8807 2.7673 10.4233 5.9439 50.3444 119.1052 36.1492 10.0598 42.5746 112.2214 2.0849 84.6797 34.8206 12.4174 5.9723 75.9649 39.6567 38.4758 2.7899 22.3767 6.9148 4.5424 18.2438 11.8464 5.6918 4.1438 0.1674 1.7862 12.4439 40.2984 10.2965 33.3878 7.4306 2.2406 27.2220 3.6552 1.9023 24.4859 56.2671 0.5563 7.3041 0.4696 1.5895 1.4442 0.3946 6.1855 34.0225 5.9280 91.0678 72.0190 25.0406 19.0829 252.5323 40.8322 303.0689 9.3616 168.8289 47.9214 33.6021 33.3201 24.0008 1.0156 5.1039 13.5228 17.4117 41.2366 0.0843 70.0883 19.6361 10.7265 51.8378 11.1999 2.5777 10.7290 70.7635 4.1255 13.0700 9.2162 222.2218 2.7647 4.5660 0.6700 12.5126 0.8246 5.0414 11.5188 21.2013 15.3574 37.5064 98.4883 15.0677 31.3681 28.5579 126.5629 2.9694 2.0408 11.5584 3.2279 24.0105 26.6953 72.6625 3.2685 141.8425 29.6031 25.8266 10.8344 2.3214 133.0388 5.9379 187.0918 320.4074 3.9065 178.3692 0.1314 665.8534 14.7481 59.1768 53.5968 41.3118 18.3917 31.4364 40.9706 35.6278 33.4760 3.9436 6.3207 15.0328 4.8534 18.9050 9.8400 68.3495 18.4256 13.5755 3.9157 0.7574 10.7492 2.0727 5.5266 2.5947 1.9562 15.3525 9.5744 7.4332 9.7008 13.0519 39.2371 122.5244 1.3981 1.2577 3.1977 1.6691 0.4401 1.3273 0.5358 0.2615 7.6204 0.2947 1.9471 1.0791 2.8800 3.9283 0.5865 0.4826 0.4036 1.4741 1.7969 0.1369 0.3572 0.6246 1.1423 3.1853 0.5610 1.5295 2.6047 0.9487 2.1043 1.1318 1.1736 3.6385 1.3397 2.1464 1.7970 1.7991 0.5513 2.9062 0.3665 0.2378 1.1775 3.1203 1.7212 2.0554 0.6812 1.6399 0.8500 2.3229 1.3719 4.6837 1.0329 3.5544 3.8349 7.1688 0.5573 0.1695 9.5299 1.7450 5.2435 4.9483 4.3963 1.9688 1.1628 9.6092 1.0695 17.6212 0.6680 3.0291 2.1875 9.1674 8.9419 2.8178 1.5426 8.1232 0.8876 1.6536 3.9538 0.5692 22.9548 3.9322 7.6043 0.0378 14.4524 10.6912 0.4844 2.4129 0.1811 5.4875 8.9215 1.7200 10.1845 2.6564 3.6909 2.3184 9.3603 8.2683 12.5337 8.7890 13.2212 1.9041 15.1830 1.0129 3.0397 5.7877 11.1812 6.0733 22.9481 3.8453 4.0221 4.4645 2.0026 7.2051 13.0693 20.6378 8.6624 16.2922 18.6010 0.6206 2.2646 3.5547 4.2124 9.1218 5.6967 0.9858 9.1575 4.0508 1.3505 8.3129 2.5832 2.0346 29.9399 6.5013 4.9403 6.7327 13.2384 67.5832 3.0269 3.0888 0.7244 18.2707 11.0696 17.5357 12.6484 10.0835 22.6338 10.4232 9.1938 0.5728 1.0262 7.1446 9.5136 1.9885 22.7857 7.9642 94.9108 29.4896 18.5053 8.6885 57.2979 97.2750 44.7484 39.6671 56.8206 58.9242 146.5254 42.7764 62.2361 75.2605 89.9475 64.2599 90.6130 120.8055 100.1459 36.1242 64.3397 40.1480 27.1634 29.9385 75.8059 36.0086 48.9307 86.4373 52.3583 242.1791 47.5819 92.3355 30.3285 24.9427 72.8387 0.7461 0.7387 0.7488 0.7305 0.7309 0.7420 0.6900 0.7083 0.7436 0.7158 0.6910 0.6880 0.7454 0.7360 0.5096 0.5853 0.1646 0.6569 0.2076 0.2000 0.7385 0.7285 0.3002 0.2128 0.6426 0.6559 0.5024 0.1275 0.5897 0.5293 0.6820 0.2040 0.4016 0.7325 0.3583 0.1307 0.2727 0.1065 0.3268 0.7475 0.3949 0.2633 0.6998 0.3114 0.4121 0.7251 0.6603 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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 8885.0353 39405.5948 40705.2363 0.99988 -0.01555 0.00139 0.01556 0.99986 -0.00528 -0.00131 0.00530 0.99999 1 0.00975 0.00220 0.00213 0.20312 0.04580 0.04434 11.91 15.51 32.16 40.02 44.13 56.38 68.36 78.33 88.74 111.26 126.85 151.92 156.16 186.07 193.57 202.00 208.87 240.60 309.03 311.82 338.72 354.91 362.76 388.38 393.48 417.31 434.32 448.27 489.69 522.12 550.97 557.38 580.58 607.20 614.84 656.02 659.89 681.60 686.51 710.19 730.40 767.43 778.87 792.95 839.53 857.06 887.84 913.41 967.58 975.18 982.67 988.42 1016.39 1053.86 1126.04 1134.06 1160.10 1200.42 1223.47 1228.67 1246.22 1257.17 1272.57 1308.10 1322.54 1340.66 1343.10 1375.27 1388.13 1411.29 1428.37 1448.47 1456.54 1459.62 1518.41 1528.51 1553.08 1567.28 1568.15 1584.69 1590.19 1602.75 1618.01 1622.75 1626.85 1636.76 1648.28 1652.56 1699.96 1705.81 1718.46 1720.22 1731.49 1759.06 1767.03 1783.92 1810.74 1819.28 1828.89 1838.11 1844.78 1856.58 1863.19 1876.17 1883.68 1899.05 1914.56 1921.94 1927.66 1936.63 1940.10 1985.99 1997.79 2008.94 2024.33 2069.80 2089.14 2105.46 2106.58 2111.30 2124.28 2137.35 2144.31 2150.19 2159.98 2178.43 2186.47 2196.25 2204.42 2229.29 2234.30 2261.25 2266.03 2272.03 2290.42 2296.63 2312.79 2331.67 2338.23 2354.15 2359.92 2362.07 2368.52 2369.67 2371.69 2375.53 2386.10 2402.94 2408.36 2415.89 2426.06 2441.92 2548.20 2569.70 2580.27 2600.17 2674.78 4492.92 4509.26 4589.50 4593.66 4633.32 4636.91 4657.39 4658.62 4672.19 4692.30 4713.59 4715.94 4728.25 4732.26 4738.28 4747.19 4783.32 4797.75 4807.65 4824.00 4826.62 4836.91 4841.75 4844.23 4863.61 4878.41 4895.39 4901.34 4923.95 4961.08 5300.23 5584.78 0.592746 0.621888 0.622833 0.526712 -1857.796363 -1857.767221 -1857.766277 -1857.862397 3.223881D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE C[NH+]1CCN([C@@H](C1)c2ccccc2)CCNc3ccc(cc3[N+](=O)[O-])S(=O)(=O)N4CCCC4 C34863414 RHF 6-31G(d) (6D,10F) C1 474.217502 |X|Y|Z| 139.382099 46.877367 54.424448 70.846992 27 6 7 16 22 4 1 |36.858105| |12.780785|53.358707| |9.374811|25.690311|0.500000| |7.663840|17.298213|0.259541|36.858105| |5.001186|10.532810|0.200702|12.551587|36.858105| |4.473358|9.038895|0.166200|7.814396|13.169595|53.358707| |4.947434|10.294941|0.195513|6.566057|7.918844|17.797462|36.858105| |4.601587|9.341431|0.207848|5.773022|7.119431|12.269734|17.417568|0.500000| |7.668315|17.243631|0.258715|7.733011|6.698146|10.662004|12.419655|0.247907|36.858105| |3.856513|6.790989|0.129755|4.443261|5.035121|10.365952|12.530487|0.248730|7.755700|36.858105| |3.271996|5.468102|0.110860|3.526044|3.947635|7.120472|7.567515|0.206978|5.564026|13.733291|36.858105| |2.740462|4.331888|0.086886|2.863593|3.124240|5.388444|5.014610|0.134218|4.164715|7.907603|13.729604|36.858105| |2.609213|4.034211|0.078617|2.733597|2.934618|5.079006|4.427375|0.111397|3.852119|6.844371|7.939497|13.773884|36.858105| |2.877273|4.484891|0.084530|3.099465|3.307175|5.940386|5.005462|0.116685|4.397226|7.911558|6.883456|7.944282|13.723602|36.858105| |3.510556|5.779867|0.105989|3.992449|4.330405|8.544408|7.514775|0.155381|6.149180|13.675496|