Version2.2
2021-02-09T21:50:10Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
05-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE C[C@@H](C(=O)Nc1ccccc1OC(F)F)Sc2nnc(n2CCC(=O)N)C3CC3 C28910175
RHF
6-31G(d)
(6D,7F)
C[C@@H](C(=O)Nc1ccccc1OC(F)F)Sc2nnc(n2CCC(=O)N)C3CC3
C01[X(C18H21F2N5O3S1)]
144
C1
481
NC(=O)CCn1c(nnc1C1CC1)S[C@H](C(=O)Nc1ccccc1OC(F)F)C
NC(=O)CCn1c(nnc1C1CC1)S[C@H](C(=O)Nc1ccccc1OC(F)F)C
C[C@H](Sc1nnc(C2CC2)n1CCC(N)=O)C(=O)Nc3ccccc3OC(F)F
InChIKey=ONUDHUJAUHQQBZ-JTQLQIEISA-N
InChI=1S/C18H21F2N5O3S/c1-10(16(27)22-12-4-2-3-5-13(12)28-17(19)20)29-18-24-23-15(11-6-7-11)25(18)9-8-14(21)26/h2-5,10-11,17H,6-9H2,1H3,(H2,21,26)(H,22,27)/t10-/m0/s1
InChI=1/C18H21F2N5O3S/c1-10(16(27)22-12-4-2-3-5-13(12)28-17(19)20)29-18-24-23-15(11-6-7-11)25(18)9-8-14(21)26/h2-5,10-11,17H,6-9H2,1H3,(H2,21,26)(H,22,27)/t10-/m0/s1/f/h22H,21H2
C[C@@H](C(=O)Nc1ccccc1OC(F)F)Sc2nnc(n2CCC(=O)N)C3CC3
C01[X(C18H21F2N5O3S1)]
144
C01
481
NC(=O)CCn1c(nnc1C1CC1)S[C@H](C(=O)Nc1ccccc1OC(F)F)C
NC(=O)CCN1[C]([N][N]=C1C1CC1)S[C@H](C(=O)N[C]1[CH][CH][CH][CH][C]1OC(F)F)C
C[C@H](S[C]1[N]N=C(C2CC2)N1CCC(N)=O)C(=O)N[C]3[CH][CH][CH][CH][C]3OC(F)F
InChIKey=ONUDHUJAUHQQBZ-JTQLQIEISA-N
InChI=1S/C18H21F2N5O3S/c1-10(16(27)22-12-4-2-3-5-13(12)28-17(19)20)29-18-24-23-15(11-6-7-11)25(18)9-8-14(21)26/h2-5,10-11,17H,6-9H2,1H3,(H2,21,26)(H,22,27)/t10-/m0/s1
InChI=1/C18H21F2N5O3S/c1-10(16(27)22-12-4-2-3-5-13(12)28-17(19)20)29-18-24-23-15(11-6-7-11)25(18)9-8-14(21)26/h2-5,10-11,17H,6-9H2,1H3,(H2,21,26)(H,22,27)/t10-/m0/s1/f/h22H,21H2
3121.8301560859
-1787.0834942
1-A
12684.8015
111
370
481
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11.73209
-2.3372 -0.7221 2.1817
3.2778
|XX|YY|ZZ|XY|XZ|YZ|
-182.1909 -176.4910 -160.0712 3.9278 0.3934 -0.2280
|XX|YY|ZZ|XY|XZ|YZ|
-9.2732 -3.5733 12.8465 3.9278 0.3934 -0.2280
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
125.1126 -55.1694 100.5887 -33.5314 -85.4995 19.1494 -32.0901 49.1655 2.6711 -21.1931
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144
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7.9061 16.8701 21.7021 31.1542 35.4842 42.9313 51.4102 57.2802 76.0985 91.7985 98.8893 103.4503 110.6936 118.0737 123.7881 140.1680 158.5283 196.4483 197.9616 210.8046 229.5347 241.1945 245.6184 261.1398 272.2659 300.6840 334.3676 339.5893 356.7876 370.9610 409.2954 456.5379 459.9827 492.8233 511.5150 538.5335 552.4770 561.3549 577.8996 600.4454 611.0236 628.8028 644.5693 653.0596 690.7649 697.9345 706.6522 761.0879 777.6328 781.5578 790.6467 812.7362 829.1754 847.5994 851.7612 867.1463 869.6550 872.9979 900.4863 908.8121 912.1789 961.3844 989.2076 997.6870 1017.2163 1035.9623 1078.9431 1086.9317 1094.3259 1120.5869 1139.9242 1146.8123 1174.8521 1186.3353 1189.7213 1198.0447 1198.6476 1208.0181 1213.6908 1220.5881 1224.5530 1236.5302 1239.5036 1248.8728 1250.2378 1285.9515 1307.9709 1311.2300 1315.1978 1320.1950 1320.3523 1344.8904 