Version2.1 2021-01-08T21:12:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc2nnc(n2c3ccc(cc3)Cl)[C@H](C)[NH+](C)C C09103655 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc2nnc(n2c3ccc(cc3)Cl)[C@H](C)[NH+](C)C C01[X(C21H24Cl1N6O3S1)] 162 C1 536 O=C(Nc1ccc(cc1[N+](=O)[O-])C)CSc1nnc(n1c1ccc(cc1)Cl)[C@@H]([NH+](C)C)C O=C(Nc1ccc(cc1[N+](=O)[O-])C)CSc1nnc(n1c1ccc(cc1)Cl)[C@@H]([NH+](C)C)C C[C@H]([NH+](C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2[N+]([O-])=O)n1c3ccc(Cl)cc3 InChIKey=BAYZMLVPDGLNAG-AWEZNQCLSA-O InChI=1S/C21H23ClN6O3S/c1-13-5-10-17(18(11-13)28(30)31)23-19(29)12-32-21-25-24-20(14(2)26(3)4)27(21)16-8-6-15(22)7-9-16/h5-11,14H,12H2,1-4H3,(H,23,29)/p+1/t14-/m0/s1 InChI=1/C21H23ClN6O3S/c1-13-5-10-17(18(11-13)28(30)31)23-19(29)12-32-21-25-24-20(14(2)26(3)4)27(21)16-8-6-15(22)7-9-16/h5-11,14H,12H2,1-4H3,(H,23,29)/p+1/t14-/m0/s1/fC21H24ClN6O3S/h23,26H/q+1 Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc2nnc(n2c3ccc(cc3)Cl)[C@H](C)[NH+](C)C C01[X(C21H24Cl1N6O3S1)] 162 C01 536 O=C(Nc1ccc(cc1[N+](=O)[O-])C)CSc1nnc(n1c1ccc(cc1)Cl)[C@@H]([NH+](C)C)C O=C(N[C]1[CH][CH][C]([CH][C]1[N]([O])[O])C)CS[C]1[N][N][C]([N@@]1[C]1[CH][CH][C]([CH][CH]1)Cl)[C@@H]([NH](C)C)C C[C]1[CH][CH][C](NC(=O)CS[C]2[N][N][C]([C@H](C)[NH](C)C)N2[C]3[CH][CH][C](Cl)[CH][CH]3)[C]([CH]1)N([O])[O] InChIKey=RNFRFZVEWXZOAG-AWEZNQCLSA-N InChI=1S/C21H24ClN6O3S/c1-13-5-10-17(18(11-13)28(30)31)23-19(29)12-32-21-25-24-20(14(2)26(3)4)27(21)16-8-6-15(22)7-9-16/h5-11,14,26H,12H2,1-4H3,(H,23,29)/t14-/m0/s1 InChI=1/C21H24ClN6O3S/c1-13-5-10-17(18(11-13)28(30)31)23-19(29)12-32-21-25-24-20(14(2)26(3)4)27(21)16-8-6-15(22)7-9-16/h5-11,14,26H,12H2,1-4H3,(H,23,29)/t14-/m0/s1/f/h23H 3376.9012386628 -2217.1512298 1-A 26636.4136 124 412 536 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124.6447 148.4961 157.5819 189.7812 197.3875 212.6620 228.9345 245.3595 263.3769 284.3786 302.4591 303.9680 309.3192 317.6906 338.8194 367.4750 378.4769 378.8651 414.1642 419.8125 441.9137 451.2016 461.7217 464.2218 478.7097 483.9429 518.5334 535.9204 538.1036 553.4321 587.7693 592.0534 618.3918 635.5145 671.0958 693.7217 733.6457 744.2570 768.0981 776.4308 786.7853 788.1895 801.8918 818.3548 828.3340 846.7495 870.9140 876.5277 897.9408 939.6993 945.2130 957.0736 957.8310 995.5390 1016.2908 1021.6697 1039.1984 1065.6032 1085.5231 1088.2194 1095.9000 1100.9628 1109.6367 1112.4518 1117.9019 1128.2000 1141.2242 1151.0759 1181.5285 1186.0170 1194.1275 1196.0687 1198.6234 1214.5925 1242.5214 1252.3552 1271.7448 1297.2589 1298.3912 1300.3989 1303.2453 1310.5712 1324.5593 1355.0954 1370.8225 1371.6497 1379.8343 1430.7455 1443.3282 1446.7411 1489.9320 1494.0689 1501.7883 1558.7316 1559.1604 1565.4558 1572.0799 1572.3945 1584.2825 1589.1695 1599.1129 1609.7587 1613.1841 1622.7707 1625.4627 1629.6289 1633.8376 1638.2197 1645.9218 1646.6754 1652.8278 1665.4017 1667.5387 1674.3313 1693.1201 1710.1750 1763.2437 1769.7844 1784.2703 1800.5003 1816.4970 1868.5033 1975.2559 3210.9829 3236.4664 3266.7826 3267.2926 3271.0584 3273.5988 3288.1372 3293.5604 3319.8446 3325.3610 3326.6973 3360.5104 3366.1762 3370.4319 3382.3606 3388.8352 3388.9248 3391.1377 3413.4648 3415.2012 