Version2.0 2020-02-29T06:16:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)CC[NH2+]CC(=O)Nc2ccc(cc2C(=O)Nc3cc(cc(c3)OC)OC)[N+](=O)[O-] C20155090 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)CC[NH2+]CC(=O)Nc2ccc(cc2C(=O)Nc3cc(cc(c3)OC)OC)[N+](=O)[O-] C01[X(C26H29N4O6)] 189 C1 598 COc1cc(cc(c1)OC)NC(=O)c1cc(ccc1NC(=O)C[NH2+]CCc1ccc(cc1)C)[N+](=O)[O-] COc1cc(cc(c1)OC)NC(=O)c1cc(ccc1NC(=O)C[NH2+]CCc1ccc(cc1)C)[N+](=O)[O-] COc1cc(NC(=O)c2cc(ccc2NC(=O)C[NH2+]CCc3ccc(C)cc3)[N+]([O-])=O)cc(OC)c1 InChIKey=YFCMJTUBYVVDLH-UHFFFAOYSA-O InChI=1S/C26H28N4O6/c1-17-4-6-18(7-5-17)10-11-27-16-25(31)29-24-9-8-20(30(33)34)14-23(24)26(32)28-19-12-21(35-2)15-22(13-19)36-3/h4-9,12-15,27H,10-11,16H2,1-3H3,(H,28,32)(H,29,31)/p+1 InChI=1/C26H28N4O6/c1-17-4-6-18(7-5-17)10-11-27-16-25(31)29-24-9-8-20(30(33)34)14-23(24)26(32)28-19-12-21(35-2)15-22(13-19)36-3/h4-9,12-15,27H,10-11,16H2,1-3H3,(H,28,32)(H,29,31)/p+1/fC26H29N4O6/h27-29H/q+1 Cc1ccc(cc1)CC[NH2+]CC(=O)Nc2ccc(cc2C(=O)Nc3cc(cc(c3)OC)OC)[N+](=O)[O-] C01[X(C26H29N4O6)] 189 C01 598 COc1cc(cc(c1)OC)NC(=O)c1cc(ccc1NC(=O)C[NH2+]CCc1ccc(cc1)C)[N+](=O)[O-] COc1cc(cc(c1)OC)NC(=O)c1cc(ccc1NC(=O)C[NH2]CCc1ccc(cc1)C)N(O)O COc1cc(NC(=O)c2cc(ccc2NC(=O)C[NH2]CCc3ccc(C)cc3)N(O)O)cc(OC)c1 InChIKey=UCUJQDDRWWKDBJ-UHFFFAOYSA-N InChI=1S/C26H31N4O6/c1-17-4-6-18(7-5-17)10-11-27-16-25(31)29-24-9-8-20(30(33)34)14-23(24)26(32)28-19-12-21(35-2)15-22(13-19)36-3/h4-9,12-15,33-34H,10-11,16,27H2,1-3H3,(H,28,32)(H,29,31) InChI=1/C26H31N4O6/c1-17-4-6-18(7-5-17)10-11-27-16-25(31)29-24-9-8-20(30(33)34)14-23(24)26(32)28-19-12-21(35-2)15-22(13-19)36-3/h4-9,12-15,33-34H,10-11,16,27H2,1-3H3,(H,28,32)(H,29,31)/f/h28-29H 3463.2012878567 -1668.1387094 1-A 35862.7039 130 468 598 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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| 7.2161 9.5118 12.3930 17.2464 25.6251 30.2021 37.0565 44.6630 55.0443 58.3780 62.5456 72.2019 76.6934 81.7732 97.9334 109.2719 117.1507 127.1618 149.4412 152.5521 172.0947 176.1799 185.2244 209.3205 224.7585 236.1593 249.4844 264.0051 286.5648 291.3967 311.1855 312.5006 323.0486 344.7288 352.2286 368.5893 390.5738 414.6824 425.4471 440.2759 449.9385 456.4955 485.8534 490.9455 514.8998 536.4652 546.4144 573.0661 580.1771 599.3185 609.2696 634.6207 651.1047 665.0310 689.8432 700.2535 700.8580 703.7484 714.1258 761.4108 766.8926 783.6539 798.1269 818.9486 824.3716 832.3881 845.4541 857.7112 888.7096 895.5461 902.4972 913.4353 921.4753 926.9692 934.4256 953.2685 954.1568 963.9749 978.6965 1026.4616 1036.0470 1047.4714 1058.3538 1064.1898 1074.5314 1080.9615 1081.7132 1087.2837 1093.3399 1101.3925 1107.5162 1116.1436 1135.4316 1166.0308 1168.8569 1175.5632 1190.6665 1203.6485 1204.3291 1211.9885 1242.8050 1252.3188 1264.8860 1267.5030 1289.9179 1292.4593 1292.7254 1309.4564 1313.0381 1315.9338 1319.3257 1325.7328 1333.3318 1334.0651 1337.0389 1384.9787 1401.3397 1414.7903 1426.1772 1429.6484 1444.1435 1447.8823 1468.1526 1478.2331 1498.3104 1507.4807 1536.5525 1562.4743 1569.2881 1572.0152 1576.5777 1601.0380 1610.3034 1623.3132 1626.0500 1631.6285 1634.3697 1635.2086 1635.9024 1644.1801 1647.8498 1650.9007 1652.5598 1653.9658 1654.7288 1659.6000 1661.1363 1693.7303 1733.5523 1754.1607 1772.6100 1794.6590 1798.7788 1812.9362 1815.5155 1821.2390 1836.9901 1879.6562 1904.9382 1952.5572 3208.2489 3211.4257 3216.2976 3217.6047 3249.3079 3271.6125 3274.7938 3281.1058 3283.1790 3284.8424 3292.6758 3338.0830 3339.5094 3342.3085 3343.8934 3345.3839 3346.1722 3374.4443 3376.4956 3381.2653 3438.2089 3439.3213 3448.4439 3468.3727 3474.6619 3623.4996 3672.6867 3708.5567 3891.7080 5.4068 4.4596 5.8954 3.0371 1.2153 5.8754 3.5828 7.1787 9.0560 4.9414 4.9006 4.4781 3.0637 4.1513 4.2786 4.9222 2.3146 5.6076 3.8464 4.8103 5.6430 4.0310 3.6375 1.8173 5.1355 5.3794 1.7164 5.8845 2.0283 