Version2.1
2021-01-15T01:21:25Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
02-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1ccc(cc1NC(=O)[C@@H]2CC(=O)NC3=NC(=NC(=O)[C@H]23)SCc4ccc(cc4)F)Cl C64742584
RHF
6-31G(d)
(6D,7F)
Cc1ccc(cc1NC(=O)[C@@H]2CC(=O)NC3=NC(=NC(=O)[C@H]23)SCc4ccc(cc4)F)Cl
C01[X(C22H18Cl1F1N4O3S1)]
144
C1
524
O=C1NC2=NC(=NC(=O)[C@@H]2[C@@H](C1)C(=O)Nc1cc(Cl)ccc1C)SCc1ccc(cc1)F
O=C1NC2=NC(=NC(=O)[C@@H]2[C@@H](C1)C(=O)Nc1cc(Cl)ccc1C)SCc1ccc(cc1)F
Cc1ccc(Cl)cc1NC(=O)[C@@H]2CC(=O)NC3=NC(=NC(=O)[C@H]23)SCc4ccc(F)cc4
InChIKey=JUHSRJAPWIYLOU-CRAIPNDOSA-N
InChI=1S/C22H18ClFN4O3S/c1-11-2-5-13(23)8-16(11)25-20(30)15-9-17(29)26-19-18(15)21(31)28-22(27-19)32-10-12-3-6-14(24)7-4-12/h2-8,15,18H,9-10H2,1H3,(H,25,30)(H,26,27,28,29,31)/t15-,18-/m1/s1
InChI=1/C22H18ClFN4O3S/c1-11-2-5-13(23)8-16(11)25-20(30)15-9-17(29)26-19-18(15)21(31)28-22(27-19)32-10-12-3-6-14(24)7-4-12/h2-8,15,18H,9-10H2,1H3,(H,25,30)(H,26,27,28,29,31)/t15-,18-/m1/s1/f/h25-26H
Cc1ccc(cc1NC(=O)[C@@H]2CC(=O)NC3=NC(=NC(=O)[C@H]23)SCc4ccc(cc4)F)Cl
C01[X(C22H18Cl1F1N4O3S1)]
144
C01
524
O=C1NC2=NC(=NC(=O)[C@@H]2[C@@H](C1)C(=O)Nc1cc(Cl)ccc1C)SCc1ccc(cc1)F
O=C1NC2=N[C](SC[C]3[CH][CH][C]([CH][CH]3)F)[N][C](=O)[C@@H]2[C@@H](C1)C(=O)N[C]1[CH][C]([CH][CH][C]1C)Cl
C[C]1[CH][CH][C](Cl)[CH][C]1NC(=O)[C@@H]2CC(=O)NC3=N[C]([N]C(=O)[C@H]23)SC[C]4[CH][CH][C](F)[CH][CH]4
InChIKey=JUHSRJAPWIYLOU-CRAIPNDOSA-N
InChI=1S/C22H18ClFN4O3S/c1-11-2-5-13(23)8-16(11)25-20(30)15-9-17(29)26-19-18(15)21(31)28-22(27-19)32-10-12-3-6-14(24)7-4-12/h2-8,15,18H,9-10H2,1H3,(H,25,30)(H,26,27,28,29,31)/t15-,18-/m1/s1
InChI=1/C22H18ClFN4O3S/c1-11-2-5-13(23)8-16(11)25-20(30)15-9-17(29)26-19-18(15)21(31)28-22(27-19)32-10-12-3-6-14(24)7-4-12/h2-8,15,18H,9-10H2,1H3,(H,25,30)(H,26,27,28,29,31)/t15-,18-/m1/s1/f/h25-26H
3361.1450726419
-2242.4668536
1-A
21965.0042
122
402
524
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9.90976
-0.9252 -1.4380 5.6455
5.8987
|XX|YY|ZZ|XY|XZ|YZ|
-221.2525 -187.5009 -207.1244 6.5030 15.9931 -10.2043
|XX|YY|ZZ|XY|XZ|YZ|
-15.9599 17.7917 -1.8318 6.5030 15.9931 -10.2043
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
19.7566 53.2110 -18.4637 -21.4805 -53.3757 131.1698 -13.0123 7.5427 78.4188 2.5194
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-22307.9369 -6386.3074 -2236.1932 471.2066 -164.2050 167.7147 -220.0127 66.2205 19.4035 -4580.1365 -3864.6380 -1454.5111 -115.2305 331.7055 3.9486
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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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
