Version2.1 2021-01-12T21:42:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C)c1ccc(cc1)C[NH2+][C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc4nccc(n4)c5ccccc5 C05397126 RHF 6-31G(d) (6D,7F) CN(C)c1ccc(cc1)C[NH2+][C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc4nccc(n4)c5ccccc5 C01[X(C25H30N5O2)] 180 C1 540 CN(c1ccc(cc1)C[NH2+][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(n1)c1ccccc1)C CN(c1ccc(cc1)C[NH2+][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(n1)c1ccccc1)C CN(C)c1ccc(C[NH2+][C@H]2CO[C@@H]3[C@H](CO[C@H]23)Nc4nccc(n4)c5ccccc5)cc1 InChIKey=BKFLVQGPDMCOHK-CJRSTVEYSA-O InChI=1S/C25H29N5O2/c1-30(2)19-10-8-17(9-11-19)14-27-21-15-31-24-22(16-32-23(21)24)29-25-26-13-12-20(28-25)18-6-4-3-5-7-18/h3-13,21-24,27H,14-16H2,1-2H3,(H,26,28,29)/p+1/t21-,22-,23+,24+/m0/s1 InChI=1/C25H29N5O2/c1-30(2)19-10-8-17(9-11-19)14-27-21-15-31-24-22(16-32-23(21)24)29-25-26-13-12-20(28-25)18-6-4-3-5-7-18/h3-13,21-24,27H,14-16H2,1-2H3,(H,26,28,29)/p+1/t21-,22-,23+,24+/m0/s1/fC25H30N5O2/h27,29H/q+1 CN(C)c1ccc(cc1)C[NH2+][C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc4nccc(n4)c5ccccc5 C01[X(C25H30N5O2)] 180 C01 540 CN(c1ccc(cc1)C[NH2+][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(n1)c1ccccc1)C CN([C]1[CH][CH][C]([CH][CH]1)C[NH2][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N[C]1[N][CH][CH][C]([N]1)[C]1[CH][CH][CH][CH][CH]1)C CN(C)[C]1[CH][CH][C]([CH][CH]1)C[NH2][C@H]2CO[C@@H]3[C@H](CO[C@H]23)N[C]4[N][CH][CH][C]([N]4)[C]5[CH][CH][CH][CH][CH]5 InChIKey=GREWRZDHTLVOIT-CJRSTVEYSA-N InChI=1S/C25H30N5O2/c1-30(2)19-10-8-17(9-11-19)14-27-21-15-31-24-22(16-32-23(21)24)29-25-26-13-12-20(28-25)18-6-4-3-5-7-18/h3-13,21-24H,14-16,27H2,1-2H3,(H,26,28,29)/t21-,22-,23+,24+/m0/s1 InChI=1/C25H30N5O2/c1-30(2)19-10-8-17(9-11-19)14-27-21-15-31-24-22(16-32-23(21)24)29-25-26-13-12-20(28-25)18-6-4-3-5-7-18/h3-13,21-24H,14-16,27H2,1-2H3,(H,26,28,29)/t21-,22-,23+,24+/m0/s1/f/h29H 2883.6361090129 -1385.9363722 1-A 34119.9622 115 425 540 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.69508 -20.68191 -15.84537 -15.67533 -15.65631 -15.62494 -15.62154 -11.43966 -11.43443 -11.42611 -11.42142 -11.41468 -11.40384 -11.39212 -11.36865 -11.36703 -11.36545 -11.35676 -11.35618 -11.35539 -11.35020 -11.34341 -11.34318 -11.32959 -11.32940 -11.29874 -11.29333 -11.28965 -11.28897 -11.28840 -11.28498 -11.28396 -1.54108 -1.50828 -1.47731 -1.41057 -1.36390 -1.31089 -1.26998 -1.26683 -1.21178 -1.20644 -1.16798 -1.15575 -1.13372 -1.12660 -1.09719 -1.08048 -1.07599 -1.07168 -1.06725 -1.00130 -0.99239 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1415.6580 1418.9853 1427.5998 1436.8319 1455.4036 1470.5654 1472.5041 1480.8369 1488.4939 1490.6675 1501.5237 1505.8155 1517.3105 1524.8713 1534.1106 1547.6326 1571.6624 1583.1831 1593.1120 1593.8808 1612.9213 1613.6593 1629.9166 1638.7091 1639.2929 1641.4869 1647.4807 1664.1766 1671.1219 1674.4740 1675.9494 1680.8643 1700.8004 1707.1542 1745.9776 1759.7706 1794.5497 1800.9294 1808.6150 1812.8326 1823.0800 3169.1088 3186.8491 3200.2034 3207.2093 3220.8028 3246.2858 3257.3058 3259.8194 3264.3080 3277.1006 3308.3409 3322.3627 3328.2830 3337.0224 3341.5404 3343.3027 3347.7064 3364.8184 3374.8113 3376.5627 3386.3762 3391.7607 3396.1341 3414.8194 3428.4387 3428.9869 3434.8506 3655.7621 3719.9888 3854.7659 5.9281 5.1542 3.9003 4.0434 4.3827 4.4113 4.5145 3.1543 3.8188 3.0025 3.6554 5.6143 2.6801 4.4393 4.0438 3.4454 2.6061 2.8850 1.3097 4.0839 2.7978 2.5160 3.9308 3.9687 3.4260 2.9992 6.4672 