2.8904 2.4573 2.1387 3.5958 5.2126 5.0534 6.2662 6.2931 2.4593 8.1573 4.6947 5.7680 2.9273 4.3690 4.8879 5.5333 5.2721 3.6065 4.4807 4.2554 3.4951 3.4814 1.7140 2.5581 4.0736 4.1245 3.8011 5.3619 6.6864 6.8116 2.0265 4.6216 3.2638 5.4201 3.7580 2.1399 1.5654 1.6692 4.5851 2.7101 2.3398 1.8416 3.2208 1.5126 1.7231 1.8354 1.2502 1.8033 4.7381 1.5156 6.0275 3.9142 3.2079 3.3521 5.0893 2.6324 1.4567 4.2918 1.6987 1.6331 1.3704 3.1426 2.9619 1.3581 2.7825 1.8260 1.5604 3.2044 1.8510 2.4257 2.3094 2.7121 3.5055 1.3739 1.9400 3.5631 1.2663 1.2642 2.7810 1.3789 1.7413 2.0550 2.2700 2.1696 2.2563 1.8051 2.2655 1.5864 1.2924 1.6976 1.6456 1.5094 1.6942 1.2241 1.1955 1.3234 5.0728 1.2699 1.6385 1.2407 2.5488 2.1823 1.5000 2.0770 1.5990 1.1232 2.0796 1.0515 1.1070 1.1022 2.7853 1.0920 1.0509 1.0488 2.1130 1.8659 1.1844 1.2070 2.4603 2.7520 2.9045 5.5021 3.6861 6.1413 4.5656 3.3195 5.4770 1.0740 11.6764 5.6871 7.8182 1.0609 1.0390 1.0340 1.0341 1.1067 1.0997 1.0610 1.0605 1.1080 1.1081 1.1043 1.1026 1.1104 1.1025 1.1030 1.0953 1.0947 1.0946 1.0953 1.0930 1.0936 1.0929 1.0909 1.0942 1.0930 1.0627 1.0823 1.0880 1.0781 0.0002 0.0002 0.0005 0.0005 0.0005 0.0032 0.0029 0.0084 0.0162 0.0099 0.0113 0.0138 0.0106 0.0164 0.0242 0.0346 0.0187 0.0534 0.0506 0.0660 0.0985 0.0737 0.0735 0.0469 0.1528 0.1768 0.0629 0.2416 0.0981 0.1446 0.1402 0.1231 0.2211 0.3650 0.3694 0.5016 0.5656 0.2492 0.8699 0.5362 0.6880 0.3594 0.6076 0.6941 0.8643 0.8940 0.6344 0.8670 0.8439 0.7396 0.7614 0.4067 0.6390 1.0615 1.1564 1.0982 1.5518 1.9511 2.0467 0.6922 1.6015 1.1809 2.0342 1.4850 0.8568 0.6390 0.7030 1.9874 1.2611 1.1056 0.8837 1.5833 0.7567 0.8723 0.9442 0.6693 0.9673 2.5941 0.8553 3.7417 2.4754 2.0738 2.2122 3.3958 1.7908 1.0028 2.9588 1.1832 1.1502 0.9795 2.2711 2.1740 1.0316 2.2289 1.4698 1.2705 2.6766 1.5800 2.0729 1.9987 2.4681 3.2392 1.2951 1.8363 3.4930 1.2463 1.2448 2.8096 1.4007 1.7766 2.1075 2.3507 2.2725 2.3659 1.9012 2.5603 1.8355 1.5241 2.0344 1.9817 1.8547 2.0926 1.5546 1.5392 1.7504 6.7920 1.7665 2.3567 1.8001 3.7110 3.1959 2.2654 3.1732 2.4826 1.7497 3.2619 1.6549 1.7440 1.7380 4.4363 1.7470 1.6875 1.6876 3.4057 3.0102 1.9220 1.9622 4.1585 4.8727 5.2658 10.1861 6.9950 11.7076 8.8413 6.4466 10.7035 2.1353 24.3061 12.1591 17.5617 6.4335 6.3136 6.3021 6.3080 6.8846 6.9347 6.7041 6.7265 7.0367 7.0449 7.0539 7.2385 7.2961 7.2567 7.2668 7.2220 7.2220 7.3435 7.3572 7.3628 7.6168 7.6169 7.6436 7.7555 7.7748 8.2209 8.6015 8.8166 9.6203 0.2224 1.4464 1.7786 0.4328 0.5587 1.7375 0.8085 0.6027 0.3798 1.0888 3.4461 0.2830 0.1025 5.7283 17.7158 10.6730 7.6099 2.8523 5.7688 10.8882 3.4441 2.5857 0.5687 1.7975 0.9960 0.3961 0.0099 2.0955 0.8256 1.4673 0.3487 4.7589 5.8025 3.7687 24.6636 14.7944 30.1146 0.0314 13.8105 26.2482 16.6064 0.0120 0.6734 9.0426 8.2045 5.7111 5.7157 5.1285 12.2407 27.4258 5.5681 37.9497 22.1883 10.1500 1.2704 9.6608 29.5134 0.2813 11.6749 8.0899 7.2371 0.1931 12.0174 15.4157 5.1904 4.4476 10.5560 62.4110 62.0544 7.2288 19.7490 16.3712 13.7319 26.6456 80.5158 0.1931 81.7891 38.5881 41.3625 31.8855 55.8640 11.4434 64.1371 18.6692 5.7378 0.5910 2.9313 7.9927 0.4631 0.0534 19.7591 1.5415 0.2411 9.4353 0.3578 9.7977 18.9023 1.7706 46.1390 70.9448 4.5434 65.0067 6.3173 22.5949 56.2888 0.3627 5.9037 1.4513 1.0361 109.4741 103.7131 2.1166 5.4220 20.4141 30.9347 200.5064 25.9674 0.9379 175.2492 232.9168 172.3538 332.6909 18.8356 4.3169 189.2465 267.1659 7.7234 8.9659 2.8811 283.6152 14.4612 271.7952 35.0807 174.6446 56.5970 177.7914 6.1457 11.1071 1.6564 362.3194 11.0648 0.6975 15.8781 81.9745 34.1476 7.9483 98.9246 21.1833 764.6284 298.7403 0.3970 623.8964 154.5740 314.1339 245.9584 10.5414 46.5033 543.1609 197.0319 308.9576 26.5145 24.1720 29.7912 61.2203 10.3547 20.1079 5.3455 3.4525 34.7360 57.2727 17.6880 34.9573 0.4178 29.0163 1.2944 18.0773 16.5345 25.2284 