Version2.1
2020-12-16T18:36:42Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
01-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)Nc2ncc(s2)Cc3cccc(c3)Cl)Cc4ccccc4 C00949860
RHF
6-31G(d)
(6D,7F)
C=CCn1c(nnc1SCC(=O)Nc2ncc(s2)Cc3cccc(c3)Cl)Cc4ccccc4
C01[X(C24H22Cl1N5O1S2)]
159
C1
551
C=CCn1c(SCC(=O)Nc2ncc(s2)Cc2cccc(c2)Cl)nnc1Cc1ccccc1
C=CCn1c(SCC(=O)Nc2ncc(s2)Cc2cccc(c2)Cl)nnc1Cc1ccccc1
Clc1cccc(Cc2sc(NC(=O)CSc3nnc(Cc4ccccc4)n3CC=C)nc2)c1
InChIKey=KJLCKBLYWQEJIY-UHFFFAOYSA-N
InChI=1S/C24H22ClN5OS2/c1-2-11-30-21(14-17-7-4-3-5-8-17)28-29-24(30)32-16-22(31)27-23-26-15-20(33-23)13-18-9-6-10-19(25)12-18/h2-10,12,15H,1,11,13-14,16H2,(H,26,27,31)
InChI=1/C24H22ClN5OS2/c1-2-11-30-21(14-17-7-4-3-5-8-17)28-29-24(30)32-16-22(31)27-23-26-15-20(33-23)13-18-9-6-10-19(25)12-18/h2-10,12,15H,1,11,13-14,16H2,(H,26,27,31)/f/h27H
C=CCn1c(nnc1SCC(=O)Nc2ncc(s2)Cc3cccc(c3)Cl)Cc4ccccc4
C01[X(C24H22Cl1N5O1S2)]
159
C01
551
C=CCn1c(SCC(=O)Nc2ncc(s2)Cc2cccc(c2)Cl)nnc1Cc1ccccc1
C=CCN1[C]([N][N]=C1C[C]1[CH][CH][CH][CH][CH]1)SCC(=O)N[C]1=[N][CH]=C(S1)C[C]1[CH][CH][CH][C]([CH]1)Cl
Cl[C]1[CH][CH][CH][C]([CH]1)Cc2sc(NC(=O)CS[C]3[N]N=C(C[C]4[CH][CH][CH][CH][CH]4)N3CC=C)nc2
InChIKey=KJLCKBLYWQEJIY-UHFFFAOYSA-N
InChI=1S/C24H22ClN5OS2/c1-2-11-30-21(14-17-7-4-3-5-8-17)28-29-24(30)32-16-22(31)27-23-26-15-20(33-23)13-18-9-6-10-19(25)12-18/h2-10,12,15H,1,11,13-14,16H2,(H,26,27,31)
InChI=1/C24H22ClN5OS2/c1-2-11-30-21(14-17-7-4-3-5-8-17)28-29-24(30)32-16-22(31)27-23-26-15-20(33-23)13-18-9-6-10-19(25)12-18/h2-10,12,15H,1,11,13-14,16H2,(H,26,27,31)/f/h27H
3405.9178236842
-2523.2386597
1-A
35136.6673
129
422
551
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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11.90869
-1.9922 0.2803 -3.5824
4.1086
|XX|YY|ZZ|XY|XZ|YZ|
-181.5459 -212.9496 -210.1324 20.4987 12.0468 -2.9771
|XX|YY|ZZ|XY|XZ|YZ|
19.9967 -11.4070 -8.5898 20.4987 12.0468 -2.9771
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-115.2609 -19.6584 -53.2905 -58.8677 61.3021 -226.3753 55.2404 -15.1965 -14.3826 55.7708
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-40618.6335 -4141.0086 -2631.6527 943.8309 380.0298 221.6702 -53.5523 8.5920 -86.6265 -7449.7920 -7120.2130 -1110.6780 126.7007 -52.6652 -62.5265
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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|
6.9107 8.7789 14.3294 19.3115 28.3585 32.1015 37.1581 43.1517 48.6580 55.5108 60.9007 81.8868 84.2358 92.4865 103.4009 126.6629 160.6056 169.9319 180.3856 187.9287 210.1114 222.3931 249.2828 260.5966 284.7489 299.8658 328.6361 344.2652 384.9527 390.1137 395.8972 405.7762 413.0018 435.9930 447.8223 457.0298 484.9566 500.0610 529.5540 544.5635 552.8937 578.6262 605.7956 612.7410 630.7492 647.6392 653.5470 678.9145 693.1310 707.6837 724.2092 734.1904 753.7497 758.4946 774.5804 777.2370 780.6145 799.2588 820.3002 838.9546 848.4524 875.5409 890.3477 906.5629 911.9607 947.1491 963.2365 992.8232 1004.2262 1008.9247 1019.0520 1020.8341 1028.3606 1034.8860 1039.7958 1059.7762 1075.4674 1088.2233 1089.7043 1100.4567 1106.7875 1109.6984 1111.8859 1130.6675 1131.6904 1138.4954 1184.4537 1195.1572 1203.2742 1208.5133 1219.6386 1221.0564 1259.0139 1260.4537 1275.5710 1288.4448 1297.4572 1303.3713 1303.6338 1309.1842 1310.2772 1320.4974 1342.0516 1344.8972 1353.0778 1390.8889 1418.1301 1439.3544 1440.9554 1461.5793 1464.1649 1484.4924 1496.5212 1500.5331 1506.4870 1543.0469 1568.5608 1592.8026 1598.1731 1601.3286 1620.9014 1624.3253 1627.1159 1646.6353 1648.7915 1651.4694 1671.0057 1690.3318 1742.5088 1767.1067 1779.9286 1785.3336 1790.1608 1803.0389 1810.9066 1880.4978 1982.3510 3213.6655 3227.0455 3251.0776 3265.3057 3266.4614 3276.6262 3312.3476 3318.3742 3333.0223 3346.2601 3347.4845 3359.5708 3362.4765 3369.8574 3379.6610 3381.4774 3389.7135 3392.2238 3404.6782 3411.9870 3419.0544 3850.8169