3.0060 4.1536 3.6134 2.9782 4.3150 3.7964 3.0546 2.4410 3.5004 3.1466 2.1567 2.1869 3.4462 3.3277 2.7711 4.0807 5.7929 6.5511 7.4557 6.7798 6.2926 4.6520 3.2798 3.6692 1.9194 3.6834 5.0972 2.2063 1.9175 1.8787 3.7375 2.6174 1.2508 2.8054 1.9435 2.2813 1.2516 3.0624 3.5194 2.6995 1.8749 3.2688 1.4241 1.9316 1.5719 2.4759 6.2895 1.3368 6.2795 3.0124 3.6051 1.3811 2.5264 1.3692 1.3924 2.9851 2.6814 1.5785 2.5174 2.2077 2.1377 2.3603 2.1813 2.2326 1.6556 1.6082 1.2314 1.4418 3.0040 3.9155 3.8504 2.7378 1.7777 1.8297 1.5087 1.3939 1.4731 1.3561 1.5521 1.9266 1.3331 1.3641 1.7990 1.5451 2.1500 1.4147 1.3016 1.3618 1.3665 1.4546 1.5829 1.8651 1.4097 1.2767 2.8430 1.6418 1.6835 1.3485 1.3129 1.6466 1.4524 1.4391 1.8084 2.1875 2.6085 1.0420 1.1357 1.1864 1.0461 1.0786 1.9619 1.1544 1.1377 1.0893 2.5185 2.3263 5.6087 5.6719 6.2285 4.5398 5.1875 5.0288 1.0867 1.0740 1.0861 1.0386 1.0421 1.0857 1.0730 1.1043 1.1066 1.0878 1.0605 1.0894 1.0943 1.0996 1.1022 1.0930 1.0999 1.0965 1.0874 1.0909 1.0926 1.0943 1.0989 1.0977 1.0940 1.0923 1.0924 1.0953 1.0567 1.0954 1.0776 0.0002 0.0006 0.0008 0.0023 0.0028 0.0037 0.0065 0.0077 0.0101 0.0097 0.0185 0.0432 0.0223 0.0561 0.0528 0.0598 0.0469 0.0719 0.0378 0.1238 0.0966 0.0882 0.1737 0.1914 0.1886 0.2203 0.5085 0.2451 0.3775 0.3752 0.3613 0.5328 0.4848 0.3983 0.3634 0.5612 0.5221 0.3744 0.3945 0.6608 0.6528 0.5646 0.9911 1.5431 1.7698 2.0573 1.9538 1.8731 1.5319 1.1199 1.2850 0.6945 1.3999 2.0451 0.9567 0.8491 0.8345 1.7570 1.2699 0.6218 1.4253 0.9962 1.1794 0.6778 1.7815 2.0962 1.6430 1.1848 2.0716 0.9462 1.2910 1.0843 1.7152 4.4017 0.9390 4.4265 2.1335 2.5570 1.0020 1.8961 1.0402 1.0593 2.2819 2.1673 1.2854 2.0584 1.8376 1.7890 2.0439 1.9218 2.0065 1.5209 1.4777 1.1341 1.3418 2.8160 3.7384 3.7488 2.7175 1.7714 1.8381 1.5211 1.4232 1.5508 1.4314 1.6481 2.0823 1.4681 1.6004 2.1242 1.8330 2.5817 1.7208 1.6245 1.7352 1.7457 1.8794 2.0664 2.4418 1.8726 1.7057 3.8563 2.2493 2.3345 1.9030 1.9107 2.4316 2.1718 2.1540 2.7718 3.3561 4.0829 1.6486 1.7981 1.8834 1.6729 1.7600 3.2280 1.9070 1.8829 1.8132 4.2924 3.9946 10.0737 10.3489 11.8181 8.6753 9.9978 9.7371 2.1280 6.3549 6.4987 6.2667 6.3156 6.6358 6.6624 6.9033 6.9282 6.8296 6.7100 7.0250 7.1170 7.1769 7.2313 7.1904 7.2437 7.2405 7.2536 7.3202 7.3396 7.3938 7.4480 7.4596 7.5164 7.5648 7.5674 7.6135 8.3206 8.9309 9.4344 0.0536 0.2608 0.0457 0.3087 0.2535 1.2965 1.2548 0.7752 0.5730 10.5068 2.6807 0.1825 3.2243 1.3834 1.4013 16.1343 2.1960 5.4746 0.0414 0.6812 3.8448 3.1722 2.4038 0.5775 2.0590 10.3947 2.1785 4.7671 9.0837 8.1389 0.5130 3.4294 12.4063 0.1352 35.2219 4.1404 5.2016 49.7256 57.1765 4.7853 11.5248 16.5284 3.2462 9.6823 2.3724 33.0179 0.4837 4.6440 6.5273 18.9030 1.2482 20.5989 2.0468 1.9981 11.5628 36.5684 67.0913 31.6574 9.3969 0.3323 99.0428 30.9562 45.6736 0.7533 66.8727 23.2190 12.5333 1.9688 17.7831 0.8196 1.9364 1.7600 81.2070 1.9583 0.1561 8.4122 12.6910 8.1817 0.2034 3.7231 0.0554 0.2743 143.4464 5.0826 21.5368 25.9743 10.1409 16.7688 9.8514 13.9851 24.6899 56.3550 17.9972 0.5678 6.3671 127.0856 338.0253 32.2094 32.8993 177.0228 14.2011 1.3094 13.6250 12.3646 0.3497 6.0608 0.3191 42.4949 10.8944 25.2135 101.4523 14.6682 21.9137 3.3016 9.3251 29.5603 6.4147 8.8033 25.7104 71.9275 1.5388 430.3434 159.3443 35.3972 2.0076 396.1821 16.8484 12.9840 4.9713 1.5937 22.0748 427.6714 0.2121 11.0426 27.5881 12.4830 2.5025 105.6088 3.8740 4.2227 24.9679 194.7975 264.6421 12.3049 278.9166 90.6291 371.8034 29.4603 767.8607 36.2766 42.4374 73.2463 72.7970 