2.7055 3.3249 5.4263 3.1444 2.3804 3.9770 2.8779 101.1662 468.5475 80.0929 41.0773 2.9476 2.2982 1.8507 5.0935 1.1418 1.3304 2.1044 3.2660 1.1266 1.4230 0.7352 1.3365 0.2126 0.1438 0.6500 0.4298 0.4751 0.8109 2.2801 0.5918 3.6088 0.3749 1.4975 0.9568 0.3059 2.3913 1.8130 0.5477 0.7008 1.1175 0.0723 0.3817 1.7057 2.3933 3.4528 3.8621 1.6682 0.0118 2.3615 0.6972 2.1121 0.0010 3.1240 1.3239 1.8241 1.0065 2.0881 1.4706 3.6625 1.2685 0.9568 2.1907 1.2906 0.8662 1.2823 1.9533 7.0279 6.3754 6.9871 0.3379 1.0452 1.1866 3.1539 0.5124 3.8391 2.2576 6.0005 6.4298 4.6708 14.2641 14.6364 2.7503 2.0123 3.1320 0.4949 2.9077 2.4625 15.0812 1.6335 8.6925 8.1082 11.9738 5.0193 2.6786 9.1864 1.0052 34.0997 7.3479 1.8327 0.0629 4.4238 0.1421 1.6240 31.6909 11.2461 0.4816 3.3319 0.3171 4.0895 3.8849 26.4318 13.3181 6.0782 43.1920 3.0784 0.5351 8.7393 21.5655 0.9022 10.1571 5.9905 1.5436 2.5903 19.2251 15.4988 1.9032 27.5279 11.5294 37.9644 25.8552 7.1140 49.5962 3.2045 1.8193 11.4031 40.6400 16.2468 3.9494 16.8820 16.8092 1.3015 22.6273 10.6332 24.7767 4.4332 61.3147 18.9586 14.2893 32.2626 101.6206 4.0459 24.4492 26.9862 25.6812 4.1561 20.7064 8.3043 0.3875 2.5826 88.2224 5.7180 109.1908 141.8877 31.8016 21.1011 72.0084 5.0277 3.2937 91.3399 52.4325 70.2117 195.7391 65.7624 143.5235 51.7408 98.1792 17.4475 70.2846 36.0629 53.0214 63.6582 113.6388 18.4064 134.8362 63.8296 28.9966 36.7345 33.4469 202.5234 62.0642 70.5869 31.8242 69.8922 74.9897 38.4295 38.0157 126.3115 24.3641 48.1970 0.7467 0.7447 0.7465 0.7500 0.7481 0.7500 0.7424 0.7466 0.7014 0.7487 0.7103 0.7294 0.7279 0.7480 0.7289 0.7355 0.6727 0.7196 0.3032 0.2337 0.6629 0.7002 0.3949 0.7480 0.6283 0.1853 0.7430 0.5733 0.7000 0.7472 0.3258 0.3313 0.2114 0.7193 0.2833 0.7239 0.7040 0.6897 0.5976 0.5728 0.7490 0.6450 0.1481 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15.99491 15.99491 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 18144.9882 49028.1111 64306.5811 0.99995 0.00972 0.00013 -0.00972 0.99995 0.00033 -0.00012 -0.00033 1.00000 1 0.00477 0.00177 0.00135 0.09946 0.03681 0.02806 10.38 13.69 17.83 24.81 36.87 43.45 53.32 64.26 79.20 83.99 89.99 103.88 110.34 117.65 140.90 157.22 168.55 182.96 215.01 219.49 247.61 253.48 266.50 301.17 323.38 339.78 358.95 379.84 412.30 419.25 447.73 449.62 464.79 495.99 506.78 530.32 561.95 596.64 612.12 633.46 647.36 656.80 699.03 706.36 740.83 771.85 786.17 824.51 834.75 862.29 876.60 913.08 936.79 956.83 992.53 1007.51 1008.38 1012.54 1027.47 1095.50 1103.39 1127.50 1148.33 1178.28 1186.09 1197.62 1216.42 1234.06 1278.65 1288.49 1298.49 1314.23 1325.80 1333.70 1344.43 1371.54 1372.82 1386.94 1408.13 1476.85 1490.64 1507.08 1522.74 1531.13 1546.01 1555.26 1556.34 1564.36 1573.07 1584.66 1593.47 1605.88 1633.63 1677.66 1681.72 1691.37 1713.10 1731.78 1732.76 1743.78 1788.12 1801.81 1819.89 1823.65 1855.90 1859.56 1859.94 1884.02 1889.17 1893.34 1898.22 1907.43 1918.37 1919.42 1923.70 1992.68 2016.22 2035.57 2051.95 2056.95 2077.80 2083.18 2112.34 2126.85 2155.73 2168.93 2210.76 2248.05 2257.86 2261.78 2268.34 2303.54 2316.87 2335.59 2339.52 2347.55 2351.49 2352.70 2353.70 2365.61 2370.89 2375.28 2377.67 2379.69 2380.79 2387.79 2390.00 2436.90 2494.20 2523.85 2550.39 2582.11 2588.04 2608.41 2612.12 2620.36 2643.02 2704.41 2740.78 2809.29 4615.95 4620.53 4627.53 4629.42 4675.03 4707.12 4711.70 4720.78 4723.76 4726.16 4737.43 4802.76 4804.81 4808.84 4811.12 4813.26 4814.40 4855.07 4858.02 4864.89 4946.82 4948.42 4961.54 4990.21 4999.26 5213.41 5284.18 5335.79 5599.30 0.571195 0.603974 0.604918 0.497663 -1667.567514 -1667.534736 -1667.533792 -1667.641046 3.597317D-04 MUNgauss RevisionA2.0 retrievium 29-Feb-2020 DUDE Cc1ccc(cc1)CC[NH2+]CC(=O)Nc2ccc(cc2C(=O)Nc3cc(cc(c3)OC)OC)[N+](=O)[O-] C20155090 RHF 6-31G(d) (6D,10F) C1 493.208710 |X|Y|Z| 95.255361 160.676102 