Version2.1
2020-12-28T10:01:10Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
19-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE C=CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)F)F)CCCOc3ccc(cc3Cl)Cl C39750151
RHF
6-31G(d)
(6D,7F)
C=CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)F)F)CCCOc3ccc(cc3Cl)Cl
C01[X(C22H20Cl2F2N4O2S1)]
153
C1
547
C=CCn1c(CCCOc2ccc(cc2Cl)Cl)nnc1SCC(=O)Nc1ccc(c(c1)F)F
C=CCn1c(CCCOc2ccc(cc2Cl)Cl)nnc1SCC(=O)Nc1ccc(c(c1)F)F
Fc1ccc(NC(=O)CSc2nnc(CCCOc3ccc(Cl)cc3Cl)n2CC=C)cc1F
InChIKey=IPGWQICOPUHBFC-UHFFFAOYSA-N
InChI=1S/C22H20Cl2F2N4O2S/c1-2-9-30-20(4-3-10-32-19-8-5-14(23)11-16(19)24)28-29-22(30)33-13-21(31)27-15-6-7-17(25)18(26)12-15/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,27,31)
InChI=1/C22H20Cl2F2N4O2S/c1-2-9-30-20(4-3-10-32-19-8-5-14(23)11-16(19)24)28-29-22(30)33-13-21(31)27-15-6-7-17(25)18(26)12-15/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,27,31)/f/h27H
C=CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)F)F)CCCOc3ccc(cc3Cl)Cl
C01[X(C22H20Cl2F2N4O2S1)]
153
C01
547
C=CCn1c(CCCOc2ccc(cc2Cl)Cl)nnc1SCC(=O)Nc1ccc(c(c1)F)F
C=CCN1C(=[N][N][C]1SCC(=O)N[C]1[CH][CH][C]([C]([CH]1)F)F)CCCO[C]1[CH][CH][C]([CH][C]1Cl)Cl
F[C]1[CH][CH][C]([CH][C]1F)NC(=O)CS[C]2[N]N=C(CCCO[C]3[CH][CH][C](Cl)[CH][C]3Cl)N2CC=C
InChIKey=IPGWQICOPUHBFC-UHFFFAOYSA-N
InChI=1S/C22H20Cl2F2N4O2S/c1-2-9-30-20(4-3-10-32-19-8-5-14(23)11-16(19)24)28-29-22(30)33-13-21(31)27-15-6-7-17(25)18(26)12-15/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,27,31)
InChI=1/C22H20Cl2F2N4O2S/c1-2-9-30-20(4-3-10-32-19-8-5-14(23)11-16(19)24)28-29-22(30)33-13-21(31)27-15-6-7-17(25)18(26)12-15/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,27,31)/f/h27H
3376.8561804234
-2727.5644829
1-A
46099.1915
132
415
547
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11.73536
-2.9915 4.2289 0.4036
5.1957
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-267.5654 -206.2845 -216.0378 -12.6219 -7.8324 0.3789
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-37.6028 23.6781 13.9248 -12.6219 -7.8324 0.3789
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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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
5.8110 9.9683 12.1130 16.3034 25.6041 29.1815 36.9492 45.8284 50.9296 53.6073 69.7202 82.6225 88.6885 111.1699 119.6588 128.0036 143.9329 155.0081 166.3382 182.8200 184.9905 193.4352 199.4714 229.1930 245.5475 263.6520 282.6703 300.9036 310.5357 323.2564 341.7148 381.2135 388.1940 395.6961 417.6128 421.8452 438.1665 443.8342 491.3194 500.4370 508.4395 512.2486 532.7412 537.2906 554.2791 596.1980 605.6555 628.4647 634.9328 638.4706 647.5747 688.0252 718.6069 755.3178 758.9180 769.1264 782.5413 797.3390 816.3959 819.5963 831.5394 841.6939 859.4144 872.8971 915.2896 924.0684 930.5734 944.5515 960.9284 967.0221 1003.2556 1020.3146 1023.4140 1023.4798 1034.2290 1074.2025 1084.6031 1090.7031 1102.9312 1104.6403 1114.4139 1137.6822 1158.9525 1171.3986 1193.8790 1202.5348 1207.0200 1215.7059 1224.5173 1242.3649 1243.4834 1259.3436 1279.6109 1287.4129 1303.5520 1325.9602 1342.4311 1348.9600 1359.2697 1381.8835 1400.9479 1412.6966 