30.3977 12.2755 36.5269 3.3639 77.3412 46.4923 11.4976 6.0067 14.2912 2.0555 2.2072 21.6823 16.8464 40.4851 1.1272 5.3420 35.3501 27.2379 5.3900 19.1657 4.9925 5.6316 5.3043 2.9970 38.0531 53.5161 39.1189 0.5559 1.2640 1.0229 6.4241 3.6071 2.4594 2.7623 2.1948 2.3539 0.7845 1.2472 0.6744 0.4865 1.6875 1.0393 0.5450 0.9138 1.1017 0.0452 2.1328 1.8273 1.5078 1.9191 2.1460 0.3437 0.9526 1.0456 0.4986 2.2044 0.5539 0.7699 2.1275 1.1969 0.0177 0.4135 1.1801 0.8884 2.2614 2.9304 1.4223 2.6997 0.3918 1.7353 1.8445 7.0239 1.9224 5.5597 1.4145 3.8829 0.6713 7.5508 3.2719 8.6768 6.1348 1.6716 1.2172 1.0177 18.0205 1.8375 1.8903 7.2999 6.6466 0.5893 4.4887 46.8491 2.4890 7.6402 12.1189 4.7731 1.9786 23.3583 9.5189 1.3338 6.2985 0.5842 77.2042 2.0357 11.1517 0.1076 31.3004 1.5989 1.7123 7.6834 5.2226 0.2940 22.1330 2.4098 6.1024 3.3135 19.7260 7.6884 1.5033 4.0516 4.4935 0.2091 15.2550 8.7884 4.6179 2.8898 81.5796 3.5995 7.5121 32.2032 1.5775 2.7809 3.8935 8.6283 12.3971 22.0399 68.3564 44.9356 1.9815 6.3022 5.4301 6.1894 6.4472 4.5446 24.1742 38.1252 72.6736 5.5035 60.7108 7.9513 8.2794 6.1425 38.6955 15.8702 17.9656 7.2848 4.2377 7.1493 17.5699 8.0064 15.9014 8.8056 41.7672 1.6374 15.4072 15.7120 2.7270 20.8690 64.7255 2.3920 0.5039 11.3690 10.5700 330.6144 350.0902 65.9034 26.8623 55.9965 77.6744 14.3960 194.3826 83.6710 38.1360 102.0244 12.8955 77.0528 74.5391 27.4779 85.5419 0.5869 10.2180 75.7415 82.4943 211.4947 41.9615 174.0352 65.7261 93.4150 49.8005 183.5200 79.0918 77.4231 78.2119 95.2576 22.3636 12.7690 41.0422 0.7500 0.7493 0.7498 0.7494 0.7443 0.6961 0.6833 0.7419 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14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 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 2877.0438 59915.5541 61679.9256 1.00000 -0.00063 -0.00137 0.00062 0.99995 -0.01032 0.00138 0.01032 0.99995 1 0.03011 0.00145 0.00140 0.62729 0.03012 0.02926 11.09 19.42 26.85 45.12 47.40 54.38 70.93 92.41 96.58 106.35 133.38 164.39 171.00 210.73 214.21 246.91 251.50 295.95 318.63 326.32 348.36 351.05 394.02 411.59 439.75 508.05 525.59 535.22 565.05 603.97 652.91 658.67 669.86 676.87 723.27 750.52 763.54 780.96 796.14 820.78 830.17 846.11 923.78 967.43 974.25 984.64 1006.22 1022.65 1075.63 1095.29 1109.26 1127.48 1155.57 1187.32 1234.33 1247.36 1249.27 1285.16 1305.60 1321.62 1336.06 1342.01 1347.72 1379.41 1429.68 1446.59 1462.36 1490.10 1492.18 1527.84 1532.38 1556.80 1560.12 1568.08 1570.95 1573.75 1577.45 1578.61 1596.59 1623.86 1633.83 1634.91 1638.83 1685.18 1691.45 1694.92 1710.14 1714.72 1744.28 1759.40 1776.98 1796.53 1796.80 1798.84 1808.28 1814.80 1831.54 1849.53 1867.47 1871.12 1878.75 1882.13 1894.05 1923.25 1925.74 1931.50 1948.71 1967.07 2030.31 2036.82 2041.60 2054.00 2067.28 2094.00 2115.82 2118.61 2130.59 2141.61 2144.74 2160.36 2166.53 2183.07 2193.95 2207.24 2226.70 2261.27 2277.85 2292.13 2293.24 2320.63 2321.70 2345.09 2357.74 2358.58 2361.73 2370.36 2394.38 2404.37 2409.19 2411.32 2418.39 2447.07 2456.21 2512.07 2531.92 2581.96 2591.14 2602.19 2608.26 2623.01 4559.64 4585.17 4604.38 4614.46 4634.02 4670.68 4686.54 4690.15 4696.61 4715.02 4759.96 4780.14 4788.66 4801.23 4807.73 4810.27 4816.60 4841.22 4855.60 4858.12 4872.24 4879.99 4886.28 4913.16 4932.76 4933.55 4941.98 5259.83 5352.23 5546.15 0.568524 0.595446 0.596391 0.504922 -1385.367848 -1385.340926 -1385.339982 -1385.431450 3.067852D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE CN(C)c1ccc(cc1)C[NH2+][C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc4nccc(n4)c5ccccc5 