1354.8361 1390.5880 1393.9591 1413.8971 1433.3879 1439.5916 1494.5261 1511.8831 1523.7871 1540.7387 1549.1236 1569.2842 1583.1485 1584.0372 1599.1237 1612.3543 1619.7997 1627.1571 1633.4597 1638.2181 1650.1425 1662.5466 1667.6292 1693.9542 1738.1119 1773.3839 1798.4269 1808.1847 1812.6354 1961.2547 1968.6395 3221.3134 3230.8505 3265.0293 3288.5535 3299.2850 3311.2164 3317.9999 3325.4183 3328.6852 3337.4761 3356.0813 3367.1102 3386.6359 3401.2882 3415.9786 3422.6725 3449.9295 3469.7549 3815.3393 3838.3161 3968.5110
7.6891 7.8720 7.4681 5.5791 4.9997 4.4517 4.5660 9.8755 5.7377 4.8337 2.5234 7.2204 4.8763 6.3749 5.3425 6.2492 7.0278 1.7145 2.2812 4.1848 2.8721 5.5438 3.8580 1.2748 5.7644 4.2728 3.8231 4.8302 5.6326 5.4196 4.9841 5.7429 5.3668 3.1283 4.0847 6.2204 1.4373 6.7914 6.2054 4.0833 6.8889 5.6763 3.4823 6.8226 1.9217 4.2325 2.9587 1.3552 4.9747 3.9460 5.2271 4.3981 2.8886 3.2577 1.8179 2.5873 1.7338 1.3423 3.6802 1.4498 5.1895 2.7505 3.3872 1.4719 3.7701 3.4369 1.3645 4.4075 1.9854 1.3078 3.3913 2.2716 2.1417 2.9400 2.8813 1.9131 1.4032 1.8361 2.0915 2.8804 1.2712 2.6958 2.6296 1.2905 3.8103 2.6883 1.8097 2.4682 2.2958 1.5563 1.4223 2.2579 3.0784 1.6327 1.4034 2.0183 1.3885 1.8922 2.1278 1.6654 1.6399 3.2730 1.2480 1.2450 1.5492 1.7413 2.1486 1.0916 1.1214 2.2346 1.0438 1.0502 1.1232 2.3245 1.5613 6.6666 2.3588 10.9204 1.2411 5.6700 3.5666 8.2464 9.5124 1.0649 1.0359 1.1005 1.0675 1.1041 1.0965 1.0538 1.0950 1.0664 1.0836 1.1026 1.0888 1.0953 1.1201 1.0953 1.1166 1.0939 1.0933 1.0797 1.0469 1.1062
0.0003 0.0013 0.0021 0.0032 0.0037 0.0048 0.0071 0.0191 0.0196 0.0240 0.0145 0.0455 0.0352 0.0524 0.0482 0.0723 0.1041 0.0390 0.0527 0.1096 0.0892 0.1900 0.1371 0.0512 0.2518 0.2276 0.2518 0.3282 0.4225 0.4394 0.4919 0.7052 0.6690 0.4477 0.6297 1.0629 0.2585 1.2609 1.2210 0.8674 1.5154 1.3224 0.8524 1.7144 0.5403 1.2147 0.8705 0.4625 1.7724 1.4202 1.9252 1.7116 1.1701 1.3789 0.7770 1.1462 0.7726 0.6027 1.7582 0.7055 2.5441 1.4978 1.9528 0.8632 2.2984 2.1732 0.9359 3.0680 1.4008 0.9676 2.5964 1.7602 1.7417 2.4379 2.4028 1.6178 1.1878 1.5787 1.8152 2.5284 1.1231 2.4285 2.3803 1.1859 3.5091 2.6192 1.8241 2.5002 2.3397 1.5982 1.4609 2.4062 3.3293 1.8601 1.6067 2.3772 1.6809 2.3104 2.8001 2.2428 2.2434 4.5778 1.7646 1.8064 2.2876 2.5743 3.2371 1.6719 1.7335 3.4859 1.6409 1.6606 1.8020 3.7855 2.5582 11.2709 4.1985 20.2347 2.3650 10.9224 6.9043 18.6888 21.7206 6.5106 6.3710 6.9122 6.8017 7.0810 7.0833 6.8354 7.1345 6.9620 7.1112 7.3173 7.2732 7.4015 7.6350 7.5303 7.7068 7.6706 7.7550 9.2605 9.0875 10.2649
