Version2.1 2021-01-13T09:36:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1cccc(c1)Cn2c3c(c(n2)C(=O)N4CCC[C@H](C4)O)C[NH+](CC3)C5CCCC5 C14744359 RHF 6-31G(d) (6D,7F) COc1cccc(c1)Cn2c3c(c(n2)C(=O)N4CCC[C@H](C4)O)C[NH+](CC3)C5CCCC5 C01[X(C25H35N4O3)] 195 C1 550 COc1cccc(c1)Cn1nc(c2c1CC[NH+](C2)C1CCCC1)C(=O)N1CCC[C@H](C1)O COc1cccc(c1)Cn1nc(c2c1CC[NH+](C2)C1CCCC1)C(=O)N1CCC[C@H](C1)O COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c4C[NH+](CCc24)C5CCCC5)c1 InChIKey=FXRMUIXRPIBOMC-HXUWFJFHSA-O InChI=1S/C25H34N4O3/c1-32-21-10-4-6-18(14-21)15-29-23-11-13-27(19-7-2-3-8-19)17-22(23)24(26-29)25(31)28-12-5-9-20(30)16-28/h4,6,10,14,19-20,30H,2-3,5,7-9,11-13,15-17H2,1H3/p+1/t20-/m1/s1 InChI=1/C25H34N4O3/c1-32-21-10-4-6-18(14-21)15-29-23-11-13-27(19-7-2-3-8-19)17-22(23)24(26-29)25(31)28-12-5-9-20(30)16-28/h4,6,10,14,19-20,30H,2-3,5,7-9,11-13,15-17H2,1H3/p+1/t20-/m1/s1/fC25H35N4O3/h27H/q+1 COc1cccc(c1)Cn2c3c(c(n2)C(=O)N4CCC[C@H](C4)O)C[NH+](CC3)C5CCCC5 C01[X(C25H35N4O3)] 195 C01 550 COc1cccc(c1)Cn1nc(c2c1CC[NH+](C2)C1CCCC1)C(=O)N1CCC[C@H](C1)O CO[C]1[CH][CH][CH][C]([CH]1)C[N]1[N][C]([C]2[C]1CC[N@H](C2)C1CCCC1)[C]([N]1CCC[C@H](C1)O)=O CO[C]1[CH][CH][CH][C]([CH]1)CN2[N][C]([C]3C[NH](CC[C]23)C4CCCC4)C(=O)N5CCC[C@@H](O)C5 InChIKey=NZYKKNRNWMTONY-HXUWFJFHSA-N InChI=1S/C25H35N4O3/c1-32-21-10-4-6-18(14-21)15-29-23-11-13-27(19-7-2-3-8-19)17-22(23)24(26-29)25(31)28-12-5-9-20(30)16-28/h4,6,10,14,19-20,27,30H,2-3,5,7-9,11-13,15-17H2,1H3/t20-/m1/s1 InChI=1/C25H35N4O3/c1-32-21-10-4-6-18(14-21)15-29-23-11-13-27(19-7-2-3-8-19)17-22(23)24(26-29)25(31)28-12-5-9-20(30)16-28/h4,6,10,14,19-20,27,30H,2-3,5,7-9,11-13,15-17H2,1H3/t20-/m1/s1 3270.6607790518 -1409.2668015 1-A 19751.2930 118 432 550 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11.59060
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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|A|A|A|A|A|A| 11.5750 14.8272 19.0899 24.1156 31.3694 44.0867 56.5409 61.8620 74.4311 81.9268 89.7048 107.6003 136.4437 152.9637 173.8944 187.5862 195.5396 221.2437 222.6784 234.1192 244.3072 254.0912 276.6385 296.9084 310.2266 312.8278 318.6558 332.0570 345.8550 373.5643 390.7161 405.6187 414.8949 432.0857 436.0690 474.1116 490.1631 493.5781 507.3070 517.8622 539.7690 551.2731 580.5551 604.4128 612.1241 626.8437 650.6025 667.5065 695.2171 719.7904 731.6463 753.3072 760.1945 778.9982 795.8864 824.3725 850.1531 866.3658 879.9891 889.7957 901.1630 912.5775 922.5851 941.6964 942.5319 966.7748 967.9243 981.5491 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3229.2413 3230.2089 3248.5492 3256.3362 3257.9379 3266.9432 3272.2426 3272.2819 3280.6761 3285.0726 3288.5945 3292.6630 3294.4820 3299.6595 3305.9903 3326.1052 3343.5915 3355.9119 3361.3200 3366.7559 3375.7693 3384.6916 3387.6640 3409.4619 3412.7418 3683.5385 4106.3063 4.9037 4.0697 4.5570 4.6370 4.4230 2.8553 3.7671 3.8465 3.9258 3.3654 3.0242 4.2989 3.6316 3.7541 4.6881 3.1945 3.3928 2.8182 3.2674 1.9929 2.2487 2.9092 2.8507 1.7639 3.2346 1.6459 1.8608 3.2607 2.9293 4.1828 3.2760 2.3920 3.1602 3.6686 3.1177 4.5353 3.0896 3.4577 3.9714 2.4434 3.3827 2.3199 3.1593 4.0789 4.5199 2.5713 3.9413 3.6254 5.2584 4.3413 5.3192 5.6195 3.0459 2.8429 4.2307 4.1064 1.2756 7.2961 2.2152 1.6043 2.0758 2.5433 2.8560 2.4951 1.4458 2.3126 2.5830 2.6147 1.9895 2.0950 1.4460 2.2326 1.7720 2.0021 2.4567 1.9047 2.0247 2.5811 3.6809 1.8180 1.4122 1.3268 2.0341 2.3652 2.4801 2.4167 3.1707 1.8453 1.9915 1.7367 3.1376 3.1163 3.3604 2.7425 2.2845 1.6334 1.9190 1.6442 1.2667 1.3621 1.1686 1.6424 1.4452 1.3315 1.6091 1.3928 1.7357 1.3454 1.4304 2.1432 1.5555 1.2128 1.2256 1.2573 1.3281 3.7749 1.4801 1.3169 1.3040 1.3178 1.5275 1.3487 1.6762 1.4080 1.7758 1.4906 1.4206 1.4749 1.5650 1.4147 1.7230 1.6524 1.7012 1.2593 1.5660 1.2929 2.6824 2.1676 1.1427 1.0960 1.1020 1.4327 1.2466 1.1162 1.1152 1.1089 1.0989 1.0506 1.1107 1.1096 1.0640 1.2974 2.2729 1.1140 3.3888 5.3103 9.2806 5.4066 5.6020 10.3765 1.0853 1.0726 1.0736 1.0714 1.0702 