3436.4449 3473.5042 3605.3643 3847.2954 9.2023 5.2685 9.1329 9.0890 4.3210 5.2334 3.9433 4.5182 1.0667 5.6759 4.6840 5.4373 3.2719 4.0556 7.1056 7.1622 5.8194 4.9492 5.0424 4.5185 5.6648 1.0600 4.4959 3.2580 1.1551 8.5383 3.6534 3.4011 2.4700 4.9291 7.4552 2.2787 3.9686 3.4449 5.1803 7.5068 3.6526 4.3097 2.9923 3.7781 3.0821 5.4310 4.8674 5.1722 3.9640 4.1203 4.6674 6.2714 2.6898 4.4192 7.2013 1.9758 1.8611 4.9000 7.4138 5.7113 4.9664 4.1096 7.0182 4.4903 5.6175 2.5136 7.8129 6.8470 5.4247 1.2561 1.3895 1.5586 2.9226 4.7606 1.9554 1.3973 5.3233 2.3987 1.8734 1.7538 6.5418 1.3893 1.6200 3.1177 1.3355 3.2562 1.1679 1.5262 1.5690 2.1120 1.9156 3.4431 3.2061 4.9509 2.4890 3.4546 1.1950 1.5283 2.0412 1.1368 2.1945 1.8637 2.7523 2.0042 1.8280 3.1646 2.6877 1.6115 1.3437 1.7691 1.5230 2.1651 2.6598 2.9063 1.8061 1.2343 1.2447 1.4786 1.3037 1.3087 3.2800 1.2301 1.1458 1.0729 1.0437 1.0688 1.1264 1.0989 1.1354 1.1171 2.8087 1.1212 2.7207 4.5501 2.6811 9.6149 7.2308 3.9580 5.4897 4.3349 7.1416 8.9849 1.0377 1.0374 1.1030 1.0326 1.0594 1.0335 1.0882 1.1026 1.1032 1.1038 1.1077 1.1104 1.1095 1.0925 1.0924 1.0961 1.1049 1.1087 1.0958 1.0962 1.0926 1.0934 1.0790 1.0786 0.0003 0.0006 0.0024 0.0048 0.0033 0.0047 0.0052 0.0067 0.0019 0.0137 0.0143 0.0235 0.0156 0.0269 0.0590 0.0656 0.0756 0.0724 0.1070 0.1037 0.1509 0.0327 0.1595 0.1332 0.0550 0.4602 0.1989 0.1917 0.1469 0.3334 0.5932 0.1923 0.3356 0.3482 0.5379 0.8637 0.4381 0.5413 0.3799 0.5101 0.4253 0.8604 0.8237 0.8824 0.7153 0.8387 0.9639 1.4130 0.6401 1.1726 2.0419 0.6266 0.6074 1.7033 2.6333 2.0830 1.8178 1.5570 2.7692 1.8152 2.3730 1.1233 3.5367 3.2527 2.8223 0.6612 0.7499 0.8425 1.7066 2.8970 1.2026 0.8891 3.5614 1.6653 1.3071 1.2410 4.6719 1.0079 1.1812 2.2955 1.0015 2.4986 0.9117 1.2553 1.3003 1.7744 1.6146 2.9145 2.7866 4.5034 2.3000 3.2919 1.1848 1.5179 2.0337 1.1376 2.2208 1.9265 2.9777 2.2190 2.0263 3.5500 3.2415 1.9779 1.6571 2.3138 2.0031 2.8771 3.8075 4.1626 2.6077 1.7973 1.8132 2.1865 1.9398 1.9718 5.0078 1.8860 1.7777 1.6702 1.6331 1.6810 1.7812 1.7539 1.8140 1.7980 4.5898 1.8370 4.4938 7.6850 4.6200 17.6125 13.3437 7.4242 10.4854 8.4274 14.6904 20.6544 6.3034 6.4023 6.9353 6.4944 6.6789 6.5252 6.9320 7.0467 7.1637 7.1916 7.2228 7.3884 7.4074 7.3123 7.3634 7.4164 7.4764 7.5120 7.5225 7.5330 7.6018 7.7722 8.2634 9.4066 0.5004 4.8972 0.6815 1.2003 2.5401 1.4520 0.0849 0.1952 0.0056 0.2868 0.4162 0.6166 5.3635 10.5350 2.6518 6.1329 4.9098 0.6484 13.0580 13.6782 5.6960 0.2757 0.3985 3.9286 1.3440 5.8060 0.6183 1.7624 9.2055 3.6083 1.7153 2.3976 3.2009 2.3289 1.6307 2.4105 1.9989 0.2672 0.1339 0.2815 3.3930 16.9931 6.4226 0.6394 12.0035 25.1449 39.7214 11.9319 6.3029 16.2727 0.4201 33.1572 46.5520 16.8917 0.8569 6.0412 13.0445 6.3502 4.2265 2.9903 5.1140 7.2091 34.4670 22.7732 17.6090 1.5478 36.7006 49.1005 33.7598 17.1277 10.1508 1.9928 24.9597 23.5239 4.7635 10.8959 21.6150 1.8259 13.4336 37.3699 3.8722 7.0265 9.4177 2.7105 16.2476 10.7483 0.5926 48.8949 98.0494 12.1480 121.1736 11.6984 20.1226 21.4941 13.6849 0.7934 264.3977 6.0903 15.8844 100.0559 86.0328 0.5682 35.7034 59.5302 0.0787 1.0447 37.3000 33.3438 9.5028 29.8355 77.8291 13.9196 5.2928 45.3935 22.0643 