Version2.0
2020-07-16T20:51:45Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
30-Apr-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CN(C)CCCOc4cn3ncnc(Oc2ccc(NC(=O)c1c(F)cccc1F)cc2F)c3c4C 424292 CHEMBL400332
RHF
6-31G(d)
(6D,7F)
CN(C)CCCOc4cn3ncnc(Oc2ccc(NC(=O)c1c(F)cccc1F)cc2F)c3c4C
C01[X(C25H24F3N5O3)]
174
C1
588
CN(CCCOc1cn2c(c1C)c(ncn2)Oc1ccc(cc1F)NC(=O)c1c(F)cccc1F)C
CN(CCCOc1cn2c(c1C)c(ncn2)Oc1ccc(cc1F)NC(=O)c1c(F)cccc1F)C
CN(C)CCCOc1cn2ncnc(Oc3ccc(NC(=O)c4c(F)cccc4F)cc3F)c2c1C
InChIKey=FGBUUKMIHXTQQT-UHFFFAOYSA-N
InChI=1S/C25H24F3N5O3/c1-15-21(35-11-5-10-32(2)3)13-33-23(15)25(29-14-30-33)36-20-9-8-16(12-19(20)28)31-24(34)22-17(26)6-4-7-18(22)27/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,31,34)
InChI=1/C25H24F3N5O3/c1-15-21(35-11-5-10-32(2)3)13-33-23(15)25(29-14-30-33)36-20-9-8-16(12-19(20)28)31-24(34)22-17(26)6-4-7-18(22)27/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,31,34)/f/h31H
CN(C)CCCOc4cn3ncnc(Oc2ccc(NC(=O)c1c(F)cccc1F)cc2F)c3c4C
C01[X(C25H24F3N5O3)]
174
C01
588
CN(CCCOc1cn2c(c1C)c(ncn2)Oc1ccc(cc1F)NC(=O)c1c(F)cccc1F)C
CN(CCCO[C]1[CH][N]2[C]([C]1C)[C]([N][CH]=N2)O[C]1[CH][CH][C]([CH][C]1F)NC(=O)[C]1[C]([CH][CH][CH][C]1F)F)C
C[C]1[C]([CH]N2N=C[N][C](O[C]3[CH][CH][C]([CH][C]3F)NC(=O)[C]4[C](F)[CH][CH][CH][C]4F)[C]12)OCCCN(C)C
InChIKey=FGBUUKMIHXTQQT-UHFFFAOYSA-N
InChI=1S/C25H24F3N5O3/c1-15-21(35-11-5-10-32(2)3)13-33-23(15)25(29-14-30-33)36-20-9-8-16(12-19(20)28)31-24(34)22-17(26)6-4-7-18(22)27/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,31,34)
InChI=1/C25H24F3N5O3/c1-15-21(35-11-5-10-32(2)3)13-33-23(15)25(29-14-30-33)36-20-9-8-16(12-19(20)28)31-24(34)22-17(26)6-4-7-18(22)27/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,31,34)/f/h31H
3502.3224274504
-1755.7555101
1-A
41575.9250
130
458
588
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10.33534
3.3107 -1.3629 -3.9597
5.3383
|XX|YY|ZZ|XY|XZ|YZ|
-118.0741 -210.4476 -210.2904 -15.0797 -28.6043 0.3559
|XX|YY|ZZ|XY|XZ|YZ|
61.5299 -30.8435 -30.6864 -15.0797 -28.6043 0.3559
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
565.9627 -1.0306 -1.7790 34.0218 -14.7248 -86.6741 -3.8469 -13.3857 6.5414 31.0190
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-39345.7342 -2122.1391 -1023.1753 -1037.2723 -1500.4615 86.9945 28.8654 -24.4233 57.1986 -9088.6119 -9074.4853 -518.0066 -50.8135 -59.3493 -20.6444
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7.9182 12.1627 12.9650 23.4322 26.1999 31.8002 34.2337 46.4501 47.5546 62.4494 72.7666 79.0971 100.2530 106.9710 112.1800 130.6873 145.4860 157.7158 172.5053 177.3058 188.2920 207.2837 230.3587 246.3340 257.1384 270.8593 272.4442 276.1710 296.3452 299.5654 314.6632 333.4567 349.0987 363.8240 382.1018 403.9213 405.6988 415.8929 444.6621 450.6784 489.8306 512.1940 527.5107 534.0019 537.7508 548.6054 563.3120 578.8223 601.2268 616.3673 626.7897 638.0077 649.7440 662.2639 669.4007 677.3433 695.7145 699.2640 728.3318 738.2795 766.3294 776.6871 808.6632 817.4410 833.5805 836.5274 842.4769 864.4076 870.4587 884.7520 901.7793 923.9362 931.3336 953.7722 974.0247 978.1804 984.9666 997.3345 1004.6488 1066.2142 1069.4534 1077.3481 1107.8733 1109.8189 1129.8997 1142.5161 1157.7193 1161.4154 1166.4290 1168.8978 1170.3100 1185.4496 1203.9293 1212.4666 1220.2777 1226.2444 1228.1953 1236.9505 1269.0014 1285.4032 1301.5623 1303.2137 1310.3180 1319.4850 1337.3004 1339.9157 1345.1668 1375.8021 1380.4560 1402.6731 1411.5684 1433.3510 1440.9587 1441.9688 1450.2158 1455.7737 1474.4994 1487.7099 1496.5081 1538.0168 1551.5137 1568.9554 1575.6847 1588.1595 1595.4072 1599.0519 1606.7504 1629.9314 1633.9612 1635.3127 1638.7913 1641.2851 1642.5702 1649.8387 1650.6475 1654.6355 1660.4339 1664.6913 1680.5492 1692.1005 1706.6932 1717.7126 1735.9261 1771.5585 1788.9094 1814.5036 1825.8433 1832.4028 1859.4741 1975.5628 3098.1084 3119.1219 3130.7804 3187.4233 3212.4098 3221.2523 3225.0853 3234.7101 3244.3431 3258.0635 3259.7983 3280.4898 3285.1886 3304.0936 3326.6254 3364.4290 3387.9421 3398.8908 3409.6899 3414.8826 3426.6890 3472.9074 3484.5365 3896.0785