1.0663 1.0343 1.0699 1.0732 1.0648 1.0666 1.0992 1.0667 1.0902 1.1011 1.0979 1.0942 1.1078 1.0714 1.0741 1.0974 1.0927 1.1030 1.1021 1.1028 1.0950 1.1060 1.0888 1.0924 1.0957 1.1020 1.0904 1.0939 1.0779 1.0670 0.0004 0.0005 0.0010 0.0016 0.0026 0.0033 0.0071 0.0087 0.0128 0.0133 0.0143 0.0293 0.0398 0.0518 0.0835 0.0662 0.0764 0.0813 0.0955 0.0644 0.0791 0.1107 0.1285 0.0916 0.1834 0.0949 0.1113 0.2118 0.2064 0.3439 0.2947 0.2319 0.3205 0.4035 0.3493 0.6006 0.4374 0.4963 0.6022 0.3861 0.5807 0.4154 0.6274 0.8779 0.9978 0.5953 0.9829 0.9517 1.4974 1.3252 1.6776 1.8789 1.0371 1.0164 1.5789 1.6442 0.5432 3.2266 1.0107 0.7484 0.9932 1.2479 1.4323 1.3037 0.7568 1.2735 1.4258 1.4842 1.1479 1.2225 0.8633 1.3617 1.1226 1.2829 1.5986 1.2668 1.3680 1.7576 2.5430 1.2687 1.0222 0.9708 1.4932 1.7676 1.8619 1.9127 2.6277 1.5394 1.6867 1.4901 2.7162 2.7603 2.9854 2.4816 2.1009 1.5284 1.8670 1.6120 1.2475 1.3570 1.1768 1.6565 1.4821 1.3933 1.7035 1.4945 1.8777 1.5041 1.6101 2.4391 1.7940 1.4089 1.4694 1.5286 1.6386 4.6664 1.8464 1.6467 1.6459 1.6761 1.9790 1.7596 2.1898 1.8568 2.3549 1.9893 1.9163 2.0181 2.1581 1.9706 2.4337 2.3615 2.4538 1.8269 2.3318 1.9347 4.1179 3.3481 1.7854 1.7178 1.7347 2.2579 1.9667 1.7649 1.7688 1.7622 1.7538 1.6866 1.7833 1.7880 1.7241 2.1119 3.7318 1.8321 5.6052 9.0560 17.3713 10.1884 10.8849 21.0346 6.4566 6.4643 6.5030 6.5058 6.5084 6.4907 6.3080 6.5703 6.5935 6.5458 6.6316 6.8673 6.6711 6.8554 6.9465 6.9267 6.9388 7.0434 6.8271 6.8611 7.0173 7.0096 7.1029 7.1835 7.2639 7.2661 7.3624 7.2712 7.3346 7.3954 7.4514 7.4679 7.5062 8.6171 10.6007 0.3701 0.5681 1.0263 0.0558 0.4906 0.3004 2.5362 1.2795 1.3496 7.4417 3.1293 1.9368 4.7707 1.4384 3.2024 2.8120 4.7662 2.3390 3.2845 0.0559 0.3022 3.1551 3.3712 1.8981 13.2507 101.1972 37.1427 0.9475 4.9159 0.7847 4.1918 6.7762 10.6310 3.1400 14.3297 3.5107 0.6145 1.9163 4.0984 15.7382 12.7156 3.0088 2.1295 5.3761 2.5082 5.5895 12.9003 3.4200 5.1625 22.9653 14.8109 15.8345 4.8864 13.1677 17.6305 21.8972 1.7612 5.1639 24.4576 41.2540 1.4466 0.8861 27.8845 26.1372 2.5989 8.6036 1.3001 9.5498 10.4530 14.2432 10.3913 1.3127 48.8536 5.2820 4.5853 1.5622 63.8246 16.9976 2.9168 4.0971 3.1881 0.9591 16.4764 9.6444 5.5047 49.4140 93.3892 13.6084 19.9651 1.4908 25.5470 22.3621 45.8580 16.3951 1.4550 36.0081 124.5288 30.5136 4.1988 48.1442 2.4404 6.4225 2.3464 1.5704 28.6686 5.5530 104.9719 7.3748 64.5949 137.8241 108.3795 1.6282 2.8300 7.5418 0.5275 296.0890 10.9164 21.0391 3.0841 14.4366 8.5561 12.9997 15.5019 8.2558 43.1206 1.3143 8.7442 3.7183 81.9524 12.9729 31.3364 1.4998 37.5206 67.6957 14.4189 68.9373 51.2946 176.4499 5.2713 3.1563 1.1782 1.2993 21.0741 7.3654 23.9362 7.1746 4.8411 6.7063 2.1127 4.1941 14.6727 43.8782 76.0260 2.9457 66.5124 219.2711 61.4805 81.3833 94.3011 486.1830 33.6303 14.4576 11.9257 31.1630 22.0576 20.7171 45.1393 25.8409 67.2154 9.3605 27.7655 62.6307 18.3397 1.0218 33.0145 16.3153 5.5245 45.3741 6.7341 4.9960 14.6465 12.9606 42.6110 1.9749 30.3953 6.1238 5.4960 4.3856 6.0578 12.3219 0.3057 2.6916 7.9909 26.1173 53.1551 1.4524 0.5219 1.9268 2.0572 0.7861 0.6950 0.6285 0.8407 0.7249 0.0859 0.3194 0.4609 0.4552 1.1171 1.2270 0.9690 1.2000 0.7310 2.7725 1.9705 0.3207 1.2162 0.7918 0.9312 1.8238 2.1021 1.2051 1.3666 0.8998 0.5715 0.9435 1.0271 1.2240 0.4687 0.7707 0.4301 1.7819 0.9830 1.8439 1.0203 1.1427 1.9220 7.3944 1.8411 1.2562 1.2894 1.2885 2.4702 3.2190 3.4281 0.5858 1.5772 3.1973 7.7460 7.0313 17.0472 1.1219 1.3217 6.6122 1.3621 5.5338 2.8886 1.3569 11.5244 1.0980 6.2696 11.3312 0.5356 0.7291 0.7712 1.3532 4.9341 1.2733 4.5559 1.1627 2.8429 5.7416 8.8581 19.3590 1.5702 3.6143 0.4116 9.4567 1.1408 3.2588 22.5031 5.7932 1.7229 3.6154 4.3024 3.6427 5.9371 11.5929 6.6614 5.7942 1.9452 2.3345 1.7078 4.6837 1.8239 4.0521 2.1219 2.5908 5.1347 8.5265 4.7293 7.8701 8.8408 14.2269 2.0045 2.4818 3.8965 15.8209 12.4636 2.2553 11.8521 4.2566 5.5722 13.7329 2.9845 9.8322 0.8424 6.1404 0.9080 4.0790 6.4416 2.0751 3.8488 5.5077 