Version2.4
2021-06-07T10:38:41Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
06-Jun-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1ccc(c(c1)C(=O)C2=C(C(=O)N([C@H]2c3cccc(c3)[N+](=O)[O-])c4nc5ccc(cc5s4)C)[O-])C C34954936
RHF
6-31G(d)
(6D,7F)
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N([C@H]2c3cccc(c3)[N+](=O)[O-])c4nc5ccc(cc5s4)C)[O-])C
C01[X(C27H20N3O5S1)]
162
C1
584
Cc1ccc(c(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(c1)[N+](=O)[O-])c1sc2c(n1)ccc(c2)C)C
Cc1ccc(c(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(c1)[N+](=O)[O-])c1sc2c(n1)ccc(c2)C)C
Cc1ccc2nc(sc2c1)N3[C@@H](c4cccc(c4)[N+]([O-])=O)C(=C([O-])C3=O)C(=O)c5cc(C)ccc5C
InChIKey=SXEDKPFQAOEDKN-QHCPKHFHSA-M
InChI=1S/C27H21N3O5S/c1-14-7-9-16(3)19(11-14)24(31)22-23(17-5-4-6-18(13-17)30(34)35)29(26(33)25(22)32)27-28-20-10-8-15(2)12-21(20)36-27/h4-13,23,32H,1-3H3/p-1/t23-/m0/s1
InChI=1/C27H21N3O5S/c1-14-7-9-16(3)19(11-14)24(31)22-23(17-5-4-6-18(13-17)30(34)35)29(26(33)25(22)32)27-28-20-10-8-15(2)12-21(20)36-27/h4-13,23,32H,1-3H3/p-1/t23-/m0/s1/fC27H20N3O5S/h32h/q-1
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N([C@H]2c3cccc(c3)[N+](=O)[O-])c4nc5ccc(cc5s4)C)[O-])C
C01[X(C27H20N3O5S1)]
162
C01
584
Cc1ccc(c(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(c1)[N+](=O)[O-])c1sc2c(n1)ccc(c2)C)C
C[C]1[CH][CH][C]2[C]([CH]1)SC(=N2)N1C(=O)[C]([C]([C](=O)[C]2[CH][C]([CH][CH][C]2C)C)[C@@H]1[C]1[CH][CH][CH][C]([CH]1)[N]([O])[O])=O
C[C]1[CH][CH][C]2N=C(S[C]2[CH]1)N3[C@@H]([C]4[CH][CH][CH][C]([CH]4)N([O])[O])[C](C(=O)[C]5[CH][C](C)[CH][CH][C]5C)C(=O)C3=O
InChIKey=KHWDXAIFXGCUEP-QHCPKHFHSA-N
InChI=1S/C27H20N3O5S/c1-14-7-9-16(3)19(11-14)24(31)22-23(17-5-4-6-18(13-17)30(34)35)29(26(33)25(22)32)27-28-20-10-8-15(2)12-21(20)36-27/h4-13,23H,1-3H3/t23-/m0/s1
InChI=1/C27H20N3O5S/c1-14-7-9-16(3)19(11-14)24(31)22-23(17-5-4-6-18(13-17)30(34)35)29(26(33)25(22)32)27-28-20-10-8-15(2)12-21(20)36-27/h4-13,23H,1-3H3/t23-/m0/s1
3997.3314768141
-1969.2245749
1-A
17450.3825
130
454
584
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8.59846
-6.0499 -9.5498 2.1904
11.5151
|XX|YY|ZZ|XY|XZ|YZ|
-250.4600 -308.5786 -213.7150 -19.9774 -1.1921 15.2482
|XX|YY|ZZ|XY|XZ|YZ|
7.1245 -50.9941 43.8695 -19.9774 -1.1921 15.2482
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-175.2940 -125.0217 -31.7872 -100.6442 -123.3487 -1.9125 27.6517 -23.2855 99.5457 18.6574
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-14869.6475 -8389.0244 -2729.2921 -422.4489 -87.1915 -160.2197 212.8275 -11.9676 27.0823 -3806.9213 -2971.0513 -1640.4881 -20.5562 62.7369 0.3886
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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|A|A|A|