16.7151 416.5528 18.6792 39.4801 9.6442 6.3881 16.6025 59.3388 65.7538 65.6653 22.1403 117.9889 102.0096 123.4017 167.7272 741.5712 26.6146 5.4195 591.4513 12.4143 46.0071 294.0055 185.5642 34.2259 6.7365 21.5226 3.7321 14.5887 6.0061 3.0848 17.0419 8.7152 11.5296 0.0047 0.0712 4.8523 11.3789 4.8232 1.5042 2.4831 1.4598 0.1482 0.1620 1.8393 3.9999 128.9845 166.6711 1.9939 1.9412 2.3037 2.6390 1.5822 3.1303 1.2023 4.4903 0.1059 0.0930 0.2900 0.4156 2.1905 0.3321 0.9061 0.4264 1.3975 1.8157 1.3205 0.4561 0.9051 0.0336 0.7592 0.4950 0.2166 3.2694 1.5621 1.2251 0.8869 3.5537 2.4005 0.8965 2.4552 0.6689 1.5755 2.6938 4.2728 0.6181 0.1497 0.2426 1.3979 2.6581 3.0919 4.8505 1.4328 0.2398 1.9024 2.8613 1.0457 2.7924 5.0296 9.9052 1.5042 0.7841 2.5616 2.7318 3.7992 2.3884 7.7625 4.6180 37.5851 8.4386 1.9083 3.2437 45.2212 1.9360 0.8778 0.1311 6.5718 10.9797 1.6295 3.7386 1.9994 10.4589 5.1232 4.7630 3.8185 0.0535 12.5905 3.4378 0.8315 8.3592 1.4528 0.1125 7.0381 2.0912 0.7896 5.5334 11.0606 12.5736 36.4160 1.2660 5.0650 3.2931 6.3867 11.0420 8.4986 3.3522 21.9925 30.1091 20.2215 5.2258 1.3686 13.4635 0.7647 35.2264 13.2160 9.7489 0.3790 14.3655 20.3821 4.1775 18.5333 10.0196 15.5126 30.4706 102.6627 13.9002 15.4157 13.7225 21.4257 25.2845 14.8317 15.5134 12.7604 13.0860 15.0760 11.4644 20.1892 21.4233 10.1968 39.3998 10.8154 36.4578 76.8139 83.2179 41.3305 30.7993 195.5048 97.2701 107.0064 3.5196 54.2775 182.0037 52.1696 64.5795 66.0625 68.3436 30.2601 4.5482 114.4121 93.6550 42.2939 23.3865 53.9173 40.7093 74.9048 120.1954 52.3593 54.7827 25.4864 74.9368 0.7443 0.7500 0.7479 0.6911 0.7423 0.7290 0.7492 0.7489 0.7289 0.7498 0.7427 0.7082 0.7393 0.7177 0.3342 0.3012 0.1815 0.7242 0.7390 0.7254 0.4288 0.6841 0.2337 0.5971 0.5396 0.6984 0.3232 0.4440 0.4983 0.5448 0.5970 0.6004 0.6765 0.7166 0.4766 0.1524 0.1845 0.7469 0.3356 0.7091 0.1600 0.2153 0.3982 0.7367 0.4693 0.5998 0.7329 0.7070 0.7353 0.7061 0.7494 0.3097 0.4706 0.7478 0.7143 0.7040 0.6820 0.7359 0.1773 0.2332 0.1185 0.2116 0.6264 0.7444 0.1782 0.7491 0.7406 0.3181 0.4836 0.1022 0.5463 0.7317 0.3277 0.6025 0.7482 0.5222 0.3822 0.7187 0.7463 0.5144 0.7441 0.3337 0.7462 0.6064 0.0917 0.4713 0.6232 0.6210 0.0965 0.7305 0.3419 0.6972 0.2169 0.7489 0.3986 0.7375 0.4014 0.1732 0.2068 0.1180 0.1839 0.4124 0.5519 0.1707 0.6762 0.1427 0.2267 0.4757 0.3530 0.1812 0.1891 0.7029 0.5886 0.1454 0.2647 0.4632 0.1102 0.7024 0.6212 0.5449 0.7500 0.5834 0.7217 0.7459 0.4804 0.3851 0.7496 0.4939 0.1806 0.5675 0.6471 0.2628 0.3590 0.6202 0.4233 0.5489 0.3372 0.2424 0.0513 0.0282 0.7500 0.2835 0.0253 0.0254 0.2450 0.7500 0.3743 0.7110 0.7497 0.7500 0.6797 0.3291 0.4490 0.4996 0.6633 0.7181 0.2889 0.1841 0.2704 0.2100 0.1175 0.1410 0.8534 0.8571 0.8557 0.8174 0.8521 0.8433 0.8566 0.8565 0.8432 0.8570 0.8524 0.8292 0.8501 0.8356 0.5010 0.4629 0.3073 0.8401 0.8499 0.8409 0.6002 0.8124 0.3788 0.7477 0.7009 0.8225 0.4885 0.6149 0.6652 0.7054 0.7477 0.7503 0.8070 0.8349 0.6455 0.2645 0.3115 0.8551 0.5025 0.8298 0.2759 0.3543 0.5696 0.8484 0.6388 0.7499 0.8459 0.8283 0.8475 0.8277 0.8568 0.4729 0.6400 0.8557 0.8334 0.8263 0.8109 0.8479 0.3012 0.3782 0.2120 0.3494 0.7703 0.8535 0.3025 0.8566 