Version2.2 2021-02-11T09:30:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(CCC1CCOCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2Cc3cccc4c3cccc4 C11843512 RHF 6-31G(d) (6D,7F) CN(CCC1CCOCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2Cc3cccc4c3cccc4 C01[X(C25H34N3O3)] 189 C1 533 O=C1NCC[NH+]([C@@H]1CC(=O)N(CCC1CCOCC1)C)Cc1cccc2c1cccc2 O=C1NCC[NH+]([C@@H]1CC(=O)N(CCC1CCOCC1)C)Cc1cccc2c1cccc2 CN(CCC1CCOCC1)C(=O)C[C@H]2[NH+](CCNC2=O)Cc3cccc4ccccc34 InChIKey=APQBSTVVKVGYQZ-HSZRJFAPSA-O InChI=1S/C25H33N3O3/c1-27(13-9-19-10-15-31-16-11-19)24(29)17-23-25(30)26-12-14-28(23)18-21-7-4-6-20-5-2-3-8-22(20)21/h2-8,19,23H,9-18H2,1H3,(H,26,30)/p+1/t23-/m1/s1 InChI=1/C25H33N3O3/c1-27(13-9-19-10-15-31-16-11-19)24(29)17-23-25(30)26-12-14-28(23)18-21-7-4-6-20-5-2-3-8-22(20)21/h2-8,19,23H,9-18H2,1H3,(H,26,30)/p+1/t23-/m1/s1/fC25H34N3O3/h26,28H/q+1 CN(CCC1CCOCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2Cc3cccc4c3cccc4 C01[X(C25H34N3O3)] 189 C01 533 O=C1NCC[NH+]([C@@H]1CC(=O)N(CCC1CCOCC1)C)Cc1cccc2c1cccc2 O=C1NCC[NH]([C@@H]1C[C]([N](CCC1CCOCC1)C)[O])C[C]1[CH][CH]=[CH][C]2[C]1[CH]=[CH][CH]=[CH]2 CN(CCC1CCOCC1)[C]([O])C[C@H]2[NH](CCNC2=O)C[C]3[CH]C=C[C]4C=CC=C[C]34 InChIKey=OBNYXPFOTGWHAC-HSZRJFAPSA-N InChI=1S/C25H34N3O3/c1-27(13-9-19-10-15-31-16-11-19)24(29)17-23-25(30)26-12-14-28(23)18-21-7-4-6-20-5-2-3-8-22(20)21/h2-8,19,23,28H,9-18H2,1H3,(H,26,30)/t23-/m1/s1 InChI=1/C25H34N3O3/c1-27(13-9-19-10-15-31-16-11-19)24(29)17-23-25(30)26-12-14-28(23)18-21-7-4-6-20-5-2-3-8-22(20)21/h2-8,19,23,28H,9-18H2,1H3,(H,26,30)/t23-/m1/s1/f/h26H 3095.6785950411 -1354.2886199 1-A 19372.2197 114 419 533 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.65848 -20.65644 -20.61304 -15.82534 -15.72054 -15.71134 -11.49093 -11.48047 -11.44789 -11.43082 -11.43009 -11.41416 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1043.9836 1058.5412 1064.6113 1077.0779 1083.3376 1087.2817 1092.2592 1093.8724 1095.7701 1109.1438 1118.4286 1127.2436 1134.3013 1137.5653 1138.2868 1165.6801 1172.1323 1189.1354 1190.8994 1212.0029 1214.0590 1228.1358 1230.6835 1246.1348 1249.7343 1284.0921 1289.7391 1296.6858 1301.3688 1310.6133 1314.7955 1327.9451 1345.6420 1360.2321 1371.6325 1384.1975 1385.7382 1396.4738 1397.3210 1416.7956 1418.4687 1430.9551 1431.1679 1449.7478 1459.4592 1462.6614 1471.7713 1476.2522 1477.2751 1494.9702 1506.7155 1517.6184 1527.9907 1531.0831 1537.8714 1546.5919 1552.6166 1553.6093 1568.3732 1570.6784 1579.7843 1585.5770 1610.4517 1611.5526 1618.6788 1621.7489 1629.2762 1633.6830 1638.1778 1640.1894 1645.6976 1649.6679 1652.1361 1652.8919 1655.2143 1658.7503 1661.8699 1669.7108 1682.7728 1687.5502 1690.1624 1780.4218 1804.6072 1835.9722 1841.3719 1981.0836 3157.7486 3163.8410 3175.2598 3195.7134 3196.7742 3204.5831 3229.3558 3232.5183 3232.9500 3237.1344 3243.8911 3255.2447 3258.7550 3269.2380 3278.8794 3286.5674 3292.6171 3301.8377 3301.9904 3316.4063 3341.2012 3349.2603 3352.9375 3358.3706 3366.6671 3367.0218 3372.2526 3376.8033 3380.2608 3393.1746 3400.2063 3402.3572 3521.1797 3835.3829 5.2684 5.4624 3.3789 5.0331 4.1110 4.6111 5.4447 4.4331 4.8222 4.1787 3.9489 4.2668 2.7874 1.6219 3.4106 3.8730 2.9808 3.2722 2.9676 3.1261 1.7918 3.6253 3.6792 3.3671 2.5408 2.6483 2.6364 2.5059 2.6872 4.1822 4.2981 3.0137 2.6823 2.7695 3.3682 3.0393 2.8487 3.3263 3.5992 5.4134 5.8337 3.4366 2.8609 3.8943 2.8552 1.9515 3.7778 2.2504 3.9439 2.8897 3.1699 3.0963 4.0027 1.4022 1.4281 4.1594 5.3540 2.4184 2.0791 1.8730 1.8799 1.5753 3.6061 2.8093 2.6088 1.6189 2.7978 2.5175 2.6584 2.1410 2.0089 1.6943 1.9295 3.8150 1.4564 1.8845 1.8503 1.6750 2.1767 2.6182 1.3548 2.6573 1.5989 1.8048 2.4574 3.0669 2.2712 2.5321 2.0209 2.1503 1.9499 1.9493 1.6872 1.3301 1.6675 2.2050 1.1963 2.6674 1.3145 1.3650 1.7440 1.1690 1.2135 1.7407 1.5190 1.8085 1.6624 1.3903 1.3114 1.2344 1.3777 1.7154 1.2998 1.3586 1.3007 4.6562 1.2975 2.0622 1.2392 1.6487 