31.179696 78.145540 26 6 7 23 3 |36.858105| |12.613909|36.858105| |7.543751|13.701073|36.858105| |5.010220|7.886636|13.766063|36.858105| |4.410257|6.780568|7.908519|13.720174|36.858105| |5.010463|7.886952|6.908217|7.980612|13.719486|36.858105| |7.543999|13.700253|7.991968|6.907817|7.908264|13.766983|36.858105| |3.265462|4.405985|5.014270|7.548504|12.578794|7.547171|5.013898|36.858105| |2.926329|3.777189|4.209327|5.732409|7.626358|5.742228|4.213234|12.471197|36.858105| |2.384068|2.927016|3.210492|4.098437|4.967856|4.094488|3.208620|7.627780|12.649687|53.358707| |2.296721|2.801008|2.996527|3.749423|4.679518|4.043506|3.140206|7.173318|9.190653|25.681003|0.500000| |2.288327|2.787030|3.128963|4.022408|4.623681|3.706324|2.973309|6.996494|9.080734|25.563825|0.331505|0.500000| |2.132506|2.536958|2.736119|3.306325|3.785617|3.315278|2.741200|4.931882|7.512486|17.449159|0.257996|0.261503|36.858105| |1.854543|2.159807|2.335270|2.769512|3.061740|2.701318|2.294023|3.888977|5.013248|10.662789|0.192152|0.221088|12.430618|36.858105| |1.835800|2.141184|2.343710|2.807939|3.072505|2.659813|2.255624|3.979230|4.765666|10.050646|0.187885|0.253522|8.114741|15.849951|73.516695| |1.683947|1.925336|2.052430|2.366011|2.578978|2.343650|2.037818|3.111893|3.882861|7.144353|0.136208|0.142423|7.934739|14.282126|14.817679|53.358707| |1.504294|1.695366|1.802674|2.046236|2.193103|2.010517|1.778154|2.584733|3.055459|5.300050|0.104240|0.109956|5.043443|7.699668|11.395276|18.410813|36.858105| |1.443517|1.623635|1.734055|1.970847|2.100076|1.914682|1.695494|2.485096|2.827027|4.891372|0.098200|0.105917|4.237420|6.369990|11.574160|10.609766|13.715176|36.858105| |1.307952|1.454076|1.545085|1.731026|1.825817|1.682466|1.510314|2.112342|2.346789|3.883224|0.078571|0.083481|3.248121|4.360582|7.961106|7.004732|7.929904|13.784962|36.858105| |1.240028|1.367958|1.443870|1.599753|1.681384|1.566249|1.419135|1.912240|2.134662|3.442715|0.069348|0.072388|2.923067|3.716836|6.425674|6.230856|6.916569|8.000073|13.821694|36.858105| |1.276048|1.407731|1.480417|1.636411|1.724457|1.614080|1.463853|1.951953|2.222006|3.564957|0.071138|0.073422|3.139297|3.915506|6.370683|7.053646|7.928577|6.870790|7.921493|13.814267|36.858105| |1.401014|1.559723|1.644058|1.834103|1.948767|1.814640|1.630026|2.232437|2.614514|4.290254|0.084532|0.087182|3.999221|5.164043|7.800969|10.736585|13.508528|7.846419|6.812503|7.945163|13.746486|36.858105| |1.432305|1.588891|1.662115|1.838166|1.954023|1.840096|1.663549|2.201610|2.621595|4.163533|0.081196|0.082004|3.976215|4.591284|6.664819|9.095419|7.490454|4.991417|4.424292|5.036705|7.581416|12.620366|36.858105| |1.538263|1.717159|1.786093|1.981744|2.134455|2.022380|1.815639|2.412617|2.941958|4.672960|0.091056|0.089049|4.659697|5.022387|6.927898|9.868441|6.558837|4.452808|3.783449|4.025258|5.344374|8.044314|15.713136|73.516695| |1.338780|1.468642|1.532824|1.673411|1.755874|1.662837|1.524705|1.939753|2.269169|3.485491|0.067887|0.069226|3.184507|3.538662|5.394549|6.300958|5.190085|3.961993|3.786698|4.520917|6.668314|7.885088|14.192459|15.025428|53.358707| |1.317835|1.433974|1.485731|1.603022|1.674983|1.603244|1.485915|1.817670|2.117874|3.156210|0.061450|0.062045|2.830494|2.978536|4.584016|4.993351|3.827431|3.080612|2.953881|3.401434|4.494996|5.019592|7.653112|11.656901|18.276683|36.858105| |1.237817|1.335685|1.385906|1.483267|1.531949|1.465989|1.371807|1.644722|1.887684|2.773318|0.053920|0.055154|2.418799|2.542100|4.024126|4.105863|3.187270|2.693701|2.654954|3.067242|3.866298|4.014211|5.217461|8.012936|10.917937|13.735990|36.858105| |1.201314|1.285794|1.325726|1.404642|1.445675|1.395227|1.317819|1.531911|1.744623|2.515471|0.049038|0.049801|2.155884|2.209849|3.528080|3.464932|2.621055|2.264503|2.227752|2.513724|3.031636|3.141452|3.922414|6.476700|7.091543|7.957654|13.748801|36.858105| |1.233