15.3702 20.3979 26.4959 31.5976 37.3637 38.2329 45.7050 48.2645 54.0146 56.8144 70.5416 90.8989 94.7853 106.4355 107.6369 143.2659 149.5468 160.6847 185.2861 189.9229 204.2825 225.3839 236.0136 239.4945 261.8854 269.5241 305.0281 317.3566 343.9341 348.3213 351.0080 358.2988 390.2162 404.0953 425.4368 445.3758 449.9934 455.4561 477.4294 490.3636 498.4897 500.7301 529.0131 541.1619 575.0118 578.0872 584.0540 595.2611 631.9690 653.3375 685.8859 708.1853 713.0443 726.1962 739.2353 752.9438 759.3793 766.1048 788.5665 802.5042 820.9106 840.1962 854.4004 864.2246 874.0226 888.7955 911.8908 913.8305 915.6813 921.3358 929.6441 932.7962 973.1105 988.3973 1013.1840 1016.9978 1023.3104 1049.5545 1062.3683 1072.4394 1077.2351 1085.4664 1093.2368 1097.9532 1122.1854 1127.8490 1134.0178 1170.3453 1170.6241 1174.1237 1175.7184 1193.6559 1201.9533 1220.8051 1225.1847 1234.8401 1242.7533 1248.3312 1297.6842 1311.1255 1318.4050 1319.6274 1330.7251 1331.6206 1339.3980 1345.0990 1380.7400 1391.4286 1423.2654 1431.7525 1437.0722 1443.4504 1489.7822 1516.2863 1550.4323 1559.9169 1565.0944 1568.8277 1569.2973 1575.4406 1603.4930 1629.2985 1631.1155 1631.9909 1633.9970 1639.4489 1643.8265 1646.6373 1649.6300 1657.2941 1667.0927 1723.8302 1758.7772 1771.5937 1780.4659 1790.4739 1814.7194 1817.7664 1821.0551 1854.5873 1949.1971 2003.4426 3194.4217 3196.2450 3207.7656 3241.7613 3246.7476 3260.9455 3265.0755 3267.6284 3270.4384 3279.2780 3334.0145 3345.2144 3350.2495 3356.5033 3359.3101 3372.0561 3388.1995 3397.0324 3436.2810 3452.4086
6.1967 6.0090 5.7387 4.8480 5.0554 6.5352 1.9646 1.7853 1.1193 5.9039 7.2200 6.5578 6.1785 1.8140 2.2235 7.5337 2.7696 4.9127 5.7221 5.3471 5.3350 6.0940 5.8656 4.8466 7.6031 5.7541 3.6175 7.2831 6.0724 3.5289 6.1973 6.1719 9.4525 4.4453 5.5448 6.8340 5.0425 4.0478 3.2907 3.4518 4.4141 5.5946 4.5437 5.5966 10.8594 6.7178 7.1744 6.5292 3.5194 5.1663 6.8776 7.5438 8.8408 6.1624 4.0956 4.9667 6.2811 5.2565 3.4789 5.6714 4.4324 4.0274 4.7690 5.6889 6.5413 7.1234 3.0114 1.8202 2.3083 4.0416 1.4252 5.0597 5.3397 1.3330 4.6389 2.6125 2.1595 1.6129 1.3457 1.7888 1.3914 1.3256 6.0480 1.5405 1.3623 1.6124 2.7553 1.5259 1.4958 1.5502 2.5762 5.9408 1.6518 2.4550 2.0994 1.5913 3.0031 2.4501 2.5204 3.4099 2.9610 2.2866 1.9749 2.2180 2.3782 5.6599 3.9813 2.4496 2.3151 1.4796 1.7201 2.8096 1.5989 2.0319 3.9874 1.7228 1.3229 1.5267 1.5586 3.4491 2.5932 1.0636 1.3698 1.0457 3.0112 1.0968 1.2694 1.1195 2.3046 2.4064 2.6194 10.2605 6.2645 5.3799 5.7680 6.1444 6.2749 6.7280 9.4473 10.6082 12.8264 13.0469 1.0379 1.0374 1.0367 1.1024 1.1019 1.0864 1.1024 1.1023 1.1013 1.1026 1.0879 1.0900 1.0914 1.0952 1.0919 1.0901 1.0951 1.0942 1.0943 1.0927