8.5462 6.4511 8.1857 6.0211 4.4695 5.6589 6.8697 4.8971 6.0906 4.4980 7.0174 3.5622 6.3355 4.0879 6.0884 4.3577 5.2891 6.3305 4.7742 6.2210 4.6890 4.3551 5.5296 5.9830 4.2609 4.6349 4.3815 2.9544 8.6371 5.5009 3.5373 3.0403 6.7877 2.6196 10.5904 2.9322 3.0557 3.1846 5.0102 4.4246 3.5080 2.6485 3.0151 5.0376 5.6036 1.7885 1.5680 6.2784 6.5271 6.1467 5.6486 6.7663 5.4583 5.8965 3.4402 2.7746 5.1768 4.7356 1.6265 3.6017 4.3537 3.5611 1.5304 3.9451 5.0186 3.7872 1.2459 1.4700 1.6333 1.8283 1.8771 1.6456 1.4439 2.0568 1.6843 1.7843 4.9144 6.1336 6.1691 1.3276 1.3667 2.3521 1.3403 1.3409 2.2522 1.4250 1.7862 2.1361 2.3879 5.0142 2.1649 2.8420 2.1199 3.2873 2.2008 2.3567 1.3072 1.1312 1.4436 1.4117 1.8655 2.0024 2.6261 1.4600 1.7217 1.5947 3.1885 1.2854 1.5597 1.5540 1.4737 1.5595 1.7176 1.3797 1.6021 2.5308 4.3223 2.5062 1.1076 1.2238 1.5749 1.3490 1.1037 3.0170 1.1337 2.2817 2.1551 9.3067 4.1537 9.5843 5.4281 5.1961 5.6393 5.6499 5.2126 4.2374 10.5325 1.0612 1.0650 1.1046 1.0621 1.0599 1.1008 1.1045 1.1065 1.0652 1.0922 1.0886 1.0884 1.0891 1.0923 1.0955 1.0941 1.0989 1.0929 1.0962 1.0957 1.1168 1.0788
0.0002 0.0003 0.0010 0.0013 0.0021 0.0034 0.0056 0.0054 0.0085 0.0082 0.0153 0.0141 0.0265 0.0206 0.0384 0.0412 0.0804 0.1077 0.0915 0.1294 0.1220 0.1269 0.2025 0.2394 0.2036 0.2456 0.2788 0.2063 0.7541 0.4932 0.3266 0.2949 0.6821 0.2934 1.2513 0.3609 0.4234 0.4692 0.8278 0.7731 0.6318 0.5224 0.6519 1.1144 1.3135 0.4420 0.3946 1.7050 1.8476 1.8137 1.7455 2.1489 1.8271 1.9987 1.2161 0.9876 1.8586 1.7824 0.6448 1.4936 1.8466 1.6084 0.7148 1.9103 2.4592 2.0017 0.6811 0.8537 0.9705 1.0965 1.1485 1.0104 0.8997 1.2978 1.0729 1.1807 3.3490 4.2796 4.3161 0.9472 0.9864 1.7065 0.9763 1.0100 1.6994 1.0882 1.4765 1.7977 2.0371 4.3147 1.8973 2.4966 1.9798 3.0772 2.1098 2.3051 1.2966 1.1322 1.4455 1.4256 1.8870 2.0572 2.7868 1.5559 1.8571 1.8177 3.7781 1.5689 1.9080 1.9560 1.8614 2.0249 2.2664 1.8303 2.1422 3.5503 6.2656 3.7463 1.6668 1.8490 2.4380 2.0970 1.7217 4.8197 1.8158 3.6665 3.5454 15.6672 7.4308 17.6334 10.1323 9.7582 10.6479 10.8218 10.0715 8.8287 24.3862 6.4571 6.5344 6.8789 6.6721 6.6630 6.9633 7.1398 7.1787 6.9723 7.2054 7.1874 7.2378 7.2551 7.3080 7.3727 7.3706 7.4395 7.4096 7.4868 7.5151 7.6918 9.4252
0.4972 0.1307 0.4017 0.0633 0.7689 0.6290 0.2083 0.1454 1.7093 0.5436 0.9931 0.4789 1.1540 12.2936 5.9468 5.2449 0.9548 0.4102 0.2262 0.3417 7.7961 2.9544 12.0833 1.0021 0.7481 9.1198 0.5636 1.3898 0.5104 2.7241 1.8451 1.3784 1.9592 4.8414 3.2568 0.1424 5.8764 0.3418 13.5783 5.6757 14.7439 42.1912 15.7048 1.2180 5.0107 8.4061 12.2129 0.1176 8.9764 53.2797 2.2867 3.1221 21.6721 3.1502 8.2018 13.2642 18.3606 59.0788 71.0349 17.0743 15.2543 11.6498 34.5728 6.3365 8.1061 14.8997 0.0419 8.7492 6.5479 2.7010 13.1144 4.5151 9.3513 6.3084 6.1866 2.2612 11.6778 3.4513 0.6583 51.8995 0.0113 9.6665 0.4992 1.0898 3.1953 7.3445 2.5277 17.8169 3.4947 