1.4552 1.3769 1.3484 1.5172 1.4950 1.5788 1.5679 1.5154 1.5420 1.3995 1.3440 1.4847 1.6020 1.1149 1.0995 2.1974 1.1044 1.1343 1.1283 1.3462 1.1071 1.1238 1.0815 1.0881 1.5719 1.2460 1.1079 1.3324 1.8703 2.1368 6.4808 4.6610 5.5788 6.6679 8.8503 1.0835 1.0732 1.0747 1.0611 1.0611 1.0622 1.0693 1.0876 1.0510 1.1026 1.0971 1.0809 1.0743 1.0841 1.0686 1.0935 1.0946 1.1067 1.0988 1.0617 1.1018 1.0918 1.0933 1.0959 1.0975 1.1046 1.0926 1.0929 1.0926 1.0951 1.0981 1.0984 1.0804 1.0780 0.0005 0.0006 0.0007 0.0018 0.0030 0.0057 0.0078 0.0118 0.0179 0.0177 0.0340 0.0412 0.0326 0.0211 0.0487 0.0733 0.0652 0.0743 0.0741 0.1129 0.0672 0.1616 0.1890 0.1835 0.1837 0.2117 0.2327 0.2440 0.2714 0.4660 0.5075 0.3796 0.3495 0.3782 0.4950 0.4474 0.4463 0.5296 0.5881 0.9081 1.0567 0.6515 0.5827 0.8439 0.6701 0.4807 0.9810 0.5961 1.1489 0.9148 1.0251 1.0874 1.5015 0.5565 0.5766 1.7619 2.3052 1.0779 0.9595 0.8842 0.8905 0.7691 1.8881 1.4878 1.4267 0.9012 1.5901 1.4617 1.6699 1.3748 1.3262 1.1314 1.3188 2.6380 1.0144 1.3246 1.3044 1.1850 1.5777 1.9296 1.0143 2.0144 1.2190 1.3778 1.9674 2.4826 1.8922 2.1158 1.7490 1.8674 1.7328 1.7395 1.5436 1.2240 1.6200 2.1611 1.1851 2.6616 1.3303 1.3903 1.8120 1.2472 1.3229 1.9295 1.7147 2.0461 1.9101 1.5994 1.5510 1.4634 1.6621 2.0702 1.6096 1.7050 1.6395 5.9424 1.6660 2.6515 1.6318 2.2053 1.9746 1.8941 1.8624 2.1142 2.1070 2.2424 2.2297 2.1962 2.2413 2.0579 1.9908 2.2688 2.4513 1.7212 1.7037 3.4368 1.7366 1.7935 1.7885 2.1482 1.7751 1.8073 1.7409 1.7565 2.5482 2.0275 1.8198 2.2229 3.1381 3.5965 12.1039 8.9432 11.0797 13.3207 20.4651 6.3657 6.3296 6.3838 6.3847 6.3891 6.4268 6.5702 6.6959 6.4724 6.8075 6.8021 6.7485 6.7220 6.8266 6.7688 6.9588 6.9920 7.1090 7.0589 6.8800 7.2471 7.2158 7.2417 7.2828 7.3295 7.3782 7.3208 7.3423 7.3553 7.4289 7.4797 7.4918 7.8923 9.3429 0.8148 0.5228 0.6020 0.0231 0.4913 2.8801 4.5817 2.6520 3.6903 3.0438 1.0067 3.5466 4.1633 1.9679 3.9311 4.4123 2.8369 3.7657 2.8702 3.0636 0.4453 3.2588 5.9042 1.6249 2.0849 2.6184 6.0390 6.8632 8.2722 21.3798 19.0213 0.5385 7.9902 1.2687 21.5572 1.1126 0.1407 3.9535 17.5504 6.1387 1.8582 14.4810 10.4488 2.4896 54.4116 70.2007 2.7010 15.6025 0.5478 13.9137 5.5811 34.2270 37.1274 4.1128 2.8802 30.4828 1.1675 34.6839 5.8592 21.1775 31.0645 24.0889 4.3172 7.1461 8.7969 6.0699 18.4418 9.1481 3.7897 13.6955 5.6732 12.3693 8.7996 0.0924 5.0123 2.0181 3.1161 2.9978 33.6648 64.5843 1.0244 5.1828 0.8080 2.2416 24.3430 16.2166 8.6143 13.4363 25.4653 5.4510 3.3555 34.1047 3.8015 28.5084 4.7051 38.5354 1.2702 35.3429 9.5019 2.4651 110.6400 21.6509 7.7894 6.2436 2.1908 62.0620 12.7770 55.9464 5.3235 4.8654 25.6202 33.9120 56.5479 37.5153 39.3219 14.1964 10.5860 15.9058 2.5055 64.4097 19.5650 6.9072 4.8543 23.9549 84.4619 10.8092 1.5124 92.8225 8.4378 37.9255 281.5501 17.0960 10.3435 54.2680 0.2212 0.4976 1.5507 36.8546 23.6517 27.3378 10.4859 32.4252 10.0597 0.1972 93.8940 2.8327 1.9351 34.8085 97.1414 48.5912 15.5579 7.4186 23.5406 469.1056 506.1229 4.3593 16.1714 115.0381 2.3443 35.7452 42.4165 17.1715 3.9520 22.8435 48.8501 42.8768 89.2305 10.1860 1.8076 6.0152 54.6473 48.0960 23.2516 11.3822 6.7595 16.5811 8.4322 0.2973 7.7018 11.2542 2.5001 1.2982 0.9035 2.1911 31.3257 16.4715 10.0759 315.1159 92.6454 1.8026 2.7762 1.1401 1.4550 0.9536 3.7601 1.8075 6.4251 0.6229 0.2257 0.6956 0.4908 0.9350 0.4977 1.9838 1.1592 0.6316 0.5048 0.3316 0.7781 0.0647 1.8214 1.9424 1.5643 0.1119 0.2875 0.8400 2.0887 0.5639 4.5168 0.8987 1.2702 0.5353 1.0877 2.1859 1.3669 2.5637 0.4741 2.2004 4.0944 9.2239 3.3377 3.4738 2.3273 0.7827 1.5209 0.6879 0.9149 6.1093 1.6524 2.4592 5.8852 8.6952 2.1109 3.5044 16.5803 2.6920 3.7074 12.6337 0.9341 6.2615 2.5450 3.5953 6.8770 1.4151 0.9609 3.7116 0.6547 1.5360 7.2333 3.0864 2.1000 2.3896 5.1533 2.3756 0.5814 3.5503 6.2509 13.1004 6.1603 0.4181 3.6169 2.4518 1.2371 4.9550 15.1781 10.5646 7.4778 1.5597 2.8185 3.0391 8.7293 4.6011 