6.7274 5.7589 6.7009 2.9068 5.1632 6.2669 6.5501 3.4175 1.2470 5.7893 5.7451 3.6285 5.1024 3.6859 2.2605 8.0432 2.9678 3.9634 6.0906 4.6898 8.3577 4.7282 5.6888 6.5778 1.1109 4.7272 1.3559 4.7212 6.7121 4.5873 3.7159 4.0752 12.0408 6.5554 6.9156 4.1892 3.1253 5.7190 4.1816 7.9557 3.1199 3.1664 3.4359 4.0094 3.9932 6.2065 3.1438 1.8954 6.3510 6.3724 7.1352 4.2127 5.7972 7.4487 5.3402 4.9641 6.2254 3.7699 6.6904 3.2834 4.4439 4.3435 7.5350 6.2136 1.1436 6.5514 4.8198 2.1808 1.7108 3.5727 3.0183 3.5120 2.1219 3.3715 1.3042 6.4725 4.2629 1.4114 1.4162 3.4895 1.3602 1.3706 2.8126 1.3140 4.8381 3.0009 1.7211 2.3862 2.6028 1.4205 2.2202 3.7547 4.1917 2.9205 2.5578 1.2752 2.7699 1.5165 3.3605 4.0114 2.3878 2.3331 1.6243 1.7184 2.1615 2.2537 2.1868 2.3491 1.5038 1.8192 2.0706 1.6030 3.0906 1.7234 1.1845 4.8738 1.3117 3.5630 2.1590 3.9517 3.0858 1.3749 1.5564 3.5648 1.3970 2.5390 2.4725 1.2025 1.0530 1.0935 1.0496 3.4363 1.0854 3.2690 1.0817 1.0480 1.0790 1.0792 1.1377 3.1303 5.3159 5.7251 2.4237 6.8080 6.8838 4.6547 7.6183 7.0153 8.5071 9.4530 1.0735 1.0604 1.0627 1.0563 1.0412 1.1041 1.0905 1.0620 1.0737 1.0749 1.1017 1.1068 1.1044 1.1010 1.0986 1.0911 1.0902 1.0955 1.0943 1.0979 1.0944 1.0935 1.0983 1.0784
0.0002 0.0005 0.0007 0.0009 0.0021 0.0037 0.0045 0.0043 0.0017 0.0133 0.0179 0.0134 0.0302 0.0249 0.0168 0.0809 0.0370 0.0581 0.1068 0.0869 0.1746 0.1197 0.1779 0.2352 0.0433 0.2043 0.0593 0.2122 0.3473 0.2425 0.2168 0.2670 0.8646 0.5112 0.5949 0.4027 0.3031 0.5828 0.4871 0.9521 0.4410 0.4894 0.5633 0.6736 0.6804 1.1006 0.5878 0.3741 1.3526 1.4264 1.6516 1.0103 1.4420 1.9248 1.4099 1.3419 1.7753 1.0861 2.0910 1.0544 1.5376 1.5438 2.9031 2.4463 0.4682 2.7011 2.0155 0.9601 0.7637 1.6478 1.4462 1.7664 1.0844 1.8070 0.7290 3.6489 2.4367 0.8271 0.8422 2.3372 0.9166 0.9373 2.0340 0.9535 3.6392 2.3080 1.3591 1.8964 2.0865 1.1436 1.7916 3.1088 3.5796 2.5296 2.2441 1.1298 2.4618 1.3671 3.1884 3.9051 2.3833 2.3346 1.6431 1.7627 2.2775 2.3839 2.3314 2.6197 1.6884 2.1089 2.4308 1.9404 3.7810 2.1113 1.4677 6.0857 1.6803 4.6462 2.8488 5.5075 4.3766 1.9940 2.2767 5.2975 2.0950 3.8250 3.7609 1.8823 1.6564 1.7229 1.6608 5.4540 1.7253 5.2425 1.7365 1.6905 1.7527 1.7620 1.8931 5.2806 9.1229 9.9526 4.3032 12.5888 12.9795 9.0293 14.9635 13.8783 17.3306 21.7370 6.0709 6.0786 6.1369 6.3228 6.3306 6.7500 6.6825 6.5472 6.6588 6.7225 6.8978 7.0178 7.0227 7.0817 7.1628 7.2764 7.3728 7.4568 7.4958 7.5430 7.5712 7.7709 7.8574 9.6450
0.6114 0.3983 0.7581 0.6294 0.2048 1.3003 0.0337 2.6167 0.8181 0.5088 2.9509 1.4913 0.7448 0.3923 0.1197 0.9261 1.8441 0.2076 1.2729 2.1574 2.0227 0.5912 0.4549 0.3752 1.1020 0.0401 0.0801 0.0272 1.4538 0.5339 0.7870 4.8769 2.9432 17.8975 2.8131 1.7484 6.5603 5.9589 3.6903 3.5740 1.6773 10.8182 1.6421 11.6406 12.9659 9.3528 34.3727 32.2722 0.8504 2.9165 15.1269 16.8192 11.3322 10.2184 1.0888 4.5414 6.9329 11.5401 15.1377 0.6939 7.2386 6.3186 10.5003 2.8367 2.9475 7.0434 0.2060 19.7938 38.0904 23.5589 67.1464 24.2111 41.3728 39.8778 1.6008 32.4747 32.3722 0.1411 39.2897 44.1741 4.7173 2.7471 45.9000 1.0709 101.8306 39.1018 31.0428 7.1736 5.0011 0.0376 37.3153 4.6567 178.5690 40.3690 8.1827 4.2702 65.9713 7.3007 32.7059 73.6858 27.5986 41.4802 20.8759 10.3937 26.7342 48.7221 279.7852 164.2965 5.7912 210.8099 54.2589 33.5465 29.1782 6.0765 10.9150 172.0729 8.0192 84.1302 69.9454 395.6707 351.9326 21.4874 95.8740 704.5245 32.5757 65.6110 66.5858 1.1561 9.2628 26.6303 7.7603 39.7762 3.7373 102.7541 1.3173 7.8430 8.1161 5.2492 15.2786 400.5147 255.9637 191.0229 661.0956 126.1443 101.7678 128.2515 241.6281 3.0047 139.9157 335.0179 40.1197 34.3056 165.9748 32.3864 41.1912 21.5145 30.5385 18.6292 49.7130 58.7081 24.8527 28.1110 81.8010 55.0321 15.8144 17.8122 6.5659 5.1139 2.5621 2.9475 21.2007 13.7124 0.8463 41.0222