0.8510 0.4827 0.6519 0.1854 0.7066 0.8451 0.4936 0.7520 0.8560 0.6862 0.5531 0.8364 0.8547 0.6793 0.8533 0.5004 0.8546 0.7550 0.1679 0.6407 0.7678 0.7662 0.1760 0.8443 0.5096 0.8216 0.3564 0.8564 0.5700 0.8489 0.5729 0.2953 0.3427 0.2111 0.3107 0.5840 0.7113 0.2916 0.8068 0.2497 0.3696 0.6447 0.5218 0.3068 0.3180 0.8255 0.7410 0.2539 0.4186 0.6331 0.1985 0.8252 0.7663 0.7054 0.8571 0.7369 0.8384 0.8545 0.6490 0.5561 0.8569 0.6612 0.3060 0.7241 0.7858 0.4162 0.5283 0.7656 0.5948 0.7088 0.5043 0.3903 0.0977 0.0548 0.8571 0.4417 0.0494 0.0496 0.3935 0.8571 0.5448 0.8311 0.8570 0.8571 0.8093 0.4952 0.6198 0.6663 0.7976 0.8359 0.4483 0.3109 0.4257 0.3470 0.2103 0.2471 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 6 6 6 6 6 6 6 7 8 8 7 6 8 6 16 6 7 7 6 7 6 6 6 6 6 6 17 6 1 6 7 1 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 1.00783 12.00000 14.00307 1.00783 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 10128.9401 39851.1462 48477.6651 0.99958 0.02889 -0.00023 -0.02888 0.99957 0.00476 0.00036 -0.00475 0.99999 1 0.00855 0.00217 0.00179 0.17818 0.04529 0.03723 10.08 20.75 30.54 43.16 51.91 56.22 68.16 71.93 79.67 92.26 103.42 123.10 129.61 152.60 170.80 179.34 213.65 226.73 273.05 284.00 305.97 329.39 353.02 378.94 409.16 435.17 437.34 445.04 457.09 487.49 528.71 544.54 545.10 595.89 604.02 635.82 649.18 664.31 667.91 688.76 696.29 746.05 771.07 774.21 796.27 845.67 851.83 889.73 914.36 965.56 998.11 1055.55 1070.82 1105.12 1117.11 1132.01 1134.03 1153.74 1177.43 1191.79 1218.28 1253.05 1261.13 1291.94 1352.02 1359.95 1377.02 1378.11 1432.36 1462.22 1469.95 1495.17 1533.17 1561.83 1565.71 1576.76 1584.04 1596.52 1600.57 1608.41 1623.23 1641.97 1656.14 1699.96 1706.41 1718.08 1720.88 1724.55 1747.53 1787.71 1801.86 1829.76 1866.47 1868.10 1870.98 1875.08 1885.62 1905.75 1949.68 1972.31 1973.50 1985.27 2058.52 2076.63 2081.54 2143.68 2149.63 2160.74 2242.67 2243.28 2252.34 2261.87 2262.32 2279.43 2286.46 2300.77 2316.08 2321.01 2334.81 2338.68 2344.67 2350.73 2357.03 2368.11 2369.20 2378.05 2396.14 2399.22 2408.99 2436.02 2460.56 2536.91 2546.33 2567.17 2590.52 2613.53 2688.36 2841.95 4619.89 4656.55 4700.17 4700.91 4706.32 4709.98 4730.90 4738.70 4776.52 4784.45 4786.38 4835.03 4843.18 4849.30 4866.46 4875.78 4875.91 4879.09 4911.21 4913.71 4944.28 4997.60 5187.32 5535.40 0.478044 0.507520 0.508464 0.410709 -2216.673186 -2216.643710 -2216.642766 -2216.740521 3.278719D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc2nnc(n2c3ccc(cc3)Cl)[C@H](C)[NH+](C)C C09103655 RHF 6-31G(d) (6D,10F) C1 475.131913 |X|Y|Z| 144.699881 71.411271 24.462877 63.228686 21 6 7 16 16 4 1 |36.858105| |12.616281|36.858105| |7.529398|13.671943|36.858105| |5.000157|7.844410|13.832943|36.858105| |4.375364|6.698110|7.891958|13.643772|36.858105| |5.001624|7.890253|6.968715|8.003636|13.591849|36.858105| |7.550906|13.843586|8.068491|6.908832|7.808645|13.676615|36.858105| |3.864311|5.147904|4.549207|5.082931|7.589323|13.073988|7.899706|53.358707| |3.833260|4.747684|3.958314|4.102097|5.371161|8.386051|7.214266|21.848245|73.516695| |3.168395|4.061507|3.862241|4.539571|6.763492|8.291845|5.445021|21.493158|16.103251|73.516695| |3.