1.2149 0.3798 6.3940 1.1588 0.7370 1.4162 2.6885 0.7543 1.8079 0.4266 2.6364 2.0199 2.7178 3.0498 6.6781 3.1454 2.6985 121.1043 160.3263 4.9831 4.8093 1.0006 2.0350 1.0620 0.8898 1.9199 0.9333 8.2366 4.8620 3.7245 17.0147 1.4571 1.0879 4.8077 1.5412 2.5622 9.4714 2.5848 9.4290 4.2395 5.9327 7.8808 36.7711 7.3444 19.8105 4.6549 11.9177 66.6590 13.5255 36.5382 8.1338 14.9579 16.8210 13.5761 55.5134 12.5365 8.2695 4.5512 16.6067 8.1687 6.4539 3.1437 32.9712 4.1131 8.6519 3.8920 4.3369 8.6372 6.2311 1.4994 0.9542 6.9805 16.9968 3.5656 2.4502 5.1513 2.9609 29.5892 1.5552 17.5554 3.1775 63.0865 1.4761 34.7375 245.0359 124.7626 5.8232 67.7227 27.3516 19.4098 5.7931 14.4006 303.9166 107.1762 61.9693 181.1044 38.8869 100.0368 15.8699 47.9860 76.0408 65.0096 29.4138 2.8034 79.1352 182.0612 18.3314 1.1430 3.3902 51.6838 5.1230 10.1321 15.5081 55.0053 13.8780 126.7701 420.8425 88.5417 143.9001 10.8970 187.9864 288.3180 398.7283 6.7168 24.8847 8.2092 9.1781 20.0089 7.6392 16.4149 6.3347 14.2671 9.5863 7.6428 7.0988 29.7727 5.9495 5.6305 10.4396 19.7559 2.5917 149.9675 73.0128 63.8435
1.3045 1.4083 1.4374 1.0602 1.0623 0.7419 0.4952 1.0260 2.3669 0.8152 0.2343 0.8826 0.7313 1.1687 2.9560 0.9339 0.9912 0.2053 1.3371 0.3823 0.7737 2.1905 1.8153 0.6102 1.4910 0.7355 2.2713 0.4584 1.4422 2.4172 2.8177 0.9883 0.5514 0.9058 0.8568 4.2535 2.2508 5.8775 1.2297 2.4967 0.9041 2.6614 1.5392 4.3822 1.8999 6.4166 7.5735 4.5896 6.4020 2.9107 1.2511 2.6209 3.3946 5.9144 9.8608 2.6393 3.7612 0.6757 1.6981 6.3176 5.4088 13.2058 20.4859 2.7975 7.9805 18.0055 0.5138 2.3674 3.8110 0.5885 2.5336 19.0770 1.2550 2.2398 5.1890 8.5372 3.5123 2.7587 6.7232 11.9053 1.9541 1.4626 1.7487 2.7199 1.0884 1.9510 12.5404 2.9542 10.8399 5.5471 5.4363 4.2198 5.9234 0.3277 13.5785 17.3061 7.3076 22.6193 4.8824 1.9246 8.5464 8.2124 9.4732 1.5581 3.1841 13.7026 15.9323 9.6330 12.6794 2.0013 18.6946 14.0194 10.9052 8.1790 28.3136 10.8427 5.6995 70.4217 3.5134 72.4789 21.8149 19.0950 4.9710 55.6411 126.4510 40.6084 55.1852 94.7308 54.7196 61.8376 24.8527 54.5367 150.0971 37.7214 72.2388 169.3837 75.1798 112.0490 45.8330 72.3617 43.3008 65.1935 104.8139 51.3937
0.7191 0.7441 0.7498 0.7500 0.7493 0.6939 0.7186 0.7498 0.7215 0.7115 0.7142 0.7383 0.7033 0.6505 0.7058 0.6637 0.4758 0.7498 0.6498 0.5753 0.4660 0.4068 0.1587 0.1768 0.7429 0.7465 0.1941 0.7391 0.7461 0.6109 0.0501 0.2686 0.2895 0.4402 0.6658 0.7296 0.7220 0.1275 0.5180 0.6524 0.7421 0.7398 0.5337 0.6855 0.2305 0.2835 0.2601 0.3936 0.7445 0.2762 0.6182 0.1935 0.6250 0.0863 0.1314 0.1478 0.5658 0.7382 0.0799 0.6787 0.4336 0.1828 0.7383 0.7146 0.2882 0.7073 0.7476 0.6540 0.6570 0.6348 0.3119 0.1269 0.7325 0.7429 0.2416 0.3670 0.6253 0.5537 0.1804 0.7312 0.6527 0.7186 0.6194 0.5762 0.6571 0.3479 0.1678 0.3018 0.0839 0.3065 0.6448 0.2976 0.5769 0.6792 0.7354 0.1597 0.7447 0.2052 0.7109 0.4717 0.1717 0.7442 0.7392 0.7438 0.1093 0.2514 0.3283 0.7499 0.5395 0.5058 0.7449 0.7486 0.4802 0.2585 0.3610 0.2235 0.2757 0.2536 0.7470 0.5470 0.3802 0.1940 0.4754 0.0959 0.0283 0.6987 0.0793 0.7481 0.5737 0.2871 0.3741 0.2698 0.0984 0.3876 0.6880 0.2741 0.6904 0.1826 0.7005 0.2154 0.2062 0.1687 0.1635 0.7039