1.5699 11.1845 0.6719 39.6091 1.1545 222.2855 74.6210 4.5706 0.6322 1.1193 6.2935 0.7805 12.9534 8.3864 0.8233 16.4053 14.5737 197.5263 7.0558 122.9066 67.7828 6.0744 84.2558 28.6710 4.0290 51.2417 13.8524 77.3055 18.0332 13.0977 13.4191 14.7696 11.7255 8.6369 73.8574 11.7738 33.9096 18.2052 151.9767 661.4584 50.5745 24.9947 0.9212 209.7034 29.5344 5.1543 0.9039 158.1396 30.1903 21.6418 12.4853 8.3602 16.7086 7.2471 5.9017 0.1960 15.6640 4.1377 11.8772 0.5622 7.3420 18.5756 32.9430 19.8070 22.2417 1.7043 7.9281 18.6086 15.4443 77.6740
1.0987 0.7880 4.8750 3.0847 4.7855 1.9498 3.1637 3.4910 3.8087 2.8865 2.5035 4.4573 1.1079 0.7506 2.2573 2.6362 1.1574 0.9685 2.5169 3.7801 1.3000 5.6019 1.0546 2.4023 0.3322 1.6877 1.4545 0.5249 1.8952 0.9078 2.5114 1.3297 2.5598 3.3552 8.4205 0.0413 0.2564 1.0902 2.1351 2.2099 1.4219 1.9030 0.6588 5.8830 3.3845 7.2767 0.1983 5.1503 9.6351 3.1318 8.9608 3.0886 6.1490 3.3375 0.4418 4.7165 2.2746 1.6608 2.3291 4.1579 10.8214 5.0486 2.6429 5.7247 28.6486 2.1616 2.6471 1.8933 2.7632 2.6747 0.9265 6.5157 1.2821 2.7679 0.6873 1.3050 9.1443 30.3318 28.5602 1.7073 0.0196 3.3931 0.2829 0.8062 8.1160 4.5790 0.3364 5.1949 2.0698 6.2480 0.8992 3.9427 1.8774 7.0753 0.7088 20.5402 13.4368 11.6828 2.4874 12.3714 5.8402 9.1714 2.9057 7.4118 3.3920 3.2976 6.5778 20.7696 7.2433 7.1401 1.6737 18.7046 6.8844 1.6811 9.2214 16.1144 18.1295 1.6084 6.9020 12.0172 6.6089 8.2580 19.2252 97.7193 12.9626 0.6182 0.9337 40.2358 217.7106 37.0934 10.4810 8.7852 10.7817 23.8838 26.4346 31.1589 23.3418 115.1304 76.9555 61.4660 120.1178 41.3165 72.2650 91.3766 33.2740 27.9546 101.7784 46.9689 73.5749 53.6779 95.9078 22.2566 112.1762 274.4058 40.1530 148.4244 123.6239 80.6971 67.9427
0.7451 0.7447 0.7487 0.7430 0.7470 0.7498 0.7397 0.7381 0.6862 0.7492 0.6712 0.7364 0.6960 0.7409 0.7158 0.6852 0.3956 0.6706 0.7401 0.7134 0.7241 0.7463 0.6769 0.7297 0.5958 0.7374 0.2642 0.4797 0.3220 0.6824 0.7478 0.5813 0.6315 0.2442 0.3055 0.5356 0.5157 0.0992 0.6502 0.5622 0.2799 0.7093 0.4214 0.4300 0.4919 0.6668 0.6033 0.7168 0.3820 0.6395 0.0796 0.7459 0.3574 0.1810 0.4495 0.1345 0.2214 0.3651 0.7498 0.6733 0.1057 0.3251 0.4237 0.3433 0.1972 0.1869 0.7408 0.5836 0.6875 0.2818 0.6707 0.4787 0.7237 0.1839 0.3625 0.6479 0.3201 0.1077 0.1048 0.7455 0.6950 0.6242 0.7489 0.3003 0.1093 0.4169 0.7319 0.1961 0.1604 0.7007 0.7095 0.4367 0.6177 0.3041 0.4092 0.5918 0.4244 0.7354 0.4434 0.4654 0.4407 0.3449 0.0964 0.6278 0.7466 0.5681 0.5887 0.4240 0.7316 0.6301 0.4142 0.3665 0.4731 0.4828 0.3340 0.7429 0.3173 0.6671 0.6919 0.3259 0.7043 0.7489 0.7427 0.2726 0.5507 0.7473 0.7281 0.2601 0.2963 0.2753 0.6553 0.7439 0.4630 0.6735 0.6021 0.1703 0.2303 0.0641 0.0528 0.7498 0.0634 0.0400 0.5153 0.5618 0.7258 0.3389 0.1365 0.5004 0.7101 0.6867 0.6360 0.5716 0.3144 0.1075 0.2518 0.1831 0.3170 0.5605 0.1732
0.8539 0.8536 0.8563 0.8526 0.8552 0.8570 0.8504 0.8493 0.8139 0.8566 0.8033 0.8482 0.8208 0.8512 0.8344 0.8132 0.5669 0.8028 0.8506 0.8327 0.8400 0.8547 0.8073 0.8438 0.7467 0.8488 0.4179 0.6484 0.4871 0.8112 0.8557 0.7352 0.7741 0.3925 0.4680 0.6976 0.6805 0.1805 0.7881 0.7197 0.4374 0.8299 0.5930 0.6014 0.6595 0.8001 0.7526 0.8350 0.5528 0.7801 0.1475 0.8544 0.5266 0.3065 0.6202 0.2371 0.3625 0.5349 0.8570 0.8048 0.1912 0.4907 0.5952 0.5112 0.3295 0.3150 0.8511 0.7371 0.8148 0.4397 0.8029 0.6475 0.8397 0.3107 0.5321 0.7863 0.4850 