0.0009 0.0015 0.0024 0.0029 0.0042 0.0056 0.0024 0.0025 0.0019 0.0112 0.0212 0.0319 0.0327 0.0121 0.0152 0.0911 0.0365 0.0747 0.1157 0.1136 0.1312 0.1824 0.1925 0.1638 0.3072 0.2463 0.1983 0.4322 0.4232 0.2523 0.4499 0.4668 0.8480 0.4277 0.5913 0.7987 0.6016 0.4947 0.4419 0.4890 0.6463 0.8265 0.7492 0.9657 2.1155 1.3227 1.4419 1.3631 0.8281 1.2993 1.9063 2.2291 2.6483 1.9147 1.3186 1.6590 2.1340 1.8177 1.2746 2.1520 1.7599 1.6751 2.0512 2.5034 2.9442 3.3155 1.4754 0.8956 1.1403 2.0213 0.7257 2.5939 2.9791 0.7673 2.8057 1.5920 1.3323 1.0468 0.8948 1.2122 0.9513 0.9202 4.2589 1.0941 1.0107 1.2084 2.0876 1.2314 1.2077 1.2591 2.0981 4.9872 1.4060 2.1557 1.8568 1.4296 2.7327 2.2496 2.5006 3.4537 3.0323 2.3460 2.0605 2.3173 2.5137 6.0335 4.4720 2.7943 2.7631 1.7871 2.0930 3.4490 2.0908 2.7524 5.6474 2.4699 1.9093 2.2139 2.2615 5.0438 3.9284 1.6635 2.1472 1.6409 4.7369 1.7368 2.0210 1.7884 3.6950 3.8942 4.2891 17.9642 11.4172 9.9484 10.7731 11.6055 12.1753 13.0982 18.4589 21.4975 28.7123 30.8540 6.2401 6.2442 6.2848 6.8256 6.8436 6.8068 6.9243 6.9344 6.9402 6.9858 7.1248 7.1867 7.2176 7.2696 7.2596 7.3028 7.4067 7.4399 7.6131 7.6737
0.5934 0.3448 1.1351 0.3134 0.6804 0.3102 0.3131 0.2237 0.0354 0.8920 2.3864 3.2081 4.6408 0.1517 0.4092 1.7014 0.8671 0.7034 2.1123 4.2134 0.8838 2.1712 7.4750 1.3326 10.0727 0.2844 3.0683 0.3010 0.2853 1.4250 2.6091 1.7447 7.9282 2.7981 4.3824 6.4074 4.5125 1.3336 0.2212 1.3851 1.7914 8.7241 0.9964 2.1661 21.9639 0.5525 3.1907 6.7641 6.3770 25.0603 7.4796 6.5249 13.7081 14.4436 18.6357 13.9373 15.5752 17.1946 35.1769 14.7322 0.3932 3.4575 35.6911 46.2114 3.2266 9.4096 21.6925 16.6027 12.2590 24.6697 37.4689 3.2504 2.0807 4.1871 1.4978 7.8866 22.0752 7.9241 1.3973 5.5311 1.8365 1.2131 0.1690 9.2894 0.8141 6.9361 31.4440 2.0459 2.5482 1.7457 2.4596 27.3470 9.2312 4.8517 7.8111 0.5027 38.1498 31.6967 151.6767 6.6818 24.1636 25.6138 24.3530 68.1441 5.1228 61.1418 16.0715 27.5458 191.3420 3.2886 116.4634 439.8383 97.4856 524.4467 273.1108 121.7056 11.6054 23.2871 11.1961 247.6738 55.2988 1.8660 64.2334 3.1908 224.0584 9.8457 53.1637 9.8659 142.2710 1.5442 7.3629 562.4726 2.3696 9.1487 74.8079 109.4418 52.1204 115.6925 278.9963 290.1642 835.7696 415.2653 73.3862 52.3486 35.2836 39.7031 35.4954 25.2773 41.4679 33.3431 28.7503 15.5832 20.1553 30.1640 24.7374 46.4583 22.6156 17.1928 10.0141 5.4148 1.0307 1.0866