0.6892 1.5043 0.7588 0.2750 0.7035 4.7729 2.5651 0.6527 0.8116 3.2024 0.6647 0.7844 1.4286 0.8373 0.6523 1.8420 0.4459 0.3674 0.5732 0.3608 0.6449 0.9672 1.7671 0.6280 0.1462 3.6913 0.4287 2.1097 3.3706 0.6606 1.4980 0.8215 0.3468 1.4448 2.0047 1.0800 0.5353 1.9694 2.4523 1.6112 1.2341 0.6520 2.3392 1.6886 0.8869 2.5445 6.1340 2.1216 3.5094 3.2332 13.0136 3.8717 2.8223 8.9661 1.0578 2.5988 0.2232 1.1306 2.7075 0.0575 6.2494 1.3893 2.2547 1.6348 0.6043 18.0280 6.6176 9.7341 0.4149 16.8259 4.9668 5.0405 14.3140 5.4398 5.5099 1.0350 27.3442 1.5427 2.4640 7.0641 1.6391 2.4208 2.4911 0.0878 1.5061 24.2347 11.0847 19.9090 9.0848 0.9525 10.0791 13.9468 27.6123 0.8836 8.5744 6.1284 23.0754 2.1234 8.7256 68.4221 30.1589 3.8122 6.1607 0.4815 19.9913 7.4435 1.7475 6.8349 3.2294 4.5628 25.2319 4.8625 109.5712 17.5134 23.6430 3.1619 5.1245 27.2608 98.7711 87.6222 50.4002 14.8418 24.3689 86.4819 2.5865 85.0538 71.6959 6.4905 17.6363 33.2227 22.1987 2.0567 12.4474 11.3212 14.7009 20.8103 13.3130 4.3305 11.2139 9.3571 3.9486 145.4050 7.6724 24.5857 5.3226 6.8747 205.3244 143.3215 2.8271 72.3711 22.4027 13.4835 173.4705 61.6161 165.3217 21.6484 69.9555 42.5270 60.3495 165.8588 91.9065 35.7507 71.7481 67.6453 63.8921 70.7100 76.7521 95.9788 80.4735 229.8162 138.0315 49.5698 74.9488 60.8961
0.7500 0.7499 0.7492 0.7472 0.7470 0.7425 0.7500 0.6471 0.7314 0.7449 0.3701 0.7498 0.4318 0.3837 0.6557 0.5972 0.7180 0.7468 0.6542 0.7471 0.5223 0.5717 0.6156 0.6921 0.7490 0.7500 0.7205 0.7192 0.6723 0.7500 0.5229 0.5885 0.5518 0.4380 0.7496 0.7449 0.6924 0.6750 0.6725 0.4908 0.6834 0.7342 0.4995 0.4633 0.6845 0.3102 0.5400 0.4925 0.7362 0.3659 0.2364 0.7172 0.2501 0.0874 0.7401 0.2358 0.7016 0.2906 0.2869 0.5658 0.3152 0.7188 0.6303 0.7435 0.5817 0.2098 0.2187 0.1535 0.7430 0.1493 0.4658 0.3324 0.1626 0.7383 0.3537 0.3758 0.5335 0.7404 0.7366 0.1161 0.5831 0.7478 0.2933 0.7480 0.0723 0.4293 0.7490 0.1015 0.3261 0.7500 0.5434 0.1363 0.5133 0.6291 0.7500 0.6259 0.3799 0.7073 0.3177 0.4001 0.4259 0.6033 0.3500 0.2907 0.5899 0.7500 0.5519 0.1710 0.5818 0.3483 0.2499 0.4185 0.2380 0.2227 0.7156 0.5774 0.7036 0.5287 0.5191 0.2684 0.4943 0.1415 0.5390 0.2864 0.7286 0.3765 0.2059 0.6269 0.7499 0.7491 0.7485 0.4912 0.6680 0.3284 0.6907 0.7382 0.7014 0.7500 0.5442 0.2567 0.7409 0.1617 0.6896 0.3026 0.4177 0.4049 0.4500 0.3798 0.7386 0.2108 0.3648 0.7178 0.1441 0.0591 0.0572 0.5140 0.4878 0.1630 0.3075 0.1542 0.7371 0.6935 0.7122 0.7022 0.6642 0.4045 0.6515 0.2087 0.7500 0.1111 0.2730 0.2474 0.2746 0.1660
0.8571 0.8571 0.8567 0.8553 0.8552 0.8522 0.8571 0.7857 0.8449 0.8538 0.5402 0.8570 0.6031 0.5546 0.7920 0.7478 0.8359 0.8550 0.7910 0.8552 0.6862 0.7275 0.7621 0.8180 0.8565 0.8571 0.8375 0.8367 0.8041 0.8571 0.6867 0.7410 0.7112 0.6092 0.8569 0.8538 0.8182 0.8060 0.8042 0.6585 0.8120 0.8467 0.6663 0.6332 0.8127 0.4736 0.7013 0.6599 0.8480 0.5358 0.3824 0.8353 0.4001 0.1608 0.8506 0.3816 0.8246 0.4504 0.4458 0.7227 0.4793 0.8364 0.7732 0.8529 0.7355 0.3469 0.3589 0.2662 0.8526 0.2598 0.6355 0.4989 0.2798 0.8495 0.5226 0.5463 0.6958 0.8508 0.8483 0.2081 0.7367 0.8557 0.4536 0.8558 0.1348 0.6007 0.8565 0.1842 0.4918 0.8571 0.7041 0.2399 0.6784 0.7723 0.8571 0.7699 0.5506 0.8286 0.4822 0.5715 0.5974 0.7525 0.5185 0.4505 0.7420 0.8571 0.7113 0.2920 0.7356 0.5166 0.3999 0.5901 0.3844 0.3642 0.8342 0.7321 0.8260 0.6917 0.6835 0.4232 0.6615 0.2479 0.7005 0.4453 0.8430 0.5471 0.3414 0.7707 0.8571 0.8566 0.8562 0.6588 0.8010 0.4945 0.8170 0.8494 0.8245 0.8571 0.7048 0.4086 0.8512 0.2783 0.8163 0.4646 0.5892 0.5764 0.6207 0.5505 0.8496 0.3481 0.5346 0.8357 0.2519 0.1117 0.1083 0.6790 0.6557 0.2803 0.4704 0.2671 0.8487 0.8190 0.8319 0.8251 0.7982 0.5760 0.7890 0.3453 0.8571 0.2000 0.4289 0.3967 0.4309 0.2848