7.945731|6.875890|7.933370|13.778176|36.858105| |3.332839|6.022663|0.117575|5.088747|7.833888|17.748545|7.644122|0.182910|5.029763|6.431775|4.932453|3.927389|3.736017|4.276897|5.670479|36.858105| |2.937153|5.186312|0.108323|4.165266|6.120263|10.192030|6.041181|0.176217|4.144210|5.247569|4.695073|3.755515|3.382027|3.572060|4.343162|12.427619|36.858105| |2.423166|4.060758|0.083799|3.262263|4.378846|6.914818|4.274970|0.120721|3.215198|4.102607|3.844722|3.337667|3.106153|3.238109|3.689731|7.922554|13.225120|53.358707| |2.132922|3.484012|0.073114|2.746077|3.509151|5.210086|3.423883|0.099917|2.703016|3.318401|3.274111|2.931481|2.701860|2.726735|2.992917|5.128771|7.694826|19.163889|36.858105| |2.129838|3.471211|0.074738|2.672660|3.360051|4.815063|3.318132|0.101554|2.653780|3.152072|3.217602|2.846636|2.545463|2.512305|2.754031|4.350459|6.599720|10.827660|13.517972|36.858105| |1.872161|2.974004|0.064098|2.269060|2.739166|3.845365|2.700304|0.082037|2.248559|2.599262|2.691300|2.454050|2.213749|2.161326|2.316622|3.315780|4.475551|7.091741|7.835868|13.891643|36.858105| |1.681800|2.631873|0.055925|2.022688|2.401882|3.384462|2.352518|0.069599|1.992732|2.304384|2.366288|2.213776|2.044369|2.003898|2.113635|2.929812|3.718066|6.197055|6.727833|7.920783|13.666864|36.858105| |1.678958|2.630007|0.055100|2.047597|2.446283|3.499408|2.381044|0.068867|2.006992|2.358391|2.381229|2.246376|2.115692|2.099709|2.207142|3.121286|3.869992|7.000793|7.778075|6.893340|7.986981|13.860823|36.858105| |1.858950|2.958418|0.061479|2.332268|2.862774|4.192575|2.778333|0.079376|2.282823|2.754814|2.728969|2.541706|2.405755|2.423722|2.582360|3.951795|5.032486|10.614751|13.451952|7.949644|6.907568|7.933469|13.706714|36.858105| |1.784515|2.810691|0.057404|2.238032|2.706451|4.008817|2.614895|0.072448|2.180392|2.636359|2.559145|2.430634|2.377199|2.439455|2.567391|3.794542|4.347011|8.799047|7.586841|5.073211|4.531035|5.165495|7.912327|13.147285|53.358707| |1.916930|3.040109|0.061263|2.454644|3.000958|4.546291|2.878570|0.077832|2.379126|2.912648|2.746715|2.594460|2.583472|2.721360|2.895917|4.478288|4.806606|9.849311|6.823421|4.548252|3.855682|4.071788|5.439761|8.329128|21.507405|73.516695| |1.607036|2.491155|0.050854|1.969476|2.321617|3.394144|2.252897|0.062418|1.922629|2.285383|2.239475|2.164682|2.134903|2.175223|2.249675|3.078953|3.422432|6.280738|5.347226|4.086480|3.939013|4.758853|7.244574|8.404146|21.819360|16.088914|73.516695| |1.475753|2.264287|0.048155|1.724545|1.988293|2.763850|1.950482|0.057541|1.699718|1.916870|1.980278|1.882232|1.749472|1.705112|1.776142|2.306320|2.779685|4.353484|4.138068|4.718786|6.911753|10.748235|6.957371|4.718423|5.049130|5.429413|6.598732|388.023441| |1.388438|2.115499|0.044630|1.627674|1.864566|2.578059|1.796154|0.052247|1.580482|1.763846|1.796327|1.716075|1.620508|1.596430|1.659658|2.151523|2.522474|3.986494|3.674218|3.872090|5.015894|7.410167|6.452318|4.416754|5.074887|5.402538|6.998546|94.840581|73.516695| |1.493810|2.286124|0.049129|1.729586|1.980835|2.711158