7.4938 13.1464 22.5655 23.6199 38.3811 44.6961 58.3700 65.3099 78.1485 102.2130 119.5318 126.0454 135.3639 146.2262 169.1028 175.7721 217.1623 224.0420 226.4297 239.9402 269.2731 276.6103 309.6131 333.0929 338.1072 346.4005 361.6008 393.5275 409.4554 411.2831 425.6407 442.4883 460.1995 466.6974 497.0847 503.6372 525.6976 536.8751 546.0438 574.3083 595.7146 620.3268 641.5202 653.4931 672.9808 692.3067 699.3046 699.8289 709.1070 744.5632 748.7421 767.9386 779.6263 793.2931 807.4580 820.4387 826.4019 841.6615 846.7068 862.5575 922.5712 923.6433 932.6367 955.1391 961.3012 978.7419 986.5502 997.6408 1015.6609 1034.7190 1065.8658 1074.9679 1075.9298 1082.5957 1094.8485 1099.8116 1102.9187 1115.0631 1128.7439 1171.4436 1185.3207 1193.8920 1209.5075 1212.7038 1227.6644 1251.2052 1282.0018 1282.6341 1303.0215 1318.4025 1322.5309 1332.3174 1336.4893 1366.5786 1384.8065 1389.7981 1392.2989 1410.8040 1420.5826 1431.5891 1432.4528 1450.8975 1456.0801 1500.7983 1547.6710 1561.2612 1568.3082 1577.7761 1580.0690 1611.2834 1624.7909 1634.9234 1637.1619 1641.7662 1658.3961 1664.5178 1698.2151 1738.0984 1785.5379 1793.1389 1818.5843 1822.2935 1826.2312 1948.5742 1973.7149 2040.2649 3178.9212 3197.0748 3220.7383 3257.9003 3285.4377 3294.4133 3295.6119 3322.5653 3341.9342 3368.6847 3369.9708 3369.9964 3402.1726 3402.7495 3406.0139 3477.4200 3819.5493 3873.9695
11.7534 5.5776 5.0126 5.2646 10.4951 7.3814 8.8751 6.8127 7.2925 8.8911 7.9758 4.6791 7.5010 8.3396 8.5559 12.7426 2.3153 1.7326 8.1606 6.4041 4.8154 3.6027 5.9071 2.8117 5.7920 4.5727 4.1623 7.6242 8.9977 7.0721 8.7114 12.0190 4.1980 3.0580 3.8502 3.0151 5.8742 5.7879 4.1460 9.0985 3.2750 4.0907 3.2305 2.8576 2.6711 2.0203 4.5557 6.7428 5.2005 8.2500 7.0996 4.3477 7.5287 3.4994 1.4789 4.8311 5.1426 4.3612 4.8728 6.0040 5.6011 1.2965 1.2449 2.3911 2.4663 5.3791 1.5537 5.3195 4.0831 1.4216 3.7074 1.3700 1.3327 4.0149 1.3490 2.9484 1.8591 2.6083 2.2550 1.4977 1.8015 2.5051 2.4809 2.8763 1.4760 4.1090 3.4364 1.1959 1.7353 2.5444 2.2357 1.6877 1.3393 1.8069 1.9709 4.0348 2.2072 2.0996 1.8449 1.5502 1.4942 1.3039 2.8873 1.7888 1.9398 2.5768 1.7094 2.7857 1.6607 1.0887 1.1003 4.6790 1.3767 1.1458 3.5832 2.0273 2.7337 2.5150 4.1498 6.6979 3.8996 5.7239 6.3472 7.9824 11.7812 10.3732 1.0815 1.0449 1.0721 1.0957 1.0595 1.0873 1.1012 1.0946 1.1098 1.0912 1.0913 1.0908 1.0956 1.0956 1.0956 1.0931 1.0785 1.0785
0.0004 0.0006 0.0015 0.0017 0.0091 0.0087 0.0178 0.0171 0.0262 0.0547 0.0671 0.0438 0.0810 0.1051 0.1442 0.2320 0.0643 0.0512 0.2465 0.2172 0.2057 0.1624 0.3336 0.1838 0.3901 0.3233 0.3207 0.6957 0.8888 0.7048 0.9299 1.3865 0.5238 0.3924 0.5605 0.4506 0.9565 0.9829 0.7283 1.7681 0.6848 0.9275 0.7833 0.7190 0.7128 0.5705 1.3126 1.9457 1.5407 2.6947 2.3450 1.5106 2.6961 1.2975 0.5681 1.9160 2.0693 1.8203 2.0583 2.6319 2.8088 0.6517 0.6380 1.2852 1.3428 3.0359 0.8910 3.1194 2.4816 0.8968 2.4816 0.9327 0.9090 2.7724 0.9527 2.1012 1.3324 1.9108 1.6927 1.2109 1.4913 2.1038 2.1383 2.4923 1.3106 3.7901 3.3276 1.1591 1.7360 2.6057 2.3040 1.7651 1.4095 1.9882 2.2268 4.5917 2.5209 2.4622 2.1936 1.8719 1.8064 1.6173 3.6067 2.3739 2.7376 3.7006 2.4771 4.0858 2.4428 1.6653 1.7114 7.3689 2.1741 1.8196 5.8064 3.3094 4.6450 4.4764 7.7951 12.6886 7.5986 11.1989 12.4723 17.8573 27.0401 25.4410 6.4395 6.2928 6.5524 6.8519 6.7383 6.9528 7.0465 7.1195 7.3031 7.2961 7.3018 7.2991 7.4714 7.4741 7.4883 7.7881 9.2703 9.5359