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
6 7 6 6 6 6 8 6 6 7 7 6 7 6 8 6 6 6 6 7 6 8 6 6 9 6 6 6 6 9 6 6 9 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
12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 18.99840 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 18.99840 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
4074.0818 73657.4254 75230.4782
0.99999 0.00281 -0.00388 -0.00291 0.99971 -0.02382 0.00381 0.02384 0.99971
1
0.02126 0.00118 0.00115
0.44298 0.02450 0.02399
11.39 17.50 18.65 33.71 37.70 45.75 49.25 66.83 68.42 89.85 104.69 113.80 144.24 153.91 161.40 188.03 209.32 226.92 248.20 255.10 270.91 298.23 331.43 354.42 369.96 389.71 391.99 397.35 426.37 431.01 452.73 479.77 502.28 523.46 549.76 581.15 583.71 598.38 639.77 648.43 704.76 736.93 758.97 768.31 773.70 789.32 810.48 832.80 865.03 886.82 901.81 917.95 934.84 952.85 963.12 974.55 1000.98 1006.08 1047.91 1062.22 1102.58 1117.48 1163.49 1176.12 1199.34 1203.58 1212.14 1243.69 1252.40 1272.96 1297.46 1329.34 1339.98 1372.27 1401.40 1407.38 1417.15 1434.94 1445.47 1534.04 1538.70 1550.06 1593.98 1596.78 1625.67 1643.83 1665.70 1671.02 1678.23 1681.78 1683.82 1705.60 1732.19 1744.47 1755.71 1764.29 1767.10 1779.70 1825.81 1849.41 1872.66 1875.03 1885.26 1898.44 1924.08 1927.84 1935.40 1979.47 1986.17 2018.13 2030.93 2062.27 2073.22 2074.67 2086.54 2094.53 2121.48 2140.48 2153.14 2212.86 2232.28 2257.38 2267.06 2285.01 2295.44 2300.68 2311.76 2345.11 2350.91 2352.85 2357.86 2361.44 2363.29 2373.75 2374.91 2380.65 2388.99 2395.12 2417.94 2434.56 2455.55 2471.41 2497.61 2548.88 2573.84 2610.67 2626.98 2636.42 2675.37 2842.39 4457.49 4487.72 4504.49 4585.99 4621.94 4634.66 4640.18 4654.03 4667.89 4687.63 4690.12 4719.89 4726.65 4753.85 4786.27 4840.66 4874.49 4890.25 4905.78 4913.25 4930.24 4996.74 5013.47 5605.59
0.501401
0.532824
0.533769
0.431068
-1755.254109
-1755.222686
-1755.221742
-1755.324442
3.444575D-04
MUNgauss
RevisionA2.0
retrievium
16-Jul-2020
DUDE CN(C)CCCOc4cn3ncnc(Oc2ccc(NC(=O)c1c(F)cccc1F)cc2F)c3c4C 424292 CHEMBL400332
RHF
6-31G(d)
(6D,10F)
C1
499.183125
|X|Y|Z|
197.654520 40.892051 28.921292
61.601002
24
|36.858105|
|13.156798|53.358707|
|7.982709|17.916467|36.858105|
|7.864598|17.862585|7.952463|36.858105|
|6.262720|10.412838|5.066015|12.464989|36.858105|
|4.265537|6.792059|3.900606|7.559416|12.542845|36.858105|
|3.601168|5.343930|3.139544|5.106402|8.054519|13.568001|73.516695|
|2.895319|4.256751|2.637607|3.917652|5.246062|8.096625|25.173975|36.858105|
|2.611635|3.894138|2.504975|3.598198|4.370817|6.647495|13.796574|13.844005|36.858105|
|2.223853|3.250775|2.129233|2.873937|3.388295|4.574222|9.665184|8.708731|14.147771|53.358707|
|1.973271|2.882553|1.934287|2.507130|2.823530|3.633532|7.098067|5.448680|7.960734|19.220632|53.358707|
|1.772533|2.556926|1.724166|2.173028|2.436251|3.002461|5.947501|4.370093|5.469098|11.763733|20.364880|36.858105|
|1.724713|2.459484|1.645813|2.062370|2.347143|2.829429|5.811474|4.236430|4.752971|9.713206|10.942174|13.943948|53.358707|
|1.876676|2.666162|1.756143|2.243583|2.626213|3.189602|6.906523|5.237891|5.412497|11.069672|9.517656|8.458018|20.296488|36.858105|
|1.796577|2.519973|1.656052|2.080339|2.441237|2.852296|6.218192|4.390501|4.174449|7.313889|6.395694|5.445223|11.397481|14.319625|73.516695|
|1.592798|2.222989|1.479295|1.809350|2.075694|2.368002|4.965116|3.342804|3.273028|5.534198|5.280378|4.701106|9.649337|8.129624|24.617543|36.858105|
|1.487373|2.083647|1.395685|1.678030|1.907930|2.144006|4.426297|2.901450|2.842507|4.649781|4.514465|3.941223|7.369615|5.754916|14.172866|13.838000|36.858105|
|1.346422|1.877291|1.268063|1.497937|1.678784|1.859626|3.759225|2.407462|2.380678|3.799700|3.784766|3.276835|5.726956|4.199075|9.278082|7.969570|13.786029|36.858105|