0.1944 0.1898 0.8542 0.8201 0.7687 0.8564 0.4619 0.1971 0.5885 0.8452 0.3279 0.2765 0.8240 0.8301 0.6079 0.7636 0.4663 0.5808 0.7436 0.5959 0.8475 0.6144 0.6351 0.6117 0.5129 0.1758 0.7713 0.8549 0.7245 0.7411 0.5955 0.8450 0.7730 0.5858 0.5364 0.6423 0.6512 0.5007 0.8525 0.4817 0.8003 0.8179 0.4916 0.8265 0.8564 0.8524 0.4285 0.7102 0.8554 0.8426 0.4129 0.4572 0.4318 0.7917 0.8531 0.6330 0.8049 0.7517 0.2910 0.3744 0.1205 0.1003 0.8570 0.1193 0.0769 0.6801 0.7194 0.8411 0.5063 0.2403 0.6670 0.8305 0.8142 0.7775 0.7274 0.4784 0.1941 0.4023 0.3095 0.4814 0.7184 0.2952
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
6 6 6 7 6 7 7 6 16 6 6 8 7 6 7 6 6 16 6 6 6 6 6 6 6 17 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
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 14.00307 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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
8921.5483 60049.1031 62433.1126
0.99998 0.00685 0.00080 -0.00685 0.99997 -0.00454 -0.00083 0.00454 0.99999
1
0.00971 0.00144 0.00139
0.20229 0.03005 0.02891
9.94 12.63 20.62 27.78 40.80 46.19 53.46 62.09 70.01 79.87 87.62 117.82 121.20 133.07 148.77 182.24 231.08 244.49 259.53 270.39 302.30 319.97 358.66 374.94 409.69 431.44 472.83 495.32 553.86 561.29 569.61 583.82 594.22 627.30 644.32 657.56 697.74 719.48 761.91 783.51 795.49 832.51 871.60 881.60 907.51 931.81 940.31 976.81 997.26 1018.20 1041.98 1056.34 1084.48 1091.30 1114.45 1118.27 1123.13 1149.96 1180.23 1207.07 1220.73 1259.71 1281.01 1304.34 1312.11 1362.74 1385.88 1428.45 1444.86 1451.62 1466.19 1468.75 1479.58 1488.97 1496.03 1524.78 1547.36 1565.71 1567.84 1583.31 1592.42 1596.61 1599.76 1626.78 1628.25 1638.04 1704.16 1719.56 1731.24 1738.78 1754.79 1756.83 1811.44 1813.51 1835.26 1853.78 1866.75 1875.26 1875.64 1883.62 1885.20 1899.90 1930.91 1935.01 1946.78 2001.18 2040.37 2070.91 2073.21 2102.89 2106.61 2135.85 2153.16 2158.93 2167.50 2220.10 2256.81 2291.69 2299.41 2303.95 2332.12 2337.04 2341.06 2369.14 2372.24 2376.10 2404.20 2432.01 2507.08 2542.47 2560.92 2568.70 2575.64 2594.17 2605.49 2705.62 2852.16 4623.75 4643.00 4677.58 4698.05 4699.71 4714.33 4765.73 4774.40 4795.48 4814.52 4816.28 4833.67 4837.85 4848.47 4862.58 4865.19 4877.04 4880.65 4898.57 4909.09 4919.26 5540.47
0.455632
0.484589
0.485533
0.386004
-2522.783028
-2522.754070
-2522.753126
-2522.852655
3.338219D-04
MUNgauss
RevisionA2.0
retrievium
16-Dec-2020
DUDE C=CCn1c(nnc1SCC(=O)Nc2ncc(s2)Cc3cccc(c3)Cl)Cc4ccccc4 C00949860
RHF
6-31G(d)
(6D,10F)
C1
495.095432
|X|Y|Z|
173.287416 55.957425 44.462231
75.544932
28
|36.858105|
|14.461341|36.858105|
|7.640388|12.653892|36.858105|
|5.368789|7.719455|13.061221|53.358707|
|4.079076|5.540588|7.480187|18.957831|36.858105|
|3.430588|4.316551|5.305439|11.924605|14.862554|53.358707|
|3.617413|4.376819|5.307265|11.908139|8.893138|18.989884|53.358707|
|4.639393|5.766175|7.522677|19.069579|8.893101|12.157074|20.216338|36.858105|
|4.846711|5.160826|5.904544|9.443449|4.948225|6.726972|9.526317|10.826078|388.023441|
|3.346706|3.532415|3.928329|6.488526|4.041618|6.160536|9.096422|7.123096|74.789312|36.858105|
|2.995734|3.004267|3.209935|4.881940|3.091066|4.533048|5.944394|4.692675|49.776556|12.580836|36.858105|
|3.173574|3.060980|3.200060|4.618962|2.863609|4.043237|5.092166|4.220010|47.121116|7.957005|15.954872|73.516695|