|1.932354|0.057753|1.697844|1.873728|1.942987|1.828984|1.682994|1.637080|1.716536|2.214605|2.677033|4.008711|3.688184|4.478632|6.580177|7.444639|4.997355|3.856778|4.186141|4.701490|5.327402|94.702307|13.534631|73.516695| |1.392448|2.121872|0.044967|1.594294|1.816391|2.565892|1.843402|0.054202|1.613265|1.851435|1.945551|1.887692|1.755143|1.685020|1.725112|2.125910|2.514178|3.896843|3.566796|3.950838|5.261522|6.963050|5.459330|4.025033|4.535776|4.954494|6.052835|83.997857|13.823819|13.818820|53.358707| |1.309661|1.984158|0.041667|1.493528|1.690590|2.408705|1.725570|0.050038|1.517726|1.755833|1.838194|1.812009|1.711129|1.644150|1.663043|2.001396|2.308193|3.617592|3.220824|3.339799|4.073823|5.315419|4.966889|3.778011|4.545774|4.940980|6.368288|49.967082|11.636073|8.866006|17.681316|36.858105| |1.240873|1.865945|0.039214|1.388570|1.553075|2.218566|1.614067|0.046868|1.432586|1.656890|1.755923|1.752909|1.652035|1.568816|1.570532|1.814691|2.065608|3.149897|2.710507|2.842615|3.355175|3.963436|3.671213|3.025192|3.715379|4.194527|5.109013|34.855342|7.893242|7.241726|11.169825|12.476466|36.858105| |1.321016|1.994908|0.042188|1.470025|1.647886|2.363791|1.743365|0.051197|1.538694|1.794910|1.933965|1.928548|1.786460|1.675129|1.678211|1.925389|2.222808|3.339570|2.881148|3.134300|3.736718|4.159158|3.656306|3.084231|3.669016|4.195151|4.859417|34.733178|7.109858|7.728158|11.040722|7.945093|12.437627|36.858105| |1.402413|2.132385|0.045445|1.578649|1.785779|2.532493|1.856464|0.055127|1.629009|1.876479|2.009498|1.959557|1.797309|1.700104|1.731819|2.067757|2.445430|3.671595|3.268752|3.746491|4.841720|5.402819|4.266492|3.454973|3.920546|4.434948|5.092034|50.150583|8.858109|11.636954|17.651590|7.766783|7.879694|12.420546|36.858105| |17.646510|12.311082|0.224083|5.588173|4.172217|5.358677|4.625530|0.123567|7.076119|3.787690|3.338159|2.816197|2.648611|2.856042|3.403747|3.034296|2.742093|3.104515|2.031400|2.049252|1.815261|1.628534|1.615647|1.775462|2.309879|3.216014|2.729065|10.227605|2.394791|2.596777|1.861477|1.285781|1.226656|1.312264|1.388491|0.500000| |17.643821|12.311080|0.224283|7.059898|4.657980|5.351578|4.122666|0.110530|5.587200|3.257178|2.834894|2.408371|2.291665|2.497214|2.981338|3.041253|2.744673|3.118952|2.043329|2.054505|1.822221|1.639518|1.629965|1.791063|2.334824|3.255697|2.757798|10.300264|2.430537|2.621449|1.849514|1.274705|1.206035|1.280314|1.365192|0.299065|0.500000| |17.651165|12.338953|0.181489|6.977153|4.626537|5.866303|4.594908|0.113185|6.980819|3.760718|3.129547|2.681204|2.627638|2.968641|3.614170|3.250193|2.783735|3.182098|2.046321|2.011242|1.771497|1.609273|1.622514|1.802531|2.388125|3.377940|2.817908|10.053611|2.380236|2.524904|1.821467|1.268112|1.201403|1.272028|1.342058|0.299221|0.299143|0.500000| |7.076649|12.423308|0.182083|17.633151|8.831229|9.609378|5.812636|0.134095|7.054075|4.299020|3.348381|2.794533|2.753139|3.213207|4.147026|4.816476|3.762427|4.170546|2.569011|2.449406|2.096537|1.900189|1.947866|2.224079|2.967458|4.302786|3.430585