C05397126 RHF 6-31G(d) (6D,10F) C1 432.239950 |X|Y|Z| 179.392295 21.864243 38.211842 53.118451 29 6 7 8 23 4 2 |36.858105| |13.128850|53.358707| |7.610512|17.868124|36.858105| |7.813418|19.061599|7.812800|36.858105| |6.733094|10.726924|5.086943|13.511235|36.858105| |4.530713|7.063617|3.918247|7.857576|13.849036|36.858105| |3.748276|6.182366|3.748302|6.722462|7.880582|13.685392|36.858105| |3.918292|7.063757|4.531095|7.857051|6.901975|8.000713|13.680690|36.858105| |5.087119|10.726838|6.733222|13.509196|7.922542|6.902929|7.880973|13.852128|36.858105| |2.912180|4.558229|2.912398|4.401343|5.029183|7.570831|12.745668|7.572822|5.030275|36.858105| |2.644483|4.076423|2.648669|3.773242|4.212059|5.727727|7.686100|5.765416|4.227602|12.495627|53.358707| |2.778320|4.201801|2.671382|3.875428|4.518176|6.193048|7.203315|5.257612|4.110812|9.189723|25.674037|0.500000| |2.679052|4.224389|2.797124|3.900805|4.121439|5.262432|7.266282|6.299861|4.572134|9.211965|25.647844|0.330266|0.500000| |2.194774|3.305020|2.202055|2.919979|3.196683|4.056512|4.944983|4.099422|3.218024|7.418476|17.380904|0.255158|0.258128|36.858105| |2.093545|3.182079|2.157783|2.794684|2.975291|3.696153|4.649347|4.065643|3.160316|6.937530|12.475656|0.180736|0.222134|17.635128|0.500000| |2.056759|3.013092|1.991028|2.617677|2.947705|3.720884|4.170356|3.383467|2.769814|5.923947|10.157863|0.191925|0.155828|12.447159|0.244369|36.858105| |1.801655|2.621721|1.762779|2.223303|2.443038|2.943100|3.247256|2.788963|2.351987|4.237455|7.120515|0.137112|0.123180|8.344834|0.197802|13.676541|73.516695| |1.777882|2.599177|1.761763|2.189616|2.366978|2.796095|3.096676|2.736847|2.330505|3.874754|6.998546|0.137112|0.129568|7.971728|0.185175|8.286504|24.003371|36.858105| |1.730127|2.499140|1.689216|2.083312|2.264871|2.636866|2.829884|2.504078|2.178380|3.401588|5.997132|0.124857|0.112176|5.950070|0.137526|6.555026|16.540323|17.585470|0.500000| |2.011513|2.997866|2.024555|2.574013|2.764813|3.319417|3.823651|3.374834|2.797130|4.868046|10.323433|0.193542|0.198924|12.466549|0.247088|8.004219|14.309311|12.381775|0.241464|36.858105| |2.117632|3.137248|2.098691|2.688346|2.914979|3.470087|3.865778|3.391007|2.867417|4.639378|9.972276|0.217332|0.197259|8.780469|0.175926|6.582580|11.068196|8.683363|0.223909|17.491816|0.500000| |1.901869|2.865160|1.980035|2.428907|2.518787|2.930002|3.431547|3.224137|2.700566|4.167714|7.985599|0.143786|0.176910|7.873102|0.213593|5.362251|10.067806|8.037238|0.172073|13.761298|0.259178|73.516695| |1.668221|2.476379|1.726125|2.056036|2.128547|2.424836|2.748211|2.602821|2.247307|3.250861|5.682660|0.107097|0.120117|5.465231|0.152830|4.494037|9.507070|8.029234|0.181304|8.322378|0.180435|23.742214|36.858105| |1.610099|2.363572|1.632269|1.964964|2.072023|2.389109|2.671308|2.459075|2.117747|3.249103|5.518472|0.104669|0.108791|5.734605|0.158719|5.418145|13.771877|12.457434|0.243629|7.918285|0.163989|14.497454|12.425375|36.858105| |1.594343|2.350344|1.629053|1.959182|2.057532|2.381956|2.700350|2.495853|2.130470|3.342833|5.456623|0.100155|0.106817|5.747106|0.175718|5.460682|13.541942|8.923362|0.176203|6.661326|0.137119|12.507843|8.884156|17.536283|0.500000| |1.455763|2.111019|1.463059|1.728908|1.822378|2.063944|2.248328|2.083465|1.835997|2.645593|4.308940|0.084555|0.085042|4.104034|0.111838|4.183439|10.329446|7.762948|0.208984|5.234966|0.124477|9.356546|7.620494|13.231794|0.251766|53.358707| |1.334758|1.934643|1.354704|1.569532|1.635464|1.827290|1.988854|1.