2.5314 8.4676 8.4572 5.6231 3.0674 4.5600 1.8234 4.3575 1.1830 7.1040 3.1020 5.9863 9.3955 4.7131 2.7359 17.4922 15.4078 9.3768 2.0832 7.2018 3.2769 13.9970 167.3334 3.1562 132.7058 1.5956 3.2095 7.9646 2.4484 2.2191 2.2251 3.0049 2.2658 6.0494 6.2276 2.3712 1.5052 15.9364 19.2247 29.6219 13.3120 11.5426 6.7965 11.7133 9.2814 10.7127 6.5003 17.3504 10.3910 14.9258 13.1060 0.9576 3.2943 6.1650 2.0917 2.5613 6.6516 119.2877 2.4432 1.8696 11.2527 8.3335 28.9412 11.3815 165.9606 2.4733 22.3355 137.2365 72.1540 64.7458 41.1561 37.0349 77.0465 55.2766 40.1990 52.2871 52.9618 98.4413 150.9934 51.1886 98.3776 73.0054 73.8868 83.0011 43.9910 21.5726 85.0312 36.9596 17.2875 17.0720 139.2737 63.7233 98.0184 370.0649 46.4326 89.8496 0.7435 0.7489 0.7500 0.7473 0.7500 0.7268 0.7460 0.7312 0.7304 0.5381 0.7451 0.7498 0.3626 0.7342 0.7485 0.0995 0.3049 0.2141 0.6499 0.5511 0.7013 0.7177 0.4575 0.3260 0.3352 0.4653 0.5610 0.2307 0.3967 0.5614 0.5126 0.3233 0.1233 0.2412 0.6304 0.6878 0.7481 0.7473 0.7487 0.5013 0.3301 0.7371 0.2768 0.5004 0.4139 0.7416 0.5131 0.2591 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0.8401 0.7428 0.8153 0.7239 0.1291 0.6630 0.8495 0.7833 0.4699 0.5608 0.6959 0.7662 0.4030 0.7517 0.7070 0.1264 0.1796 0.0878 0.2452 0.8545 0.8569 0.0566 0.4419 0.2631 0.3905 0.7078 0.3858 0.8456 0.4686 0.0714 0.6759 0.5653 0.5589 0.6587 0.6987 0.6164 0.4178 0.5383 0.8510 0.8568 0.4009 0.2108 0.4182 0.4303 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 6 7 6 6 6 6 6 8 6 6 6 8 6 6 1 6 8 7 6 6 7 1 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 7455.5705 29391.1006 32543.7473 0.99998 0.00419 0.00428 -0.00412 0.99987 -0.01537 -0.00435 0.01535 0.99987 1 0.01162 0.00295 0.00266 0.24207 0.06140 0.05546 18.02 19.34 27.58 35.37 51.04 66.10 70.78 96.62 114.15 121.98 173.81 184.10 202.77 213.59 223.94 257.80 277.25 282.51 296.29 356.15 363.06 395.75 424.82 437.52 504.06 530.02 556.89 584.86 595.66 625.71 644.07 665.24 676.64 692.70 718.59 719.20 741.95 747.93 757.66 767.69 797.77 816.15 845.93 872.57 908.05 930.27 955.20 964.71 1011.68 1054.62 1065.96 1110.82 1148.03 1180.83 1191.06 1219.96 1229.93 1251.41 1273.36 1287.89 1290.08 1309.76 1356.32 1364.08 1386.15 1398.48 1413.13 1428.30 1485.61 1502.06 1523.00 1531.74 1549.67 1558.68 1564.36 1571.52 1573.84 1576.57 1595.81 1609.17 1621.85 1632.01 1636.70 1637.74 1677.15 1686.44 1710.90 1713.44 1743.80 1746.76 1767.01 1770.68 1792.91 1798.09 1847.52 1855.65 1865.64 1872.38 1885.68 1891.70 1910.62 1936.08 1957.07 1973.47 1991.55 1993.77 2009.21 2010.43 2038.45 2040.86 2058.83 2059.13 2085.86 2099.84 2104.44 2117.55 2124.00 2125.47 2150.93 2167.83 2183.51 2198.44 2202.89 2212.65 2225.20 2233.87 2235.30 2256.54 2259.86 2272.96 2281.29 2317.08 2318.66 2328.92 2333.33 2344.17 2350.51 2356.97 2359.87 2367.79 2373.50 2377.06 2378.14 2381.48 2386.57 2391.06 2402.34 2421.13 2428.01 2431.77 2561.63 2596.43 2641.55 2649.32 2850.34 4543.30 4552.06 4568.49 4597.92 4599.45 4610.68 4646.32 4650.87 4651.49 4657.51 4667.24 4683.57 4688.62 4703.70 4717.58 4728.64 4737.34 4750.61 4750.83 4771.57 4807.24 4818.84 4824.13 4831.95 4843.88 4844.39 4851.92 4858.47 4863.44 4882.02 4892.14 4895.23 5066.19 5518.26 0.612840 0.639607 0.640551 0.550824 -1353.675780 -1353.649013 -1353.648069 -1353.737796 3.009458D-04 MUNgauss RevisionA2.1 retrievium 11-Feb-2021 DUDE CN(CCC1CCOCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2Cc3cccc4c3cccc4 C11843512 RHF 6-31G(d) (6D,10F) C1 424.260017 |X|Y|Z| 122.329700 55.156931 36.950292 62.938535 28 6 7 8 24 3 1 |36.858105| |13.042429|53.358707| |7.592317|17.637563|36.858105| |5.916977|10.413655|12.459496|36.858105| |4.165736|6.704418|7.416627|12.417047|36.858105| |3.448752|5.179190|4.874006|7.547574|12.404658|36.858105| |2.759140|4.090087|3.741439|4.910404|7.546212|12.496754|36.858105| |2.559507|3.910548|3.591648|4.450921|6.608531|7.897485|13.612705|73.516695| |2.756302|4.336938|4.172069|4.879811|7.552896|6.675767|8.159241|24.239018|36.858105| |3.442885|5.753728|6.070239|7.423673|12.396827|7.619933|6.659277|14.016605|12.483457|36.858105| |7.785670|19.551434|7.901760|5.785984|4.078241|3.308004|2.687053|4.698261|2.911206|3.794830|36.858105| |5.316938|11.547053|6.989760|5.460304|4.093619|3.307859|2.733814|4.939094|3.105721|4.111353|15.556567|73.516695| |6.672185|10.559037|4.990995|4.128755|3.134712|2.702719|2.254151|3.916050|2.367433|2.920787|12.486797|14.338969|36.858105| |4.425028|6.945882|3.877634|3.456964|2.749952|2.448246|2.079169|3.667953|2.190721|2.651214|7.524307|12.399894|12.412160|36.858105| |3.902461|5.686201|3.258612|2.948158|2.406176|2.179872|1.876371|3.295810|1.952575|2.311385|5.506860|8.947467|8.871082|17.578167|0.500000| |4.099572|6.361463|3.756120|3.642354|2.879948|2.647768|2.217187|3.888068|2.270372|2.746339|6.275739|10.893454|7.638248|12.356470|0.250180|36.858105| |4.478303|6.496101|3.794106|3.828045|2.972468|2.788931|2.297043|3.939340|2.265971|2.729798|5.817297|9.242286|6.954435|8.115864|0.193818|15.940642|73.516695| |3.279785|5.146374|3.284735|3.273566|2.704913|2.531472|2.160541|3.858502|2.237675|2.667382|4.835178|9.379981|5.200812|7.673578|0.176164|14.186329|15.126253|53.358707| |2.906170|4.658795|3.077234|2.983843|2.548562|2.352674|2.055694|3.756486|2.211506|2.614705|4.388002|9.237540|4.523100|6.496902|0.151787|7.707775|9.494682|17.951069|36.858105| |2.921132|4.630516|2.971225|2.747747|2.348998|2.131612|1.878380|3.421424|2.042474|2.402066|4.452672|9.111008|4.957959|7.694122|0.189223|6.714560|8.412858|10.736449|12.596199|36.858105| |3.640671|5.962532|3.606801|3.163102|2.617871|2.307792|2.003381|3.617920|2.192726|2.637999|6.285996|12.688071|7.499702|12.654640|0.253194|7.482475|9.350621|9.208100|7.761650|12.766477|53.358707| |3.881842|6.808814|4.204534|3.599562|2.953762|2.544739|2.195752|4.003199|2.462719|3.030162|7.568033|18.442366|7.371990|9.478153|0.183637|6.798089|8.886588|8.600227|7.382588|9.262811|25.465427|0.500000| |3.329478|5.219827|3.200341|2.737813|2.326520|2.044960|1.807355|3.264826|1.993061|2.351176|5.049801|9.477699|6.107169|7.571516|0.199636|4.897253|6.978186|6.062488|4.996812|7.636971|17.139899|0.256873|36.858105| |2.811920|4.445676|2.906339|2.501147|2.198859|1.930865|1.739569|3.194730|1.968698|2.290147|4.066056|8.109871|4.326090|4.948193|0.128843|3.768955|5.543844|5.022927|4.413261|6.301087|10.336180|0.199176|12.602675|36.858105| |2.890994|4.710683|3.194809|2.681839|2.387776|2.054670|1.860916|3.456344|2.172617|2.543831|4.216147|8.754676|4.089160|4.292737|0.107123|3.421773|5.159221|4.554248|3.937853|4.966610|8.241344|0.187290|7.741502|13.947154|36.858105| |2.441269|3.898585|2.762554|2.376220|2.189322|1.902247|1.759325|3.309432|2.086713|2.381347|3.312237|6.799431|3.155907|3.287277|0.083951|2.789596|4.309611|3.813920|3.300579|3.916980|5.847328|0.130457|5.035044|7.860716|13.509316|36.858105| |2.122463|3.301268|2.329888|2.059516|1.912675|1.696950|1.582251|2.970271|1.843787|2.064779|2.776863|5.569221|2.734183|2.929765|0.077078|2.533900|3.928796|3.528501|3.080185|3.681436|5.128075|0.108452|4.426766|6.818433|7.969401|14.035513|36.858105| |2.079742|3.186265|2.196262|1.962617|1.800957|1.616865|1.498222|2.784928|1.704532|1.910211|2.714992|5.351750|2.787590|3.102189|0.083893|2.655542|4.076021|3.721051|3.281773|4.129001|5.507652|0.109856|4.946233|7.804309|6.848056|7.884401|13.429963|36.858105| |2.334774|3.581085|2.392593|2.122663|1.905136|1.706372|1.558630|2.869096|1.749080|1.989296|3.145048|6.150800|3.363942|3.897241|0.106867|3.180558|4.769359|4.396293|3.902821|5.410869|7.340631|0.137437|7.377874|13.293315|7.857852|6.750172|7.771932|13.472279|36.858105| |2.174259|3.248800|2.149654|1.943733|1.742230|1.585167|1.447853|2.643679|1.589866|1.793719|2.824388|5.359494|3.138337|3.746568|0.108719|3.114040|4.701815|4.328845|3.760269|5.239132|6.594379|0.