|11.576399|2.754719|2.876986|2.061006|1.432591|1.333659|1.403075|1.493773|0.143999|0.175189|0.212675|0.500000| |7.110361|12.355582|0.225123|17.618213|8.793450|7.659869|4.918314|0.129435|5.624914|3.584615|2.994706|2.490487|2.373887|2.636473|3.255930|4.169552|3.642729|4.007830|2.550624|2.518234|2.174553|1.943917|1.953386|2.192935|2.854100|4.037880|3.310422|11.924104|2.824981|3.014459|2.097280|1.439047|1.337780|1.412184|1.523259|0.144916|0.216978|0.173862|0.299479|0.500000| |4.151628|7.658041|0.146320|9.013918|17.606091|12.498104|5.705358|0.144509|4.984692|4.167034|3.365514|2.774239|2.663183|3.010670|3.809998|7.427200|5.794169|6.073749|3.570906|3.323380|2.726594|2.432081|2.515246|2.965372|3.881885|5.695190|4.339251|14.290669|3.395568|3.532909|2.472890|1.698385|1.546843|1.623883|1.762057|0.097053|0.111594|0.110943|0.215154|0.213240|0.500000| |4.634726|9.467155|0.212725|8.904249|17.417150|12.178107|7.022628|0.209964|5.834911|4.593379|3.856762|3.031912|2.766575|3.002874|3.792312|6.668187|6.399623|6.052518|3.692803|3.706172|3.001960|2.565280|2.553812|2.949856|3.675340|5.184435|4.118231|15.056434|3.488739|3.806057|2.608442|1.758738|1.613968|1.725448|1.893708|0.111561|0.124165|0.113608|0.173675|0.215894|0.302759|0.500000| |7.122789|12.357501|0.225203|5.632533|5.008254|7.682946|8.793658|0.217388|17.632242|7.053764|5.791139|4.378276|3.926667|4.258154|5.517023|4.117072|3.622753|3.931275|2.494565|2.494045|2.146112|1.900720|1.895611|2.125450|2.747571|3.861993|3.194035|11.660048|2.697502|2.928027|2.138522|1.477000|1.407103|1.520629|1.603270|0.217855|0.145154|0.173870|0.143946|0.126731|0.109579|0.131229|0.500000| |7.127112|12.439554|0.182113|7.041170|5.854403|9.551826|8.798172|0.174042|17.646767|7.070589|4.947735|3.970583|3.916481|4.750560|6.772858|4.737834|3.731349|4.102024|2.526037|2.428842|2.076043|1.871380|1.908285|2.175003|2.886269|4.159924|3.343272|11.407703|2.677044|2.826136|2.080109|1.451844|1.370979|1.461011|1.534504|0.176796|0.144567|0.214415|0.212293|0.143867|0.130605|0.134347|0.300253|0.500000| |3.251990|5.467894|0.116433|3.471327|3.914912|6.647059|7.019834|0.230523|5.242145|8.898558|17.696877|8.933217|5.652845|4.955888|5.640764|4.595293|4.767018|5.208606|3.359099|3.452366|2.888995|2.480981|2.439754|2.756474|3.423885|4.702122|3.916842|14.775994|3.306757|3.674909|2.772287|1.895921|1.815537|2.025650|2.129799|0.093247|0.079423|0.083943|0.088738|0.083473|0.091871|0.111638|0.156303|0.122808|0.500000| |2.464580|3.822420|0.078107|2.530369|2.744588|4.537077|4.095121|0.115013|3.511846|5.637249|8.920278|17.730108|8.918199|5.646333|4.954510|3.348382|3.350477|4.154689|2.779904|2.759645|2.430199|2.195253|2.200214|2.440762|3.145136|4.296890|3.700862|13.441492|3.042000|3.276976|2.618177|1.845569|1.809016|2.013767|2.027601|0.071054|0.061066|0.066459|0.068084|0.062361|0.068417|0.075537|0.104252|0.092119|0.216106|0.500000| |2.299581|3.471622|0.068015|2.374567|2.522866|4.214946|3.542794|0.091187|3.187342|4.938185|5.645941|8.922063|17.731013|8.907329|5.646074|3.141