0.8366 0.8533 0.8570 0.8571 0.8567 0.8193 0.8363 0.8570 0.8382 0.8314 0.8333 0.8494 0.8258 0.7882 0.8276 0.7979 0.6448 0.8570 0.7878 0.7304 0.6358 0.5783 0.2739 0.3005 0.8525 0.8548 0.3251 0.8500 0.8546 0.7585 0.0955 0.4235 0.4490 0.6113 0.7994 0.8436 0.8386 0.2262 0.6825 0.7897 0.8519 0.8504 0.6960 0.8134 0.3746 0.4418 0.4128 0.5649 0.8535 0.4328 0.7640 0.3242 0.7692 0.1589 0.2323 0.2576 0.7227 0.8494 0.1479 0.8086 0.6049 0.3091 0.8495 0.8335 0.4475 0.8285 0.8556 0.7908 0.7930 0.7766 0.4755 0.2252 0.8456 0.8525 0.3892 0.5369 0.7694 0.7128 0.3057 0.8447 0.7898 0.8363 0.7650 0.7311 0.7931 0.5162 0.2873 0.4636 0.1548 0.4692 0.7841 0.4587 0.7317 0.8089 0.8475 0.2754 0.8537 0.3405 0.8310 0.6411 0.2932 0.8533 0.8501 0.8531 0.1970 0.4018 0.4943 0.8571 0.7009 0.6718 0.8538 0.8562 0.6488 0.4108 0.5305 0.3653 0.4323 0.4046 0.8552 0.7071 0.5509 0.3249 0.6444 0.1750 0.0551 0.8227 0.1470 0.8559 0.7291 0.4461 0.5445 0.4249 0.1792 0.5587 0.8151 0.4303 0.8168 0.3088 0.8239 0.3545 0.3419 0.2886 0.2811 0.8263
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
6 6 1 6 8 7 6 6 6 6 6 6 8 6 9 9 16 6 7 7 6 7 6 6 6 8 7 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 18.99840 18.99840 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 14.00307 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
9422.9545 16850.2007 19510.9753
0.99976 0.02182 0.00247 -0.02184 0.99974 0.00681 -0.00232 -0.00686 0.99997
1
0.00919 0.00514 0.00444
0.19153 0.10711 0.09250
11.38 24.27 31.22 44.82 51.05 61.77 73.97 82.41 109.49 132.08 142.28 148.84 159.26 169.88 178.10 201.67 228.09 282.65 284.82 303.30 330.25 347.03 353.39 375.72 391.73 432.62 481.08 488.59 513.34 533.73 588.88 656.86 661.81 709.06 735.96 774.83 794.89 807.66 831.47 863.91 879.13 904.71 927.39 939.61 993.86 1004.17 1016.71 1095.04 1118.84 1124.49 1137.56 1169.35 1193.00 1219.51 1225.49 1247.63 1251.24 1256.05 1295.60 1307.58 1312.42 1383.22 1423.25 1435.45 1463.55 1490.52 1552.36 1563.85 1574.49 1612.27 1640.10 1650.01 1690.35 1706.87 1711.74 1723.72 1724.59 1738.07 1746.23 1756.15 1761.86 1779.09 1783.37 1796.85 1798.81 1850.20 1881.88 1886.57 1892.28 1899.47 1899.69 1935.00 1949.31 2000.75 2005.60 2034.28 2062.33 2071.25 2150.29 2175.26 2192.39 2216.78 2228.84 2257.85 2277.80 2279.08 2300.78 2319.82 2330.53 2341.12 2350.18 2357.03 2374.19 2392.03 2399.35 2437.22 2500.76 2551.50 2587.54 2601.57 2607.98 2821.81 2832.43 4634.75 4648.47 4697.65 4731.50 4746.94 4764.10 4773.86 4784.54 4789.24 4801.88 4828.65 4844.52 4872.61 4893.70 4914.83 4924.46 4963.68 4992.20 5489.42 5522.48 5709.80
0.421348
0.448259
0.449204
0.358197
-1786.662146
-1786.635235
-1786.634291
-1786.725297
3.052356D-04
MUNgauss
RevisionA2.1
retrievium
09-Feb-2021
DUDE C[C@@H](C(=O)Nc1ccccc1OC(F)F)Sc2nnc(n2CCC(=O)N)C3CC3 C28910175
RHF
6-31G(d)
(6D,10F)
C1
425.133318
|X|Y|Z|
85.609079 58.071055 44.538112
60.497456
18
|36.858105|
|12.477730|36.858105|
|8.836799|17.651769|0.500000|
|7.559042|12.441005|0.244619|36.858105|
|6.872691|8.019363|0.165333|15.892113|73.516695|