789|1.318078|1.348116|1.422334|1.471553|1.433680|1.357757|1.550082|1.769629|2.525946|0.049421|0.049422|2.162757|2.165401|3.431624|3.365170|2.477304|2.130999|2.065965|2.289651|2.735119|2.903473|3.676928|6.452203|6.184795|6.861530|7.895148|13.691874|36.858105| |1.313291|1.412834|1.440336|1.528166|1.598301|1.562192|1.468683|1.694232|1.957600|2.809927|0.055116|0.054300|2.447363|2.423098|3.768882|3.817069|2.754621|2.315300|2.204927|2.427761|2.945275|3.237865|4.315594|7.993016|6.991846|7.999252|6.893283|7.967199|13.713945|36.858105| |1.362347|1.480979|1.519459|1.632164|1.718918|1.665316|1.546066|1.852704|2.169077|3.188088|0.062430|0.061524|2.858605|2.886499|4.396639|4.737833|3.439081|2.781565|2.616769|2.914194|3.690577|4.222707|6.275168|11.672921|10.533377|13.783188|7.893044|6.839029|7.848537|13.695781|36.858105| |1.342691|1.439992|1.453171|1.532818|1.612363|1.595688|1.506332|1.695172|1.953322|2.765423|0.054611|0.052869|2.381187|2.299515|3.580668|3.546669|2.501376|2.124740|2.007737|2.169449|2.570388|2.838965|3.650646|7.108582|5.442229|5.336669|4.643398|5.224878|7.919513|14.199662|8.271591|73.516695| |1.280440|1.358704|1.363535|1.422792|1.486895|1.481625|1.414982|1.543335|1.752498|2.445099|0.048404|0.046968|2.056326|1.978346|3.133340|2.983950|2.114243|1.838801|1.753832|1.883481|2.179879|2.355762|2.888577|5.496340|4.286043|4.000963|3.799662|4.524599|6.752133|7.993881|5.270648|24.139080|36.858105| |1.130951|1.203156|1.242250|1.309309|1.337192|1.289501|1.225323|1.408695|1.585739|2.272243|0.044321|0.045358|1.913981|1.968485|3.196704|3.031468|2.311154|2.049094|2.044328|2.298906|2.691193|2.713912|3.201425|5.256350|5.544346|5.318940|8.267078|14.222035|7.905047|5.224688|4.621339|7.043355|3.719990|73.516695| |1.086670|1.147628|1.178808|1.232444|1.255294|1.218423|1.166543|1.309988|1.462959|2.071497|0.040532|0.041265|1.721312|1.747119|2.855923|2.644317|1.990208|1.786652|1.778809|1.969674|2.254467|2.278748|2.639133|4.457610|4.335642|3.990362|5.269931|7.995082|6.732714|4.518459|3.782350|6.607550|3.772870|24.124361|36.858105| |1.133918|1.240213|1.304228|1.431016|1.494207|1.401230|1.281598|1.676107|1.838495|2.895050|0.058615|0.060844|2.390092|2.902609|5.106952|4.615999|4.524331|5.128223|7.774588|13.079719|7.797466|5.118515|3.845220|5.656198|5.072715|2.977087|2.802442|2.345203|2.121563|2.201556|2.565226|3.508070|1.743147|3.905379|1.898403|53.358707| |1.104891|1.207197|1.271393|1.394807|1.453000|1.360399|1.245213|1.630038|1.763296|2.769678|0.056383|0.058767|2.235326|2.704354|4.896022|4.140116|3.907372|4.684578|7.091229|8.412302|5.441091|4.087674|3.174815|4.853259|4.148376|2.518798|2.393704|2.050720|1.874737|1.938671|2.219795|3.132108|1.574374|3.453971|1.705455|21.774960|73.516695| |1.088432|1.184178|1.239881|1.350808|1.407205|1.328298|1.222436|1.562399|1.715987|2.662409|0.053778|0.055385|2.204842|2.602876|4.497953|4.152390|3.910812|4.099439|5.430720|8.404915|7.120293|4.691250|3.795807|5.528656|5.305765|3.162443|3.042312|2.534768|2.261577|2.317347|2.683947|3.652689|1.818711|4.248337|2.049778|21.737281|15.985556|73.516695| |17.541442|8.866931|6.268333|4.452327|3.971308|4.454668|6.274485|3.029238|2.662039|3.017052|0.059940|0.059666|1.975105|1.742470|3.093530|2.155362|1.425500|1.378726|1.255068|1.187799|1.215611|1.326809|1.347729|2.559578|1.716616|1.238135|1.165758|1.130733|1.158147|1.229360|1.275607|2.230273|1.198222|1.898092|1.026627|1.484587|1.897049|1.859537|0.500000| |17.581238|8.840252|5.640575|4.196047|3.946857|4.699733|7.083806|3.017271|2.773702|3.102636|0.061397|0.060112|2.067890|1.793598|3.127731|2.236645|1.468428|1.401962|1.272913|1.213000|1.253400|1.376094|1.416307|2.714936|1.805590|1.313379|1.232503|1.201620|1.241412|1.324293|1.367014|2.423963|1.305680|2.008226|1.089095|1.511524|1.919063|1.901363|0.302125|0.500000| |17.581654|8.840272|7.087582|4.700716|3.946856