5.6935 9.3933 16.9834 7.1212 4.6074 6.5617 5.4507 10.9604 3.0345 8.0301 15.3979 16.1534 9.5260 7.3417 16.6410 11.9312 8.5445 6.1008 24.2202 9.9962 3.2562 11.2248 9.8341 4.0698 5.0763 42.6142 32.5451 13.5341 19.6076 15.2942 34.9322 63.2488 49.1318 121.8213 39.2336 19.4590 38.0292 105.3294 69.3240 106.3544 93.8760 96.2395 120.3145 74.1418 17.6070 119.3138 45.1721 33.2135 47.1067 26.7859 52.0226 150.2729 100.5840 100.1473 54.9905 129.1062 36.3288 57.7602 48.4527 51.8270 94.4988 36.2474 90.3126 120.1739 14.5990 91.3273 0.7409 0.7474 0.7323 0.7490 0.6814 0.7443 0.5584 0.7432 0.7498 0.7422 0.5252 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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 66 67 6 8 6 6 6 6 6 6 6 7 6 6 6 7 6 8 7 6 6 6 6 1 6 8 6 7 1 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 1 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 14.00307 1.00783 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 1.00783
14248.0219 21793.4889 33905.5588 0.99975 -0.02231 -0.00102 0.02231 0.99975 0.00082 0.00101 -0.00084 1.00000 1 0.00608 0.00397 0.00255 0.12667 0.08281 0.05323 16.65 21.33 27.47 34.70 45.13 63.43 81.35 89.01 107.09 117.87 129.07 154.81 196.31 220.08 250.20 269.89 281.34 318.32 320.38 336.85 351.50 365.58 398.02 427.18 446.35 450.09 458.47 477.76 497.61 537.48 562.15 583.59 596.94 621.68 627.41 682.14 705.24 710.15 729.90 745.09 776.61 793.16 835.29 869.62 880.71 901.89 936.07 960.39 1000.26 1035.62 1052.68 1083.84 1093.75 1120.80 1145.10 1186.09 1223.18 1246.51 1266.11 1280.22 1296.57 1313.00 1327.39 1354.89 1356.09 1390.97 1392.63 1412.23 1423.78 1431.86 1448.32 1463.88 1491.93 1500.44 1512.03 1528.67 1540.73 1546.80 1557.99 1565.88 1594.77 1603.31 1605.98 1620.41 1624.11 1667.56 1706.40 1712.06 1725.04 1736.23 1744.02 1764.13 1766.75 1783.04 1797.52 1813.17 1848.84 1855.96 1860.21 1870.90 1880.99 1882.46 1898.19 1917.39 1928.62 1941.68 1949.60 1981.88 1988.65 1999.65 2012.99 2020.29 2052.48 2066.76 2082.02 2084.04 2093.53 2096.06 2105.89 2113.95 2133.55 2141.00 2142.45 2152.55 2158.51 2165.38 2176.99 2192.58 2201.16 2212.32 2227.70 2240.76 2251.21 2257.71 2287.30 2292.89 2322.46 2329.57 2343.01 2346.63 2351.71 2353.08 2354.41 2356.99 2360.64 2362.94 2367.99 2374.94 2375.11 2379.39 2386.09 2391.44 2401.77 2403.84 2410.67 2447.82 2564.46 2573.11 2612.82 2668.76 4571.81 4601.65 4613.14 4619.06 4622.37 4624.62 4629.00 4644.99 4646.16 4647.55 4673.94 4685.14 4687.45 4700.40 4708.03 4708.08 4720.16 4726.49 4731.55 4737.41 4740.02 4747.47 4756.58 4785.52 4810.68 4828.41 4836.19 4844.01 4856.98 4869.82 4874.09 4905.46 4910.17 5299.79 5908.06 0.631372 0.659200 0.660144 0.568055 -1408.635430 -1408.607602 -1408.606658 -1408.698746 3.088647D-04
MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE COc1cccc(c1)Cn2c3c(c(n2)C(=O)N4CCC[C@H](C4)O)C[NH+](CC3)C5CCCC5 C14744359 RHF 6-31G(d) (6D,10F) C1 439.270916 |X|Y|Z| 107.056227 86.656246 27.943832
63.762586 28 6 7 24 4
|36.858105| |13.560230|73.516695| |8.009050|25.241745|36.858105| |6.704510|14.006166|13.765454|36.858105| |4.502947|9.255753|7.951664|13.683201|36.858105| |3.782124|8.210813|6.836437|7.888702|13.830035|36.858105| |3.979748|9.423571|7.895186|6.841992|7.961527|13.646947|36.858105| |5.258473|14.623372|13.631689|7.927095|6.916384|7.936269|13.819830|36.858105| |3.114485|7.031027|5.016204|4.431523|5.032253|7.540190|12.575561|7.608404|36.858105| |2.685098|5.807364|3.999928|3.755577|4.384805|6.270869|7.675943|5.323291|13.053633|53.358707| |2.614025|5.591955|3.737305|3.505943|3.947679|5.135405|5.968148|4.730283|7.540062|19.304033|36.858105| |2.235430|4.614490|3.013601|2.936694|3.343461|4.159135|4.388423|3.586368|5.284763|11.927325|14.021324|36.858105| |2.118381|4.340500|2.856895|2.832019|3.314416|4.229149|4.313060|3.396671|5.445739|12.269000|8.676843|13.456538|36.858105| |2.322791|4.849022|3.266875|3.202020|3.814962|5.216068|5.511942|4.046624|7.899409|19.579076|8.647521|8.555393|14.610329|53.358707| |1.827826|3.655