|5.159593|7.854437|0.207880|14.064108|14.926947|53.358707|
|3.850673|5.026551|0.134563|7.692834|11.644590|18.459574|36.858105|
|3.521636|4.202814|0.108233|6.297005|11.742733|10.481374|13.693312|36.858105|
|2.805883|3.227752|0.085326|4.324604|8.015253|6.967649|7.920892|13.748096|36.858105|
|2.492275|2.897064|0.078966|3.676851|6.437548|6.175285|6.811206|7.901528|13.781408|36.858105|
|2.599006|3.126311|0.087548|3.899928|6.417614|7.057991|7.866244|6.861998|7.979821|13.759198|36.858105|
|3.135439|3.987302|0.112865|5.171386|7.923270|10.844454|13.665491|7.973271|6.947070|7.976217|13.822280|36.858105|
|3.106868|4.041187|0.121191|4.741491|6.914176|9.672260|8.016882|5.231511|4.617527|5.205513|7.939204|13.759179|73.516695|
|2.814703|3.620129|0.106968|4.020302|5.998008|7.382350|5.721252|4.186901|3.837118|4.339351|6.130444|8.061276|25.074337|36.858105|
|2.373572|2.916620|0.084572|3.248679|5.088466|5.637574|4.669855|3.749260|3.704645|4.470894|6.366526|6.664708|15.269150|14.249362|97.533100|
|2.988153|3.913650|0.110479|4.388928|6.570583|7.783935|5.818501|4.346527|3.869582|4.148498|5.362066|6.986288|15.283246|14.258370|20.064668|97.533100|
|6.959696|10.368442|0.222600|6.903114|9.829463|7.603951|4.095460|3.492387|2.822455|2.601181|2.820065|3.492371|6.466206|3.576248|6.526127|9.351802|388.023441|
|4.710327|6.864626|0.199478|5.413217|7.495544|7.405328|4.106855|3.306117|2.752837|2.658653|3.021037|3.811060|7.739220|4.562329|7.893431|12.002129|76.996460|36.858105|
|4.370892|6.391647|0.216822|5.330421|7.163974|8.151196|4.474103|3.438238|2.873616|2.838144|3.338429|4.341778|9.604221|5.536431|9.026085|13.190488|49.649693|14.852661|53.358707|
|3.340638|4.384498|0.140367|3.922652|5.645082|6.070897|3.724721|2.950983|2.578668|2.630385|3.131015|3.886088|8.937585|5.793631|9.669703|13.215176|35.098645|8.919897|18.966720|53.358707|
|3.107479|3.938658|0.118342|3.515661|5.235935|5.184278|3.261087|2.682489|2.370584|2.400829|2.785676|3.341854|7.191763|4.786804|8.580836|12.019142|35.198579|8.884401|12.101582|20.220979|36.858105|
|3.611829|4.656202|0.132577|3.991942|5.940592|5.556982|3.378085|2.816419|2.437168|2.399653|2.715792|3.280319|6.670433|4.214852|7.626623|11.303659|49.492637|14.041752|11.931919|11.931165|13.923550|53.358707|
|3.227846|3.869347|0.104636|3.400552|5.342598|4.552354|2.877717|2.509161|2.207285|2.155782|2.373236|2.766558|5.372165|3.364595|6.454695|9.080220|42.064113|7.523441|7.231944|7.234541|7.507421|17.803268|36.858105|
|2.957797|3.526033|0.092327|3.337489|5.403247|4.512722|2.968289|2.637327|2.344465|2.286564|2.489062|2.855667|5.369621|3.416661|6.732038|9.731376|36.316425|5.750228|5.976642|5.918807|5.591781|10.495373|12.473812|36.858105|
|2.547181|2.875103|0.075092|2.734624|4.588135|3.633754|2.448968|2.251497|2.042490|1.987291|2.116689|2.356946|4.348000|2.712194|5.552953|7.367533|27.864852|4.050099|4.473296|4.467580|4.032110|6.811625|7.586261|12.545808|36.858105|