|2.478512|2.502355|2.658461|4.053076|2.689889|4.024780|5.087024|3.750848|34.050640|7.920954|13.966264|15.061617|53.358707|
|2.188026|2.172126|2.271271|3.362017|2.254725|3.312897|4.001394|2.969577|26.165181|5.085061|7.755978|11.917956|18.729026|36.858105|
|1.925992|1.926849|2.012819|2.987800|2.050662|3.035969|3.584144|2.592858|21.600705|4.065943|5.311692|8.249590|11.268896|14.944800|53.358707|
|1.762585|1.743566|1.803569|2.625605|1.803462|2.628624|3.035932|2.223944|18.422132|3.233469|4.112557|6.941232|7.431677|8.749632|18.814607|36.858105|
|1.819775|1.773698|1.821246|2.606922|1.767055|2.536763|2.924382|2.190292|18.586163|3.137785|4.104829|7.444513|6.832299|7.862967|11.206381|14.233283|36.858105|
|2.175931|2.100937|2.160469|3.083709|2.039164|2.909596|3.433820|2.638805|23.775550|4.050681|5.958374|11.797831|9.377496|10.970213|10.114544|7.548054|10.897556|388.023441|
|1.657979|1.603461|1.633047|2.303521|1.567185|2.225353|2.519383|1.896161|15.840288|2.551186|3.178422|5.922590|4.927689|4.874976|6.886461|7.441212|12.664920|47.443175|36.858105|
|1.620690|1.561305|1.599817|2.231348|1.513310|2.128817|2.392639|1.816731|15.163484|2.380685|2.921076|5.552467|4.355941|4.064249|5.502135|5.248193|7.484419|39.530998|12.531284|36.858105|
|1.616809|1.540552|1.565405|2.153526|1.453671|2.023521|2.259276|1.733616|14.500232|2.203843|2.665158|5.196884|3.813939|3.387263|4.429181|3.927078|5.255147|33.025454|7.531875|13.745845|36.858105|
|1.550939|1.476802|1.507357|2.056658|1.389762|1.921834|2.127532|1.637713|13.569508|2.025051|2.394198|4.661700|3.363570|2.877225|3.756307|3.193462|3.970928|26.467444|5.002734|7.906573|13.728081|36.858105|
|1.494617|1.435619|1.481882|2.029432|1.378151|1.909765|2.107524|1.613947|13.233424|1.988129|2.324458|4.447350|3.291555|2.791466|3.697888|3.112627|3.710094|24.480330|4.414720|6.815692|7.923266|13.790914|36.858105|
|1.498516|1.453115|1.511730|2.095261|1.429298|1.998488|2.215849|1.681427|13.743279|2.117153|2.491859|4.671283|3.626980|3.142328|4.265965|3.670116|4.309226|26.889887|5.024501|7.945268|6.929862|8.008607|13.751972|36.858105|
|1.557096|1.513308|1.570108|2.197751|1.499050|2.113541|2.365683|1.785459|14.708109|2.323342|2.800135|5.205614|4.208824|3.840309|5.335088|4.925982|6.100102|33.768435|7.546830|13.686680|7.961497|6.886120|7.899957|13.816023|36.858105|
|1.404546|1.375621|1.446400|2.011353|1.384820|1.939177|2.130901|1.604099|12.841851|1.978027|2.261789|4.143352|3.292443|2.755034|3.805223|3.136121|3.398871|21.794709|3.649371|4.761647|4.238978|4.779711|7.038660|10.916626|7.050383|448.794386|
|3.644451|4.862749|6.051210|10.171302|12.703524|10.535954|7.210034|5.283666|25.812549|3.068639|2.491123|4.186003|3.023101|1.915841|2.405669|1.580130|1.552552|12.525660|1.396917|1.357159|1.311734|1.263178|1.255068|1.295157|1.347661|10.135874|36.858105|
|3.264886|4.128984|5.362443|7.894249|7.503376|7.492023|5.773161|4.340486|22.972388|2.763632|2.301386|3.907217|2.811926|1.803765|2.272748|1.504414|1.483056|11.905708|1.342664|1.318808|1.277625|1.241419|1.242072|1.280217|1.320183|10.112071|12.520638|36.858105|
|2.835601|3.429323|4.462646|6.849108|6.244350|7.206563|5.725567|4.142604|22.366539|2.805192|2.335992|3.921808|2.888055|1.850316|2.343983|1.546148|1.514911|12.098965|1.367027|1.347419|1.297505|1.263916|1.274677|1.322307|1.361215|10.544907|7.527428|13.685147|36.858105|