|1.296830|1.796411|1.216821|1.432035|1.594444|1.760967|3.529640|2.249102|2.239812|3.559007|3.590303|3.114929|5.341576|3.819501|8.153910|6.854369|7.910947|13.689639|36.858105|
|1.184463|1.637309|1.116650|1.295202|1.426841|1.558622|3.078954|1.929396|1.927532|3.000063|3.051201|2.595213|4.223400|2.991681|6.094454|4.554426|5.198490|7.986297|13.554309|53.358707|
|1.126402|1.549212|1.060028|1.221272|1.336690|1.451273|2.842969|1.765251|1.766152|2.716373|2.769933|2.324936|3.681734|2.606138|5.187722|3.680855|3.901603|5.167745|7.651412|19.059445|36.858105|
|1.144791|1.568233|1.072023|1.238292|1.354799|1.471942|2.881731|1.789572|1.791724|2.753311|2.806749|2.349626|3.704454|2.625266|5.189654|3.628862|3.616707|4.458416|6.537234|11.457092|15.954715|73.516695|
|1.037757|1.427335|0.981899|1.118155|1.214869|1.308519|2.539386|1.559522|1.561332|2.368883|2.419227|2.000730|3.087884|2.188305|4.277957|2.909361|3.137632|4.004125|5.038345|10.736133|12.626870|14.378860|36.858105|
|1.010918|1.390038|0.956589|1.083483|1.177145|1.259697|2.444331|1.489922|1.480525|2.226973|2.253734|1.843460|2.834330|2.037976|4.009191|2.685325|2.970445|3.767995|4.361425|8.593063|7.459754|9.655672|13.744999|36.858105|
|1.056049|1.452132|0.995345|1.131107|1.236224|1.321363|2.582712|1.573560|1.549238|2.330196|2.332027|1.903507|2.962517|2.164889|4.346576|2.934477|3.344351|4.341429|4.808733|9.143380|6.656258|8.761497|8.159757|14.320629|97.533100|
|0.943196|1.296410|0.896002|1.006036|1.086470|1.156253|2.226998|1.347402|1.340723|1.998180|2.024931|1.639800|2.479417|1.782075|3.455824|2.255152|2.470254|3.003432|3.329886|5.953486|4.973613|7.220063|7.827598|13.836413|18.472133|36.858105|
|0.903513|1.241755|0.861265|0.963700|1.035370|1.102064|2.109483|1.275296|1.277217|1.900045|1.939811|1.568741|2.344244|1.669311|3.189732|2.060507|2.213265|2.632605|2.945193|5.119547|4.426164|6.791052|6.810500|8.040834|11.988493|13.767264|36.858105|
|0.920235|1.265020|0.877581|0.985356|1.057864|1.131124|2.163063|1.313957|1.324026|1.979636|2.036310|1.657139|2.472930|1.742379|3.306302|2.146796|2.269361|2.695901|3.112262|5.450116|5.013818|7.915937|7.841022|6.944894|10.523110|7.917523|13.764032|36.858105|
|0.983394|1.352301|0.934689|1.058250|1.141694|1.227952|2.362039|1.445797|1.458306|2.201336|2.268285|1.866795|2.823539|1.979783|3.784295|2.510161|2.643127|3.214917|3.908607|7.266197|7.579549|11.488445|13.706673|8.095371|11.998715|6.913074|8.013211|13.825834|36.858105|
|0.995898|1.369781|0.947733|1.075693|1.158083|1.250926|2.399338|1.474569|1.499085|2.271685|2.363243|1.954755|2.936621|2.031876|3.830418|2.530649|2.593835|3.082102|3.809269|6.641460|6.813992|12.072481|8.161554|5.345816|9.188067|4.677605|5.336537|8.240541|14.461298|97.533100|
|1.365254|1.883772|1.271265|1.511450|1.688921|1.879471|3.786426|2.437844|2.434335|3.914316|3.944159|3.454789|6.050062|4.327290|9.244246|7.893827|6.852878|7.922737|13.697400|10.532774|6.301818|11.779841|4.225790|3.579214|8.494163|2.849800|2.609879|2.816319|3.513414|8.144460|36.858105|
|1.512468|2.092229|1.399712|1.696677|1.922668|2.174197|4.471309|2.955453|2.934402|4.864014|4.789978|4.261620|8.111516|6.114874|14.164714|13.827248|8.032863|6.965220|8.009702|7.021460|4.338551|8.045142|3.248277|2.883229|6.919788|2.387897|2.203155|2.342433|2.805055|6.506119|13.841912|36.858105|
|1.589281|2.185659|1.457715|1.784365|2.024385|2.304085|4.738314|3.148392|3.138846|5.192178|5.075363|4.411524|7.966942|6.095612|12.486570|8.200484|5.332000|4.694585|5.314637|5.418758|3.634552|7.076156|2.822853|2.504502|5.885857|2.124060|1.995874|2.136681|2.524569|5.977311|8.193148|14.400361|97.533100|