|2.385542|2.632992|0.069741|2.450519|4.111330|3.241766|2.176582|2.005737|1.828523|1.784759|1.899841|2.104480|3.915848|2.422409|4.983955|6.363958|25.032854|3.657581|4.109480|4.166613|3.773143|6.194729|6.921607|7.996026|15.876917|73.516695|
|2.359981|2.628291|0.067893|2.590455|4.459770|3.442420|2.383095|2.243913|2.062796|1.998598|2.092769|2.287771|4.116714|2.548033|5.335660|6.928396|24.262091|3.388834|3.874161|3.824872|3.291631|5.310084|5.111816|7.859686|14.112525|15.123117|53.358707|
|2.514931|3.019610|0.089114|2.775798|4.293112|4.063816|2.686547|2.282590|2.078014|2.134024|2.450231|2.811993|5.927000|4.011774|7.809240|9.766643|26.010091|5.323938|7.228587|10.513444|12.872504|10.330977|6.181741|4.976038|3.915937|6.775852|4.353019|36.858105|
|2.299558|2.660181|0.079214|2.402426|3.766349|3.444022|2.281347|1.975468|1.811354|1.853098|2.096405|2.366194|4.905458|3.161132|6.331284|7.369751|22.258373|4.215628|5.787108|7.715861|7.376390|7.410078|4.861117|3.855200|3.307492|6.049973|3.721723|12.618194|36.858105|
|2.232541|2.628001|0.078971|2.447555|3.812943|3.630942|2.452471|2.095424|1.939401|2.023146|2.336686|2.629521|5.624420|3.775156|7.626860|8.478035|21.170586|4.072680|5.993887|8.665179|7.420605|6.764447|4.181490|3.590872|3.015399|5.292709|3.514286|12.730652|12.774883|36.858105|
|17.593703|8.840616|0.215273|5.504644|8.835423|5.743952|3.259587|2.966816|2.441393|2.217246|2.329827|2.771684|5.014084|2.610035|4.982829|6.189293|46.275353|4.617906|5.783242|4.513493|3.120627|4.938935|3.271178|2.895328|2.523338|4.286903|3.133344|2.543070|2.375900|2.262339|0.500000|
|17.615490|8.784487|0.173077|6.839799|12.905604|6.312633|3.639576|3.474719|2.784577|2.436099|2.488862|2.945128|5.065154|2.619923|5.055191|6.379643|46.319467|4.222546|5.148303|4.070671|2.864458|4.595843|3.150878|2.975903|2.612342|4.323113|3.346841|2.361816|2.153485|2.083225|0.299690|0.500000|
|17.579648|8.876951|0.210342|6.969526|11.849532|6.803488|3.852557|3.598587|2.873357|2.533474|2.615982|3.125219|5.428259|2.698719|5.176013|6.279252|36.536499|3.935497|5.264855|4.133897|2.775723|4.225384|2.768385|2.573942|2.242986|3.748116|2.864442|2.287308|2.108811|2.075421|0.300390|0.302739|0.500000|
|4.871944|7.660550|0.236707|9.461075|10.855086|25.953673|9.325955|5.728480|4.284217|4.074890|4.920223|7.631537|15.184973|6.447598|10.250848|14.590280|41.160266|6.512268|11.130425|7.722033|4.522801|6.377250|3.622546|3.470414|2.740163|4.377029|3.458654|3.410594|2.853730|3.048182|0.116501|0.117625|0.128776|0.500000|
|3.888387|4.450980|0.109865|6.896229|15.247501|9.522284|8.938038|17.837968|8.922584|5.641371|4.955660|5.668995|7.520878|3.531625|7.100146|8.422607|25.683017|3.226590|4.436808|3.756464|2.544758|3.718652|2.475079|2.594345|2.242099|3.560621|3.052807|2.165273|1.893417|1.974453|0.088772|0.109781|0.111454|0.143033|0.500000|