876540|1.670921|2.299225|3.623962|0.070665|0.072690|3.305396|0.093371|3.310277|7.575336|5.075890|0.135579|3.960139|0.096556|7.518913|5.966500|7.753936|0.193529|18.886835|36.858105| |1.331111|1.944379|1.373429|1.576132|1.622470|1.804830|1.989438|1.908628|1.697486|2.289686|3.584089|0.068730|0.073359|3.226370|0.094297|3.082887|6.724674|4.454954|0.113643|3.804875|0.091814|7.774716|6.289539|6.877103|0.189669|11.256078|14.447019|53.358707| |1.224543|1.782781|1.268034|1.432028|1.465034|1.611425|1.763534|1.708880|1.537940|1.995935|3.048963|0.058784|0.062629|2.652810|0.077663|2.557876|5.387760|3.407341|0.089120|3.014472|0.074822|6.053317|4.456638|4.658916|0.132057|7.425411|8.528763|19.552931|36.858105| |1.142941|1.650818|1.172654|1.318208|1.353763|1.481374|1.600355|1.544205|1.401754|1.796388|2.714113|0.052989|0.055248|2.330279|0.067122|2.309816|4.853028|2.996909|0.080865|2.613866|0.066215|5.042776|3.560124|3.849343|0.107200|6.455045|7.203453|10.911030|13.875711|36.858105| |1.152572|1.655255|1.167518|1.323313|1.371545|1.505979|1.612981|1.537889|1.395812|1.816956|2.758779|0.054426|0.055471|2.386497|0.067461|2.431365|5.221787|3.216735|0.089263|2.696914|0.068790|5.025235|3.539251|4.047930|0.109265|7.425110|8.417020|9.499069|8.084928|13.620504|36.858105| |1.239966|1.781970|1.248035|1.434447|1.498175|1.660468|1.780753|1.678789|1.511783|2.031082|3.137596|0.062049|0.062531|2.780873|0.077606|2.872434|6.425240|4.061014|0.114162|3.221600|0.081322|5.891158|4.279194|5.283211|0.136376|11.373439|14.397152|10.975424|7.105259|8.067019|14.408851|53.358707| |1.072860|1.529873|1.079093|1.215321|1.261765|1.376211|1.457441|1.388629|1.271452|1.624493|2.434566|0.048488|0.048753|2.065958|0.057874|2.136722|4.496519|2.697411|0.076333|2.291992|0.059581|4.178863|2.817203|3.178861|0.085925|5.545899|5.271310|6.152532|5.083645|7.537126|12.820213|10.809771|36.858105| |1.071133|1.519316|1.066114|1.207197|1.262410|1.379424|1.449409|1.369124|1.254462|1.617603|2.412939|0.048393|0.047810|2.046587|0.056746|2.169491|4.582652|2.685994|0.077213|2.246508|0.058746|3.985301|2.627910|3.043027|0.082083|5.290156|4.604084|5.162009|3.951128|5.088443|7.645846|9.169164|13.678592|36.858105| |1.002323|1.414588|0.993948|1.117557|1.167933|1.267601|1.321914|1.251472|1.155191|1.460613|2.156140|0.043464|0.042743|1.797938|0.049716|1.907853|3.935884|2.278331|0.065719|1.948230|0.051558|3.439480|2.213821|2.504396|0.067830|4.157566|3.454853|4.062416|3.128454|3.882432|5.058873|6.176659|7.907642|13.778710|36.858105| |0.945889|1.335051|0.942756|1.049807|1.090728|1.176276|1.226779|1.170449|1.086062|1.344531|1.976736|0.039805|0.039475|1.630078|0.045275|1.704217|3.460052|2.015861|0.057756|1.763122|0.046862|3.152171|2.019834|2.222558|0.060390|3.604294|3.020542|3.705212|2.943017|3.690469|4.460318|5.175502|6.839893|7.938030|13.740701|36.858105| |0.946757|1.341669|0.951301|1.054681|1.089872|1.173758|1.230979|1.181905|1.096480|1.347665|1.987443|0.039840|0.039978|1.638747|0.045806|1.687179|3.420329|2.019513|0.057365|1.783832|0.047262|3.243169|2.100538|2.272049|0.061810|3.679572|3.184412|4.019671|3.326109|4.359975|5.041655|5.419290|7.901351|6.877482|7.943910|13.754947|36.858105| |1.004039|1.429962|1.013961|1.129001|1.165391|1.260836|1.331974|1.279528|1.180287|1.468106|2.183120|0.043529|0.044030|1.820470|0.051133|1.860184|3.819863|2.287095|0.064524|2.004086|0.052604|3.688276|2.443930|2.651358|0.072034|4.396067|4.016531|5.077309|4.377654|6.349940|7.596039|7.120053|13.684508|7.941830|6.883563|7.942748|13.764449|36.858105