0.0724 0.1101 0.6083 0.5182 0.0896 5.3480 1.1669 1.2092 0.8856 0.6709 4.4736 0.7690 4.1894 2.0394 1.3388 1.4507 0.9595 2.0707 2.3797 2.7120 2.4929 0.8551 13.0977 0.1816 9.7483 8.6328 5.6372 8.6911 7.9265 15.2596 18.9449 7.9912 3.1777 0.2460 4.4026 4.9169 6.1723 16.7734 17.1087 3.7087 11.1078 26.7704 23.3780 8.0742 46.7225 116.9074 7.8320 0.1034 25.3386 4.0390 9.2639 1.8378 4.3790 1.1158 127.1729 5.0242 1.0475 14.4272 20.1167 8.1831 16.2479 29.2547 0.0363 76.5978 8.1536 20.0452 0.2306 44.0962 38.2790 23.4633 58.9120 0.9578 0.1235 36.4388 0.0073 7.2808 18.5227 5.3591 90.4359 0.9100 6.1835 14.4928 16.1225 1.7576 0.6522 702.5800 18.1591 15.1662 1.9996 0.5948 48.7441 0.3930 56.4795 523.2022 88.2258 121.4802 34.7506 155.6073 162.1000 4.6390 14.1981 2.2976 231.3592 54.0787 103.9462 42.4942 39.1446 2.7179 63.3049 11.0792 9.6256 59.8445 35.4025 58.7202 539.7778 228.4897 161.1501 332.0969 321.5254 7.9315 96.2640 84.7084 1454.7249 149.3034 621.8134 493.2457 1.9284 29.3354 13.1307 15.3971 6.6695 6.5801 20.6968 3.0741 1.0298 10.7266 10.0413 16.7585 6.9190 5.1304 5.5760 8.5583 102.1391 72.0036
2.5276 3.7978 5.1438 4.0040 1.1774 1.5718 2.0513 1.6507 0.8148 1.9578 1.3895 1.4909 1.1659 0.5792 1.6895 0.5718 1.1019 0.9350 0.9440 0.3043 1.5095 0.2904 1.4758 0.1609 2.3514 1.2661 2.0775 3.3206 9.5117 2.4696 0.9430 0.2783 0.1339 0.0138 0.9772 0.5854 1.8661 0.5789 2.2966 2.8164 1.1134 3.4528 4.3138 0.6843 1.4833 7.9986 3.2898 6.2159 1.6796 18.4815 4.4911 4.4587 7.8465 1.3105 0.9096 15.2581 4.0518 13.0998 23.8854 8.2325 28.1607 0.8851 2.5615 1.5204 4.7350 12.1369 0.8630 3.0067 2.5238 1.7015 3.2590 2.6071 1.2936 1.8104 0.0736 1.2117 1.4790 0.1977 3.9595 0.6156 3.3228 1.6134 6.5883 6.2340 2.2846 30.7898 6.6157 4.0063 0.1327 20.2308 8.7554 12.4665 16.0509 36.5259 20.1744 11.7180 28.5785 36.3228 41.3374 18.7239 8.8960 0.5746 4.1921 2.4184 3.2720 6.1264 8.6249 0.3864 5.8458 12.2499 7.1938 6.9340 15.6064 14.1715 143.4643 71.2010 3.7330 4.7732 64.2283 6.5498 30.1816 59.8709 43.8254 35.6156 44.2383 59.9201 74.9540 142.5748 112.5253 92.3275 47.6189 56.0282 68.7552 96.7516 25.9654 48.3852 45.6272 88.4349 106.3093 179.4788 129.4386 26.4836 63.7762 46.6499
0.7429 0.7485 0.7462 0.7468 0.7416 0.7410 0.6592 0.7499 0.7286 0.5844 0.7418 0.7170 0.7284 0.6938 0.3254 0.4512 0.3779 0.7443 0.6452 0.4998 0.6905 0.7314 0.3850 0.6916 0.1679 0.7225 0.5299 0.7209 0.3110 0.6500 0.3863 0.7466 0.7259 0.7493 0.6727 0.7497 0.1722 0.7466 0.7194 0.1971 0.4717 0.5773 0.6658 0.7419 0.6736 0.3928 0.7147 0.7455 0.6476 0.0832 0.3243 0.3598 0.5939 0.7263 0.7158 0.4806 0.1766 0.3557 0.0402 0.0873 0.1164 0.6890 0.7483 0.7423 0.1652 0.2652 0.7494 0.3838 0.3979 0.6580 0.7459 0.6958 0.7463 0.5796 0.7428 0.2202 0.3981 0.7311 0.4740 0.7472 0.7465 0.6519 0.1906 0.5097 0.7272 0.5889 0.3545 0.4076 0.4194 0.1128 0.1714 0.7305 0.6531 0.4814 0.1945 0.2694 0.6178 0.0651 0.5256 0.5130 0.3630 0.7310 0.3259 0.6215 0.2110 0.2108 0.5959 0.7359 0.7318 0.7371 0.6646 0.5319 0.4792 0.5365 0.1253 0.3900 0.5954 0.7056 0.4586 0.7500 0.7492 0.5098 0.4717 0.2436 0.3980 0.2589 0.2797 0.0379 0.2052 0.5183 0.0223 0.2303 0.7278 0.4293 0.7489 0.5336 0.5354 0.3944 0.4038 0.1571 0.2284 0.2283 0.2187 0.1259