|2.600502|2.887091|0.075649|3.756825|7.269742|5.646534|5.650436|8.968760|17.718588|8.926251|5.662081|4.990488|6.512168|3.164931|6.976975|7.254222|18.145143|2.441479|3.414562|3.085905|2.114141|2.977355|2.018213|2.150507|1.910034|3.054383|2.652834|1.876645|1.654363|1.755167|0.063162|0.072888|0.074393|0.098037|0.216495|0.500000|
|2.190609|2.490830|0.068105|3.051942|5.407584|4.917307|4.920754|5.626624|8.898056|17.729090|8.922086|5.665061|7.475244|3.694684|8.955554|7.925475|16.179188|2.327762|3.359737|3.174382|2.153963|2.913532|1.949871|2.072838|1.831656|2.942206|2.525147|1.952708|1.712970|1.870492|0.054810|0.059808|0.061928|0.092387|0.124038|0.214265|0.500000|
|2.327031|2.766741|0.078678|3.291139|5.394993|5.751802|5.633301|4.950363|5.653261|8.872210|17.763782|8.995871|12.946761|6.221268|16.835835|11.417092|18.160690|2.804383|4.256516|4.150525|2.716874|3.516233|2.262160|2.362755|2.023756|3.251988|2.716808|2.445337|2.100482|2.381937|0.058967|0.061726|0.064876|0.117049|0.107639|0.124037|0.213455|0.500000|
|2.769202|3.541826|0.108143|3.702073|5.482580|6.481026|4.635495|3.514815|3.208640|3.537893|4.686902|5.868784|17.168588|17.795970|21.672696|21.704527|25.270542|4.815756|8.481757|10.086896|5.650645|6.205901|3.512239|3.411371|2.703859|4.367596|3.381587|4.711551|3.670682|4.596077|0.072841|0.070681|0.073442|0.164013|0.085310|0.075564|0.086059|0.134510|0.500000|
|3.523385|4.075819|0.107725|3.443359|5.482107|4.414194|2.751435|2.437124|2.128226|2.047509|2.220774|2.582667|4.922145|2.974384|5.739393|7.833731|46.969029|6.965094|6.601023|6.176819|5.753943|12.514205|17.628680|8.817509|6.843731|11.903682|6.541100|4.778040|4.132988|3.523654|0.101428|0.096714|0.082123|0.095823|0.068027|0.054528|0.051494|0.058351|0.085416|0.500000|
|2.794110|3.250030|0.089966|2.884381|4.584470|3.913797|2.529488|2.225346|1.992646|1.969074|2.167870|2.481860|4.859414|3.070300|6.032647|8.008164|32.217027|5.719143|6.166417|6.659502|7.107748|12.560305|17.681703|8.837144|6.997775|13.147768|6.414446|7.047086|5.847959|4.624984|0.079719|0.075453|0.067917|0.086760|0.060703|0.050889|0.050008|0.058238|0.090742|0.305304|0.500000|
|2.690347|3.235783|0.086603|3.158686|5.087699|4.451239|3.012084|2.651956|2.395984|2.386012|2.634738|2.996423|5.714181|3.796718|7.589528|11.106336|30.903771|5.251794|5.886361|6.177577|5.905458|9.602089|8.831823|17.529323|8.964783|11.360372|9.327102|5.577212|4.063164|3.969217|0.072628|0.074319|0.066370|0.096147|0.071003|0.060626|0.060274|0.070387|0.105217|0.173201|0.209885|0.500000|
|3.303414|4.009578|0.101122|3.898704|6.357172|5.167140|3.369973|3.005866|2.621788|2.508648|2.705257|3.142606|5.746824|3.572403|6.953017|10.472710|42.686596|6.068444|6.175035|5.717000|5.000464|9.448928|8.814504|17.562847|8.858153|10.702257|9.927733|4.204105|3.323404|3.187979|0.087527|0.093959|0.078998|0.107490|0.082912|0.066618|0.062472|0.069954|0.095973|0.211326|0.173319|0.304002|0.500000|