116529|6.252973|7.546281|5.077656|4.488255|5.100422|7.839652|13.378920|36.858105| |1.882357|2.778870|1.871160|1.716210|1.561578|1.435951|1.325423|2.424945|1.450145|1.612363|2.355486|4.448001|2.569091|2.988836|0.086719|2.605623|4.029434|3.674679|3.147070|4.029008|4.959259|0.090913|4.323989|5.070814|3.929528|3.776485|4.528915|6.833225|7.857633|14.014491|36.858105| |1.741008|2.582131|1.772998|1.628637|1.503057|1.381765|1.288056|2.374229|1.424897|1.569852|2.157797|4.116390|2.282998|2.581326|0.073003|2.292576|3.584796|3.252214|2.792876|3.406102|4.259730|0.081389|3.624535|4.481555|3.779987|3.941842|5.137216|7.880681|6.757841|7.902228|13.476589|36.858105| |1.811646|2.724594|1.890955|1.720651|1.595659|1.453218|1.358125|2.521500|1.528016|1.686379|2.277654|4.414258|2.354196|2.618212|0.072227|2.310669|3.603059|3.270178|2.839478|3.439177|4.417976|0.087010|3.786522|5.086010|4.533578|5.136209|7.728574|13.413703|7.776102|6.852260|7.953631|14.040615|36.858105| |17.608995|12.284146|5.740034|4.491740|3.418154|2.891473|2.397268|4.010849|2.432884|2.959422|6.948422|8.613149|7.085793|4.528898|0.115023|3.931132|7.454577|4.260871|2.812925|2.929252|5.056744|0.106983|3.555153|2.945287|2.987045|2.496345|2.176244|2.149449|2.436464|2.279157|1.962237|1.802787|1.869115|0.500000| |17.584140|12.240699|6.099750|5.645827|3.974543|3.479144|2.745787|4.463138|2.629789|3.237274|6.673498|8.520128|6.309737|4.442252|0.110494|4.397750|9.185560|4.695828|2.943068|2.891883|4.770873|0.101503|3.121923|2.618049|2.633659|2.241601|1.981444|1.965520|2.212150|2.096366|1.825788|1.679749|1.730351|0.299543|0.500000| |17.658974|12.530373|7.554917|6.024058|4.462854|3.647120|2.929036|4.744750|2.885509|3.558576|5.776352|7.850516|4.885813|3.556557|0.088882|3.364868|6.473620|3.827379|2.541690|2.538769|4.180280|0.091388|2.868747|2.508641|2.620916|2.269259|1.978620|1.919037|2.115850|1.966744|1.724791|1.613291|1.684631|0.303612|0.301908|0.500000| |5.660350|12.550036|17.698967|8.800627|6.654983|4.437536|3.588858|6.470684|4.415569|6.653013|7.627815|14.472124|4.759887|3.886524|0.089700|3.697450|6.343399|4.547574|3.261001|3.161725|5.230982|0.129649|3.410933|3.194542|3.644637|3.156937|2.599807|2.403176|2.594727|2.281752|1.978271|1.889732|2.042825|0.131925|0.131333|0.151723|0.500000| |7.246966|12.539508|17.580845|8.802555|6.807451|4.553554|3.648960|6.132110|4.047108|5.488689|5.941421|9.291012|4.256637|3.325913|0.080296|3.165206|5.728803|3.799611|2.642187|2.600855|4.248200|0.098394|2.890232|2.661758|2.939011|2.590179|2.195636|2.059608|2.219767|2.000097|1.756114|1.673858|1.786085|0.158764|0.155197|0.237663|0.303039|0.500000| |6.572050|9.651200|8.880318|17.516070|8.878834|7.117851|4.613263|7.008953|4.089213|5.464728|5.216312|8.191793|4.020219|3.321886|0.080397|3.538106|6.916972|4.238507|2.767250|2.565083|3.999784|0.090069|2.569217|2.313484|2.431989|2.154785|1.892993|1.825680|1.983783|1.843598|1.634549|1.543001|1.614829|0.133000|0.188354|0.193775|0.173709|0.209901|0.500000| |5.231358|9.463024|8.896602|17.528811|8.829677|6.822902|4.570177|7.669491|4.570137|6.816244|6.107637|10.928807|4.348847|3.808888|0.088417|4.231330|7.863696|5.259095|3.457676|3.062560|4.725687|0.110814|2.888378|2.623573|2.780251|2.447788|2.131486|2.046354|2.227152|2.045214|1.800219|1.701041|1.792283|0.114499|0.146196|0.136899|0.213738|0.173670|0.303424|0.500000| |4.133588|6.315770|6.899228|8.894628|17.459472|8.914203|6.839093|10.308714|6.836828|8.897414|3.730558|6.474229|2.935713|2.536729|0.062529|2.591811|4.763280|3.283527|2.286734|2.155216|3.290486|0.074972|2.202610|2.089563|2.277625|2.101762|1.837108|1.724305|1.815996|1.661276|1.493933|1.442001|1.531831|0.095318|0.106814|0.130115|0.167531|0.207653|0.212497|0.173919|0.500000| |3.570172|5.074850|4.559352|6.833902|8.778732|17.523832|8.860633|10.139017|4.980293|5.518781|3.179256|5.462469|2.662213|2.385124|0.059638|2.580448|4.940160|3.304464|2.221760|2.030623|3.002988|0