| |17.559800|12.318843|5.842328|6.884784|6.796992|4.631844|3.718973|3.742288|4.628256|2.923348|3.706563|0.081269|0.076335|2.253546|0.058875|2.120699|3.301458|1.842435|0.050220|2.087182|0.061885|3.476443|1.714261|1.653995|0.045131|2.040018|1.367045|1.845918|1.243867|1.162690|1.177399|1.730148|1.096727|1.097038|1.026425|0.967144|0.966643|1.024837|0.500000| |17.539667|12.277820|5.969829|6.863405|6.683166|4.590627|3.709095|3.752106|4.652117|2.913396|3.518531|0.075137|0.071445|2.163303|0.057454|2.060073|3.194765|1.750546|0.047260|1.959023|0.056832|3.269337|1.620281|1.581889|0.043728|1.950367|1.314172|1.778866|1.203434|1.126243|1.138131|1.666564|1.061923|1.063899|0.997016|0.939406|0.937720|0.992677|0.300056|0.500000| |17.665689|12.514951|7.537106|5.741191|4.897658|3.619007|3.136415|3.332548|4.244022|2.522970|3.165525|0.067361|0.065877|1.968753|0.052528|1.848112|2.917511|1.627391|0.044112|1.827273|0.053288|3.104067|1.546892|1.489045|0.040957|1.845118|1.251243|1.702538|1.157196|1.082769|1.089527|1.587652|1.017217|1.014165|0.951943|0.901540|0.903390|0.955987|0.302980|0.302218|0.500000| |7.536813|12.514693|17.665619|5.741047|4.243939|3.332490|3.136447|3.619260|4.897778|2.523105|3.168956|0.065684|0.067737|1.973231|0.053611|1.807774|2.873626|1.617142|0.043375|1.835553|0.052966|3.192395|1.584959|1.503676|0.041589|1.851904|1.264936|1.741996|1.187451|1.103685|1.100057|1.595341|1.021684|1.010648|0.945978|0.899311|0.906716|0.963148|0.160046|0.162688|0.253476|0.500000| |5.971557|12.276956|17.539922|6.860415|4.650563|3.750927|3.707972|4.589623|6.680606|2.912947|3.525281|0.071261|0.075686|2.172858|0.059960|1.966760|3.097037|1.728246|0.045721|1.975978|0.056142|3.453046|1.697632|1.612055|0.045071|1.963702|1.341565|1.858379|1.263823|1.167575|1.158817|1.681585|1.070509|1.056732|0.985131|0.934909|0.943980|1.006421|0.129521|0.147170|0.162803|0.302208|0.500000| |5.841172|12.319063|17.560873|6.886977|4.629676|3.743597|3.720271|4.633942|6.800105|2.924500|3.716809|0.076241|0.081917|2.265919|0.061756|2.015323|3.189878|1.815839|0.048312|2.109637|0.060977|3.713856|1.812403|1.690950|0.046708|2.056686|1.399974|1.940671|1.314944|1.211090|1.201834|1.748285|1.106922|1.089027|1.013029|0.962175|0.974045|1.040983|0.140057|0.129496|0.159958|0.302986|0.300057|0.500000| |7.642470|9.694127|4.625209|8.819007|17.794193|9.037088|5.649424|4.973735|5.624155|4.119894|4.891422|0.109064|0.096420|2.846900|0.073219|2.709617|4.047723|2.201195|0.059338|2.513796|0.074111|4.053696|1.961806|1.926086|0.052884|2.338333|1.544988|2.073036|1.381348|1.285971|1.308880|1.943034|1.212409|1.218572|1.132947|1.058380|1.053962|1.121780|0.233889|0.225968|0.148677|0.113770|0.115658|0.114554|0.500000| |3.965838|5.729351|3.278402|5.623363|9.025445|17.672762|8.878745|5.658795|4.964468|6.977392|7.550724|0.175405|0.133104|4.118985|0.101531|4.028052|5.559161|2.905407|0.076964|3.358089|0.097995|5.111501|2.411659|2.430658|0.067038|2.879142|1.857936|2.466598|1.614293|1.493358|1.531913|2.311567|1.405495|1.419735|1.305885|1.205790|1.196536|1.282239|0.115728|0.114612|0.089971|0.080224|0.087361|0.086962|0.220887|0.500000| |3.278470|5.729423|3.966142|5.622995|4.964049|5.658987|8.877070|17.673801|9.025860|6.980689|7.635702|0.133652|0.179430|4.200986|0.121743|3.356584|5.012647|2.789713|0.069808|3.463486|0.093978|6.113469|2.756373|2.568205|0.073333|2.931224|1.954246|2.743090|1.804317|1.615397|1.593915|2.360209|1.429544|1.399821|1.274808|1.194627|1.212185|1.318227|0.086937|0.087386|0.080226|0.089977|0.114591|0.115773|0.107825