980|2.353716|2.368872|2.739482|3.309557|3.267561|2.694280|3.881734|7.227976|5.245840|7.492099|12.680574|10.238685|36.858105| |1.718112|3.409050|2.160305|2.166103|2.453800|2.875792|2.861725|2.437954|3.305126|5.959616|4.717860|6.963780|8.344975|7.372881|15.668212|73.516695| |1.725025|3.416023|2.193238|2.231814|2.593307|3.094625|2.992620|2.478241|3.497346|5.989679|4.062152|5.055992|7.625340|8.465440|14.245319|15.086270|53.358707| |1.792288|3.550726|2.301492|2.361392|2.786651|3.365436|3.196209|2.602958|3.730442|6.008437|3.772372|4.267097|6.218069|8.616669|7.561806|9.342699|17.708068|36.858105| |1.652258|3.260245|2.074856|2.095245|2.403112|2.841677|2.790180|2.343177|3.288463|4.996377|3.154291|3.443019|4.613395|6.614668|5.362947|7.447755|10.577496|12.470709|36.858105| |1.466401|2.857342|1.791484|1.813765|2.049153|2.351963|2.303031|1.986981|2.635640|3.998796|2.657354|2.954830|3.740735|5.005390|4.628111|7.016235|8.983319|7.546097|12.446840|36.858105| |1.431733|2.790888|1.742867|1.758180|1.975453|2.261101|2.228070|1.933257|2.551860|4.004947|2.766337|3.205910|4.019313|4.990337|5.482646|8.818431|10.563409|6.528339|7.564492|12.517302|36.858105| |1.439987|2.822967|1.755201|1.748564|1.946807|2.240533|2.254199|1.965423|2.631387|4.153722|2.885583|3.349751|4.163031|5.141037|5.567220|9.175288|9.546026|5.730849|6.795203|8.887109|17.489331|0.500000| |1.526438|2.980043|1.880462|1.917157|2.186196|2.517359|2.434812|2.082907|2.761158|4.501487|3.167996|3.847146|4.977336|5.748947|7.896564|12.443450|17.736019|7.808550|6.554418|7.587129|12.449758|0.247187|36.858105| |1.300391|2.509143|1.551433|1.570126|1.746481|1.958197|1.921647|1.696758|2.151054|3.308639|2.329087|2.663645|3.164458|3.951657|4.094932|7.069627|7.046243|4.574508|5.118880|8.069481|13.604540|0.257598|7.924714|73.516695| |2.036268|4.110897|2.604743|2.554440|2.825617|3.295640|3.406792|2.968860|3.815246|7.173845|7.558352|12.767583|7.194448|7.033645|5.988541|12.286882|5.753540|3.461713|2.891045|2.620662|2.935309|0.085192|3.533091|4.497224|36.858105| |2.206845|4.456988|2.787976|2.705423|2.905209|3.279357|3.431370|3.123800|3.629254|6.328455|6.847671|7.797941|4.985513|5.650820|4.130325|7.952057|4.383727|2.809179|2.406035|2.189031|2.385327|0.068668|2.775515|3.746708|12.576339|53.358707| |2.348940|4.721142|2.996137|2.972664|3.230185|3.598890|3.641659|3.293361|3.676642|6.314804|6.607143|7.118749|4.819959|5.604526|3.973028|7.408361|4.308448|2.813121|2.372819|2.148759|2.312044|0.065487|2.715112|3.641962|9.309493|25.686391|0.500000| |2.439953|5.063806|3.130314|2.899139|3.015454|3.433834|3.842790|3.623051|4.127365|6.922990|7.784672|6.848854|4.579097|5.660372|3.626667|6.631472|3.971770|2.640148|2.320525|2.080872|2.220683|0.064690|2.498013|3.477088|7.642412|17.224885|0.258439|36.858105| |2.880368|6.254176|4.049809|3.637925|3.823193|4.594006|5.534008|5.043068|5.989591|10.151885|12.747048|7.538914|5.216560|7.094055|3.794824|6.470594|4.218074|2.913355|2.533194|2.201642|2.288613|0.066242|2.564781|3.530284|6.253317|10.332786|0.203148|12.463198|36.858105| |1.957135|3.858439|2.346692|2.289425|2.410139|2.626498|2.715054|2.551039|2.827336|4.640154|4.462577|5.011030|3.724732|4.313619|3.376816|6.758169|3.730081|2.387650|2.093984|1.958812|2.155918|0.062034|2.476065|3.473282|7.588802|17.170602|0.258559|7.615412|4.952107|36.858105| |1.769278|3.429640|2.091937|2.090097|2.231314|2.404938|2.407907|2.236972|2.488724|4.061288|3.689887|4.345477|3.477783|3.958658|3.371918|6.994967|3.777187|2.377883|2.071058|1.976572|2.207216|0.062625|2.582123|3.610179|6.430717|10.183970|0.192065|4.907435|3.774022|12.431918|36.858105| |1.646539|3.145987|1.882359|1.876685|1.964705|2.071832|2.079695|1.978725|2.120016|3.332276|2.926667|3.259019|2.725293|3.226630|2.660452|5.375515|3.099009|1.997906|1.778354|1.714926|1.896650|0.053768|2.163314|3.159876|4.307983|6.899291|0.134394|3.921165|3.091056|8.004252|12.450526|36.858105| |1.792751|3.414547|2.022555|2.005270|2.062415|2.143250|2.164835|2.101505|2.161442|3.332601