0.6772 5.7787 4.7764 0.8616 5.2220 5.9276 1.6039 1.6522 0.6436 0.5251 0.7083 1.4117 1.0055 0.6144 0.7978 1.6964 0.5015 1.1819 2.2949 3.4141 1.0668 1.0241 1.6759 6.3306 2.1706 2.2514 1.8910 1.4758 2.5334 2.3306 0.0740 2.9989 1.9311 3.0653 3.2010 2.6506 1.8212 1.4302 0.3517 0.0814 3.8811 7.1771 1.5255 5.7067 1.2420 6.4637 1.2102 1.2179 0.1759 5.0636 2.8476 3.2511 3.1158 1.6858 4.7865 7.5488 3.3147 5.0085 2.2112 6.2463 2.2690 2.2419 2.7045 5.6324 6.1721 9.3311 2.0866 3.2830 2.5491 2.9494 1.1456 9.3747 4.4204 2.3502 4.1147 4.3477 3.3857 0.8099 1.1524 0.4132 1.7619 1.1281 25.3078 16.9072 0.5332 2.9678 7.5040 1.4165 0.3637 0.0675 1.3370 10.6331 0.9493 2.3609 6.2836 0.3481 4.3857 7.6669 11.0589 3.3245 16.6959 1.1742 6.8112 3.3363 35.3930 7.3958 47.8798 42.0369 100.2203 0.7117 17.0772 1.2239 7.3465 11.0457 28.8988 9.6988 42.8591 18.1420 4.9053 8.7671 7.0420 18.4667 54.4917 23.9612 62.2096 15.0599 18.7451 8.7089 127.3424 8.8555 1.6041 443.5689 33.8585 10.3550 18.1973 30.1756 94.3410 27.4549 70.7964 2.2285 50.4982 84.7188 230.9407 143.9762 136.0960 126.1310 79.1392 28.4447 65.1711 61.4616 68.8026 56.3441 63.8228 108.6992 21.2711 187.7123 86.3341 88.9425 83.9573 64.4644 90.9290 18.6048
0.7004 0.7500 0.7495 0.7471 0.7166 0.7303 0.7323 0.7481 0.7500 0.7394 0.7455 0.6419 0.5680 0.7320 0.7472 0.7248 0.7490 0.7492 0.7331 0.7486 0.7499 0.7132 0.3487 0.6830 0.1914 0.3081 0.7324 0.0788 0.4549 0.7496 0.4631 0.7210 0.1509 0.4201 0.7379 0.2827 0.1127 0.6718 0.7084 0.7416 0.3371 0.3517 0.6434 0.3832 0.3519 0.3743 0.1515 0.5908 0.4782 0.4526 0.4601 0.3432 0.7424 0.1856 0.1211 0.0597 0.3153 0.3337 0.2731 0.1835 0.7484 0.3716 0.7232 0.3874 0.0380 0.0216 0.4188 0.5031 0.2477 0.7141 0.7337 0.0316 0.7475 0.7500 0.0952 0.2323 0.1656 0.3503 0.7494 0.3983 0.6004 0.7061 0.0978 0.3586 0.6108 0.3667 0.4156 0.5256 0.7270 0.6495 0.4413 0.2565 0.7275 0.7278 0.4205 0.1851 0.1782 0.3880 0.2162 0.2862 0.2023 0.6680 0.3423 0.7397 0.2066 0.2769 0.0731 0.3575 0.3083 0.6423 0.3898 0.6927 0.5550 0.7484 0.4398 0.2159 0.4567 0.5020 0.7444 0.6577 0.6172 0.7214 0.5945 0.7496 0.2135 0.6494 0.4355 0.7221 0.3459 0.1354 0.5014 0.3149 0.5457 0.6340 0.6070 0.7021 0.5093 0.6412 0.6821 0.3266 0.2492 0.1406 0.0712 0.0423 0.0232 0.7494 0.7467 0.1731 0.7317 0.7423 0.7480 0.7362 0.7480 0.3961 0.4448 0.1872 0.2793 0.4723 0.1999 0.1695 0.2476 0.2434
0.8238 0.8571 0.8568 0.8552 0.8349 0.8442 0.8455 0.8559 0.8571 0.8502 0.8542 0.7819 0.7245 0.8453 0.8553 0.8404 0.8565 0.8566 0.8460 0.8562 0.8570 0.8326 0.5171 0.8117 0.3213 0.4711 0.8456 0.1461 0.6254 0.8569 0.6330 0.8379 0.2622 0.5916 0.8492 0.4408 0.2026 0.8037 0.8293 0.8516 0.5042 0.5204 0.7830 0.5541 0.5206 0.5447 0.2632 0.7427 0.6470 0.6231 0.6303 0.5110 0.8521 0.3130 0.2160 0.1126 0.4794 0.5004 0.4290 0.3102 0.8561 0.5419 0.8394 0.5585 0.0733 0.0423 0.5903 0.6694 0.3970 0.8332 0.8464 0.0613 0.8555 0.8571 0.1738 0.3771 0.2841 0.5189 0.8568 0.5697 0.7503 0.8277 0.1782 0.5279 0.7584 0.5367 0.5871 0.6891 0.8419 0.7875 0.6123 0.4083 0.8423 0.8425 0.5920 0.3123 0.3025 0.5591 0.3555 0.4450 0.3365 0.8009 0.5100 0.8504 0.3424 0.4337 0.1363 0.5267 0.4713 0.7822 0.5610 0.8185 0.7139 0.8561 0.6110 0.3551 0.6270 0.6685 0.8535 0.7935 0.7633 0.8382 0.7457 0.8569 0.3518 0.7874 0.6067 0.8386 0.5140 0.2385 0.6679 0.4790 0.7061 0.7760 0.7555 0.8250 0.6749 0.7813 0.8110 0.4924 0.3989 0.2466 0.1329 0.0812 0.0454 0.8568 0.8550 0.2952 0.8451 0.8521 0.8558 0.8481 0.8558 0.5674 0.6158 0.3153 0.4366 0.6415 0.3331 0.2899 0.3969 0.3916