0.8525 0.8561 0.8546 0.8550 0.8516 0.8512 0.7946 0.8571 0.8430 0.7377 0.8518 0.8352 0.8428 0.8192 0.4910 0.6219 0.5485 0.8534 0.7843 0.6665 0.8169 0.8449 0.5559 0.8177 0.2875 0.8389 0.6927 0.8378 0.4745 0.7879 0.5573 0.8549 0.8412 0.8567 0.8043 0.8569 0.2939 0.8549 0.8368 0.3293 0.6410 0.7320 0.7994 0.8518 0.8050 0.5641 0.8336 0.8542 0.7861 0.1536 0.4898 0.5292 0.7452 0.8414 0.8344 0.6492 0.3002 0.5248 0.0773 0.1606 0.2086 0.8159 0.8561 0.8521 0.2836 0.4193 0.8568 0.5547 0.5693 0.7937 0.8545 0.8206 0.8547 0.7338 0.8525 0.3609 0.5695 0.8446 0.6431 0.8553 0.8548 0.7892 0.3202 0.6752 0.8421 0.7413 0.5234 0.5791 0.5910 0.2027 0.2926 0.8443 0.7902 0.6500 0.3257 0.4244 0.7637 0.1222 0.6891 0.6781 0.5327 0.8446 0.4916 0.7666 0.3484 0.3482 0.7468 0.8479 0.8451 0.8487 0.7985 0.6945 0.6479 0.6983 0.2226 0.5612 0.7464 0.8274 0.6288 0.8571 0.8566 0.6753 0.6411 0.3918 0.5694 0.4113 0.4371 0.0731 0.3406 0.6827 0.0437 0.3744 0.8424 0.6007 0.8564 0.6959 0.6974 0.5656 0.5753 0.2715 0.3719 0.3717 0.3590 0.2237
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 6 6 6 6 6 7 6 8 6 1 6 6 8 7 6 7 6 7 6 8 6 1 16 6 6 6 6 6 6 6 9 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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
11841.2032 32721.5280 38715.9922
0.99999 -0.00017 0.00542 0.00010 0.99992 0.01259 -0.00542 -0.01259 0.99991
1
0.00731 0.00265 0.00224
0.15241 0.05515 0.04661
10.78 18.91 32.47 33.98 55.22 64.31 83.98 93.97 112.44 147.06 171.98 181.35 194.76 210.39 243.30 252.90 312.45 322.35 325.78 345.22 387.42 397.98 445.46 479.25 486.46 498.39 520.26 566.20 589.12 591.74 612.40 636.64 662.12 671.47 715.19 724.62 756.36 772.44 785.64 826.30 857.10 892.51 923.00 940.23 968.27 996.07 1006.14 1006.90 1020.25 1071.26 1077.27 1104.89 1121.71 1141.37 1161.75 1180.43 1189.01 1210.96 1218.22 1241.03 1327.37 1328.92 1341.86 1374.23 1383.10 1408.19 1419.43 1435.38 1461.31 1488.73 1533.54 1546.64 1548.02 1557.61 1575.24 1582.38 1586.85 1604.33 1624.01 1685.45 1705.41 1717.74 1740.21 1744.81 1766.34 1800.21 1844.51 1845.42 1874.76 1896.89 1902.83 1916.91 1922.91 1966.20 1992.43 1999.61 2003.21 2029.83 2043.90 2059.74 2060.98 2087.52 2094.97 2159.31 2226.75 2246.31 2256.45 2270.07 2273.37 2318.28 2337.71 2352.29 2355.51 2362.14 2386.06 2394.87 2443.35 2500.74 2568.99 2579.93 2616.54 2621.87 2627.54 2803.56 2839.74 2935.49 4573.76 4599.88 4633.92 4687.39 4727.01 4739.93 4741.65 4780.43 4808.30 4846.79 4848.64 4848.67 4894.97 4895.80 4900.49 5003.23 5495.48 5573.78
0.403095
0.429341
0.430285
0.340752
-2242.063759
-2242.037513
-2242.036569
-2242.126102
3.002952D-04
MUNgauss
RevisionA2.0
retrievium
15-Jan-2021
DUDE Cc1ccc(cc1NC(=O)[C@@H]2CC(=O)NC3=NC(=NC(=O)[C@H]23)SCc4ccc(cc4)F)Cl C64742584
RHF
6-31G(d)