1414.7629 1431.0505 1440.2495 1440.5262 1451.4741 1459.8985 1491.7142 1504.8136 1522.4352 1543.3424 1545.4232 1571.5583 1572.9249 1592.1884 1601.1926 1603.6296 1629.9598 1647.9845 1648.6096 1664.2700 1682.3866 1689.5941 1709.0722 1743.8112 1768.0797 1770.8035 1797.2289 1819.1301 1838.3440 1880.5573 1975.6569 3199.1377 3214.5661 3232.4313 3242.9080 3261.9990 3265.2559 3271.1167 3291.7562 3305.6892 3317.3789 3334.0068 3347.2498 3381.8953 3398.9449 3400.1648 3417.3737 3418.5491 3420.5601 3473.2636 3866.0701
12.2190 12.3619 7.1144 5.8575 8.3853 7.4477 6.7220 5.5728 10.1146 4.4931 6.3976 4.2851 2.9599 5.9855 3.8264 3.6814 2.8441 3.8919 4.0118 6.3642 6.8852 5.5508 5.8590 8.9275 6.7713 6.1315 3.2433 12.7569 6.1167 8.5115 8.2688 5.7805 7.0628 3.1300 5.8179 9.4241 5.6107 3.2887 7.1416 3.3044 2.9539 5.9667 3.6685 6.9031 1.3112 7.2529 5.7010 3.7509 7.6858 2.1067 1.8251 4.6689 7.8808 3.9766 7.1312 6.7909 8.2680 4.0289 1.5346 3.7591 2.9559 6.0001 6.3107 3.8453 5.4127 1.4692 6.9565 1.3588 1.3140 1.5342 1.6225 1.9473 1.5172 3.8293 2.5562 1.3429 3.5063 1.3098 1.5059 2.3189 2.4368 1.4692 3.7157 3.5112 2.0328 5.8398 3.0851 3.0903 3.9695 4.0027 2.1244 2.1217 2.2328 1.5653 1.1137 1.5744 2.4182 2.4691 2.1577 1.5529 1.5134 1.3903 1.7094 1.2575 2.4443 1.4068 1.0760 3.9541 1.7285 1.5355 1.5468 2.5287 3.3551 3.2892 3.1794 1.5171 1.2332 1.1252 1.1444 1.1102 1.1044 1.9670 1.3175 8.7188 3.2395 2.2159 7.0720 9.4808 5.8932 5.6191 6.7989 4.2305 9.2095 1.0574 1.0682 1.0695 1.1019 1.0608 1.0599 1.0971 1.1046 1.1061 1.1066 1.0648 1.0922 1.0932 1.0910 1.0934 1.0942 1.0946 1.1168 1.0937 1.0784
0.0002 0.0007 0.0006 0.0009 0.0032 0.0037 0.0054 0.0069 0.0155 0.0076 0.0183 0.0172 0.0137 0.0436 0.0323 0.0355 0.0347 0.0551 0.0654 0.1253 0.1388 0.1224 0.1374 0.2763 0.2405 0.2511 0.1527 0.6805 0.3475 0.5240 0.5689 0.4949 0.6271 0.2888 0.5978 0.9881 0.6347 0.3817 1.0157 0.4876 0.4499 0.9225 0.6134 1.1741 0.2374 1.5190 1.2321 0.8729 1.8255 0.5060 0.4509 1.3022 2.3977 1.3367 2.4199 2.3668 2.9831 1.5091 0.6026 1.4878 1.2042 2.5045 2.7462 1.7262 2.6717 0.7391 3.5493 0.7143 0.7149 0.8453 0.9622 1.1944 0.9363 2.3633 1.6109 0.9130 2.4302 0.9181 1.0793 1.6672 1.7830 1.1204 2.9405 2.8387 1.7071 4.9756 2.6482 2.6910 3.5068 3.6400 1.9354 1.9825 2.1540 1.5285 1.1150 1.6309 2.5676 2.6472 2.3488 1.7472 1.7501 1.6348 2.0158 1.5173 2.9873 1.7200 1.3356 4.9652 2.2661 2.0486 2.1123 3.5488 4.7212 4.7864 4.6346 2.2660 1.8629 1.7049 1.7913 1.7764 1.7685 3.2099 2.1972 14.6646 5.5751 3.9700 13.0255 17.5161 11.2152 10.9558 13.5376 8.8149 21.1792 6.3761 6.5033 6.5842 6.8276 6.6507 6.6582 6.9162 7.0519 7.1218 7.1749 6.9734 7.2100 7.3669 7.4259 7.4475 7.5290 7.5371 7.6990 7.7735 9.4964
0.0907 0.0296 0.1588 0.4701 0.1688 0.4812 7.8247 2.6769 0.1840 1.2647 0.1298 0.3109 9.6138 1.9938 0.2074 7.3244 2.5745 4.4475 2.7571 1.6583 0.6818 0.1116 2.0185 0.3546 4.4011 0.1532 0.3818 0.9599 1.3614 2.0211 8.2535 1.5226 0.3931 2.3328 2.1366 4.4008 3.2191 4.1177 1.4649 1.8880 0.0661 4.7374 7.0762 7.9198 100.4268 28.8584 1.5412 4.2302 11.1538 0.2899 6.8448 1.2405 17.8107 0.2516 12.8667 0.7220 5.2706 3.8417 21.6231 69.2858 10.2943 20.0448 30.8613 25.8417 13.4807 44.6223 7.9291 6.3407 3.1633 93.8280 6.2420 