|2.176091|3.122640|2.021822|2.696575|3.263291|4.190240|9.675178|8.608778|8.555782|18.859930|10.731335|7.152786|10.924814|13.354440|14.490664|5.264437|4.193904|3.259429|2.999747|3.348037|2.195869|3.949289|1.888718|1.780259|4.245708|1.581071|1.488042|1.544221|1.728815|3.982928|3.328591|4.348117|10.319192|36.858105|
|2.501765|3.575613|2.250483|3.112753|3.998500|5.194572|14.086776|13.532392|8.380043|11.586531|7.325758|4.751657|6.966002|7.275572|11.131581|4.312983|3.604345|2.874141|2.648722|3.016202|1.999711|3.598008|1.741194|1.661482|3.986234|1.486118|1.395176|1.436378|1.594003|3.643561|2.896030|3.650833|8.674636|13.809882|36.858105|
|2.482346|3.456141|2.156366|2.893531|3.740396|4.350246|11.380240|7.382824|5.123548|6.988868|5.222472|3.627999|5.560780|5.593922|10.532078|4.245536|3.631961|2.911329|2.668013|3.045988|2.019767|3.625816|1.761373|1.699269|4.129384|1.517737|1.412671|1.442482|1.597531|3.612703|2.885392|3.587472|8.345571|7.298875|12.691883|36.858105|
|17.579705|12.484652|7.366864|5.686551|4.769786|3.486498|5.424464|2.520572|2.291768|2.706438|2.426779|1.618323|2.153301|1.713482|2.939870|1.479893|1.392577|1.268355|1.221811|1.527098|1.069003|1.928098|0.989469|0.967076|2.273100|0.905286|0.867421|0.881343|0.938666|2.134073|1.279751|1.407442|3.308829|1.958333|2.228112|2.238099|0.500000|
|17.611243|12.392583|5.721442|7.063601|6.993308|4.571078|7.156416|3.149908|2.752605|3.191046|2.790344|1.846900|2.471295|2.000268|3.430689|1.699162|1.580500|1.424078|1.369589|1.695579|1.182516|2.138000|1.085736|1.058254|2.495951|0.984537|0.940323|0.956956|1.024952|2.331882|1.444991|1.608877|3.809533|2.334361|2.741943|2.780450|0.303135|0.500000|
|17.401452|12.192160|6.985394|6.973036|5.459708|4.028752|6.027444|2.789139|2.560767|2.978020|2.664620|1.757378|2.315810|1.839369|3.117385|1.560622|1.449607|1.316968|1.277054|1.589894|1.115612|2.023789|1.027274|0.997411|2.335823|0.930911|0.894356|0.913465|0.976512|2.232598|1.351435|1.495221|3.562357|2.123825|2.411217|2.366291|0.300218|0.300118|0.500000|
|7.009208|12.176412|17.405068|6.995709|4.534681|3.676722|5.258835|2.530564|2.443608|2.836892|2.601401|1.702146|2.199108|1.712420|2.859603|1.442209|1.355104|1.235423|1.192400|1.491806|1.044354|1.883610|0.967337|0.939706|2.192441|0.880709|0.848978|0.867238|0.923700|2.113810|1.250759|1.374928|3.240602|1.963197|2.160877|2.053472|0.176014|0.141789|0.203216|0.500000|
|5.725870|12.445826|17.575713|7.251784|4.800513|3.898742|5.533826|2.651870|2.558170|2.953933|2.699186|1.760505|2.272314|1.772325|2.953747|1.484475|1.406861|1.276848|1.220431|1.524484|1.060252|1.900500|0.983171|0.958200|2.242870|0.897916|0.863205|0.879338|0.936113|2.135085|1.270239|1.397934|3.258940|2.040282|2.251059|2.131243|0.148396|0.127484|0.141916|0.300061|0.500000|
|7.310653|12.464982|17.576217|5.715421|4.188595|3.285528|4.913409|2.350753|2.221725|2.616933|2.389514|1.582928|2.072651|1.623458|2.747931|1.390511|1.319224|1.204567|1.156384|1.450532|1.013506|1.820154|0.942224|0.920743|2.156621|0.864699|0.831056|0.844845|0.897346|2.042628|1.203669|1.317901|3.076352|1.847513|2.050737|1.997418|0.226942|0.148164|0.173387|0.300318|0.302021|0.500000|
|5.722640|12.624109|7.612446|17.545368|8.918244|7.117694|8.495450|3.836447|3.666386|3.968959|3.505881|2.214983|2.826535|2.235743|3.649765|1.790139|1.671077|1.491604|1.420055|1.750165|1.209179|2.171850|1.109372|1.075242|2.522920|0.999539|0.958294|0.979803|1.051197|2.404461|1.491266|1.670384|3.925088|2.680274|3.029782|2.758609|0.128402|0.143175|0.144245|0.183519|0.233972|0.151080|0.500000|
|7.108547|12.267122|6.924619|17.375733|8.815756|6.810316|8.361211|3.765891|3.565227|3.888831|3.432854|2.179098|2.792371|2.212882|3.626162|1.781737|1.640248|1.470337|1.417336|1.746924|1.216053|2.202564|1.112133|1.073277|2.510712|0.996632|0.957778|0.982634|1.056173|2.425547|1.506180|1.689560|4.039202|2.646268|3.000917|2.755230|0.143958|0.174188|0.209308|0.201283|0.169950|0.141625|0.302687|0.500000|