(6D,10F)
C1
472.077218
|X|Y|Z|
69.388063 41.440511 124.229469
70.954209
26
|36.858105|
|12.591445|36.858105|
|7.589324|13.757788|36.858105|
|5.010728|7.853437|13.756732|36.858105|
|4.442802|6.864343|8.040002|13.836489|36.858105|
|4.983293|7.858340|6.902968|7.900423|13.774596|36.858105|
|7.470653|13.586472|7.973914|6.842395|7.972489|13.718349|36.858105|
|6.675094|7.916969|5.194760|4.537970|5.146666|7.769138|13.467882|53.358707|
|4.559298|5.148485|3.911074|3.683327|4.348919|6.344372|7.642648|19.195746|36.858105|
|3.750020|4.422770|3.617600|3.625999|4.527795|6.628948|6.484194|11.414647|15.856876|73.516695|
|3.923985|3.968716|3.123793|2.895065|3.237370|4.218982|4.995861|10.644173|12.417151|14.311982|36.858105|
|4.258218|4.061247|3.151996|2.843104|3.084474|3.919155|4.838298|10.199896|8.839594|10.613593|17.625419|0.500000|
|3.045590|3.141498|2.612964|2.507240|2.834339|3.563329|3.861960|7.066642|7.610870|12.363349|12.443040|0.246096|36.858105|
|2.641165|2.785846|2.390267|2.353441|2.695575|3.323925|3.410319|5.794821|6.063437|11.835788|7.458464|0.152810|12.595792|36.858105|
|2.321767|2.469794|2.173092|2.176828|2.499951|3.002642|2.978053|4.802553|4.696391|9.590171|5.230011|0.117845|7.994151|16.070805|73.516695|
|2.650891|2.778956|2.388756|2.342131|2.659475|3.248269|3.358394|5.632774|5.667196|10.818045|6.721707|0.137952|7.705539|13.664415|15.162635|53.358707|
|2.993742|3.069646|2.584283|2.474806|2.760268|3.387495|3.666177|6.327040|6.126000|10.424760|7.531862|0.154189|6.587827|7.771666|9.687317|19.242691|36.858105|
|2.798245|2.862652|2.465725|2.371613|2.610417|3.103500|3.310287|5.361826|4.721230|8.254276|5.179782|0.117176|4.572783|5.317477|7.537202|11.444501|14.926166|53.358707|
|3.021029|2.993121|2.565950|2.411102|2.579959|3.016876|3.327022|5.309942|4.298436|7.106183|4.640755|0.112147|3.837561|4.047074|5.916467|7.390429|8.436667|18.829639|36.858105|
|3.588795|3.399122|2.830801|2.573955|2.697814|3.172198|3.682751|6.027202|4.592575|7.088384|5.034859|0.127901|3.858423|3.757296|5.465056|6.306338|6.889427|10.786284|14.819412|53.358707|
|4.212115|3.909525|3.103352|2.772527|2.930143|3.574135|4.361823|7.922169|6.092860|8.513331|7.361955|0.189396|4.897667|4.369804|6.114326|6.943259|7.608059|9.239928|8.355457|18.936232|36.858105|
|5.271548|4.471987|3.422838|2.937625|3.018020|3.653412|4.722673|8.648826|5.791612|7.785324|6.660929|0.200284|4.415277|3.736404|5.397365|5.503457|5.306372|6.496415|5.628948|11.480668|15.920625|73.516695|
|3.581564|3.511679|2.835503|2.621196|2.867092|3.575329|4.160466|7.887137|7.465318|10.492281|12.373794|0.248253|7.665429|6.590345|8.313310|10.643435|12.681908|10.603523|7.017919|10.459159|12.490841|14.408196|36.858105|
|3.164822|3.023174|2.494841|2.306622|2.484026|3.004439|3.444556|6.204833|5.496127|8.148962|8.940399|0.220565|7.109431|6.020438|7.907914|9.214074|9.187061|8.817687|6.005790|8.847417|9.132789|12.222251|17.459068|0.500000|