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
6 6 6 6 6 6 6 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 7 8 8 6 7 6 6 6 6 6 6 16 6 8 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 15.99491 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
12696.4245 22346.9431 28074.5380
1.00000 0.00128 -0.00164 -0.00127 0.99997 0.00765 0.00165 -0.00765 0.99997
1
0.00682 0.00388 0.00309
0.14215 0.08076 0.06428
22.11 29.35 38.12 45.46 53.76 55.01 65.76 69.44 77.71 81.74 101.49 130.78 136.37 153.14 154.87 206.13 215.16 231.19 266.59 273.26 293.92 324.28 339.57 344.58 376.79 387.79 438.87 456.61 494.84 501.16 505.02 515.51 561.43 581.40 612.11 640.80 647.44 655.30 686.91 705.52 717.22 720.44 761.13 778.61 827.31 831.74 840.32 856.45 909.26 940.01 986.84 1018.92 1025.91 1044.83 1063.59 1083.32 1092.58 1102.25 1134.57 1154.62 1181.11 1208.85 1229.29 1243.43 1257.52 1278.78 1312.01 1314.80 1317.46 1325.60 1337.55 1342.09 1400.09 1422.08 1457.75 1463.23 1472.32 1510.07 1528.51 1543.00 1549.90 1561.74 1572.92 1579.71 1614.57 1622.72 1631.60 1683.87 1684.27 1689.30 1691.60 1717.40 1729.34 1756.47 1762.77 1776.66 1788.04 1796.07 1867.08 1886.42 1896.89 1898.65 1914.62 1915.90 1927.09 1935.30 1986.58 2001.96 2047.76 2059.97 2067.63 2076.80 2143.46 2181.60 2230.73 2244.37 2251.82 2257.19 2257.87 2266.71 2307.07 2344.20 2346.81 2348.07 2350.96 2358.80 2365.10 2369.14 2373.45 2384.48 2398.57 2480.21 2530.49 2548.93 2561.69 2576.09 2610.98 2615.36 2620.09 2668.34 2804.46 2882.51 4596.06 4598.68 4615.26 4664.17 4671.35 4691.77 4697.72 4701.39 4705.43 4718.15 4796.90 4813.02 4820.26 4829.26 4833.30 4851.64 4874.86 4887.57 4944.04 4967.25
0.449944
0.479928
0.480873
0.383882
-1968.774631
-1968.744647
-1968.743702
-1968.840693
3.253094D-04
MUNgauss
RevisionA2.1
retrievium
07-Jun-2021
DUDE Cc1ccc(c(c1)C(=O)C2=C(C(=O)N([C@H]2c3cccc(c3)[N+](=O)[O-])c4nc5ccc(cc5s4)C)[O-])C C34954936
RHF
6-31G(d)
(6D,10F)
C1
498.112368
|X|Y|Z|
101.883639 70.563215 45.725893
69.015769
27
|36.858105|
|12.604515|36.858105|
|7.533770|13.772014|36.858105|
|5.008112|7.914903|13.721318|36.858105|
|4.400774|6.761192|7.867714|13.752251|36.858105|
|5.004348|7.845605|6.868207|7.973253|13.604696|36.858105|
|7.557263|13.682615|8.012234|6.952053|7.912062|13.772001|36.858105|
|3.791124|4.999562|4.432892|5.012160|7.482822|12.490914|7.591052|36.858105|