|2.943770|3.116161|2.575734|3.135445|2.427194|4.732998|2.849426|1.880510|1.678105|1.597835|1.734444|0.049150|1.957385|2.874495|3.925600|6.921646|0.140420|4.200889|3.282085|7.732077|7.879537|12.395885|36.858105| |2.028717|3.945539|2.351645|2.290977|2.349178|2.479074|2.557548|2.486859|2.565547|4.007167|3.703165|3.821477|2.998488|3.653233|2.709808|5.221144|3.114334|2.058275|1.826546|1.709933|1.847100|0.052751|2.085797|3.010659|4.898732|10.197314|0.198160|6.248519|4.395807|12.324288|7.797203|7.746978|12.291084|36.858105| |17.661664|16.983100|5.888204|4.896124|3.613811|3.181356|3.414811|4.425695|2.802381|3.318157|2.392617|2.062261|1.949975|2.888599|1.696559|2.854449|2.180541|1.656281|1.542544|1.378166|1.348718|0.037823|1.428337|2.187187|1.899142|2.806945|0.060269|2.296168|2.656858|1.853804|1.672250|1.571449|1.715222|1.933765|0.500000| |17.568524|16.419646|6.983011|6.691119|4.542782|3.706231|3.755774|4.719883|2.945816|3.567654|2.604512|2.248218|2.108956|3.100210|1.826687|3.072569|2.336051|1.768659|1.616451|1.442881|1.417710|0.039490|1.523164|2.295892|2.075074|3.101859|0.068254|2.489264|2.898000|2.032719|1.843793|1.723170|1.894445|2.136563|0.300014|0.500000| |17.577791|16.432118|7.088762|6.719780|4.582061|3.753892|3.816677|4.806479|2.994824|3.493290|2.449942|2.120919|2.047544|3.076618|1.781595|2.959264|2.316030|1.788717|1.654865|1.466814|1.420079|0.039494|1.508794|2.296170|1.921308|2.785412|0.060460|2.226635|2.618165|1.817820|1.664304|1.546371|1.665239|1.863990|0.299905|0.298680|0.500000| |7.404120|12.466791|8.877254|17.766639|8.925905|5.642037|4.939978|5.627218|3.547006|4.241426|2.971380|2.565975|2.475978|3.724210|2.123684|3.492075|2.744878|2.124958|1.900771|1.668914|1.619753|0.044594|1.760734|2.598528|2.291820|3.321010|0.074482|2.579163|3.106133|2.115184|1.953760|1.779881|1.910932|2.148436|0.145115|0.224243|0.220368|0.500000| |3.902976|7.461157|5.662924|8.940943|17.718821|8.956644|5.653775|4.974647|4.096001|5.142008|3.463735|3.076149|3.095378|4.717180|2.642633|4.225530|3.458652|2.741549|2.348731|2.024741|1.947718|0.052725|2.168330|3.085084|2.657664|3.685020|0.084162|2.723546|3.308849|2.287265|2.166325|1.916090|1.998796|2.232879|0.088871|0.112402|0.112956|0.217029|0.500000| |3.127102|6.513448|4.933186|5.622589|8.928656|17.718703|8.862353|5.642741|6.973462|9.027404|5.224816|4.499916|4.886083|8.381330|3.818572|5.717167|4.933201|4.048056|3.270936|2.655473|2.534514|0.068909|2.872020|3.854186|3.479572|4.508821|0.100842|3.332672|4.307404|2.645837|2.473151|2.102977|2.134376|2.441354|0.074992|0.085964|0.086986|0.124218|0.215517|0.500000| |4.896176|13.605528|8.968899|5.664992|4.974992|5.626129|8.879432|17.716678|7.001169|6.737616|4.507549|3.418839|3.204058|5.132812|2.563112|4.167656|3.198511|2.443343|2.245616|1.916890|1.872814|0.053450|1.992774|2.929235|2.870219|4.130546|0.086548|3.647407|5.003604|2.508268|2.171172|1.936302|2.060574|2.451471|0.122225|0.119306|0.121599|0.124277|0.107902|0.123616|0.500000| |3.106452|7.124121|4.782286|3.983068|4.194468|5.573125|8.863532|7.362797|17.595891|12.477736|6.728720|4.751465|4.656508|8.313060|3.460093|5.411221|4.229093|3.237326|2.968971|2.434539|2.377830|0.069148|2.523350|3.600223|3.602818|4.778784|0.096183|4.209138|6.051136|2.782589|2.404969|2.075332|2.130689|2.547958|0.079408|0.080503|0.081712|0.090634|0.096265|0.140119|0.225082|0.500000| |2.844451|6.215504|4.326184|3.981882|4.601319|6.668490|8.843381|5.965007|17.646731|12.770543|5.738245|4.577250|5.172884|10.754153|3.876841|5.726068|4.991017|4.136876|3.728777|2.885547|2.709229|0.077264|2.876793|4.020438|3.383741|4.255499|0.087641|3.422011|4.544652|2.510633|2.265994|1.944381|1.958353|2.274225|0.071544|0.074251|0.077933|0.090730|0.108023|0.187244|0.154175|0.302972|0.500000| |1.988062|3.990436|2.634732|2.700882|3.253383|4.101773|3.877366|3.037822|4.647349|7.545826|4.400640|4.771260|7.236106|11.785420|7.149280|8.742062|12.371060|17.763419|8.825031|5.504194|4.886839|0.127964|5.659224|6.515821|3.647114|4.079124|0.084