9.3992 20.7214 9.0595 4.1103 0.2952 2.8595 0.0203 47.2762 11.1189 16.4523 8.0246 11.9470 6.5980 6.9857 163.1796 0.4039 14.1797 8.4681 38.2384 24.7486 26.1730 63.2867 12.3053 0.3507 2.7050 178.1532 211.0292 150.1206 9.4635 30.9396 8.2434 84.3053 12.6106 364.8504 78.0844 0.4559 1.9048 41.0827 51.2997 13.3503 27.7318 38.0071 73.4825 118.4013 102.0193 12.0859 38.1234 13.3312 7.6217 4.7589 321.3378 75.6954 151.0492 811.7821 107.6739 6.2714 53.4770 29.4821 144.4576 40.5756 0.7495 195.1514 18.9655 33.0685 13.8143 31.0145 17.5814 17.0583 2.6275 47.1595 13.3588 0.3644 15.4206 4.7292 3.1655 5.2999 3.7717 4.3214 3.6594 14.0078 4.7145 36.1679
1.2848 2.4744 6.6941 3.1576 0.4307 0.9677 0.5368 1.0364 0.0408 0.4979 1.1145 5.1905 2.1855 2.0916 0.2920 0.4434 1.9381 2.6824 0.5901 1.5174 0.4955 1.8988 1.5036 1.8168 0.6420 1.4432 1.1745 0.5840 2.5484 1.4563 0.8592 0.8124 1.8518 1.8824 3.9308 4.2988 4.9546 3.6396 1.5417 0.2937 0.1870 0.7317 1.0520 3.8186 1.6703 2.1458 0.7844 0.4186 3.9035 0.1737 8.8281 1.4337 9.5497 1.6511 6.8466 1.0013 1.4963 0.6612 1.1692 4.3313 3.0499 20.3381 20.2426 2.4383 17.5580 0.9664 15.1872 2.8427 1.2034 0.5631 2.9417 1.8838 2.1337 12.5552 5.9952 1.0270 0.9602 1.4414 3.3528 7.2949 5.7724 5.8125 6.5986 20.4013 1.4714 2.9658 5.6327 10.1023 13.7114 16.1313 7.9418 2.0084 9.3466 1.2202 10.5329 4.2469 3.8511 2.5988 7.0655 3.0843 1.7824 2.2722 2.1331 2.8337 7.1295 16.8370 27.8592 16.8973 18.3162 11.3992 3.5895 13.0376 0.4684 22.9019 0.6215 7.1953 14.0219 9.1959 17.2135 22.7687 4.7102 8.2954 5.4258 49.0483 16.7581 4.1349 9.2157 44.8746 56.2005 7.1162 75.9668 31.6522 20.5705 37.7221 100.0576 49.8034 36.1378 126.1751 52.9649 58.8663 7.0398 68.6224 31.7125 29.8613 104.6115 58.9544 57.4426 110.1117 20.4681 164.2079 79.2517 43.4302 46.7742
0.7498 0.7496 0.7499 0.7499 0.7393 0.7435 0.7371 0.7493 0.6571 0.7299 0.5003 0.7437 0.7390 0.3937 0.5383 0.7058 0.7000 0.6335 0.7227 0.7418 0.7341 0.7500 0.7484 0.4480 0.5414 0.7490 0.6823 0.5740 0.3034 0.3345 0.5718 0.5893 0.7494 0.6808 0.7497 0.3266 0.4572 0.0616 0.5822 0.7500 0.7500 0.7458 0.5158 0.3511 0.7477 0.7487 0.5259 0.7497 0.5080 0.6507 0.6749 0.7465 0.2891 0.7475 0.6305 0.7433 0.4921 0.7491 0.5157 0.2530 0.7488 0.2266 0.1135 0.7056 0.2509 0.7445 0.1165 0.7500 0.3510 0.7496 0.4890 0.5979 0.3235 0.1564 0.1582 0.7494 0.6319 0.7498 0.5745 0.2927 0.4431 0.6680 0.4355 0.1909 0.7452 0.6493 0.4589 0.5646 0.4332 0.2324 0.1226 0.7499 0.3193 0.4245 0.7459 0.5429 0.2352 0.7008 0.3027 0.7437 0.2176 0.2274 0.5631 0.4795 0.5734 0.2099 0.7238 0.0865 0.2777 0.3332 0.7400 0.7310 0.3209 0.3225 0.5014 0.6636 0.3718 0.4905 0.7439 0.4523 0.6793 0.3826 0.7383 0.2638 0.5251 0.3726 0.3764 0.2544 0.5490 0.6514 0.4553 0.1707 0.2175 0.0616 0.1093 0.2921 0.7170 0.0659 0.0374 0.6522 0.0825 0.6596 0.7351 0.2951 0.1460 0.2748 0.6110 0.3197 0.2312 0.1932 0.5723 0.1982 0.1389