|6.703506|9.135364|4.522268|8.772281|17.575564|8.988823|13.295734|4.970766|4.036124|4.395256|3.660900|2.356058|3.135015|2.597541|4.358977|2.087785|1.904484|1.680296|1.606683|1.956508|1.352251|2.447984|1.226433|1.187628|2.807915|1.094959|1.042937|1.065934|1.151599|2.628711|1.712751|1.951618|4.666221|3.198924|3.974264|3.875987|0.138792|0.237070|0.166804|0.116195|0.113782|0.108096|0.173750|0.212661|0.500000|
|5.750720|9.718580|4.823642|8.878009|17.567327|8.910415|12.930199|4.888176|4.006334|4.359771|3.641920|2.341964|3.110300|2.570215|4.308995|2.064563|1.922309|1.688647|1.589422|1.938096|1.328246|2.379805|1.210733|1.179540|2.799683|1.089714|1.034987|1.052969|1.134206|2.575775|1.667231|1.891386|4.418074|3.159651|3.902347|3.788509|0.130022|0.181626|0.131354|0.114377|0.130595|0.115520|0.210408|0.173450|0.302812|0.500000|
|3.798096|6.345922|3.850766|6.822517|8.821840|17.519619|16.563597|7.221663|6.781689|6.312253|5.133115|3.071907|3.864300|3.141190|4.928279|2.318245|2.127337|1.845781|1.735280|2.095825|1.428161|2.560505|1.292505|1.245965|2.938034|1.145880|1.092951|1.120904|1.214533|2.781899|1.834715|2.110564|4.963719|4.078351|4.788372|3.929626|0.088922|0.108808|0.098895|0.099776|0.112385|0.089876|0.211352|0.165379|0.174515|0.213851|0.500000|
|4.068267|6.243447|3.739659|6.910695|8.817333|17.515572|16.567155|7.232069|6.775247|6.316621|5.135658|3.074770|3.868822|3.146530|4.935055|2.324778|2.081843|1.818673|1.743211|2.103643|1.448288|2.628241|1.303654|1.247875|2.928229|1.145555|1.096638|1.130792|1.229158|2.833780|1.879392|2.172988|5.268471|4.086284|4.801418|3.941935|0.092122|0.118228|0.112781|0.102526|0.102452|0.087079|0.178013|0.204358|0.212083|0.173623|0.300933|0.500000|
|2.657819|4.040798|2.646903|3.814237|4.380014|6.704998|11.470283|8.505298|17.853198|12.343222|9.701102|4.862836|5.504704|4.304923|6.099519|2.817993|2.497461|2.139876|2.029829|2.413701|1.638226|2.955770|1.461369|1.386072|3.242669|1.263548|1.210448|1.256123|1.376199|3.191962|2.192087|2.580309|6.198949|5.895895|5.729328|4.022409|0.064570|0.076148|0.073052|0.072477|0.075963|0.064400|0.111250|0.106975|0.109180|0.109000|0.205555|0.204691|0.500000|
|1.636996|2.359475|1.610963|1.986494|2.181814|2.633816|5.067950|3.552168|4.356411|8.156188|12.999471|17.770206|12.502827|5.951364|7.796748|4.098295|3.582166|3.114364|3.013599|3.492857|2.318550|4.161054|2.010439|1.839648|4.223013|1.643552|1.585708|1.686474|1.898019|4.513655|3.305019|3.879078|8.927038|5.100193|3.750782|3.015544|0.041763|0.047024|0.045259|0.044384|0.045799|0.041232|0.056507|0.055594|0.058583|0.058310|0.075328|0.075388|0.114213|0.500000|
|1.524935|2.150556|1.438449|1.730328|1.975522|2.218784|4.598877|3.005463|2.917943|4.718336|4.507179|3.831058|6.890688|5.550143|12.971544|8.990634|17.739766|8.903391|5.628325|5.731401|3.280790|5.392284|2.764619|2.685555|6.830819|2.285815|2.049356|2.074991|2.364668|5.186088|4.943343|5.698035|9.658409|4.259876|3.733459|3.785672|0.039700|0.045024|0.041009|0.038572|0.040445|0.037782|0.048099|0.046574|0.054338|0.055888|0.061728|0.059038|0.071038|0.095864|0.500000|
|1.283184|1.792353|1.215887|1.421173|1.583512|1.739198|3.484086|2.201278|2.175895|3.412305|3.406757|2.894714|4.846754|3.542677|7.503867|5.669479|8.955092|17.714093|8.888931|10.013306|4.836705|7.118597|4.043980|4.005793|10.755585|3.210373|2.756278|2.755770|3.220459|6.745376|5.634920|4.999479|8.350029|2.869402|2.580305|2.627721|0.033731|0.037599|0.034773|0.032839|0.034088|0.032195|0.039439|0.038613|0.043863|0.044511|0.048240|0.047028|0.054873|0.077399|0.215262|0.500000|
|1.151299|1.595449|1.090524|1.257873|1.382648|1.504659|2.962713|1.846701|1.843053|2.849140|2.895273|2.442896|3.925464|2.789225|5.639804|4.093808|4.937360|7.682968|9.365890|26.097699|9.476108|10.897374|7.685617|7.106178|18.264202|4.849540|3.995210|4.069789|5.169086|10.062544|5.756486|4.318009|7.659205|2.323635|2.108673|2.135292|0.030374|0.033586|0.031450|0.029667|0.030453|0.028967|0.034788|0.034500|0.038552|0.038517|0.041494|0.041243|0.047262|0.067258|0.116543|0.235460|0.500000|