330|2.904692|3.745507|2.453410|2.316198|2.054052|1.923662|1.993916|2.236574|3.035921|4.268679|3.618005|11.867000|2.759715|2.844213|2.305299|1.667989|1.625407|1.752008|1.738795|0.065083|0.056819|0.064597|0.066710|0.058259|0.064658|0.066555|0.090795|0.090562|0.124305|0.214844|0.500000| |2.646086|4.010815|0.075077|2.833168|2.971201|5.145401|4.083767|0.096410|3.762738|5.636625|4.958345|5.649234|8.905502|17.728833|8.937984|3.748352|3.124887|3.973987|2.487238|2.272657|1.981388|1.865121|1.970713|2.262874|3.163824|4.635327|3.731090|11.393668|2.694247|2.723061|2.159010|1.562304|1.492015|1.577075|1.590547|0.072503|0.064462|0.077255|0.083325|0.067828|0.077011|0.074476|0.100496|0.116315|0.107589|0.124128|0.214750|0.500000| |3.704734|6.061941|0.106954|4.410879|4.674990|9.201001|6.955766|0.140141|6.200491|8.883823|5.644737|4.953007|5.647427|8.942337|17.708635|5.845307|4.177686|4.867897|2.877308|2.615398|2.207509|2.031258|2.137898|2.508608|3.450350|5.161395|3.955192|12.173630|2.873451|2.938736|2.243087|1.592655|1.495722|1.582689|1.638357|0.096501|0.087313|0.109662|0.134525|0.098168|0.116744|0.108274|0.144185|0.211186|0.123901|0.107542|0.124262|0.216166|0.500000| |3.072771|5.336436|0.102824|4.263735|5.708042|12.500947|6.979607|0.161252|4.720987|7.307284|5.499804|4.530391|4.471563|5.300842|7.060635|17.647701|8.894668|9.838681|4.821328|4.005591|3.124333|2.821678|3.051745|3.873417|5.241786|8.258059|5.585991|15.904995|3.717031|3.771230|2.864123|2.009821|1.833889|1.944256|2.053593|0.079253|0.076953|0.084832|0.117143|0.098078|0.150266|0.137852|0.110674|0.128740|0.133101|0.104140|0.102490|0.127025|0.195714|0.500000| |3.119314|5.437887|0.104900|4.905459|7.343979|12.618267|5.645542|0.137905|4.266535|4.856034|3.878389|3.260408|3.200825|3.689102|4.658673|17.570705|8.875654|9.961287|4.900838|4.027461|3.150172|2.860588|3.112717|3.965489|5.402155|8.638861|5.716003|16.109024|3.830329|3.841104|2.809888|1.957399|1.760032|1.840185|1.976795|0.077738|0.080782|0.085918|0.133790|0.115301|0.234069|0.167787|0.097796|0.116134|0.101211|0.078899|0.076963|0.093961|0.141293|0.304416|0.500000| |3.020097|5.361895|0.115402|4.427705|6.745053|9.273411|5.467602|0.167570|4.002688|4.418464|3.996673|3.224091|2.904879|3.054703|3.681658|8.783659|17.513374|12.424939|6.868998|6.667984|4.599575|3.722808|3.746812|4.649689|5.354471|7.468720|5.641928|20.017535|4.540668|4.937047|3.380341|2.244978|2.003748|2.152526|2.409575|0.077581|0.080133|0.078160|0.106921|0.111182|0.180870|0.221187|0.097268|0.098481|0.116552|0.081520|0.070364|0.075413|0.100530|0.173634|0.210021|0.500000| |2.953110|5.206477|0.111079|3.903136|5.350593|9.141978|6.551690|0.209789|4.325675|5.992854|5.817140|4.433212|3.765365|3.811766|4.581261|8.820576|17.537268|12.428587|6.733414|6.577601|4.524050|3.652389|3.667520|4.550834|5.257800|7.311767|5.569619|19.676177|4.368552|4.791919|3.485947|2.334458|2.121904|2.330693|2.557153|0.078415|0.075767|0.076850|0.097269|0.094676|0.132063|0.160298|0.108772|0.105168|0.173223|0.110330|0.088556|0.089968|0.115