0.8570 0.8568 0.8571 0.8571 0.8501 0.8529 0.8487 0.8567 0.7931 0.8439 0.6669 0.8530 0.8499 0.5650 0.6999 0.8276 0.8235 0.7756 0.8390 0.8518 0.8466 0.8571 0.8561 0.6188 0.7025 0.8565 0.8112 0.7294 0.4656 0.5014 0.7276 0.7416 0.8567 0.8101 0.8569 0.4924 0.6275 0.1160 0.7359 0.8571 0.8571 0.8544 0.6806 0.5198 0.8556 0.8563 0.6893 0.8570 0.6738 0.7884 0.8059 0.8548 0.4486 0.8555 0.7734 0.8528 0.6596 0.8566 0.6805 0.4038 0.8564 0.3695 0.2039 0.8274 0.4011 0.8535 0.2086 0.8571 0.5196 0.8569 0.6568 0.7483 0.4888 0.2704 0.2732 0.8567 0.7744 0.8570 0.7297 0.4529 0.6141 0.8010 0.6067 0.3205 0.8540 0.7873 0.6291 0.7217 0.6045 0.3771 0.2184 0.8571 0.4840 0.5960 0.8544 0.7038 0.3808 0.8241 0.4648 0.8530 0.3574 0.3706 0.7205 0.6482 0.7289 0.3470 0.8397 0.1593 0.4346 0.4998 0.8506 0.8446 0.4859 0.4877 0.6679 0.7978 0.5421 0.6582 0.8531 0.6229 0.8090 0.5534 0.8494 0.4174 0.6886 0.5429 0.5469 0.4056 0.7089 0.7889 0.6258 0.2916 0.3573 0.1160 0.1971 0.4522 0.8352 0.1236 0.0720 0.7895 0.1524 0.7949 0.8473 0.4557 0.2549 0.4311 0.7585 0.4845 0.3755 0.3238 0.7280 0.3308 0.2439
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
6 6 6 7 6 7 7 6 16 6 6 8 7 6 6 6 6 6 6 9 9 6 6 6 8 6 6 6 6 6 6 17 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 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
6848.7109 85103.4670 88213.9493
1.00000 -0.00035 -0.00264 0.00031 0.99983 -0.01854 0.00264 0.01854 0.99982
1
0.01265 0.00102 0.00098
0.26352 0.02121 0.02046
8.36 14.34 17.43 23.46 36.84 41.99 53.16 65.94 73.28 77.13 100.31 118.88 127.60 159.95 172.16 184.17 207.09 223.02 239.32 263.04 266.16 278.31 286.99 329.76 353.29 379.34 406.70 432.93 446.79 465.09 491.65 548.48 558.52 569.32 600.85 606.94 630.42 638.58 706.90 720.02 731.53 737.01 766.50 773.04 797.48 857.80 871.40 904.22 913.53 918.62 931.72 989.91 1033.92 1086.73 1091.91 1106.60 1125.90 1147.19 1174.61 1179.22 1196.40 1211.01 1236.51 1255.90 1316.90 1329.53 1338.89 1359.00 1382.56 1391.33 1443.46 1468.01 1472.46 1472.56 1488.02 1545.54 1560.50 1569.28 1586.87 1589.33 1603.39 1636.87 1667.47 1685.38 1717.73 1730.18 1736.63 1749.13 1761.81 1787.49 1789.10 1811.91 1841.07 1852.30 1875.52 1907.76 1931.46 1940.85 1955.69 1988.22 2015.65 2032.56 2035.53 2058.96 2072.20 2072.60 2088.35 2100.47 2146.24 2165.09 2190.44 2220.53 2223.52 2261.12 2263.09 2290.80 2303.76 2307.27 2345.15 2371.08 2371.98 2394.51 2420.58 2430.95 2458.97 2508.96 2543.87 2547.79 2585.81 2617.32 2644.97 2705.70 2842.53 4602.85 4625.04 4650.75 4665.82 4693.29 4697.97 4706.41 4736.10 4756.15 4772.97 4796.89 4815.95 4865.79 4890.32 4892.08 4916.84 4918.53 4921.42 4997.25 5562.41
0.424939
0.455200
0.456144
0.353639
-2727.139543
-2727.109283
-2727.108339
-2727.210844
3.438035D-04
MUNgauss
RevisionA2.0
retrievium
28-Dec-2020
DUDE C=CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)F)F)CCCOc3ccc(cc3Cl)Cl C39750151
RHF
6-31G(d)
(6D,10F)
C1
512.065210
|X|Y|Z|
52.853358 34.163937 205.276670
71.833446
25
|36.858105|
|14.462306|36.858105|
|7.642323|12.653042|36.858105|
|5.368064|7.716168|13.065509|53.358707|
|4.081793|5.545497|7.472492|18.943555|36.858105|
|3.439634|4.330210|5.305125|11.923601|14.872844|53.358707|
|3.631080|4.395226|5.310270|11.909383|8.896672|18.996261|53.358707|
|4.654548|5.787171|7.528559|19.052679|8.886715|12.152227|20.216178|36.858105|
|4.863631|5.175142|5.911049|9.439626|4.946177|6.725205|9.522681|10.826002|388.023441|
|3.358215|3.542200|3.929380|6.486638|4.040244|6.157672|9.088028|7.121961|74.786408|36.858105|