101|2.869661|3.289385|2.483443|2.421532|2.027507|1.936833|2.152192|0.050645|0.054248|0.055127|0.066378|0.087567|0.141980|0.078208|0.107342|0.147742|0.500000| |1.743846|3.411317|2.208989|2.311029|2.747985|3.231371|2.965911|2.442312|3.297006|5.151527|3.320900|3.714767|5.016043|6.846238|5.995200|8.106682|12.542178|17.528073|8.842800|6.828484|5.804168|0.133687|7.170904|7.893290|3.132785|3.544617|0.073649|2.418873|2.647906|2.247301|2.277008|1.929727|1.816736|1.962248|0.044651|0.048064|0.048644|0.058406|0.076956|0.108852|0.063073|0.079541|0.100292|0.302842|0.500000| |1.681376|3.347903|2.121634|2.104016|2.383370|2.846544|2.890131|2.435234|3.536457|5.379164|3.357688|3.626241|4.856569|7.124797|5.392874|7.544583|9.462926|8.898350|17.525879|8.808131|6.723162|0.197129|5.688861|8.226334|3.002399|3.388427|0.067218|2.446034|2.679074|2.155192|2.096800|1.799694|1.702986|1.871515|0.043788|0.045453|0.046537|0.052716|0.063635|0.089271|0.065769|0.090379|0.112235|0.215816|0.174038|0.500000| |1.664931|3.272009|2.082768|2.113705|2.425932|2.845952|2.770290|2.335684|3.206233|4.646418|2.892400|3.048966|3.931894|5.903218|4.265784|6.121508|7.663736|8.883159|17.550687|8.819888|5.510845|0.139099|4.920055|7.517790|2.569886|2.992669|0.060796|2.145854|2.369008|1.920970|1.893013|1.643923|1.567435|1.702760|0.043129|0.045026|0.046722|0.053405|0.066165|0.090822|0.061948|0.080214|0.103416|0.212435|0.214781|0.302802|0.500000| |1.394228|2.710228|1.683581|1.692028|1.887006|2.147282|2.129460|1.863916|2.435774|3.614009|2.409151|2.629415|3.224027|4.385206|3.811489|5.980172|6.725094|5.490977|8.780466|17.573854|8.889297|0.216682|5.524918|12.839405|2.356969|2.723612|0.054294|1.927881|2.032680|1.808295|1.813761|1.592830|1.489989|1.591531|0.036597|0.037963|0.038782|0.043410|0.051601|0.066227|0.050414|0.063556|0.074235|0.123173|0.139341|0.214005|0.208745|0.500000| |1.428914|2.761565|1.731445|1.773649|2.011461|2.277340|2.188805|1.895323|2.442647|3.665389|2.452308|2.711171|3.364020|4.504347|4.102327|6.333426|7.804805|6.742227|8.820608|17.525040|8.961027|0.174966|6.833237|13.413871|2.435356|2.807312|0.056880|1.946153|2.056977|1.858581|1.895718|1.654636|1.543144|1.637097|0.037237|0.039187|0.039879|0.045643|0.055931|0.071728|0.050420|0.062304|0.073939|0.139051|0.199287|0.173129|0.215305|0.303243|0.500000| |1.495012|2.893814|1.827263|1.887900|2.164661|2.456476|2.325694|1.995938|2.568323|4.097843|2.878995|3.415091|4.276344|5.110509|6.111856|9.811770|12.429837|7.120734|5.824014|6.890452|8.887679|0.174488|17.541835|12.960753|3.172064|3.496327|0.071112|2.302415|2.372946|2.313029|2.444955|2.070740|1.880421|1.980577|0.038769|0.041584|0.041253|0.048505|0.060545|0.078341|0.052616|0.064777|0.074439|0.145265|0.217799|0.133060|0.130817|0.140676|0.203465|0.500000| |1.485584|2.895282|1.814832|1.842563|2.080128|2.373765|2.314467|2.003796|2.608703|4.295026|3.145449|3.925630|4.799830|5.297890|7.721678|15.015863|12.466083|5.671000|4.899222|5.515227|8.791982|0.214670|17.692154|12.485451|3.813293|4.001153|0.078870|2.589517|2.582701|2.671316|2.842849|2.361753|2.093509|2.213256|0.038742|0.041358|0.040553|0.047169|0.057189|0.074096|0.053538|0.067072|0.073871|0.127150|0.146319|0.127111|0.108033|0.123677|0.140337|0.301733|0.500000| |1.267786|2.444614|1.504870|1.517680|1.677845|1.874283|1.849813|1.644238|2.067771|3.199461|2.293652|2.647027|3.074863|3.768297|3.990199|7.244583|6.452943|4.000193|4.290719|5.965991|9.797531|0.235538|7.094116|35.747954|2.574107|2.910448|0.057296|1.972136|1.971941|2.007257|2.102360|1.844122|1.660908|1.730271|0.033404|0.035051|0.034843|0.039310|0.046208|0.057198|0.044530|0.054488|0.059670|0.091913|0.106702|0.112568|0.099667|0.154026|0.153374|0.175022|0.202823|0.500000| |1.879374|3.777887|2.351256|2.278679|2.478172|2.860456|3.009409|2.678464|3.434064|6.195372|6.053959|8.833552|6.101647|6.190560|5.567223|12.221838|5.467946|3.250098|2.815716|2.601316|2.971145|0.088431|3.483655|4.582350|17.628455|12.329297|0.181953|6.769520|5.286120|7.196663|6.093935