673|0.213829|0.173777|0.301912|0.500000| |2.338567|3.864795|0.078084|3.151607|4.139054|6.624737|3.983060|0.107537|3.073480|3.922098|3.581676|3.198439|3.092286|3.304879|3.727920|7.742402|9.048828|26.103955|9.531513|5.827268|4.304515|4.035619|4.797267|7.350180|10.122563|17.920533|9.084851|20.928872|4.942012|4.748578|3.629530|2.543641|2.214912|2.304703|2.484456|0.060826|0.061342|0.063688|0.084548|0.078801|0.121000|0.111427|0.076185|0.082258|0.095795|0.080522|0.076695|0.084525|0.102854|0.213253|0.223502|0.188918|0.185915|0.500000| |2.354336|3.905423|0.085747|2.965151|3.780419|5.371449|3.789624|0.121171|2.976612|3.490320|3.587522|3.063010|2.673143|2.631577|2.939662|4.689848|7.520367|9.881309|8.872686|17.782562|9.036964|5.659033|4.968058|5.643227|5.583828|6.928372|6.013816|27.851686|5.794916|7.007646|4.619915|2.890237|2.548833|2.848788|3.362855|0.063075|0.062943|0.060908|0.073916|0.077322|0.100624|0.120377|0.077867|0.073973|0.110531|0.082189|0.066661|0.065203|0.076906|0.116421|0.115837|0.225540|0.227299|0.146710|0.500000| |1.841073|2.902470|0.063270|2.185124|2.591957|3.582075|2.568331|0.079170|2.174095|2.454301|2.570485|2.341438|2.093189|2.028532|2.170804|2.977546|3.911994|5.745137|5.606363|8.985610|17.751864|8.921120|5.678541|4.972875|4.913693|5.645771|5.757702|47.006753|8.249281|13.571569|7.016113|3.835234|3.286426|3.770152|5.112113|0.049929|0.050034|0.048050|0.055718|0.058705|0.070857|0.079989|0.058295|0.055384|0.077945|0.065118|0.054104|0.051604|0.057320|0.077687|0.078104|0.114452|0.112882|0.098757|0.218595|0.500000| |1.548125|2.396302|0.049908|1.866529|2.192502|3.125423|2.129595|0.060933|1.824946|2.124058|2.138005|2.046137|1.954432|1.943913|2.020997|2.744723|3.249122|5.683783|5.592545|4.969346|5.663589|8.947925|17.794812|8.969955|10.102551|8.995135|14.857878|47.015073|12.919352|8.124968|7.415969|5.460389|3.852577|3.608344|4.054696|0.041413|0.041842|0.041801|0.049783|0.049674|0.062977|0.062884|0.048005|0.048647|0.060307|0.055814|0.051711|0.051275|0.054710|0.075391|0.077071|0.087414|0.085564|0.113592|0.107896|0.124527|0.500000| |1.357875|2.066584|0.043196|1.559772|1.776674|2.560521|1.826433|0.052647|1.593138|1.875342|1.960953|1.942504|1.843730|1.772209|1.785505|2.157276|2.487206|3.990482|3.576861|3.570340|4.216118|5.587757|5.730661|4.358955|5.316979|5.651210|7.588980|43.875597|10.393026|7.787589|12.236354|17.511335|8.782721|6.719373|6.292118|0.036957|0.036551|0.036636|0.041702|0.041483|0.049651|0.051003|0.042907|0.042462|0.055734|0.054760|0.049952|0.046812|0.047423|0.060772|0.058599|0.066133|0.069671|0.078666|0.084426|0.105557|0.180010|0.500000| |1.252682|1.889424|0.039588|1.430672|1.612720|2.279034|1.620246|0.046753|1.435588|1.637859|1.696694|1.668195|1.587775|1.539283|1.561033|1.886856|2.151553|3.365401|2.960946|3.024737|3.636870|4.756748|4.603082|3.511948|4.349760|4.735783|6.251177|46.488642|13.071714|8.341121|12.342931|17.666247|8.678194|5.696855|5.781049|0.034069|0.033998|0.033767|0.038225|0.038473|0.045328|0.046480|0.038701|0.038289|0.048