|2.512060|2.924027|3.676033|5.253933|4.351920|5.254441|4.500896|3.316294|19.249767|2.448353|2.103944|3.574242|2.627547|1.711155|2.179769|1.452817|1.428574|11.318276|1.299840|1.292692|1.248761|1.226306|1.243795|1.287505|1.313959|10.356724|5.005935|7.905396|13.772582|36.858105|
|2.479936|2.850729|3.476474|4.657211|3.713998|4.384823|3.834229|2.899850|17.392331|2.176685|1.907567|3.292541|2.378371|1.567391|1.996113|1.343890|1.331464|10.528671|1.222462|1.220778|1.188473|1.172412|1.186286|1.218672|1.237073|9.785068|4.417979|6.826225|7.926257|13.728889|36.858105|
|2.749187|3.212621|3.851278|4.944762|3.931480|4.444355|3.846135|2.963240|17.661029|2.155970|1.887673|3.282254|2.334336|1.538204|1.950902|1.315790|1.309240|10.396549|1.204562|1.199058|1.172814|1.154127|1.159676|1.185305|1.205789|9.435627|5.000087|7.894004|6.882180|7.957582|13.775287|36.858105|
|3.193316|3.927686|4.794094|6.212314|5.170799|5.457680|4.534111|3.512386|19.989322|2.389226|2.050855|3.546797|2.512382|1.637521|2.066686|1.384333|1.375120|10.995331|1.257755|1.242618|1.213162|1.185523|1.184777|1.212506|1.242251|9.578740|7.532321|13.725718|7.963023|6.895968|7.936868|13.726825|36.858105|
|17.698788|9.086649|6.930687|6.711021|3.715895|4.347587|4.695228|4.460320|36.161256|3.447672|3.167249|6.142652|3.516465|2.292182|2.718839|1.834996|1.914034|16.493750|1.745742|1.722136|1.726998|1.663825|1.602251|1.599326|1.654574|11.993254|3.288056|3.062945|2.743548|2.476261|2.442878|2.657966|2.999041|0.500000|
|17.724389|9.113269|5.480212|5.850979|3.494449|4.117842|4.303342|3.858068|28.735761|2.978601|2.730438|5.156529|3.132489|2.062038|2.488706|1.687697|1.746858|14.708147|1.604979|1.563048|1.567683|1.500852|1.437383|1.434592|1.491947|10.748931|3.212153|2.865726|2.498302|2.235550|2.223798|2.468591|2.839070|0.289223|0.500000|
|9.162818|17.670492|8.651644|9.342192|5.650831|5.985626|5.777384|5.193408|31.178839|3.229006|2.742317|4.882989|3.180759|2.037792|2.490657|1.657397|1.673857|13.893400|1.517158|1.468536|1.445830|1.382966|1.344241|1.363082|1.422755|10.382101|5.248748|4.176563|3.367340|2.837444|2.773840|3.172656|3.978343|0.173504|0.218695|0.500000|
|6.020030|8.893084|17.624751|12.628578|7.148173|6.685702|6.180081|5.728124|32.091938|3.306603|2.762622|4.877655|3.202986|2.040920|2.496355|1.655941|1.667472|13.833746|1.507638|1.485061|1.455416|1.411187|1.394645|1.421265|1.466413|11.013037|6.939239|6.796362|5.213647|4.284069|4.176649|4.865601|6.395779|0.153528|0.129771|0.204419|0.500000|
|7.254098|8.892827|17.607689|12.515045|5.767914|6.193748|6.610437|6.960339|46.472228|4.148978|3.465029|6.289122|3.829450|2.406435|2.868653|1.891981|1.927635|16.491755|1.726427|1.705975|1.673648|1.617956|1.592956|1.621632|1.677550|12.435168|4.721557|4.542780|4.086883|3.528760|3.339614|3.572694|4.159710|0.217630|0.143067|0.171773|0.304247|0.500000|
|3.189218|3.411343|3.670728|6.215576|4.068124|6.488389|9.736516|6.741437|56.414912|17.617414|8.882174|10.926029|9.697634|4.751773|5.416275|3.147669|2.990694|26.347466|2.443080|2.239508|2.070160|1.891321|1.848796|1.968239|2.171405|14.770286|3.086608|2.702346|2.711970|2.342920|2.084656|2.079053|2.325538|0.088435|0.080519|0.089583|0.086725|0.102923|0.500000|
|3.029145|3.256341|3.773888|6.350093|4.116757|6.448953|9.414476|6.760215|56.345456|17.607552|8.891266|10.978017|9.647099|4.740646|5.391174|3.140318|2.991033|26.416462|2.443435|2.310641|2.122499|1.971882|1.967530|2.116518|2.306035|16.199051|3.131448|2.883939|3.026091|2.644581|2.304306|2.238803|2.457871|0.086794|0.074616|0.083117|0.090811|0.111118|0.303540|0.500000|