|3.448371|4.325970|3.863218|4.272645|5.865038|8.164713|6.086423|15.734652|73.516695|
|3.259140|4.062135|3.696415|4.136361|5.680737|7.525253|5.553997|13.300562|14.387057|36.858105|
|2.652218|3.139132|2.912837|3.220800|4.141935|4.935202|3.997014|7.569172|11.475376|13.519220|36.858105|
|2.398215|2.776763|2.627227|2.883297|3.534169|3.956837|3.357807|5.092083|7.682556|8.104174|12.379700|36.858105|
|2.089272|2.365926|2.259997|2.459198|2.921381|3.179702|2.777186|3.918068|6.261016|5.426631|7.733555|15.975759|73.516695|
|2.642417|3.095297|2.943151|3.228367|3.923182|4.347043|3.709451|5.130926|7.243150|8.167072|8.089374|13.789698|14.873985|53.358707|
|3.304104|4.069453|3.774388|4.160663|5.319771|6.363413|5.180251|7.313990|9.070982|12.546793|7.881380|8.003553|9.622371|17.576695|36.858105|
|3.377354|4.292093|4.216172|4.879732|6.268836|6.630715|5.193233|6.516954|8.253836|8.698610|5.963283|6.104091|8.073834|12.464758|17.606818|0.500000|
|3.742335|4.376759|3.812600|3.851650|4.492822|5.587559|5.450134|5.711586|7.651472|7.398692|5.454500|5.559269|7.594716|10.525172|12.426149|0.248837|36.858105|
|3.519019|3.857446|3.256078|3.195488|3.656990|4.631231|4.803423|5.071111|7.347582|6.252740|5.211853|5.142006|7.356000|8.259922|7.491116|0.155799|13.711586|36.858105|
|3.549471|3.611168|3.014913|2.844377|3.093688|3.778637|4.193113|3.881232|5.950181|4.343860|3.801097|3.792596|5.811075|5.885090|4.977131|0.116445|7.868741|13.736204|36.858105|
|3.833782|3.756650|3.162458|2.900867|3.025770|3.557481|4.061754|3.410087|5.223460|3.687245|3.177229|3.219365|5.007141|5.146223|4.388265|0.110607|6.783968|7.933722|13.792570|36.858105|
|4.149142|4.255029|3.679265|3.376871|3.464429|3.961758|4.460840|3.604121|5.349709|3.907774|3.243648|3.328559|5.096846|5.611220|5.005457|0.133783|7.961793|6.979318|8.041276|13.766171|36.858105|
|4.085733|4.653061|4.133198|4.003780|4.301727|4.950402|5.182886|4.468486|6.268858|5.090299|3.976662|4.116015|6.028974|7.509245|7.507561|0.205346|13.744678|7.988876|6.871323|7.854826|13.766602|36.858105|
|3.988541|3.902186|3.540766|3.178192|3.091447|3.340509|3.759310|2.960623|4.516918|3.107929|2.645819|2.722241|4.285422|4.476450|3.822573|0.108227|5.121786|4.551366|5.149757|7.799933|13.083161|7.784985|53.358707|
|3.697292|3.420051|3.084137|2.740845|2.651869|2.868105|3.260899|2.586382|4.049934|2.679473|2.338121|2.390760|3.831387|3.803053|3.154665|0.087714|4.080406|3.916001|4.688107|7.095799|8.362997|5.416511|21.639807|73.516695|
|3.814774|3.879710|3.739444|3.405294|3.224789|3.328782|3.631154|2.887676|4.388930|3.018814|2.562517|2.653534|4.185245|4.408209|3.753607|0.111898|4.666158|3.915811|4.100102|5.422774|8.358259|7.060998|21.712423|16.047066|73.516695|