|2.509669|2.497498|2.233116|2.130748|2.246529|2.517244|2.685563|4.026852|3.146942|5.418882|3.263520|0.081915|2.879200|3.093767|4.804110|5.367680|5.046700|10.063916|10.921220|9.833381|4.874537|6.923252|4.285159|0.110398|388.023441|
|2.613636|2.511211|2.261563|2.110031|2.154350|2.364161|2.580266|3.789278|2.803541|4.689501|2.884669|0.075675|2.490146|2.544699|3.987393|4.137340|3.782731|6.422965|6.854221|9.075192|4.528341|6.994651|3.635221|0.095518|74.115054|36.858105|
|2.217881|2.151424|1.990174|1.882812|1.910293|2.049626|2.188700|3.137163|2.317008|3.953590|2.357816|0.062273|2.099304|2.165597|3.476501|3.451634|2.995167|4.940320|4.614634|5.946646|3.333131|5.347236|2.842193|0.075883|49.698515|12.616004|36.858105|
|1.964818|1.893052|1.756685|1.665356|1.688644|1.807013|1.924087|2.773232|2.062544|3.523377|2.137348|0.056951|1.940340|2.001298|3.244109|3.154106|2.679730|4.317373|3.845215|4.970140|2.910899|4.719778|2.556165|0.070157|38.424681|7.555714|13.707008|36.858105|
|1.746448|1.694026|1.595020|1.524751|1.540739|1.628108|1.713665|2.437423|1.808222|3.118946|1.856312|0.049625|1.709119|1.767327|2.905428|2.743507|2.270752|3.582204|3.046923|3.946768|2.408724|3.970158|2.163271|0.059418|28.762199|5.012552|7.884354|13.761858|36.858105|
|1.715434|1.681628|1.603132|1.543623|1.554870|1.625070|1.694389|2.372867|1.749373|3.041391|1.763379|0.047022|1.623298|1.682349|2.780604|2.597842|2.131714|3.349429|2.812296|3.643291|2.247621|3.731023|2.023111|0.054801|26.210774|4.459729|6.898240|8.023833|13.828228|36.858105|
|1.869559|1.848742|1.769440|1.707438|1.717988|1.789187|1.860368|2.579336|1.889632|3.293855|1.873935|0.049698|1.707069|1.770471|2.913997|2.746364|2.270577|3.598820|3.056693|3.956256|2.413585|3.999782|2.146806|0.057158|28.866184|5.013146|7.884625|6.875803|7.902932|13.825518|36.858105|
|2.143511|2.114528|1.995938|1.909692|1.928184|2.033000|2.136951|2.985737|2.184677|3.779059|2.164048|0.057058|1.937295|2.005748|3.255832|3.158265|2.679297|4.346007|3.864410|4.988589|2.919252|4.769121|2.529223|0.066542|38.666481|7.556327|13.703092|7.970735|6.875171|8.023364|13.764741|36.858105|
|1.542218|1.516591|1.458983|1.413012|1.420192|1.472280|1.524177|2.121119|1.562905|2.730744|1.571726|0.042061|1.461820|1.514789|2.527499|2.311115|1.865465|2.881533|2.358992|3.070414|1.943027|3.256295|1.775173|0.048274|21.043323|3.401485|4.657121|5.313078|8.169290|14.334728|8.168274|5.312975|97.533100|
|3.158211|4.215305|4.784974|7.049486|10.922753|7.064490|4.775626|5.037852|3.453496|6.780882|2.703167|0.070680|2.497622|2.466537|4.205369|3.300011|2.437121|3.176259|2.259233|3.115887|2.425305|4.326169|2.436084|0.059704|14.415498|1.914824|1.735474|1.548176|1.430743|1.454123|1.602295|1.770347|3.018136|448.794386|
|17.554933|8.778851|5.870353|4.271860|3.957135|4.539725|6.609490|9.094461|4.721458|6.772401|4.212784|0.126153|3.166687|2.762633|4.252398|3.872430|3.325153|4.280956|3.518098|5.962335|5.181578|12.288081|4.064634|0.098745|20.377021|3.044233|2.516926|2.203980|1.930650|1.884209|2.060553|2.401481|3.770066|23.416255|0.500000|