|4.195346|5.638578|3.017300|2.772321|3.102869|0.060322|0.061276|2.065833|1.807607|3.180378|2.243866|1.478256|1.417584|1.287859|1.224083|1.260795|1.382020|1.415331|2.690982|1.810493|1.312930|1.239647|1.205671|1.235587|1.308410|1.352931|2.370505|1.274891|2.024883|1.096087|1.525935|1.940905|1.916273|0.302125|0.301598|0.500000| |6.992984|8.911951|17.712680|8.953029|5.642024|4.969989|5.665167|4.096287|3.585348|3.886328|0.073713|0.078700|2.490223|2.169895|3.890601|2.619906|1.709720|1.651570|1.482316|1.388871|1.420923|1.568110|1.583254|2.998916|2.003530|1.429976|1.344424|1.289209|1.305968|1.384798|1.454636|2.473863|1.311473|2.160166|1.155642|1.716090|2.188885|2.134470|0.168198|0.143123|0.212547|0.500000| |4.094354|5.631556|8.950595|17.686154|8.892247|5.654679|4.967803|6.982650|5.581410|5.712586|0.104057|0.119929|3.384538|2.895933|5.319480|3.334019|2.127112|2.064833|1.809600|1.661837|1.690997|1.893368|1.879722|3.568908|2.329956|1.628667|1.512186|1.424579|1.430970|1.530005|1.641032|2.703227|1.407619|2.367342|1.248574|2.019934|2.577706|2.480550|0.104069|0.096794|0.111812|0.217280|0.500000| |4.094590|5.631723|4.967936|5.654535|8.891506|17.685171|8.951384|6.980501|5.597463|5.702151|0.120168|0.102596|3.401711|2.761172|4.791537|3.274360|2.057035|1.953820|1.714160|1.596550|1.647719|1.855606|1.883401|3.706740|2.302614|1.629071|1.479918|1.407154|1.451826|1.592738|1.702809|2.908086|1.514563|2.302326|1.222863|1.941306|2.458862|2.403402|0.104138|0.111781|0.096774|0.107773|0.123965|0.500000| |6.993461|8.911642|5.665181|4.969766|5.641804|8.952956|17.712480|4.095887|3.589645|3.883109|0.078815|0.073153|2.497068|2.111602|3.669649|2.590768|1.672798|1.593240|1.428616|1.350182|1.395033|1.546527|1.585469|3.079160|1.986134|1.430269|1.321667|1.276298|1.321743|1.430699|1.497060|2.627599|1.396450|2.110569|1.135226|1.667217|2.114893|2.084856|0.168475|0.212313|0.143051|0.124262|0.107770|0.217294|0.500000| |3.026014|3.957892|4.214444|5.666337|8.880559|7.126868|4.721402|17.532967|8.858738|9.501257|0.214690|0.173491|4.620520|3.750697|6.843334|4.131783|2.542345|2.463196|2.101073|1.898242|1.929004|2.194738|2.152947|4.201562|2.572406|1.767766|1.594262|1.485501|1.507324|1.653231|1.809424|2.954569|1.513562|2.425624|1.270345|2.270541|2.892654|2.760831|0.079463|0.079092|0.076527|0.097163|0.143497|0.213141|0.112201|0.500000| |3.025502|3.957091|4.722539|7.132227|8.876580|5.660901|4.211942|17.538731|8.863477|9.544137|0.179388|0.209919|4.611942|3.892040|7.464334|4.185457|2.597936|2.553462|2.172031|1.943232|1.958394|2.221975|2.152809|4.121603|2.590246|1.769151|1.611856|1.495017|1.498871|1.624932|1.779794|2.863394|1.468132|2.457900|1.282857|2.321889|2.970693|2.809153|0.079418|0.076516|0.079110|0.112251|0.213566|0.143314|0.097101|0.302603|0.500000| |2.978427|3.814193|4.442102|6.059605|6.892281|5.088961|4.014760|8.775883|17.631486|12.406863|0.180750|0.219739|6.931376|4.807286|8.100677|5.173745|3.017364|2.774950|2.316129|2.120491|2.217493|2.609715|2.638082|5.215068|3.144074|2.166443|1.945820|1.799616|1.817107|1.995531|2.202750|3.514227|1.776613|2.916675|1.512096|2.489041|3.109984|3.044452|0.074380|0.077665|0.080311|0.107669|0.174333|0.129881|0.094251|0.173072|0.211183|0.500000| |2.973466|3.806305|4.001226|5.067116|6.874500|6.062591|4.439514|8.769157|17.629591|12.371013|0.218218|0.179286|6.986760|4.558872|7.337253|5.083484|2.935724|2.663857|2.233229|2.064622|2.177517|2.569236|2.641639|5.388123|3.115251|2.165588|1.916185|1.783898|1.833103|2.049978|2.261600|3.689454|1.859846|2.864155|1.492124|2.428338|3.023440|2.985793|0.074301|0.080229|0.077467|0.093930|0.129262|0.175028|0.107709|0.211305|0.173069|0.301083|0.500000| |2.200820|2.611351|2.851706|3.423914|3.778118|3.276109|2.764742|4.657036|7.229590|12.378173|0.181507|0.211649|17.609413|8.839886|11.484748|9.252992|4.609964|3.839065|3.027967|2.783854|3