310753|4.488539|5.147539|7.801339|13.606417|7.784052|5.113870|8.856042|8.275231|12.878400|53.358707| |2.850375|3.662921|4.365284|6.367415|7.672674|5.109714|3.877752|6.087871|6.259358|8.798841|19.105014|36.858105| |2.855906|3.610942|4.540104|6.604104|6.471140|4.412841|3.599537|5.062957|5.427176|6.919669|11.363954|15.936959|73.516695| |2.356772|2.895110|3.259236|4.253006|5.069545|3.973016|3.119409|5.262190|5.596259|8.115524|10.851610|12.510295|14.256663|36.858105| |2.041586|2.420014|2.752674|3.425950|3.672018|2.984317|2.503495|3.884359|4.342760|5.664503|6.557860|7.038896|12.111865|10.484848|388.023441| |1.775000|2.062120|2.263722|2.705904|2.960042|2.552410|2.167878|3.480071|3.977520|5.175587|5.108845|4.691630|7.617446|7.092072|77.334802|36.858105| |1.748993|2.030431|2.184392|2.588257|2.913519|2.581133|2.175621|3.639811|4.171720|5.559554|5.045658|4.324038|6.673209|6.597787|49.540043|14.809335|53.358707| |1.555817|1.774661|1.889525|2.184562|2.414147|2.190859|1.890200|3.104069|3.642168|4.654462|3.994361|3.307477|5.308653|4.487435|35.174895|8.938276|19.050704|53.358707| |1.485967|1.683239|1.807601|2.078889|2.243745|2.020705|1.766394|2.806927|3.309973|4.118687|3.649566|3.084172|5.145462|4.020151|35.336676|8.899179|12.131952|20.317769|36.858105| |1.588104|1.811950|1.978846|2.307123|2.460524|2.162825|1.883032|2.941172|3.430522|4.283306|4.048885|3.584440|6.122905|4.736851|49.530745|13.890867|11.868373|11.949871|14.014844|53.358707| |1.526710|1.725571|1.900011|2.191974|2.271819|1.991929|1.763582|2.660204|3.126282|3.789801|3.633428|3.226563|5.806159|3.927008|42.351047|7.553775|7.256575|7.281978|7.567499|18.088776|36.858105| |1.504365|1.691583|1.874900|2.151069|2.189630|1.913635|1.710126|2.526030|2.970653|3.568456|3.449058|3.050119|5.616594|3.560371|37.066492|5.742285|5.898719|5.829270|5.527731|10.634143|13.748819|36.858105| |1.429642|1.589830|1.764050|1.993378|1.991460|1.751454|1.589002|2.293175|2.720495|3.191422|3.058153|2.662505|5.022403|2.956017|29.005755|4.144483|4.524897|4.494963|4.060881|6.998661|7.955228|13.769587|36.858105| |1.382283|1.529055|1.689345|1.893670|1.888316|1.672963|1.526424|2.193541|2.620061|3.032946|2.872107|2.478117|4.689737|2.716146|26.050485|3.702128|4.118802|4.126236|3.703223|6.195946|6.923693|7.967024|13.752301|36.858105| |1.400074|1.554556|1.708316|1.922064|1.940699|1.724865|1.564492|2.279901|2.725273|3.165307|2.976209|2.570092|4.799484|2.867784|27.678047|4.069568|4.501805|4.547562|4.152007|7.000081|7.953077|6.854965|7.900425|13.752816|36.858105| |1.470779|1.650204|1.809555|2.063720|2.124118|1.880160|1.680568|2.509516|2.978109|3.533711|3.335196|2.916045|5.315421|3.412278|34.457857|5.552419|5.849831|5.944334|5.761208|10.642410|13.751481|7.913148|6.858600|7.970003|13.769957|36.858105| |1.286112|1.404006|1.546105|1.702349|1.674476|1.498715|1.388523|1.956025|2.358285|2.671336|2.488361|2.101521|4.008211|2.227506|20.102310|2.781583|3.233757|3.238737|2.782895|4.383388|4.250438|4.783143|7.062569|11.008508|7.064119|4.784258|448.794386| |1.329837|1.485584|1.583237|1.787654|1.905645|1.743548|1.550413|2.423599|2.902236|3.506310|3.011316|2.482654|4.216406|3.050916|25.795625|5.262979|7.232393|10.645364|12.644171