|2.402632|2.748967|2.672686|2.902012|3.347102|3.523999|3.128892|3.839668|5.657975|5.228236|5.177286|7.819779|11.919169|18.988713|7.665228|0.196931|6.142321|4.916510|3.874505|3.590383|4.013175|5.194055|4.541396|5.027808|5.972200|36.858105|
|2.514205|2.868662|2.835438|3.054239|3.398042|3.477137|3.158057|3.535826|5.192417|4.480067|4.112467|5.300373|8.238301|11.208364|6.721876|0.199193|6.076088|4.590809|3.815967|3.780282|4.514474|5.981001|5.273753|5.662721|7.212180|14.931276|53.358707|
|2.177747|2.418712|2.416400|2.571670|2.772489|2.788326|2.589097|2.817864|4.295712|3.404351|3.262103|4.121527|6.967540|7.411456|4.527966|0.132267|4.329254|3.598359|3.192251|3.233316|3.745458|4.455336|4.675058|5.198752|6.467969|8.683963|18.765950|36.858105|
|2.110279|2.307100|2.337651|2.453476|2.553380|2.522778|2.393661|2.469388|3.811828|2.852741|2.688400|3.198375|5.419328|5.454663|3.651222|0.109350|3.649034|3.084435|2.862649|3.024539|3.560247|4.021441|4.766273|5.344894|6.865186|5.405171|10.525216|13.674436|36.858105|
|1.839273|1.980219|2.007700|2.095583|2.165063|2.136831|2.041050|2.109681|3.325611|2.399764|2.316262|2.730086|4.776946|4.405638|2.927749|0.085804|2.923934|2.582400|2.446542|2.567833|2.907321|3.147483|3.961642|4.624443|5.604366|4.169768|7.028960|7.980931|13.837612|36.858105|
|1.678311|1.803946|1.815621|1.902438|1.991758|1.981788|1.881678|2.001058|3.190359|2.293994|2.279999|2.734892|4.952337|4.265799|2.732854|0.078157|2.684001|2.433726|2.293863|2.344653|2.569288|2.773066|3.415312|4.054263|4.691571|4.042090|6.217444|6.820342|7.842861|13.584743|36.858105|
|1.712007|1.856093|1.852170|1.956240|2.090576|2.102735|1.972277|2.172708|3.456935|2.551467|2.597230|3.243262|6.038639|5.022552|3.046114|0.085336|2.921913|2.662604|2.452882|2.438231|2.637035|2.904295|3.383033|3.991437|4.561772|4.976655|7.122550|7.859214|6.810016|7.943757|13.780954|36.858105|
|1.927830|2.121890|2.106133|2.242852|2.440343|2.474611|2.290916|2.580711|4.024400|3.132270|3.173353|4.157702|7.579552|6.848852|3.913524|0.109044|3.665753|3.239148|2.883782|2.828565|3.107343|3.565889|3.855901|4.438521|5.184435|7.803010|11.069576|13.722869|7.936344|6.950182|7.962817|13.711745|36.858105|
|1.970744|2.193374|2.144091|2.305158|2.596091|2.697339|2.444864|2.962820|4.623175|3.785009|4.111647|6.114638|12.198626|9.445251|4.611536|0.120138|4.045050|3.665900|3.104566|2.879457|3.061652|3.591379|3.630639|4.194183|4.748724|10.765787|9.987071|7.412070|4.879246|4.257425|4.673311|6.712515|10.886058|388.023441|
|1.490118|1.584003|1.596787|1.663209|1.725572|1.713306|1.638983|1.728054|2.796510|1.944736|1.945846|2.278074|4.166615|3.436098|2.247110|0.063937|2.219453|2.056423|1.969756|2.015056|2.169467|2.289054|2.927105|3.553651|3.999008|3.081116|4.563161|4.425272|5.008148|7.545102|12.599636|7.557327|5.026072|25.280895|36.858105|