|0.925792|1.272129|0.879596|0.983859|1.062088|1.125440|2.166290|1.304167|1.292158|1.915064|1.930505|1.552762|2.340983|1.695700|3.293269|2.125702|2.344118|2.810122|3.012031|5.158486|4.075802|6.074340|5.619085|8.980153|16.872150|17.756865|8.832733|5.618859|4.976465|8.330736|2.583561|2.212881|4.440223|1.516408|1.435999|1.475080|0.024739|0.026848|0.025331|0.023974|0.024489|0.023629|0.027155|0.027009|0.029723|0.029687|0.031004|0.030873|0.033843|0.043056|0.061170|0.084666|0.118190|0.500000|
|0.860559|1.182382|0.822266|0.914930|0.979456|1.038764|1.979875|1.191336|1.193197|1.764641|1.800724|1.446485|2.142897|1.528612|2.902751|1.850276|1.980202|2.311033|2.532628|4.238421|3.542271|5.609961|4.920777|5.694009|9.641181|8.942648|17.734293|8.941565|5.683423|9.658189|2.275380|1.960373|4.036547|1.375053|1.295479|1.311663|0.022999|0.024835|0.023664|0.022521|0.022898|0.022079|0.025288|0.025255|0.027389|0.027218|0.028647|0.028706|0.031527|0.040653|0.051511|0.067332|0.091736|0.212696|0.500000|
|0.887864|1.220358|0.849066|0.949946|1.015518|1.084845|2.063926|1.251175|1.265703|1.886072|1.948224|1.579362|2.331237|1.635710|3.070533|1.969789|2.057997|2.394744|2.736047|4.596520|4.112876|6.837823|5.624980|4.992822|8.329802|5.621374|8.841275|17.756377|8.990886|16.934231|2.538445|2.148592|4.479391|1.459468|1.358232|1.357313|0.023636|0.025587|0.024529|0.023353|0.023635|0.022712|0.026256|0.026370|0.028411|0.028024|0.029882|0.030209|0.033514|0.044889|0.052573|0.067476|0.094123|0.123152|0.212994|0.500000|
|1.315584|1.806577|1.223537|1.445516|1.603131|1.773724|3.534609|2.251391|2.258414|3.577894|3.634001|3.133564|5.230337|3.701264|7.514502|5.654284|4.951357|5.625973|8.835735|9.453525|6.818498|15.089569|4.441765|3.606337|8.212365|2.885126|2.696422|2.981517|3.794710|9.133966|17.836235|8.998244|16.792999|2.968204|2.619593|2.604219|0.034303|0.038591|0.036357|0.033583|0.033871|0.032221|0.039521|0.040247|0.045345|0.043731|0.047925|0.049672|0.057137|0.084736|0.107530|0.123542|0.142494|0.071663|0.065051|0.075116|0.500000|
|2.677856|3.636265|2.238544|3.030060|3.971044|4.448163|11.523978|6.628225|4.640644|6.050822|4.660841|3.212939|4.800539|4.567495|8.505110|3.665752|3.139268|2.607476|2.452050|2.841623|1.916119|3.475500|1.678100|1.617646|3.910500|1.451534|1.356581|1.386675|1.531078|3.471446|2.680637|3.271315|7.859705|5.740452|8.912916|17.558986|0.066619|0.084926|0.071266|0.059443|0.060529|0.057651|0.078173|0.080905|0.120256|0.109439|0.106549|0.113933|0.104816|0.075704|0.088762|0.065627|0.055113|0.039198|0.035075|0.036361|0.068635|0.500000|
|2.553671|3.592069|2.228227|2.966113|3.874655|4.345262|11.168879|6.516202|4.610135|6.064218|4.677122|3.236081|4.858632|4.640001|8.708498|3.724267|3.373183|2.737462|2.469622|2.861994|1.893818|3.364166|1.673182|1.631509|3.981760|1.466786|1.362133|1.381226|1.518237|3.410238|2.597575|3.127458|7.060326|5.796403|8.897020|17.547446|0.064389|0.079761|0.066359|0.058102|0.061484|0.057620|0.079038|0.076507|0.109338|0.114429|0.111554|0.104720|0.104058|0.076182|0.100981|0.070179|0.056472|0.039855|0.035270|0.036103|0.065165|0.302911|0.500000|
|2.186684|3.023478|1.921671|2.487002|3.086943|3.512170|8.410205|5.508501|4.321259|6.344986|4.993291|3.652569|5.929052|6.142139|13.458614|5.232056|4.361245|3.396201|3.080914|3.441927|2.255585|4.041094|1.941506|1.872121|4.594016|1.654644|1.528421|1.559378|1.739862|3.917657|3.346623|4.268901|9.683070|6.848292|8.878454|17.638632|0.055495|0.067322|0.058323|0.051125|0.052836|0.049878|0.066361|0.066428|0.088755|0.086808|0.090363|0.090928|0.096795|0.084767|0.124816|0.083657|0.066635|0.044594|0.039202|0.040503|0.082307|0.301253|0.301172|0.500000|
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