|10.097162|6.013022|4.834135|3.837146|3.590799|3.988547|5.141678|22.247696|36.858105| |1.293184|1.438596|1.535891|1.726154|1.823261|1.667791|1.492680|2.303033|2.769319|3.297849|2.853553|2.360220|4.071631|2.838765|24.479138|4.702718|6.111933|8.020047|8.861524|9.150890|6.321821|4.908591|4.073392|4.007779|4.652621|6.025586|24.549162|17.615139|0.500000| |1.277009|1.418922|1.514028|1.699407|1.793663|1.642329|1.471616|2.268186|2.720572|3.262828|2.803340|2.297829|3.940231|2.758214|23.106054|4.380322|5.913457|7.766640|7.606615|7.860311|5.209424|4.887726|3.938822|3.497793|3.598822|4.275630|22.162725|12.454130|0.245954|36.858105| |1.283063|1.428149|1.502576|1.683679|1.814173|1.688947|1.504212|2.387581|2.886374|3.468527|2.847756|2.286028|3.823845|2.785907|21.965155|4.290939|6.499049|9.775354|7.943076|7.009372|4.199868|3.514248|2.945480|2.830671|3.146286|3.867388|18.471819|12.542172|0.252090|7.486049|53.358707| |1.336878|1.495107|1.568507|1.765172|1.923072|1.794241|1.586297|2.560126|3.083845|3.763017|3.046262|2.428166|3.995696|3.011221|22.982999|4.595225|7.531630|12.333773|8.136757|7.019313|3.986456|3.380477|2.795979|2.642425|2.897362|3.561977|17.314301|9.383489|0.184549|6.598755|25.560576|0.500000| |1.172855|1.293037|1.352828|1.498074|1.602068|1.506348|1.357182|2.128863|2.598802|3.064058|2.471266|1.955493|3.297885|2.312386|17.910354|3.265531|4.833418|6.474513|5.091127|5.165855|3.339956|2.970929|2.592581|2.499137|2.701183|3.134874|16.901446|7.487705|0.178769|6.612967|17.383365|0.257742|36.858105| |1.282640|1.425941|1.494562|1.669765|1.802833|1.687665|1.505205|2.394769|2.911970|3.462658|2.817038|2.250737|3.768693|2.714938|21.186334|3.990320|5.961104|8.090962|6.282680|6.280484|3.887597|3.159030|2.724711|2.725135|3.145374|3.870984|17.996652|7.646877|0.208452|4.961628|17.329308|0.260969|7.780956|36.858105| |17.553370|8.848874|6.679006|4.582653|3.932970|4.297993|5.895240|4.639507|5.939774|5.129401|4.169877|2.686615|4.828825|2.239519|13.964078|1.711177|2.289427|2.045001|1.440011|2.094646|1.485422|1.476899|1.408106|1.355106|1.362171|1.424884|10.163316|1.293512|0.034906|1.251527|1.693707|0.035989|1.142086|1.236523|0.500000| |17.592127|8.846915|5.562228|4.158592|3.919143|4.734884|7.236207|5.310366|7.254448|5.608408|4.157042|2.611485|4.564353|2.211532|13.569959|1.687277|2.285953|2.045279|1.428585|2.059643|1.447624|1.420713|1.347796|1.305483|1.326712|1.396736|9.752719|1.283602|0.034632|1.231392|1.698164|0.036170|1.144102|1.249868|0.301882|0.500000| |17.555282|8.850895|6.704589|4.588226|3.929337|4.288554|5.877585|4.627657|6.004727|5.065116|4.165139|2.709021|4.918096|2.247771|14.111293|1.720782|2.291788|2.046755|1.445742|2.109548|1.501793|1.478039|1.414372|1.377174|1.396918|1.458901|10.347481|1.298112|0.035256|1.243628|1.702040|0.036022|1.143481|1.255948|0.302098|0.301918|0.500000| |6.985679|8.909991|17.705954|9.028999|5.646493|5.000861|5.701778|4.926278|5.773992|5.654026|5.698572|3.811332|7.372699|2.924878|18.351981|2.123257|2.759361|2.411754|1.714574|2.563830|1.835482|1.829154|1.742520|1.672562|1.678155|1.756262|12.425563|1.513866|0.040998|1.455931|1.946124|0.041218|1.293445|1.420413|0.189100|0.140213|0.190480|0.500000| |4.095637|5.