.066619|1.968082|1.838510|1.935785|1.783911|1.600201|1.536489|1.629485|1.526377|1.384377|1.326333|1.386412|0.082605|0.102455|0.107031|0.110507|0.122081|0.212153|0.165920|0.216439|0.500000| |3.318770|5.061463|4.545788|7.004627|8.832146|17.518007|8.916068|12.560480|5.801958|6.794921|3.364880|6.096508|2.766933|2.566462|0.063150|2.859034|5.363942|3.783885|2.559023|2.262936|3.285808|0.073920|2.099542|1.976249|2.084700|1.924194|1.724974|1.653670|1.751335|1.633364|1.479161|1.419303|1.488084|0.077745|0.095037|0.093923|0.117772|0.112473|0.180628|0.207942|0.174274|0.302062|0.500000| |2.709153|3.935670|3.602577|4.489210|6.751025|8.822484|17.471778|16.555636|7.294477|5.820447|2.546498|4.542305|2.152048|1.963131|0.049550|2.058436|3.792321|2.704276|1.896858|1.761235|2.575243|0.057359|1.732112|1.670420|1.792291|1.700387|1.528749|1.443951|1.498108|1.391095|1.275680|1.242097|1.310649|0.065833|0.074016|0.081703|0.095113|0.101953|0.120111|0.111080|0.200241|0.214865|0.173910|0.500000| |2.487399|3.621055|3.174343|4.076107|5.492704|8.811488|17.617114|16.942011|5.882031|4.972155|2.419875|4.366132|2.077136|1.942181|0.049103|2.093439|3.878714|2.799717|1.948675|1.771095|2.538735|0.056194|1.682249|1.617713|1.713255|1.624455|1.475969|1.407099|1.462980|1.370005|1.261050|1.225093|1.284934|0.060658|0.069913|0.072631|0.084528|0.085574|0.110384|0.109507|0.139794|0.210276|0.216957|0.301472|0.500000| |2.707204|4.163328|3.998466|4.466993|6.760262|5.832795|7.295098|16.563092|17.468086|8.826288|2.742511|5.089801|2.253930|2.059884|0.051429|2.102584|3.747183|2.788431|2.021815|1.899515|2.797418|0.063639|1.899918|1.878235|2.077128|2.002837|1.770360|1.633255|1.671498|1.520471|1.389968|1.368155|1.467344|0.066839|0.070988|0.080466|0.115318|0.113724|0.107579|0.111116|0.200324|0.130688|0.133665|0.219423|0.148429|0.500000| |2.483617|3.922959|3.643042|4.045275|5.495702|4.979949|5.880329|16.954273|17.611665|8.811615|2.714103|5.257790|2.233832|2.103859|0.052222|2.171024|3.797895|2.958711|2.190365|2.023824|2.921101|0.067037|1.959563|1.967587|2.186254|2.135671|1.892993|1.735804|1.761288|1.593810|1.460665|1.446497|1.559707|0.061944|0.065775|0.071168|0.110708|0.097391|0.095127|0.109469|0.139746|0.109262|0.129914|0.148430|0.132528|0.301506|0.500000| |3.314846|5.640524|5.559391|6.903184|8.828889|6.790070|5.784187|12.524500|8.901069|17.513241|3.929076|7.910658|3.022461|2.823475|0.067676|2.994928|5.224994|4.053770|2.938033|2.624584|3.859469|0.091352|2.465800|2.404193|2.654040|2.476358|2.154273|2.001612|2.090219|1.884819|1.691182|1.643713|1.764612|0.079611|0.088271|0.091862|0.174123|0.131129|0.141916|0.207844|0.174100|0.138737|0.197962|0.133363|0.129616|0.173842|0.216699|0.500000| |3.544645|6.090243|6.627532|6.632316|8.729717|5.509606|4.975246|10.153079|8.897528|17.527883|4.022345|7.870485|3.042401|2.728124|0.065861|2.735306|4.751890|3.590222|2.634254|2.477907|3.768797|0.089536|2.508769|2.475018|2.818300|2.646279|2.251185|2.050577|2.125233|1.888792|1.689574|1.651802|1.791820|0.085936|0.089556|0.101810|0.226482|0.171355|0.136940|0.164753|0.215166|0.123020|0.138550|0.130590|0.109196|0.215986|0.211553|0.301990|0.500000| |7.424478|9.702095|4.647460|4.069155|3.069859|2.712740|2.243359|3.825876|2.273661|2.770760|8.789257|10.664937|17.680942|9.057633|0.218929|7.300396|14.237371|6.597093|3.986690|4.171999|7.568759|0.148513|4.708111|3.520272|3.324967|2.678746|2.373556|2.431142|2.880187|2.765566|2.320394|2.065503|2.103542|0.219529|0.221202|0.145362|0.116842|0.112671|0.116068|0.117994|0.080284|0.075886|0.077152|0.059607|0.057886|0.060380|0.059043|0.079047|0.078526|0.500000| |6.169159|9.055588|4.512321|3.618710|2.855322|2.452651|2.086811|3.637630|2.216752|2.689467|8.897666|11.494910|17.576659|8.731550|0.213805|5.518004|9.037342|5.678095|3.861842|4.464001|9.126976|0.178599|6.674711|4.623720|4.354051|3.309395|2.851759|2.909532|3.537998|3.276014|2.659778|2.359265|2.439518|0.206528|0.151