|3.004247|3.009823|3.209304|4.877476|3.088122|4.527895|5.934724|4.687614|49.722559|12.542054|36.858105|
|3.193575|3.077069|3.213509|4.634378|2.870504|4.051223|5.103162|4.236067|47.445767|7.982775|15.934419|73.516695|
|2.487313|2.509938|2.661181|4.057537|2.692973|4.030294|5.095160|3.757100|34.101076|7.949729|13.994419|14.933492|53.358707|
|2.180231|2.164776|2.260092|3.347493|2.248337|3.306736|3.990830|2.956208|25.950824|5.049403|7.628646|11.565590|18.408593|36.858105|
|2.165849|2.103330|2.167086|3.117455|2.069509|2.972116|3.521421|2.684923|24.050715|4.211618|6.273132|11.689827|10.500340|13.713841|36.858105|
|1.889962|1.831802|1.875141|2.671851|1.799591|2.572801|2.973994|2.246325|19.310365|3.233560|4.311076|7.980541|6.975171|7.942053|13.729291|36.858105|
|1.706734|1.673938|1.719155|2.472783|1.694043|2.444777|2.798101|2.070264|17.181736|2.913546|3.677315|6.431320|6.202160|6.866826|7.937744|13.874542|36.858105|
|1.714651|1.705119|1.765137|2.583631|1.788200|2.621071|3.017087|2.187832|17.846025|3.153570|3.904790|6.419438|7.099965|7.955067|6.898092|8.015605|13.823450|36.858105|
|1.908015|1.913205|1.997576|2.973436|2.048793|3.042751|3.586953|2.580551|21.313365|4.025009|5.157852|7.891839|10.878296|13.675119|7.927487|6.907349|7.962620|13.873074|36.858105|
|1.550513|1.551437|1.605940|2.354367|1.653478|2.431103|2.752690|1.970369|15.593836|2.704666|3.165719|5.190963|5.499553|5.289415|4.663825|5.319192|8.164576|14.399085|8.170576|97.533100|
|1.538845|1.506168|1.539778|2.196760|1.515368|2.173849|2.448323|1.810077|14.749502|2.422605|2.934076|5.200989|4.709142|4.646048|5.268796|8.109573|14.364978|8.153809|5.299012|15.978451|97.533100|
|3.635316|4.845565|6.039828|10.170686|12.716178|10.548486|7.215631|5.283317|25.809446|3.069164|2.490050|4.195730|3.027034|1.911797|1.782942|1.578694|1.495772|1.569558|1.767254|3.300304|3.048216|36.858105|
|3.152866|3.957933|5.118032|7.754723|7.535228|7.696655|5.858607|4.336154|22.849879|2.776752|2.305625|3.909754|2.829568|1.807523|1.694038|1.510347|1.434534|1.501607|1.679450|3.168913|2.936903|12.407827|36.858105|
|2.714991|3.283555|3.880660|5.483602|4.926203|5.540645|4.434891|3.256970|18.332152|2.278260|1.949759|3.335696|2.429628|1.580652|1.493004|1.348292|1.287555|1.342569|1.483483|2.855684|2.660450|7.542671|12.543991|36.858105|
|2.419459|2.826152|3.347393|4.624620|3.902486|4.597038|3.863425|2.853250|16.705491|2.105957|1.832109|3.148610|2.298664|1.508955|1.431325|1.299948|1.243708|1.293683|1.421378|2.759000|2.579889|5.107315|8.094065|13.553304|73.516695|
|2.127421|2.426888|2.762606|3.761608|3.099386|3.759183|3.235138|2.382849|14.367995|1.834603|1.623199|2.802932|2.055154|1.364621|1.300964|1.191690|1.144328|1.186968|1.293517|2.544483|2.388988|3.893040|5.242043|7.987143|25.291120|36.858105|
|2.026193|2.301395|2.532084|3.441365|2.844440|3.477041|2.991201|2.192537|13.288799|1.702513|1.513650|2.617004|1.923698|1.282803|1.224907|1.126277|1.083766|1.123272|1.219877|2.414831|2.269491|3.599594|4.400295|6.698213|14.032628|13.736731|36.858105|
|1.789084|1.992231|2.153545|2.910082|2.356609|2.936190|2.580089|1.891367|11.715429|1.516067|1.365117|2.368365|1.746633|1.175058|1.126552|1.042817|1.006313|1.040449|1.122588|2.245471|2.118174|2.855456|3.337935|4.503332|9.242103|7.896705|13.734782|36.858105|