|17.516477|8.796147|5.909244|4.291530|3.966629|4.538758|6.584035|9.026884|4.620290|6.611066|4.143851|0.131773|3.223926|2.705821|4.227483|3.608409|2.953569|3.671002|2.861203|4.602879|4.104862|9.302727|3.626310|0.090806|16.761356|2.424003|2.064387|1.856935|1.653570|1.611654|1.735771|1.974535|3.274076|23.464027|0.301635|0.500000|
|17.600750|8.890029|7.367726|4.798561|4.005053|4.171218|5.551277|6.617820|3.628290|5.538051|3.215023|0.096133|2.598761|2.297285|3.647493|3.148760|2.585695|3.353532|2.674812|4.264897|3.518737|7.599361|3.010601|0.075635|16.354777|2.446231|2.117361|1.885217|1.691933|1.671756|1.821264|2.067517|3.401455|23.635227|0.302536|0.303091|0.500000|
|7.094535|8.970161|17.717533|8.969648|5.700532|4.967561|5.663232|5.727805|3.286160|5.391392|2.752459|0.078257|2.329214|2.134786|3.469802|2.914633|2.321133|3.046555|2.358640|3.559723|2.825109|5.596028|2.549411|0.063456|14.870358|2.164168|1.925819|1.708585|1.560211|1.571912|1.731267|1.938716|3.232056|31.689677|0.153211|0.154499|0.229641|0.500000|
|4.092458|5.608370|8.881412|17.755344|8.922256|5.631140|4.939038|4.919414|3.058428|5.420235|2.490321|0.068109|2.203639|2.092644|3.484763|2.839759|2.187989|2.885610|2.157399|3.105720|2.415690|4.520382|2.289594|0.056785|13.864884|1.943889|1.763093|1.567928|1.449431|1.476824|1.632607|1.805332|3.063875|53.698170|0.099129|0.099603|0.114258|0.215382|0.500000|
|4.063722|5.612024|4.977883|5.648308|8.944785|17.848729|8.900170|9.608154|6.965705|15.365096|4.480261|0.110713|3.948596|3.797557|6.155324|4.965153|3.665058|4.491371|3.084436|4.281471|3.536720|6.191246|3.728264|0.086498|18.195041|2.331482|2.024859|1.793527|1.616655|1.609523|1.765034|2.000841|3.283951|54.167118|0.106902|0.106737|0.095848|0.107947|0.124306|0.500000|
|7.994888|7.576540|4.894989|4.056542|4.289730|5.752080|9.284312|26.050253|9.586415|10.923194|7.695292|0.236905|4.900985|3.918062|5.757642|5.260835|4.494252|5.237583|3.976793|6.506200|6.678346|14.944446|6.059781|0.135973|21.265309|2.899188|2.373516|2.105135|1.838250|1.775975|1.920904|2.230713|3.561271|25.501343|0.239436|0.233830|0.152968|0.115670|0.092015|0.143921|0.500000|
|2.989863|3.147340|2.646108|2.570912|2.938090|3.694343|3.901107|6.888675|7.096896|12.284781|8.735476|0.204820|17.639332|9.080104|13.309027|7.856210|4.945327|5.077813|3.219855|4.433773|4.020017|6.764719|5.528110|0.142766|17.896570|2.218084|1.901375|1.761123|1.568932|1.501939|1.581060|1.778120|3.065953|20.975065|0.083796|0.089004|0.071185|0.065224|0.062797|0.115421|0.128756|0.500000|
|2.790814|2.788922|2.347894|2.234321|2.468002|3.003238|3.280264|5.800056|5.540819|8.884873|8.858122|0.220459|17.519608|9.068548|12.010670|8.753187|5.731015|5.675395|3.591380|4.954743|4.556320|7.414860|6.851128|0.209601|19.531959|2.404928|2.038974|1.913125|1.686174|1.587559|1.651654|1.863487|3.224179|17.611449|0.081022|0.082966|0.067179|0.059170|0.055216|0.090010|0.117788|0.302846|0.500000|