775|0.130927|0.121435|0.113055|0.098072|0.101966|0.076156|0.067299|0.068629|0.056073|0.053383|0.059450|0.058414|0.075946|0.079181|0.304986|0.500000| |3.064500|4.716458|3.102412|3.223978|2.700136|2.597236|2.214886|3.938931|2.243360|2.646357|4.191234|7.996553|4.335912|5.660236|0.137438|9.648345|14.004393|25.958949|9.011734|5.719240|6.819246|0.135301|3.612279|3.108532|2.884972|2.487244|2.319972|2.423901|2.786711|2.759200|2.407595|2.162014|2.169116|0.080027|0.091218|0.074215|0.086624|0.073614|0.086094|0.107148|0.066359|0.069321|0.080673|0.056075|0.059216|0.056699|0.060420|0.082760|0.071278|0.117533|0.098521|0.500000| |2.947972|4.889592|3.349063|3.255657|2.804501|2.557104|2.235428|4.151597|2.469836|2.958550|4.587550|10.447779|4.327582|5.607423|0.126942|6.367859|8.439940|12.346283|17.547738|8.875445|9.414587|0.215124|4.658258|4.371218|4.166539|3.541636|3.223732|3.299957|3.783467|3.469532|2.936353|2.692400|2.817392|0.077969|0.081683|0.072383|0.101539|0.078768|0.081574|0.106487|0.068988|0.065870|0.077698|0.056870|0.058407|0.061935|0.068507|0.094510|0.083054|0.104452|0.103156|0.204603|0.500000| |2.509310|3.914210|2.641664|2.606618|2.285383|2.152064|1.910714|3.502613|2.038904|2.355342|3.517608|7.167535|3.638997|4.915295|0.124322|5.783987|7.884960|12.545404|17.615984|8.981864|7.662102|0.147136|4.138573|3.831953|3.415611|2.988638|2.886351|3.119528|3.613906|3.608723|3.137294|2.796866|2.792905|0.067720|0.071028|0.062000|0.077291|0.064173|0.067832|0.082986|0.057275|0.056597|0.065186|0.048979|0.050845|0.051840|0.056520|0.073359|0.065428|0.092209|0.089052|0.221235|0.301922|0.500000| |2.631811|4.175297|2.763330|2.540719|2.224669|2.013737|1.801955|3.320671|1.996320|2.321488|3.888859|8.120511|4.125340|5.612580|0.142397|4.922838|6.687693|7.728707|8.874977|17.682905|12.386626|0.218065|7.253182|7.412136|5.677832|4.587135|4.443062|5.139195|6.818562|6.221530|4.697018|4.023007|4.153348|0.073494|0.071351|0.064749|0.083205|0.068071|0.065338|0.077696|0.057034|0.052956|0.059046|0.047083|0.047158|0.051665|0.055611|0.070341|0.067192|0.097071|0.107912|0.126025|0.216617|0.211978|0.500000| |2.737247|4.170674|2.654066|2.477645|2.129098|1.958566|1.733335|3.129114|1.850099|2.145933|3.878749|7.434369|4.575065|7.118216|0.206331|6.272627|8.198632|9.591990|8.836624|17.609179|12.397585|0.180805|6.873151|5.457031|4.192658|3.407644|3.311918|3.841150|5.087181|5.534828|4.284321|3.455557|3.333383|0.077368|0.076307|0.066210|0.076767|0.065596|0.065541|0.075798|0.054758|0.052430|0.057582|0.045360|0.045727|0.048144|0.050753|0.064401|0.061095|0.111788|0.117030|0.148402|0.173464|0.216319|0.300350|0.500000| |3.040815|4.554509|2.799627|2.455382|2.102461|1.880967|1.670043|2.997704|1.808204|2.102499|4.222562|7.594502|5.367380|6.914219|0.216085|4.649413|6.756684|5.768965|4.612302|7.037932|12.375970|0.181089|17.677503|8.728807|5.648087|4.151392|3.907137|4.603655|6.947051|7.121086|4.781967|3.769786|3.731729|0.091181|0.080957|0.073149|0.081000|0.071148|0.065178|0.071827|0.055529|0.050739|0.053731|0.044541|0.043535|0.048036|0.049330|0.061084|0.061554|0.123295|0.163166|0.096550|0.113984|0.110745|0.180746|0.208105|0.500000| |3.821254|5.963202|3.531734|2.912953|2.446620|2.119389|1.862939|3.340160|2.053642|2.439846|5.746740|10.032651|7.158908|7.240554|0.187908|4.612069|6.893972|5.420179|4.196319|5.619245|12.408186|0.223113|17.691801|8.949242|7.225386|4.750480|4.016394|4.232363|5.681759|4.859810|3.620505|3.142593|3.314298|0.117251|0.096531|0.090442|0.103540|0.089633|0.076242|0.083530|0.065084|0.056968|0.059711|0.049965|0.047864|0.054872|0.055600|0.069912|0.073040|0.147212|0.252958|0.091974|0.112065|0.097330|0.146119|0.143346|0.303747|0.500000| |3.365505|5.705781|3.855478|3.099350|2.715987|2.280742|2.042382|3.783721|2.410978|2.889548|5.177739|10.981035|4.711737|4.610365|0.110751|3.634317|5.531772|4.689039|3.906024|4.688927|8.431706|0.209750|7.239526|8.988362|17.683046|8.882353|5.679