|1.669238|1.837086|1.997953|2.691176|2.145641|2.697409|2.407014|1.769357|11.113494|1.446972|1.312787|2.282472|1.685176|1.139158|1.094824|1.016809|0.982250|1.013902|1.090282|2.191264|2.072544|2.523502|2.979404|3.787628|8.220415|6.845752|7.967133|13.840632|36.858105|
|1.721671|1.895579|2.101381|2.830473|2.243975|2.817095|2.524008|1.861443|11.702696|1.523131|1.380433|2.399483|1.769139|1.193873|1.146811|1.063051|1.025622|1.058896|1.140605|2.284472|2.160316|2.612121|3.195550|3.969352|9.386775|7.884591|6.886940|7.952308|13.756539|36.858105|
|1.928543|2.154346|2.446084|3.308500|2.649890|3.280860|2.902141|2.144285|13.258758|1.711121|1.533440|2.657191|1.952480|1.306520|1.250269|1.151199|1.107353|1.145904|1.242306|2.462145|2.320286|3.142060|4.082107|5.230790|14.507676|13.638612|7.971963|6.901323|7.979770|13.826439|36.858105|
|1.945795|2.156242|2.507187|3.396231|2.661321|3.323189|2.999361|2.229948|13.956725|1.809013|1.626021|2.818851|2.069058|1.384150|1.324850|1.217940|1.169807|1.210084|1.313452|2.594116|2.446791|3.012680|3.970455|4.449542|11.720143|7.011718|4.769481|4.237086|4.786874|7.085011|10.974904|448.794386|
|1.463277|1.586493|1.697474|2.282130|1.796651|2.288579|2.073567|1.523448|9.730440|1.277964|1.172389|2.044315|1.514389|1.032272|0.995894|0.931113|0.902109|0.928889|0.992422|2.015351|1.913516|2.059229|2.343203|2.825161|5.778168|4.210424|4.763513|7.032008|10.937271|7.039303|4.776744|28.416222|448.794386|
|17.725635|9.114880|5.481194|5.850222|3.497697|4.131136|4.322337|3.871225|28.836107|2.991087|2.740618|5.189428|3.146603|2.057295|2.057799|1.814777|1.642849|1.643464|1.813194|3.356066|3.353388|3.203452|2.775429|2.461758|3.907131|1.965469|1.900219|1.695177|1.578683|1.613005|1.785613|14.308962|11.216888|0.500000|
|17.699799|9.086298|6.932712|6.711238|3.716707|4.354113|4.706498|4.470514|36.279166|3.456799|3.174821|6.183405|3.525814|2.280669|2.297001|1.995509|1.782476|1.775909|1.973273|3.588367|3.608474|3.282771|2.968374|2.550410|4.139718|2.051461|1.932119|1.716420|1.620115|1.685946|1.887627|15.556310|11.439365|0.289240|0.500000|
|9.159459|17.671684|8.652907|9.340488|5.662914|6.016688|5.811566|5.215963|31.261754|3.240029|2.748589|4.906744|3.192768|2.033756|1.962004|1.723086|1.590237|1.628272|1.821603|3.359822|3.233516|5.222749|4.003184|3.404060|5.059531|2.460647|2.380039|2.053393|1.867759|1.902392|2.151966|16.917067|12.945437|0.218615|0.173471|0.500000|
|6.028814|8.909558|17.614105|12.613814|7.123500|6.667759|6.167883|5.718319|32.081410|3.302390|2.759099|4.891763|3.202229|2.030310|1.949916|1.710530|1.581613|1.624115|1.821049|3.354890|3.213747|6.920322|6.288260|4.705127|7.101836|3.217873|2.911484|2.429648|2.238504|2.364127|2.797703|22.807529|15.017013|0.129932|0.153693|0.204780|0.500000|
|7.255104|8.890459|17.608299|12.512718|5.758258|6.182298|6.597721|6.947738|46.451564|4.142483|3.459818|6.313295|3.827396|2.389694|2.316001|1.990772|1.806362|1.841516|2.084603|3.740370|3.628180|4.719866|4.385344|3.412275|5.492970|2.581146|2.339256|2.017667|1.903201|2.023122|2.345358|19.818531|13.080801|0.143083|0.217690|0.171765|0.304188|0.500000|