402|0.046909|0.043009|0.040865|0.041847|0.052405|0.051830|0.058608|0.059673|0.066465|0.073117|0.095320|0.148343|0.300529|0.500000| |1.203367|1.803738|0.037719|1.340920|1.493555|2.146896|1.563768|0.045081|1.391852|1.620294|1.717336|1.733991|1.648909|1.562590|1.549978|1.755608|1.971011|3.008120|2.542219|2.601920|2.966725|3.451083|3.347489|2.846966|3.604608|4.106804|5.016946|28.286822|6.679896|5.949595|7.921082|8.732765|17.590990|8.677844|5.639710|0.033069|0.032407|0.032498|0.035967|0.035788|0.041331|0.042795|0.038004|0.037197|0.048911|0.049785|0.045421|0.041501|0.040993|0.049736|0.047351|0.052649|0.056202|0.059466|0.065210|0.079650|0.098785|0.218438|0.194547|0.500000| |1.178394|1.762224|0.037082|1.311364|1.457121|2.063206|1.500888|0.043601|1.343798|1.530115|1.614807|1.606842|1.516757|1.445923|1.451334|1.671683|1.890641|2.847531|2.425151|2.560407|3.020310|3.512025|3.220533|2.676351|3.310393|3.778064|4.551107|32.236524|7.551337|7.038330|9.466655|8.865321|17.564373|8.807450|6.779784|0.032378|0.031941|0.031675|0.034979|0.035282|0.040371|0.042132|0.036719|0.035736|0.046456|0.046009|0.041461|0.038294|0.038551|0.046658|0.045222|0.051460|0.053750|0.055688|0.064566|0.083897|0.094110|0.174323|0.219876|0.301362|0.500000| |1.376387|2.087090|0.044020|1.533196|1.725127|2.506844|1.857994|0.054460|1.626769|1.938718|2.109085|2.124273|1.962856|1.823418|1.813287|2.056149|2.376081|3.592200|3.086210|3.309752|3.825144|4.179353|3.791054|3.287414|3.919577|4.495318|5.144624|31.545998|6.517827|6.917042|9.044755|6.830231|8.832238|17.548074|8.819138|0.038018|0.036847|0.036871|0.040719|0.040630|0.047033|0.049963|0.044688|0.042934|0.061167|0.061991|0.053622|0.047540|0.047163|0.058298|0.054169|0.062910|0.069890|0.068875|0.083436|0.104410|0.102376|0.188589|0.137934|0.217503|0.173994|0.500000| |1.268481|1.902925|0.040300|1.392847|1.546598|2.211467|1.644948|0.048369|1.465816|1.694834|1.834835|1.838484|1.700758|1.587439|1.584726|1.777615|2.030673|2.991754|2.525080|2.755303|3.212574|3.439092|3.045942|2.646097|3.193119|3.720808|4.209903|28.386996|5.976817|6.729698|7.957930|5.667185|8.672670|17.592993|8.725736|0.035162|0.034182|0.033902|0.036936|0.037256|0.042166|0.045000|0.040496|0.038658|0.053544|0.053726|0.046549|0.041560|0.041472|0.049850|0.047104|0.054852|0.059440|0.057454|0.071278|0.092143|0.083303|0.136525|0.125923|0.196192|0.216238|0.302037|0.500000| |1.351146|2.041496|0.043659|1.508142|1.691658|2.372218|1.743124|0.051891|1.546421|1.746863|1.864783|1.811692|1.662176|1.576837|1.610958|1.910543|2.240419|3.298597|2.881865|3.324959|4.241008|4.557755|3.624022|2.996255|3.450611|3.961950|4.483030|44.273015|8.182173|11.962478|12.363611|6.038920|6.434576|8.701802|17.617659|0.037229|0.036713|0.035837|0.039568|0.040694|0.046353|0.050030|0.042415|0.040419|0.055111|0.052080|0.044682|0.041054|0.042487|0.052346|0.050899|0.062167|0.064906|0.062119|0.085045|0.130288|0.096496|0.134803|0.139766|0.132767|0.178441|0.174818|0.219853|0.500000| 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