844|4.936627|5.595463|4.107973|3.273975|3.124295|3.608628|0.096139|0.083097|0.084305|0.125567|0.097681|0.076978|0.088359|0.072027|0.059491|0.063817|0.054720|0.051691|0.064117|0.066773|0.083045|0.090614|0.103530|0.140182|0.082629|0.117090|0.091967|0.138496|0.109176|0.144273|0.215187|0.500000| |2.408168|3.864234|2.826121|2.419893|2.270898|1.955603|1.825592|3.465847|2.216408|2.514249|3.190190|6.552346|2.937919|2.965610|0.075207|2.575488|4.047915|3.509073|2.974666|3.365648|5.041281|0.115118|4.128102|5.628331|8.844081|17.740058|8.988812|5.609391|4.889852|3.582019|3.126387|3.290932|4.157505|0.067764|0.060976|0.063129|0.091130|0.074437|0.060438|0.068489|0.060937|0.050629|0.054528|0.049219|0.046556|0.059385|0.063553|0.071960|0.078932|0.070044|0.085107|0.064543|0.090230|0.075110|0.105868|0.081746|0.096168|0.112927|0.215484|0.500000| |1.922979|2.963049|2.125809|1.900973|1.793839|1.602266|1.511202|2.851095|1.767945|1.948980|2.440234|4.852418|2.382040|2.522864|0.066702|2.235563|3.517077|3.128564|2.695271|3.102160|4.254172|0.090178|3.542014|4.923890|5.648412|9.008977|17.720566|8.852672|5.577391|4.159071|3.958146|4.735436|7.134075|0.054508|0.050032|0.050354|0.065674|0.056152|0.048627|0.054412|0.048061|0.041933|0.045141|0.040667|0.039262|0.047314|0.050807|0.056282|0.058923|0.058390|0.068626|0.058054|0.078692|0.071383|0.101727|0.078658|0.089152|0.091312|0.124567|0.215877|0.500000| |2.301771|3.401571|2.206107|1.999271|1.770344|1.615672|1.464092|2.651784|1.586306|1.798699|2.984882|5.544891|3.457585|4.273118|0.130242|3.468534|5.201835|4.735802|4.000482|5.778421|7.311725|0.121950|6.974615|6.833964|4.600840|3.879951|4.124330|5.582264|8.753168|17.744787|9.101404|5.647892|4.944244|0.067512|0.062172|0.057216|0.064211|0.056811|0.053115|0.058591|0.046828|0.043467|0.046338|0.039039|0.038543|0.042127|0.043848|0.052488|0.052291|0.085081|0.100273|0.082790|0.098793|0.105627|0.174124|0.185718|0.260052|0.147014|0.108970|0.088659|0.095557|0.500000| |1.785339|2.600918|1.747051|1.617441|1.472382|1.365225|1.260868|2.295851|1.363207|1.508910|2.186344|4.072534|2.410738|2.808319|0.083138|2.490270|3.895570|3.510100|2.937450|3.664965|4.474875|0.081416|3.780927|4.113466|3.278255|3.124477|3.607282|4.931975|5.606941|9.026645|17.725161|8.836629|5.666475|0.051745|0.048522|0.045489|0.050794|0.045654|0.043126|0.047128|0.039163|0.036737|0.039114|0.033721|0.033472|0.036332|0.038035|0.043913|0.043621|0.061515|0.069012|0.064525|0.075024|0.082649|0.113529|0.112415|0.119543|0.089755|0.078561|0.073979|0.090165|0.220394|0.500000| |1.586919|2.333728|1.612999|1.494590|1.389411|1.286574|1.206183|2.222401|1.327362|1.449566|1.926154|3.649561|2.030185|2.273490|0.064510|2.056907|3.257118|2.924049|2.473593|2.918440|3.646839|0.070154|3.021554|3.577547|3.129188|3.291968|4.160296|5.609945|4.893438|5.644055|8.825552|17.735396|9.002473|0.045539|0.042715|0.041094|0.047513|0.042499|0.039492|0.043276|0.037108|0.034371|0.036697|0.032353|0.031992|0.035468|0.037483|0.042082|0.042183|0.051670|0.058046|0.054722|0.066328|0.069717|0.093326|0.082920|0.087578|0.074386|0.073987|0.079066|0.112304|0.124682|0.213784|0.500000| |1.686203|2.530931|1.781475|1.628692|1.528317|1.395338|1.315155|2.452870|1.487765|1.625785|2.085479|4.041563|2.121906|2.318810|0.063536|2.080190|3.281321|2.947132|2.532110|2.955411|3.828277|0.076872|3.192847|4.148948|3.962757|4.736149|7.137168|8.851035|5.579649|4.941500|5.639945|9.006276|17.720303|0.048101|0.044700|0.043943|0.053557|0.047025|0.042413|0.046936|0.040881|0.036912|0.039593|0.035329|0.034596|0.039781|0.042427|0.047125|0.048034|0.053069|0.060888|0.054983|0.070817|0.069561|0.097153|0.079024|0.086440|0.079829|0.090252|0.112241|0.218421|0.107380|0.124251|0.216175|0.500000| 1352.820562 -9329.050883 3712.989341 -186.726529 -4449.967510 3095.678818 -1354.288692 2.001085 3C6D0DBA1AFFFFF6 445345282CCBF3DD 43D58ACBA77553B1 42B1CF2112DB0FFF C057FFFFFFFFFFFE 44729AAF45FFADCB