|0.123882|0.500000| |4.625590|9.694570|7.643358|8.818443|5.624282|4.974262|5.649622|9.039164|17.794655|4.120908|4.914911|0.096379|0.110416|2.873919|0.079856|2.473430|3.820564|2.149445|0.055853|2.557545|0.072323|4.505278|2.135575|1.992891|0.055835|2.366248|1.599433|2.230270|1.495618|1.361950|1.347187|1.971894|1.227871|1.205882|1.112399|1.050796|1.064700|1.145810|0.114533|0.115692|0.113778|0.148690|0.225924|0.233996|0.123216|0.107833|0.220914|0.500000| |2.652695|4.184642|2.772623|3.921891|4.190730|5.631566|8.824837|7.055124|4.694299|17.626868|12.399369|0.181217|0.221310|6.983537|0.214899|5.433636|7.308922|3.749411|0.089451|4.621351|0.116400|7.474175|3.304293|3.293812|0.097228|3.616915|2.344113|3.231126|2.074935|1.851539|1.852238|2.799453|1.646483|1.628828|1.466857|1.353645|1.362778|1.489894|0.072712|0.073783|0.064958|0.066815|0.078717|0.077728|0.097005|0.142734|0.210903|0.112145|0.500000| |2.775324|4.187568|2.653205|3.925374|4.703854|7.082421|8.840500|5.628387|4.190984|17.634880|12.358531|0.221409|0.181122|6.862620|0.172370|6.654723|8.007544|3.874525|0.095631|4.536597|0.120066|6.668092|3.048039|3.177847|0.091100|3.582439|2.276617|3.036332|1.948922|1.773352|1.812808|2.768717|1.632485|1.642811|1.486958|1.361121|1.354441|1.469186|0.077838|0.078784|0.066868|0.064975|0.073731|0.072764|0.112389|0.212202|0.142499|0.096972|0.300929|0.500000| |2.034636|2.975252|1.967623|2.584527|2.915533|3.692426|4.140752|3.346760|2.734653|5.982653|8.556566|0.157158|0.134775|8.631856|0.215056|17.644777|16.806224|5.948623|0.137053|5.696737|0.134617|7.751356|3.780841|4.521430|0.134415|4.964714|3.016175|3.870888|2.410649|2.194005|2.296266|3.627437|2.038755|2.079759|1.843205|1.649091|1.627340|1.783542|0.057668|0.057296|0.050778|0.049634|0.054563|0.054775|0.074545|0.111787|0.092426|0.067858|0.159337|0.203296|0.500000| |2.154385|3.111631|2.025088|2.700903|3.126319|3.971114|4.200765|3.324935|2.777698|5.603064|9.537943|0.210458|0.145954|8.756036|0.172975|17.463830|16.440484|6.905087|0.176610|6.838675|0.182756|8.213960|3.928214|4.541518|0.121026|5.094779|2.984293|3.740747|2.316455|2.126127|2.258373|3.614550|2.018691|2.069216|1.840177|1.644948|1.618477|1.767721|0.062523|0.060023|0.053474|0.051274|0.055003|0.056682|0.081104|0.124734|0.088688|0.068167|0.132979|0.181267|0.300007|0.500000| |1.627440|2.397975|1.672325|1.971200|2.040669|2.292898|2.543123|2.416219|2.127181|2.918275|5.066861|0.099521|0.107601|4.564588|0.121676|3.920820|8.152786|6.819875|0.179414|6.924121|0.174632|16.376856|17.564204|8.776739|0.174149|9.812614|5.728312|7.810818|4.244592|3.503222|3.543289|5.834258|2.852502|2.654181|2.244125|2.055620|2.142591|2.489884|0.046766|0.043718|0.042079|0.042912|0.045354|0.048910|0.052713|0.063548|0.070081|0.056290|0.080649|0.076484|0.091773|0.100168|0.500000| |1.594139|2.376489|1.677026|1.959909|1.999374|2.251505|2.567561|2.490193|2.162843|2.994056|5.003401|0.092960|0.107775|4.588917|0.136700|3.801400|7.784146|5.739072|0.134095|6.000347|0.136459|16.643098|17.730634|8.670325|0.219311|8.616452|5.827211|9.736558|5.084508|3.827528|3.604189|5.667016|2.826829|2.574318|2.171749|2.007572|2.118750|2.487461|0.045173|0.042994|0.041290|0.042817|0.046101|0.049045|0.051106|0.061550|0.074487|0.057865|0.086694|0.077421|0.093006|0.092276|0.299733|0.500000| |1.437917|2.068735|1.425647|1.691492|1.800097|2.040869|2.191540|2.007534|1.776957|2.574561|4.142582|0.082697|0.080192|3.903852|0.103804|4.249703|10.805796|7.433294|0.223192|4.787514|0.117671|7.938893|5.726784|9.124137|0.197435|26.024262