|4.272807|3.774892|4.602951|0.049220|0.052857|0.049319|0.057230|0.064801|0.083186|0.073475|0.092974|0.086217|0.093018|0.080946|0.082575|0.069031|0.065769|0.066386|0.085195|0.106893|0.073960|0.500000| |1.923871|3.822232|2.421894|2.431643|2.720468|3.115234|3.094569|2.694929|3.362957|6.093969|5.766970|8.900476|6.488908|6.316418|6.197706|13.689283|6.014346|3.522922|2.885382|2.668201|3.033400|0.086069|3.791436|4.700288|17.725269|12.294735|0.229311|5.606299|4.859551|6.915300|7.275958|4.593529|3.977163|4.620229|0.049731|0.054825|0.050814|0.061320|0.072730|0.093167|0.071407|0.086716|0.085048|0.100508|0.090826|0.081163|0.071042|0.065931|0.069871|0.096182|0.116424|0.075031|0.303244|0.500000| |2.226662|4.599925|2.801866|2.577188|2.673331|3.056418|3.457425|3.267272|3.889383|6.485587|6.816541|6.414115|4.477134|5.488998|3.637920|6.766324|3.975998|2.614395|2.344352|2.115781|2.278887|0.067512|2.524777|3.565075|7.246883|12.451757|0.182370|17.618919|8.784500|6.834567|4.570791|3.729238|3.838631|5.372565|0.058895|0.062317|0.056881|0.064067|0.067440|0.083331|0.093675|0.113647|0.091728|0.078031|0.065741|0.069681|0.059784|0.054852|0.054399|0.063730|0.073244|0.056526|0.209663|0.145278|0.500000| |2.497878|5.125877|3.082045|2.838674|2.866751|3.144062|3.489159|3.448442|3.574504|5.592048|5.625609|4.988835|3.661807|4.654334|3.026285|5.545657|3.424343|2.310628|2.056111|1.863258|1.975762|0.057223|2.200047|3.139412|5.592139|12.315652|0.216581|17.679189|8.816613|7.325340|4.674122|4.008414|4.634246|7.438903|0.065905|0.071571|0.062503|0.071254|0.072207|0.083190|0.097305|0.102439|0.083416|0.069278|0.059664|0.059800|0.053398|0.048295|0.048807|0.057043|0.063292|0.049513|0.142961|0.126180|0.301368|0.500000| |3.284602|7.188430|4.775117|4.323334|4.483463|5.206567|6.070523|5.725992|5.646500|8.688591|8.897272|6.026197|4.527350|6.295010|3.411504|5.785263|3.901006|2.748044|2.374122|2.070049|2.129205|0.060713|2.394503|3.316030|5.225260|8.960814|0.202970|8.787850|17.548906|4.570550|3.607441|3.013791|3.292446|4.360634|0.082508|0.093665|0.081718|0.101293|0.105909|0.129619|0.148891|0.151266|0.119764|0.086402|0.070898|0.068541|0.062516|0.053035|0.054447|0.062691|0.066573|0.051247|0.120770|0.122085|0.173005|0.218095|0.500000| |2.996259|6.669676|4.188074|3.564381|3.601092|4.277740|5.526094|5.432337|6.186395|9.097268|8.857881|5.752332|4.450096|6.378480|3.349573|5.680086|3.836542|2.702072|2.419765|2.100992|2.160757|0.063053|2.361792|3.345614|4.861316|7.584132|0.145629|8.948122|17.573135|4.121312|3.207548|2.733143|2.914682|3.803913|0.077921|0.081916|0.074980|0.084489|0.085513|0.108552|0.163393|0.196953|0.129069|0.084629|0.067957|0.072032|0.063461|0.054575|0.054295|0.060603|0.065648|0.051852|0.123524|0.108565|0.219321|0.208253|0.304142|0.500000| |1.850798|3.657826|2.202779|2.120819|2.216939|2.431202|2.558334|2.418566|2.728006|4.447257|4.207040|4.716403|3.581510|4.162500|3.292551|6.672445|3.645548|2.322701|2.074299|1.951996|2.163513|0.063161|2.443827|3.491869|6.935495|12.507281|0.182758|7.178020|4.620548|17.597688|8.839612|6.864791|6.293600|8.740069|0.049115|0.052858|0.047828|0.054406|0.058179|0.067971|0.067197|0.076014|0.067789|0.066666|0.060126|0.059986|0.052654|0.050444|0.051020|0.062634|0.073709|0.056445|0.216165|0.166584|0.211530|0.188662|0.113516|0.112065|0.500000| |1.663641|3.229304|1.974290|1.971758|2.121722|2.312508|2.316678|2.129070|2.443764|4.030353|3.596797|4.428730|3.649230|4.048306|3.708657|8.109962|4.110157|2.517645|2.196464|2.122599|2.421698|0.069019|2.859784|3.969467|6.701299|8.729884|0.158321|4.413920|3.505762|8.659473|17.609834|8.680570|5.620440|5.592830|0.043733|0.047766|0.043776|0.051077|0.057349|0.066936|0.057561|0.065505|0.062629|0.070076|0.066649|0.061792|0.055130|0.053942|0.056298|0.074398|0.089782|0.064933|0.191232|0.224297|0.120214|0.112393|0.090969|0.083927|0.217174|0.500000| |1.837850|3.546906|2.186221|2.223059|2.402898|2.571264|2.514435|2.314466|2.549989|4.164950|3.746668|4.405082|3.576232|4.079023|3.456896|7.013663|