|2.350374|2.417582|2.589606|4.040458|2.753205|4.232384|5.361676|3.758724|31.598501|7.570933|9.278147|10.823766|25.992366|9.517571|10.713300|5.050254|4.357394|37.377272|3.243253|2.871003|2.511071|2.239210|2.215843|2.454746|2.826004|18.315097|2.267995|2.100024|2.174733|1.967975|1.764916|1.723599|1.858271|0.067095|0.060681|0.063512|0.064244|0.074917|0.209612|0.206915|0.500000|
|1.609922|1.598959|1.652288|2.405038|1.671332|2.439414|2.777848|2.015023|16.273272|2.806827|3.395996|5.711245|5.908650|6.023458|12.287378|17.755652|8.896439|37.907012|6.565430|4.770438|3.600084|2.980901|2.946082|3.501501|4.644723|24.681147|1.478446|1.411283|1.453313|1.371158|1.270095|1.241385|1.301725|0.046300|0.042990|0.042498|0.042474|0.047843|0.076996|0.076751|0.117501|0.500000|
|1.679144|1.611261|1.621975|2.274242|1.542865|2.180489|2.463334|1.864303|15.628224|2.471648|3.062723|5.811892|4.615453|4.401724|5.982154|5.881728|8.936230|43.713115|17.553599|8.918594|7.352240|4.790979|3.983715|4.202835|5.597190|25.094858|1.378066|1.318806|1.332835|1.264596|1.194546|1.183991|1.239742|0.049051|0.045495|0.042420|0.041507|0.047502|0.066268|0.064760|0.084078|0.145805|0.500000|
|1.531881|1.491145|1.519591|2.152579|1.479430|2.109325|2.369797|1.764504|14.446970|2.333329|2.826343|5.132699|4.430729|4.263491|6.453252|7.160802|9.064577|36.260125|17.542929|8.894651|5.925034|4.324905|3.986967|4.631269|6.754650|28.449793|1.325881|1.275127|1.301010|1.239269|1.165075|1.146032|1.194614|0.044494|0.041289|0.039443|0.039186|0.044328|0.062881|0.062703|0.083624|0.205679|0.304437|0.500000|
|1.645080|1.556993|1.565308|2.145907|1.445520|2.007386|2.240496|1.724675|14.471786|2.178016|2.631100|5.182427|3.722155|3.275045|4.237154|3.707240|4.948558|32.239184|6.984271|8.920644|17.711990|8.926182|5.646894|4.981067|5.652373|27.458216|1.305148|1.264614|1.275844|1.223692|1.167877|1.158875|1.203131|0.048726|0.044623|0.040666|0.040317|0.046332|0.057260|0.057529|0.067894|0.094147|0.226427|0.153171|0.500000|
|1.528402|1.446273|1.467080|1.984866|1.339774|1.841269|2.027164|1.567574|12.947191|1.897292|2.214650|4.339479|3.059132|2.559599|3.317877|2.758319|3.353668|23.161089|4.083269|5.635533|8.913317|17.721364|8.950308|5.677599|4.959131|31.631766|1.224111|1.204597|1.221113|1.187252|1.141520|1.127731|1.156818|0.045620|0.041275|0.037624|0.038240|0.043730|0.049342|0.051122|0.056760|0.071827|0.113983|0.100071|0.215650|0.500000|
|1.436069|1.379540|1.426283|1.942545|1.321944|1.823412|1.997724|1.531664|12.444223|1.845287|2.120092|4.044685|2.966996|2.456791|3.251172|2.670614|3.085035|20.899951|3.535487|4.924813|5.631026|8.887851|17.750579|8.912439|5.636306|53.823720|1.211485|1.206069|1.239050|1.216392|1.164951|1.137266|1.155882|0.042802|0.038362|0.035881|0.037497|0.042617|0.047665|0.050987|0.055947|0.070819|0.090654|0.090786|0.124018|0.214451|0.500000|
|1.538575|1.508572|1.574513|2.226859|1.528673|2.173328|2.437070|1.819783|14.854465|2.398317|2.878172|5.201147|4.461919|4.126588|6.031824|5.705355|6.421641|33.510999|6.990334|8.881098|5.650851|4.960603|5.638578|8.953786|17.738274|54.064323|1.370837|1.341674|1.390707|1.340354|1.254593|1.218013|1.255695|0.045177|0.040838|0.039517|0.040882|0.046551|0.062532|0.066886|0.084585|0.154610|0.140515|0.190220|0.124053|0.107659|0.124292|0.500000|