|9.621837|8.249820|4.529886|4.249993|5.186983|11.000462|4.131952|4.187449|3.277544|2.762654|2.745188|3.216464|0.041238|0.039478|0.037161|0.036933|0.039002|0.040680|0.047485|0.058816|0.057004|0.046513|0.070973|0.072506|0.103415|0.108220|0.155622|0.133812|0.500000| |1.211772|1.771410|1.268486|1.419500|1.440121|1.576321|1.734058|1.700269|1.533850|1.948784|2.949985|0.056515|0.061257|2.526254|0.074954|2.390188|4.898975|3.066133|0.079373|2.825058|0.070329|5.791934|4.121234|4.066883|0.117834|5.972751|5.954894|12.702682|17.707187|8.934233|5.688519|6.902873|4.098233|3.287265|2.715924|2.615028|2.966789|3.767313|0.034064|0.033029|0.031888|0.032987|0.035222|0.036632|0.037613|0.043541|0.050252|0.041717|0.056760|0.052424|0.063063|0.060096|0.107883|0.136552|0.102991|0.500000| |1.079524|1.556735|1.110635|1.236565|1.264720|1.374960|1.480688|1.437433|1.313373|1.646790|2.458608|0.048068|0.050191|2.076098|0.059915|2.055093|4.228253|2.569584|0.069499|2.291462|0.058622|4.409201|3.012124|3.181444|0.089426|5.097235|5.128779|7.767411|8.934939|17.798679|8.778491|7.763130|6.825785|4.636293|3.757815|3.768273|4.684445|6.873577|0.030440|0.029562|0.028506|0.029120|0.030769|0.031842|0.033441|0.038418|0.041778|0.035602|0.047228|0.045144|0.054735|0.052887|0.082593|0.090306|0.095600|0.214003|0.500000| |1.126449|1.597610|1.115527|1.275320|1.341653|1.475856|1.550554|1.452549|1.323944|1.745713|2.614875|0.052500|0.051364|2.246189|0.061923|2.425732|5.232877|3.035242|0.087869|2.466743|0.064146|4.301217|2.836695|3.409667|0.091623|6.082152|5.095954|5.410409|3.918905|4.740960|7.108372|10.312483|8.930982|17.763412|8.924421|5.647633|4.957947|5.654635|0.032091|0.031129|0.029523|0.029311|0.030699|0.031604|0.035960|0.042414|0.041156|0.035181|0.048682|0.049559|0.064446|0.064168|0.078981|0.075819|0.140687|0.089827|0.115154|0.500000| |0.996079|1.400376|0.981162|1.105559|1.160074|1.258920|1.305417|1.230494|1.137536|1.440668|2.116544|0.042852|0.041732|1.758008|0.048351|1.888307|3.875688|2.211227|0.064170|1.888552|0.050214|3.290055|2.087098|2.374137|0.064345|3.882608|3.107265|3.647329|2.742940|3.264853|4.121556|5.356468|5.634822|8.936975|17.721817|8.910732|5.647922|4.957836|0.028362|0.027589|0.026267|0.025971|0.027001|0.027699|0.031367|0.036190|0.034668|0.030356|0.040031|0.040991|0.050902|0.050972|0.058643|0.056361|0.086539|0.066945|0.087215|0.215350|0.500000| |0.903433|1.271156|0.898252|0.996171|1.034733|1.111562|1.154203|1.102323|1.027221|1.258036|1.838811|0.037129|0.036714|1.503114|0.041677|1.573105|3.157620|1.827403|0.052409|1.614120|0.043143|2.874726|1.818077|1.984905|0.054029|3.157331|2.586678|3.211938|2.527660|3.065654|3.563403|4.279084|4.935029|5.646418|8.908347|17.720453|8.915804|5.648261|0.025655|0.024948|0.023964|0.023860|0.024743|0.025426|0.027972|0.031670|0.031179|0.027631|0.035124|0.035430|0.042449|0.042413|0.051404|0.050131|0.067287|0.063538|0.087512|0.124169|0.214756|0.500000| |0.904902|1.281531|0.911624|1.003739|1.033570|1.107931|1.160579|1.119616|1.043160|1.262743|1.854492|0.037185|0.037448|1.515477|0.042424|1.549651|3.104796|1.832664|0.051906|1.643000|0.043715|3.000815|1.926171|2.048952|0.055871|3.249334|2.775231|3.593877|2.989262|3.796962|4.106689|4.529492|5.633006|4.954983|5.646351|8.910737|17.724813|8.933077|0.025638|0.024878|0.024047|0.024184|0.025137|0.025940|0.027789|0.031290|0.031911|0.028224|0.035497|0.035162|0.041606|0.041387|0.054651|0.054289|0.066727|0.076141|0.116798|0.107620|0.124111|0.214761|0.500000| 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