.028964|3.842649|3.967629|8.221696|4.437542|2.946991|2.536572|2.267320|2.271590|2.557734|2.968229|4.397929|2.137424|3.577789|1.807696|3.127541|3.803819|3.808970|0.056067|0.059168|0.059942|0.072774|0.098485|0.090779|0.069503|0.115334|0.121795|0.218632|0.187062|0.500000| |2.096368|2.474859|2.596958|3.064533|3.574426|3.285130|2.726983|4.478922|6.517476|12.312779|0.229475|0.182967|17.633608|8.679637|10.731237|9.805711|4.732933|3.888857|3.060971|2.824479|3.089360|3.941998|4.095145|9.034814|4.422978|2.932723|2.462987|2.210065|2.255331|2.604346|3.055522|4.583763|2.205700|3.451096|1.751698|3.166176|3.841660|3.858496|0.053859|0.057239|0.056030|0.065275|0.084646|0.096429|0.070232|0.121970|0.111756|0.159505|0.195376|0.300907|0.500000| |1.695705|1.931666|2.038142|2.325162|2.542986|2.348872|2.054045|3.006096|3.812547|6.652750|0.126910|0.125799|7.668530|9.439695|10.765546|25.791009|9.431714|5.805802|4.317418|4.123215|4.941113|7.664688|8.090206|18.994284|7.144266|4.208115|3.319929|2.795447|2.758612|3.219596|4.116561|5.326784|2.464206|4.256230|2.081617|4.287155|4.963082|5.197807|0.044065|0.046301|0.046116|0.052976|0.066026|0.067300|0.053627|0.081453|0.080618|0.104006|0.106035|0.193053|0.221462|0.500000| |1.507969|1.708459|1.836739|2.111690|2.258710|2.035014|1.785693|2.725419|3.060880|5.444170|0.110242|0.122374|4.496592|7.005185|15.007055|9.669736|8.919952|17.833735|8.970074|5.688459|4.959904|5.608179|4.073615|6.829606|4.513237|2.689052|2.380031|2.042769|1.942622|2.106141|2.483242|3.486610|1.714746|3.311837|1.644860|5.671935|7.178247|6.059306|0.040111|0.040469|0.041020|0.048460|0.061858|0.057615|0.046343|0.075268|0.079066|0.082635|0.078439|0.110303|0.110990|0.145014|0.500000| |1.264069|1.401503|1.490741|1.666741|1.750663|1.612463|1.451589|2.019172|2.197199|3.595355|0.073330|0.078199|2.899156|3.776662|7.207409|5.666546|5.641658|8.916161|17.782984|8.950427|5.650185|4.925684|3.542944|5.560766|4.270245|2.543450|2.333770|1.996049|1.857615|1.964007|2.283108|3.208771|1.597269|3.301576|1.634517|9.757156|14.150893|8.822977|0.033859|0.034093|0.034565|0.039844|0.048523|0.045557|0.038156|0.056008|0.058208|0.060105|0.057752|0.075126|0.075657|0.098641|0.215507|0.500000| |1.212453|1.328192|1.389616|1.522077|1.597867|1.507750|1.378711|1.784677|2.019583|3.168814|0.063307|0.064738|2.757710|3.280986|5.343699|5.692791|5.624060|4.958165|5.672108|9.028641|17.791799|8.872745|6.969405|8.761551|9.962798|4.981293|4.383029|3.364562|2.972116|3.153707|3.941606|4.800349|2.290231|5.303174|2.461939|9.915989|8.923394|14.459122|0.032093|0.033195|0.033334|0.037152|0.043511|0.042745|0.036673|0.049006|0.049509|0.056148|0.055475|0.074897|0.076456|0.115967|0.107769|0.125041|0.500000| |1.279577|1.399340|1.466027|1.598214|1.665014|1.570576|1.444646|1.836933|2.120960|3.255804|0.063465|0.065686|2.909120|3.298692|5.183138|5.735439|4.995000|4.016327|4.027745|5.052512|7.613763|7.624190|9.526802|10.906166|26.089152|9.355774|7.762720|4.970134|4.101330|4.318641|5.780615|6.081112|2.807110|7.326302|3.176195|5.772652|6.008963|8.102552|0.033603|0.035113|0.035395|0.039302|0.045667|0.044206|0.038362|0.049672|0.050544|0.060169|0.058763|0.082608|0.080795|0.125187|0.092294|0.092643|0.253961|0.500000| |1.200744|1.294997|1.350558|1.447311|1.486982|1.414753|1.324030|1.599909|1.823277|2.690937|0.052263|0.054152|2.326006|2.491541|4.004638|4.005802|3.198953|2.760092|2.779597|3.264019|4.077499|4.043060|4.876370|7.193248|9.986967|8.829410|17.731482|8.980001|5.644580|4.963957|5.611120|6.541810|3.141903|13.598873|4.892236|4.126371|4.571122|5.936233|0.031504|0.033081|0.033462|0.036532|0.041232|0.039537|0.035340|0.043016|0.043917|0.052348|0.050869|0.067640|0.064764|0.087551|0.067361|0.068038|0.130748|0.235578|0.500000| |1.195862|1.268891|1.292289|1.353393|1.395489|1.366958|1.304071|1.457003|1.649297|2.328275|0.045662|0.045570|1.963