624128|8.980026|17.844676|8.939981|5.680695|4.980815|5.601508|6.043698|6.922013|9.733489|7.062276|15.363963|4.532394|27.231041|2.897806|3.671903|3.085471|2.186596|3.366078|2.382112|2.361079|2.194473|2.073917|2.088936|2.232902|14.917947|1.871771|0.050367|1.784447|2.366565|0.050389|1.541817|1.717146|0.108286|0.095981|0.108545|0.219008|0.500000| |6.952220|8.943596|5.693385|4.977275|5.618009|8.989183|17.793147|10.156498|14.830812|9.062294|5.679788|3.271842|5.382317|2.757302|15.952618|1.991051|2.749638|2.418955|1.656282|2.375494|1.632141|1.579625|1.470896|1.417581|1.455517|1.561355|10.396012|1.466167|0.039208|1.392477|1.953485|0.042067|1.302691|1.439865|0.151838|0.220297|0.151221|0.124596|0.108107|0.500000| |3.058845|4.021700|4.298416|5.792156|9.416230|7.419544|4.820311|10.318484|9.236197|18.211074|26.040921|9.438331|10.825957|7.799118|32.134927|3.795784|5.366300|4.222939|2.757928|4.060336|2.613289|2.454082|2.157162|2.026099|2.112878|2.390972|14.053272|2.268592|0.059143|2.100766|2.966264|0.065549|1.886856|2.155778|0.078662|0.080587|0.078044|0.098681|0.145671|0.114635|0.500000| |2.292551|2.797671|3.057798|3.873821|4.753099|3.943567|3.082035|5.493112|5.891724|8.692711|9.733080|8.832248|10.966558|17.620998|56.225300|6.710134|9.432074|6.396580|4.061081|6.229530|3.717855|3.251823|2.728759|2.570558|2.781921|3.345328|17.017555|3.083430|0.079915|2.707171|3.946427|0.087651|2.380879|2.904005|0.059815|0.060517|0.060978|0.075767|0.110236|0.076903|0.215958|0.500000| |2.283945|2.784321|3.082333|3.933882|4.721120|3.837905|3.026801|5.220560|5.556017|8.299257|9.671570|8.842217|11.027024|17.617498|56.215114|6.686239|9.384365|6.367826|4.045192|6.208039|3.701735|3.452429|2.840693|2.560057|2.655643|3.137060|16.955957|3.081178|0.077808|2.852012|3.857451|0.086724|2.370573|2.687048|0.060946|0.059948|0.059785|0.076870|0.114116|0.075132|0.211328|0.302623|0.500000| |1.532929|1.728145|1.916273|2.205908|2.252529|1.964478|1.750197|2.594372|3.038020|3.684807|3.565202|3.142023|5.718584|3.693751|37.188643|5.783277|6.106795|5.952415|5.395334|9.766674|8.912420|17.729641|8.919260|5.656673|4.943750|5.637111|31.642596|4.632954|0.122678|5.009515|4.674317|0.094290|2.938262|2.996421|0.042000|0.040205|0.041564|0.051809|0.067233|0.044860|0.070709|0.091545|0.103186|0.500000| |1.399406|1.547370|1.718678|1.927066|1.906480|1.681115|1.536847|2.190670|2.605352|3.032093|2.891724|2.489163|4.723126|2.703243|25.425603|3.543139|3.994965|3.953987|3.449575|5.670162|5.651814|8.913006|17.758286|8.920075|5.635332|4.947803|53.930274|3.310838|0.095532|3.536062|3.565592|0.069736|2.364836|2.406667|0.038526|0.036597|0.038434|0.047479|0.059023|0.039545|0.056504|0.068794|0.073204|0.214542|0.500000| |1.351661|1.491424|1.630727|1.817392|1.829940|1.640431|1.498497|2.170649|2.613143|2.993202|2.772593|2.359886|4.408354|2.586949|23.888317|3.461349|3.967058|4.017353|3.548693|5.671296|5.650244|4.945850|5.635427|8.920708|17.757336|8.909586|53.952947|3.484999|0.113663|3.122238|3.919242|0.073412|2.514317|2.971072|0.036449|0.035652|0.037649|0.044617|0.054542|0.038873|0.054721|0.070785|0.066302|0.107423|0.124163|0.500000| |1.472744|1.653624|1.799440|2.049197|2.132878|1.903272|1.696561|2.564760