|3.206902|3.428061|3.677613|6.219707|4.070751|6.493473|9.748054|6.752422|56.483063|17.618677|8.854565|10.932308|9.730609|4.732489|3.871932|3.053481|2.818211|3.103795|3.964915|6.088355|5.307665|3.088164|2.721100|2.252145|3.655965|1.799234|1.686694|1.502655|1.425608|1.489320|1.666641|13.956747|10.126849|0.081038|0.088830|0.090094|0.086743|0.102933|0.500000|
|3.036233|3.263157|3.773438|6.355032|4.118445|6.448373|9.408296|6.765754|56.407198|17.606944|8.864082|10.999492|9.659557|4.716513|3.871555|3.052714|2.813978|3.093867|3.945367|6.066611|5.301465|3.135592|2.914624|2.367757|3.931809|1.915105|1.759243|1.563098|1.498498|1.588901|1.794652|15.417813|10.585944|0.074843|0.086918|0.083364|0.090630|0.110871|0.303431|0.500000|
|2.378780|2.447763|2.618453|4.093233|2.786759|4.289207|5.453905|3.821942|32.164758|7.817651|9.475341|10.882426|26.053468|9.339608|5.742280|4.292187|4.094025|4.951401|7.690312|9.127679|7.202936|2.291606|2.136945|1.830958|3.071782|1.542267|1.443889|1.308805|1.260781|1.322937|1.461868|12.414900|9.081584|0.061423|0.067826|0.064337|0.064802|0.075625|0.216375|0.212861|0.500000|
|2.385868|2.281569|2.338641|3.313684|2.158552|3.056392|3.635585|2.848719|26.617497|4.435896|6.849891|15.132094|9.505200|8.907759|17.840984|8.932162|5.663315|4.974723|5.643873|8.319031|9.571330|1.853429|1.757940|1.543914|2.627523|1.340039|1.260042|1.156554|1.123027|1.177188|1.286010|10.945434|8.183750|0.062763|0.071307|0.058421|0.057941|0.070302|0.109880|0.110086|0.142979|0.500000|
|1.843083|1.767611|1.796369|2.522311|1.693950|2.394658|2.738810|2.089890|17.942794|2.878756|3.730883|7.201101|5.632608|5.642630|8.894748|17.740574|9.020853|5.696829|4.971787|9.650087|16.609260|1.498756|1.438228|1.291096|2.218690|1.148338|1.086939|1.009350|0.985716|1.029781|1.111928|9.437690|7.267123|0.049428|0.054347|0.046103|0.045675|0.053139|0.075309|0.075356|0.097965|0.214617|0.500000|
|1.869330|1.899741|1.996382|3.018583|2.112675|3.189869|3.756144|2.631473|21.004231|4.052167|4.797980|7.058907|9.927086|8.814310|5.620280|4.971030|5.682207|9.038728|17.723921|16.828944|9.648283|1.819089|1.726307|1.523071|2.589595|1.324016|1.248874|1.147725|1.113215|1.164102|1.269245|10.757172|8.123366|0.049260|0.053213|0.050614|0.050754|0.057320|0.114397|0.113570|0.233130|0.123538|0.107868|0.500000|
|3.143395|4.015214|4.615804|7.750091|9.164811|10.132820|6.704598|4.553864|22.940076|2.861460|2.338246|3.903308|2.896008|1.838536|1.704430|1.518208|1.450557|1.530557|1.719850|3.242225|2.964767|17.587524|8.828662|6.924395|8.381595|3.753459|3.601587|2.872717|2.505723|2.549078|3.015332|22.679565|16.512136|0.079299|0.078940|0.123430|0.138978|0.105022|0.081884|0.081308|0.061532|0.048788|0.039948|0.049545|0.500000|
|4.073945|5.629806|6.487876|9.337544|8.926325|7.981024|6.135502|4.765731|24.697192|2.857611|2.368078|4.060773|2.863004|1.825269|1.722504|1.530517|1.443728|1.502839|1.680754|3.155212|2.952545|17.531463|8.786573|6.869252|8.384381|3.751190|3.584249|2.863023|2.503918|2.552722|3.022372|22.804629|16.501190|0.100279|0.098880|0.179450|0.217816|0.134519|0.079769|0.079206|0.059520|0.050052|0.040615|0.047684|0.303256|0.500000|