921|1.949098|3.118156|2.975570|2.178615|1.904445|1.851576|2.031760|2.374148|2.497523|3.054682|5.422997|4.928715|4.954508|5.632299|8.889543|17.826414|8.891827|5.611649|12.620549|7.536553|12.594324|7.505896|2.592585|3.027811|3.601504|0.031203|0.033523|0.033321|0.034861|0.037717|0.038405|0.035401|0.039380|0.039102|0.047045|0.047551|0.057264|0.056850|0.067072|0.048722|0.046741|0.071105|0.092966|0.124359|0.500000| |1.426477|1.560429|1.594945|1.722236|1.835445|1.785266|1.644549|1.992653|2.356189|3.490266|0.068795|0.066387|3.180510|3.165864|4.729455|5.252083|3.690322|2.929134|2.697722|2.952543|3.724192|4.433869|6.730000|14.546053|9.445364|8.846188|5.614666|4.945039|5.633516|8.964106|17.849545|13.601246|4.894723|6.526109|3.134054|3.478308|3.951599|4.671065|0.037049|0.039833|0.039136|0.042105|0.047843|0.051118|0.044281|0.054374|0.052724|0.065692|0.069046|0.090388|0.097262|0.131627|0.072926|0.065115|0.107058|0.142874|0.123129|0.124226|0.500000| |1.304069|1.380947|1.375345|1.430072|1.501634|1.509961|1.445853|1.551160|1.755471|2.431114|0.048389|0.046420|2.027650|1.927631|3.056802|2.876036|2.016731|1.762882|1.673631|1.779631|2.038669|2.211067|2.670936|5.170694|3.841209|3.429959|3.193596|3.626860|4.920308|5.884267|4.440558|17.000775|17.655895|5.465024|3.117218|2.240542|2.660872|3.031753|0.033877|0.037131|0.035949|0.036623|0.039052|0.043074|0.039869|0.042435|0.040749|0.049129|0.052197|0.058200|0.060975|0.065920|0.046008|0.042518|0.058897|0.070030|0.075273|0.146929|0.122342|0.500000| |1.194842|1.264365|1.269984|1.324337|1.381435|1.375039|1.314425|1.436158|1.616398|2.267453|0.045092|0.043844|1.893475|1.847831|2.951971|2.792083|2.012081|1.767518|1.707323|1.849166|2.132653|2.258956|2.727706|5.061259|4.112248|3.820304|3.758648|4.596651|6.759036|7.042910|4.789634|16.430284|17.574366|6.896862|4.051610|2.359153|2.781946|3.246665|0.031201|0.033788|0.033044|0.034013|0.036481|0.039051|0.036062|0.039249|0.038144|0.045402|0.047325|0.054268|0.056066|0.063336|0.045656|0.043347|0.063038|0.076126|0.087155|0.225094|0.120913|0.300092|0.500000| |1.295892|1.370003|1.377794|1.431380|1.484275|1.475471|1.416929|1.530324|1.737153|2.401984|0.047205|0.046293|2.011756|1.926326|3.063168|2.879416|2.033211|1.775650|1.691471|1.807506|2.078953|2.247691|2.731986|5.158889|4.071060|3.785722|3.730543|4.570656|6.736750|6.983826|4.739724|16.425181|17.569857|6.876550|4.047334|2.279333|2.699158|3.097588|0.033610|0.036695|0.036024|0.036969|0.039404|0.041614|0.038772|0.041415|0.040512|0.049371|0.051051|0.058792|0.059321|0.065636|0.046187|0.042917|0.060370|0.074953|0.086591|0.227283|0.119669|0.300109|0.298594|0.500000| |1.125551|1.186141|1.216988|1.267784|1.287928|1.252126|1.203140|1.336317|1.495712|2.099107|0.040918|0.041684|1.742348|1.746171|2.847457|2.621839|1.943283|1.738942|1.712033|1.871634|2.134572|2.195282|2.556423|4.402015|4.113726|3.786034|4.755373|6.999812|6.724537|4.569834|3.720683|6.874583|4.040827|16.426461|17.572506|2.431526|2.869367|3.385087|0.029453|0.031389|0.031612|0.033176|0.035617|0.034825|0.032535|0.035874|0.036249|0.043131|0.042512|0.051219|0.049288|0.057564|0.044767|0.043735|0.063716|0.082266|0.120004|0.225814|0.086500|0.092149|0.116971|0.127144|0.500000| |1.057117|1.115098|1.140066|1.190666|1.218072|1.188319|1.138012|1.270997|1.415027|2.004828|0.039469|0.039809|1.661230|1.683760|2.752071|2.549604|1.919598|1.726724|1.723502|1.911713|2.184999|2.198694|2.544656|4.330309|4.138482|3.803075|4.778853|7.030077|6.733095|4.581807|3.735170|6.883173|4.055745|16.429500|17.575376|2.520627|2.960286|3.569227|0.027782|0.029506|0.029532|0.030970|0.033383|0.033263|0.030875|0.034407|0.034485|0.040363|0.040252|0.048068|0.047309|0.055872|0.044178|0.044069|0.066609|0.083411|0.120550|0.224551|0.086815|0.092460|0.127779|0.117483|0.298493|0.500000| 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