|3.054152|3.620354|3.355050|2.899846|5.197136|3.420144|32.920843|5.456791|6.013317|6.171655|5.790558|9.775562|8.911468|5.636543|4.945499|5.658577|8.922587|17.724108|31.652400|5.133103|0.169988|3.990501|5.557071|0.103833|3.232955|4.374108|0.039397|0.039009|0.040633|0.048227|0.060938|0.043943|0.067418|0.096622|0.086267|0.124083|0.107455|0.214556|0.500000| |1.295854|1.442080|1.533303|1.722223|1.829973|1.681671|1.502659|2.336620|2.798955|3.383956|2.867841|2.327221|3.941635|2.808927|22.711521|4.299775|6.105780|8.041059|6.883259|7.099130|4.459872|4.304791|3.471399|3.043657|3.089513|3.631734|19.735713|8.768697|0.173076|17.581922|9.269682|0.190315|6.261629|4.490219|0.035343|0.034778|0.034878|0.040807|0.049990|0.039560|0.060213|0.076257|0.082784|0.129569|0.088934|0.075290|0.095347|0.500000| |1.306488|1.453129|1.563729|1.760393|1.839593|1.667512|1.496071|2.276068|2.718198|3.257188|2.874123|2.390362|4.160307|2.848051|24.823573|4.576115|5.776808|6.999890|7.041292|8.537730|6.225275|6.359536|4.934050|4.142343|4.089520|4.794586|25.390700|8.945500|0.212737|17.611886|7.504764|0.140249|4.846254|4.138623|0.035659|0.034823|0.035393|0.041968|0.051848|0.039116|0.059113|0.076031|0.081318|0.183952|0.122013|0.095297|0.117146|0.302173|0.500000| |1.191118|1.313647|1.395559|1.551573|1.628752|1.503303|1.358749|2.076601|2.510521|2.964358|2.511669|2.036166|3.514408|2.389223|19.663845|3.537631|4.790011|6.043145|5.512143|6.078962|4.285297|4.114944|3.553356|3.253886|3.326132|3.769500|21.394564|8.733299|0.213889|17.612936|9.037715|0.154987|7.108928|4.639869|0.032468|0.031978|0.032297|0.037422|0.045115|0.035872|0.052202|0.065524|0.068201|0.114639|0.090405|0.082174|0.098813|0.298754|0.303621|0.500000| |1.167077|1.285832|1.345886|1.489506|1.590522|1.494887|1.348161|2.109661|2.571794|3.039120|2.450629|1.934962|3.262251|2.282556|17.587867|3.182609|4.717277|6.223382|4.820785|4.978309|3.223919|2.967494|2.579932|2.431941|2.561927|2.938047|16.522331|6.759802|0.153663|7.311604|12.251715|0.224282|17.695777|5.635722|0.031687|0.031613|0.031515|0.035774|0.042608|0.035939|0.051986|0.064416|0.065985|0.083634|0.066317|0.065603|0.082030|0.214549|0.143981|0.224330|0.500000| |1.127395|1.237860|1.297833|1.431578|1.517900|1.425140|1.291563|1.999579|2.446870|2.853553|2.324639|1.846544|3.150814|2.154202|16.962046|3.017808|4.302379|5.520964|4.560418|4.871948|3.309885|2.961789|2.646964|2.596650|2.814944|3.199620|17.716136|6.869614|0.188290|6.266970|12.292993|0.180199|17.645319|6.935782|0.030521|0.030507|0.030647|0.034636|0.041067|0.034420|0.048887|0.061305|0.060653|0.079833|0.066982|0.073489|0.091343|0.151340|0.133071|0.208518|0.298798|0.500000| |1.148048|1.262536|1.311886|1.446219|1.553443|1.474344|1.330985|2.100673|2.580826|3.023614|2.384256|1.863174|3.125504|2.187512|16.514085|2.949317|4.445907|5.773743|4.268196|4.482277|2.896166|2.582787|2.282552|2.221121|2.406708|2.764774|15.270601|5.526520|0.137736|4.857610|12.381965|0.220449|17.654423|7.379059|0.030997|0.031237|0.031079|0.034765|0.041067|0.035670|0.050880|0.063290|0.062280|0.071054|0.058243|0.063154|0.080411|0.133583|0.106258|0.141309|0.300719|0.299687|0.500000| 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