|2.388696|2.524916|2.219754|2.208423|2.510098|2.994319|3.009179|4.813634|4.589439|9.135106|5.004819|0.109626|5.654348|9.340784|13.970858|25.913330|9.487166|10.648361|5.008594|5.582255|4.230824|6.100936|5.703339|0.143103|28.068941|2.957822|2.522738|2.314270|2.030415|1.931617|2.040739|2.329353|3.878940|18.863419|0.070804|0.065739|0.058747|0.055551|0.055243|0.093832|0.091447|0.129524|0.137854|0.500000|
|2.627028|2.462165|2.194736|2.024533|2.056883|2.268518|2.513022|3.757150|2.773712|4.556196|2.944630|0.078649|2.532121|2.540058|3.959463|4.081946|3.751671|6.124473|6.497434|9.483105|4.788212|7.494317|3.764000|0.102236|56.461339|17.650659|8.843665|7.110602|4.712668|3.990326|4.199315|5.646280|7.050524|14.590156|0.085585|0.068648|0.068279|0.058648|0.051729|0.062000|0.081469|0.062278|0.069078|0.079739|0.500000|
|2.958121|2.836579|2.548143|2.351770|2.378387|2.603735|2.874916|4.158827|2.994380|4.962951|2.993444|0.078840|2.524156|2.541949|3.967678|4.078168|3.740569|6.158898|6.534866|9.569800|4.815247|7.651760|3.697009|0.094301|56.546415|17.651552|8.838475|5.654267|4.201993|3.989246|4.705907|7.088240|7.049050|16.689714|0.097447|0.074548|0.076945|0.067761|0.059876|0.070235|0.088678|0.062927|0.066819|0.080091|0.303472|0.500000|
|1.960038|1.871234|1.720862|1.623858|1.650355|1.779777|1.908276|2.789560|2.088007|3.540630|2.208252|0.059126|2.011050|2.065095|3.335062|3.255101|2.776978|4.438066|3.955094|5.153144|3.031107|4.894385|2.673537|0.074884|37.734775|7.006310|8.911163|17.710441|8.956757|5.690333|4.952935|5.656860|9.623445|12.104367|0.061189|0.051984|0.052001|0.046436|0.042316|0.049199|0.059249|0.050373|0.055698|0.065905|0.213433|0.143590|0.500000|
|1.616405|1.563753|1.474223|1.410673|1.425270|1.504486|1.581561|2.254739|1.677212|2.894173|1.734626|0.046595|1.613091|1.665806|2.754744|2.563778|2.097338|3.259445|2.716676|3.535551|2.203989|3.654872|2.007098|0.055765|24.609124|4.077618|5.608613|8.852563|17.743349|8.961848|5.645212|4.955413|16.713112|10.669411|0.049323|0.042843|0.043586|0.040141|0.037339|0.041583|0.047290|0.041237|0.044532|0.052741|0.111443|0.096676|0.214024|0.500000|
|1.798403|1.794563|1.739828|1.692574|1.697438|1.747308|1.799184|2.462009|1.795849|3.151804|1.760147|0.046701|1.610059|1.670456|2.767656|2.567901|2.097102|3.281582|2.728902|3.547567|2.210547|3.695779|1.984067|0.052573|24.724236|4.078155|5.608763|4.955761|5.645294|8.960818|17.743647|8.854306|16.710651|12.826299|0.054532|0.046245|0.048961|0.047433|0.045310|0.047801|0.050619|0.041744|0.043106|0.053156|0.096590|0.111254|0.107564|0.124631|0.500000|
|2.315524|2.313537|2.195398|2.106983|2.125030|2.230247|2.334818|3.216161|2.332507|4.049300|2.261776|0.059342|2.005127|2.073975|3.358094|3.263528|2.776358|4.494512|3.993045|5.190384|3.048157|4.994086|2.619554|0.067617|38.152913|7.008027|8.910202|5.657136|4.952670|5.689911|8.956990|17.711263|9.622937|15.598655|0.072157|0.058460|0.061992|0.059027|0.055257|0.060637|0.066256|0.051307|0.052971|0.066722|0.143262|0.212169|0.124195|0.107559|0.214039|0.500000|
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