|2.428117|2.731021|0.069856|2.767228|4.806487|3.693789|2.591824|2.459172|2.262451|2.181468|2.269990|2.475306|4.382515|2.709723|5.693297|7.511446|24.851318|3.426089|3.945773|3.843820|3.237314|5.193248|4.702700|7.350940|9.236803|10.805901|26.107508|3.076807|2.591821|2.508432|0.064724|0.070681|0.060349|0.074767|0.068200|0.059356|0.056082|0.059703|0.071988|0.121903|0.116448|0.188323|0.217987|0.500000|
|2.153137|2.347698|0.060893|2.309398|4.018679|3.055898|2.130236|2.030160|1.884649|1.826551|1.896495|2.049030|3.673920|2.252578|4.773552|5.980474|21.085329|2.913571|3.394485|3.363761|2.855424|4.496120|4.216971|5.702309|9.418833|13.674945|26.052358|2.824825|2.489772|2.338752|0.058716|0.062544|0.053750|0.062465|0.056624|0.049929|0.047505|0.050468|0.061234|0.113728|0.112381|0.143042|0.148190|0.309582|0.500000|
|2.361546|2.806866|0.080663|2.639259|4.153021|3.842186|2.592315|2.235924|2.054588|2.111544|2.401142|2.711575|5.565792|3.813277|7.677437|9.673519|24.526353|4.720457|6.100432|7.948113|8.806361|9.172391|6.393183|5.677762|4.511754|7.710695|4.963424|17.698729|8.626830|8.652016|0.065750|0.062701|0.059637|0.087441|0.058973|0.051796|0.053976|0.066634|0.118814|0.132386|0.209898|0.191470|0.126669|0.096475|0.088638|0.500000|
|2.089417|2.370013|0.069399|2.160527|3.442709|3.064198|2.056174|1.809900|1.673838|1.709976|1.911268|2.124157|4.311174|2.759696|5.670490|6.491897|19.865478|3.560805|4.751509|5.923902|5.500983|6.175919|4.447535|3.655071|3.301509|6.229549|3.719611|8.577941|17.715237|8.581134|0.060015|0.055039|0.053347|0.069223|0.048422|0.042808|0.044250|0.053285|0.086632|0.106855|0.154995|0.106831|0.086372|0.070889|0.070128|0.213203|0.500000|
|2.435954|2.794610|0.084531|2.459157|3.835114|3.482418|2.268621|1.962972|1.785695|1.812258|2.042460|2.322745|4.808969|3.004893|5.934829|6.917110|23.161064|4.366097|6.055712|7.811619|6.919054|7.326766|4.672474|3.576692|3.080474|5.673726|3.478149|8.581106|17.719312|8.626205|0.071083|0.062638|0.061947|0.080525|0.052610|0.045363|0.046405|0.056451|0.096766|0.116077|0.150880|0.100683|0.087754|0.067434|0.064961|0.171605|0.292301|0.500000|
|2.307223|2.732911|0.084027|2.542035|3.918793|3.826658|2.573985|2.173138|2.006547|2.104071|2.459409|2.790621|6.133726|4.061127|8.060138|8.652952|21.222040|4.110421|6.470647|9.728768|6.981735|6.360193|3.761337|3.239206|2.707685|4.710312|3.205869|8.645256|8.621811|17.747467|0.064884|0.059029|0.060141|0.090797|0.056562|0.050164|0.053842|0.069955|0.143684|0.090560|0.110505|0.097658|0.082528|0.064335|0.059392|0.172160|0.170846|0.211812|0.500000|
|2.005105|2.330782|0.069092|2.215656|3.501965|3.291709|2.276611|1.971464|1.852717|1.950358|2.242521|2.466938|5.197109|3.517581|7.453423|7.872114|18.582042|3.414990|4.943843|6.646171|5.529633|5.555284|3.633515|3.292154|2.849336|5.003932|3.387601|8.641352|8.604006|17.719804|0.056094|0.052503|0.052154|0.075458|0.051459|0.046794|0.050606|0.064292|0.115916|0.085795|0.111798|0.103130|0.081283|0.067247|0.063181|0.214160|0.209911|0.171153|0.292214|0.500000|
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