|3.104439|3.952033|4.582943|7.721184|9.180347|10.245939|6.732919|4.554135|22.916343|2.867437|2.342565|3.896316|2.898920|1.844742|2.342533|1.537990|1.499672|11.959027|1.350048|1.305877|1.257698|1.208807|1.202383|1.244705|1.298299|9.767620|17.585081|8.875705|6.601501|4.572140|3.988720|4.358675|6.017123|0.078279|0.078193|0.120480|0.138370|0.104832|0.081874|0.081739|0.061130|0.040212|0.036966|0.035790|0.034755|0.032493|0.032220|0.036824|0.500000|
|4.034544|5.561415|6.272600|9.197386|8.939758|8.090700|6.173760|4.754849|24.583560|2.857427|2.366794|4.040168|2.861237|1.830292|2.293933|1.518069|1.501542|12.124095|1.359257|1.320502|1.284220|1.236935|1.222763|1.254416|1.303738|9.766290|17.554678|8.879247|5.582009|4.183047|3.977976|4.774708|7.314495|0.097543|0.099938|0.180272|0.204439|0.130580|0.080092|0.079015|0.059056|0.039454|0.037466|0.035797|0.035663|0.033441|0.032812|0.036660|0.303804|0.500000|
|2.743464|3.297427|4.262524|7.086456|6.751666|8.687520|6.698138|4.556430|23.848712|3.094944|2.523925|4.156594|3.140220|1.988354|2.524685|1.648414|1.601297|12.782092|1.433110|1.405500|1.343531|1.302783|1.316098|1.374641|1.423106|10.974438|7.000415|8.910757|17.712866|8.926215|5.641529|4.956421|5.656797|0.073960|0.067309|0.089934|0.129289|0.109620|0.083586|0.094931|0.066526|0.043022|0.038664|0.037936|0.036619|0.034793|0.035401|0.040620|0.183822|0.140693|0.500000|
|2.274436|2.594381|3.207551|4.645778|3.778067|4.805191|4.237227|3.071197|18.264809|2.391981|2.073889|3.505914|2.620839|1.713830|2.196562|1.464578|1.434390|11.289256|1.304833|1.301365|1.252314|1.232664|1.257889|1.307926|1.331979|10.609227|4.087142|5.634849|8.938389|17.714998|8.906993|5.653527|4.963743|0.062963|0.056582|0.069606|0.099762|0.087659|0.063347|0.072842|0.054779|0.038509|0.035091|0.034642|0.033934|0.033059|0.034220|0.037885|0.107344|0.096179|0.215788|0.500000|
|2.233026|2.505413|2.979305|3.957281|3.085728|3.743587|3.355204|2.534264|15.665218|1.986844|1.769634|3.069376|2.223324|1.479569|1.892530|1.282352|1.272506|9.998635|1.174794|1.179073|1.150091|1.140269|1.157849|1.187651|1.199140|9.589170|3.536216|4.927679|5.640246|8.899332|17.717457|8.914547|5.642276|0.061729|0.056159|0.067488|0.096700|0.081221|0.052741|0.058437|0.045746|0.033770|0.031851|0.031156|0.031331|0.030886|0.031714|0.033751|0.090777|0.090544|0.124095|0.214569|0.500000|
|2.611900|2.978755|3.422425|4.279974|3.312398|3.809677|3.369108|2.610288|16.017017|1.958756|1.741390|3.054263|2.159987|1.436394|1.825075|1.239572|1.238366|9.798411|1.146790|1.144712|1.125046|1.110677|1.114672|1.134028|1.149523|9.023540|4.084097|5.630775|4.956520|5.650111|8.916132|17.713870|8.917446|0.070296|0.066073|0.081966|0.117754|0.089270|0.052527|0.056013|0.044111|0.032547|0.031390|0.030326|0.030930|0.030260|0.030453|0.032150|0.101140|0.113716|0.107578|0.124141|0.214635|0.500000|
|3.405245|4.219386|4.807848|5.956567|4.821894|5.074708|4.275892|3.353014|19.388861|2.292186|1.982846|3.455267|2.423844|1.586551|2.000371|1.345020|1.340850|10.725345|1.230777|1.213477|1.189582|1.160946|1.154392|1.176525|1.206403|9.243959|6.990918|8.911154|5.651054|4.962016|5.650326|8.926698|17.692506|0.086683|0.085251|0.122946|0.178178|0.112766|0.062446|0.064378|0.049585|0.035133|0.033864|0.032458|0.032916|0.031567|0.031272|0.033768|0.157143|0.225193|0.124178|0.107674|0.124209|0.215932|0.500000|
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