3.900141|2.472497|2.116294|2.009988|2.225964|0.062218|2.645739|3.634366|6.174223|9.606494|0.210797|4.603113|3.767651|8.805914|17.500024|8.828535|6.888442|6.748525|0.047850|0.053585|0.048169|0.057846|0.065522|0.074008|0.061420|0.067263|0.064531|0.070206|0.066641|0.058799|0.053953|0.050843|0.054050|0.070716|0.080094|0.058292|0.148321|0.210459|0.114034|0.121476|0.103606|0.087503|0.174089|0.301183|0.500000| |1.555824|2.976519|1.768546|1.746868|1.819223|1.927136|1.956737|1.869938|2.020228|3.159099|2.751583|3.057703|2.584785|3.070224|2.546944|5.183455|2.979608|1.916811|1.729789|1.679101|1.866715|0.053402|2.100514|3.125741|4.000527|6.166570|0.114991|3.696524|2.899210|6.960863|8.845765|17.546995|8.769872|6.477034|0.041512|0.044911|0.040626|0.045990|0.049075|0.054267|0.051356|0.055518|0.051724|0.053760|0.051120|0.048949|0.044334|0.043609|0.044781|0.055416|0.064036|0.051010|0.116351|0.115022|0.102048|0.104691|0.077026|0.072700|0.196130|0.215993|0.173906|0.500000| |1.556212|2.945190|1.761762|1.775648|1.865013|1.949178|1.930826|1.834286|1.954471|3.045409|2.613110|2.910452|2.510551|2.988501|2.500129|5.035385|2.965208|1.918234|1.708497|1.662739|1.838862|0.051649|2.101194|3.097745|3.707292|5.626813|0.113839|3.275373|2.706575|5.682793|8.726076|17.606321|8.671769|5.625609|0.041230|0.045345|0.040846|0.047133|0.051089|0.055266|0.049585|0.052804|0.050291|0.053667|0.052045|0.047617|0.043997|0.042880|0.044928|0.056560|0.063801|0.050270|0.101093|0.113329|0.086495|0.092261|0.074276|0.066957|0.138904|0.199608|0.216143|0.303085|0.500000| |1.704765|3.225997|1.884608|1.855511|1.885745|1.947889|1.982166|1.949071|1.980388|3.002427|2.607007|2.716349|2.287136|2.823522|2.165234|4.195544|2.574967|1.713165|1.548502|1.480775|1.601672|0.045525|1.782838|2.671580|3.314874|5.631214|0.112168|3.672707|2.921408|5.839675|5.695754|8.700553|17.610691|8.679135|0.045727|0.049938|0.043944|0.049417|0.050709|0.053575|0.053588|0.054785|0.050095|0.048910|0.045969|0.043777|0.040341|0.038628|0.039721|0.047586|0.052814|0.042937|0.090888|0.091821|0.096036|0.114461|0.081103|0.074103|0.148276|0.125670|0.138743|0.220295|0.193323|0.500000| |1.828994|3.447642|2.045718|2.057449|2.116983|2.166798|2.153275|2.092871|2.110918|3.225796|2.809024|2.946820|2.474670|3.040236|2.333198|4.489174|2.770016|1.845721|1.638492|1.558690|1.679794|0.047174|1.902884|2.790715|3.592533|6.196759|0.134286|3.779789|3.108434|6.051856|6.565549|8.802108|17.583099|8.770321|0.048390|0.054230|0.047263|0.054938|0.057557|0.059896|0.056387|0.057254|0.053255|0.052896|0.050017|0.045837|0.042745|0.040286|0.042115|0.051341|0.056135|0.044575|0.093230|0.103414|0.093865|0.115058|0.089258|0.076407|0.135204|0.134908|0.186189|0.174802|0.220637|0.303875|0.500000| |2.250295|4.377444|2.623827|2.572668|2.625760|2.736194|2.799073|2.739381|2.728888|4.220901|3.906605|3.885280|3.046980|3.778067|2.695550|5.067464|3.116403|2.090038|1.839580|1.705632|1.820871|0.051636|2.062670|2.955498|4.711931|10.005465|0.225810|6.374213|4.794815|8.736419|6.315949|5.897021|8.731423|17.529861|0.059073|0.066675|0.057002|0.067033|0.069156|0.073964|0.074031|0.074580|0.066475|0.061377|0.055629|0.052121|0.047954|0.043976|0.045553|0.054811|0.060037|0.046812|0.116693|0.123943|0.140638|0.218803|0.141018|0.112738|0.175918|0.131381|0.175102|0.135571|0.132412|0.183958|0.230032|0.500000| |2.025241|3.948230|2.313277|2.211994|2.230046|2.350846|2.475051|2.454066|2.497366|3.824268|3.493144|3.493390|2.777352|3.448770|2.498719|4.769510|2.898399|1.933128|1.740498|1.628521|1.750621|0.050356|1.945437|2.857556|4.286101|8.420060|0.156222|6.143233|4.278984|8.711635|5.733368|5.987872|8.668532|17.602309|0.054226|0.058896|0.051367|0.057672|0.058366|0.063601|0.068459|0.070314|0.061418|0.056243|0.050928|0.049927|0.045231|0.042433|0.043143|0.051097|0.057071|0.045628|0.116703|0.108664|0.154895|0.222623|0.115801|0.107709|0.223955|0.127048|0.137328|0.157457|0.127102|0.224284|0.180276|0.303631|0.500000|
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