|3.424505|4.283159|5.909647|8.148437|6.767099|6.812863|5.626307|4.429614|24.108190|2.837834|2.376316|4.084211|2.879898|1.842159|1.741514|1.548908|1.460577|1.518648|1.696236|3.186910|2.987840|8.758134|17.557972|8.950539|13.307497|4.972022|4.056892|3.161304|2.897664|3.173436|4.075241|33.552138|18.415314|0.081962|0.091249|0.114815|0.219255|0.144567|0.075504|0.082617|0.059731|0.050599|0.041125|0.048045|0.172784|0.209369|0.500000|
|2.826062|3.447235|4.418888|7.092615|6.955074|8.103404|6.110745|4.293720|22.600348|2.857495|2.356772|3.940317|2.925482|1.862332|1.728404|1.540539|1.471650|1.551712|1.742098|3.285358|3.007882|8.842412|17.580360|8.925026|13.041399|4.916319|4.046616|3.152544|2.880483|3.141160|4.015559|32.811691|18.331260|0.069519|0.075168|0.095632|0.139951|0.110128|0.077740|0.085482|0.062029|0.049456|0.040541|0.050116|0.211683|0.173155|0.303544|0.500000|
|2.475046|2.962846|3.388761|4.952492|4.578311|5.446885|4.289551|3.047195|17.150030|2.183569|1.870091|3.175501|2.356195|1.536213|1.443743|1.308269|1.256975|1.316572|1.453424|2.815543|2.601846|6.827353|8.839042|17.545795|16.518729|7.082468|6.793015|4.610280|3.761368|3.797725|4.765805|31.698632|22.775240|0.063275|0.064292|0.086906|0.108809|0.083004|0.060810|0.063056|0.049679|0.041217|0.034723|0.041681|0.205536|0.168197|0.174309|0.214324|0.500000|
|2.866796|3.474419|3.960775|5.302040|4.554622|5.020704|4.124261|3.105285|17.824056|2.177857|1.881818|3.253104|2.333909|1.525667|1.452187|1.313952|1.250438|1.296547|1.426994|2.753284|2.589448|6.889086|8.819558|17.531381|16.538265|7.090147|6.767815|4.603920|3.764322|3.806540|4.781594|31.840995|22.789585|0.072746|0.073853|0.101730|0.136724|0.095374|0.059854|0.061901|0.048507|0.041901|0.035103|0.040480|0.171960|0.205982|0.211527|0.173815|0.300604|0.500000|
|2.134436|2.452245|2.664639|3.642312|3.062577|3.713989|3.148124|2.299315|13.767323|1.755886|1.552067|2.678553|1.968218|1.308037|1.246703|1.143799|1.099997|1.141460|1.242463|2.451818|2.299843|4.010104|4.684433|7.454155|12.564582|8.904407|17.772964|8.978138|5.680714|4.963821|5.652965|31.498345|31.656720|0.055828|0.055811|0.071737|0.085151|0.067139|0.048677|0.050093|0.041088|0.035639|0.030628|0.035369|0.114210|0.113044|0.115589|0.115973|0.228353|0.225608|0.500000|
|1.713541|1.898763|2.017368|2.726330|2.203599|2.762586|2.436009|1.782063|11.091552|1.439433|1.300697|2.258380|1.668346|1.125650|1.080382|1.002579|0.968778|1.001023|1.077534|2.164214|2.043291|2.651882|2.980291|3.905638|7.455996|5.634339|8.921523|17.750955|8.945131|5.654083|4.969324|27.459848|53.612695|0.045509|0.045451|0.054831|0.062609|0.052336|0.039834|0.041005|0.034722|0.030782|0.026982|0.030599|0.075110|0.074743|0.077999|0.077978|0.113873|0.113590|0.217111|0.500000|
|1.612175|1.756678|1.943177|2.613254|2.046598|2.592755|2.354218|1.738597|11.074889|1.450532|1.324755|2.307382|1.703949|1.155705|1.112890|1.035318|1.000139|1.030894|1.106479|2.227680|2.112179|2.327469|2.805768|3.321246|7.595524|5.629770|4.963244|5.654129|8.902031|17.768328|8.963783|54.341538|53.659866|0.042019|0.044178|0.048645|0.060098|0.052570|0.039274|0.042103|0.035343|0.031699|0.027903|0.031329|0.062930|0.063076|0.078450|0.077610|0.088258|0.088485|0.107775|0.124264|0.500000|
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