|2.400996|2.784001|2.592620|2.843433|3.567524|4.153114|3.469171|6.153071|11.085787|7.880088|15.786829|8.019234|11.790103|7.459556|5.272658|0.121485|4.133318|4.170318|3.254673|2.740816|2.739276|3.209699|3.119042|3.674320|3.940654|4.018771|4.491130|2.751605|2.320932|2.048877|2.041919|2.314886|2.741268|24.904315|1.776547|73.516695|
|3.261216|4.399352|5.004392|7.561466|12.590671|7.504645|5.009375|6.419647|9.627141|5.447150|4.309388|3.714307|5.528002|5.426011|4.954758|0.163899|3.861092|3.196136|2.686345|2.590543|2.917380|3.598015|3.578477|4.058823|4.908508|3.420224|4.608957|2.797405|2.543652|2.177406|2.030271|2.152123|2.510615|19.275145|1.760510|6.712451|36.858105|
|17.540220|8.831552|5.856806|4.288032|3.946981|4.596509|6.731418|3.655005|5.816014|3.279470|2.680803|2.465473|3.819263|3.741766|3.428335|0.095611|4.118734|3.952500|4.180110|4.729399|5.059351|4.649981|6.592705|8.075613|7.798823|2.517191|3.607996|2.294198|2.225506|1.932060|1.757056|1.790680|2.020981|14.622216|1.554701|4.276298|3.014382|0.500000|
|17.531127|8.831408|5.882827|4.302323|3.950029|4.579891|6.693431|3.653506|6.169982|3.085640|2.561823|2.282092|3.560308|3.340791|3.012686|0.083749|3.354646|3.283001|3.326839|3.463936|3.562988|3.497632|4.583450|5.702667|5.652563|2.214834|3.097677|1.986471|1.913263|1.686351|1.556654|1.595554|1.786869|13.137826|1.391773|4.205821|3.021669|0.302299|0.500000|
|17.563524|8.833233|7.223680|4.736018|3.936890|4.156397|5.568775|3.217601|5.258604|2.826911|2.349186|2.161467|3.389485|3.242716|2.905421|0.084037|3.228592|3.007849|3.055413|3.363616|3.695161|3.603174|5.136912|6.332869|6.637613|2.211387|3.186738|2.063191|2.033381|1.785706|1.621491|1.636940|1.824542|13.066377|1.449186|3.807244|3.011959|0.301792|0.301581|0.500000|
|6.957030|8.918902|17.688796|8.922462|5.623623|4.947475|5.667380|3.544633|5.659113|3.069891|2.507734|2.308996|3.594714|3.503479|3.175660|0.097916|3.253109|2.835233|2.699640|2.889307|3.345679|3.607829|4.603003|5.351584|6.464893|2.395972|3.495233|2.242799|2.214204|1.923780|1.732781|1.746887|1.959287|13.955732|1.537789|4.021833|4.093185|0.151026|0.151968|0.220862|0.500000|
|4.089337|5.645617|8.938702|17.686485|8.941726|5.655969|4.990575|4.077593|6.399318|3.528663|2.869780|2.630156|4.064179|3.980909|3.592235|0.117825|3.291898|2.762962|2.489288|2.554711|2.962806|3.453806|3.903921|4.446097|5.572196|2.700284|3.900658|2.469819|2.392273|2.063358|1.869812|1.906488|2.161252|15.575395|1.645074|4.569045|7.033099|0.099289|0.099736|0.112924|0.216699|0.500000|
|7.032525|8.916888|5.677854|4.990870|5.641871|8.977672|17.690513|7.127623|10.788945|5.475465|4.069288|3.382509|4.994342|4.978081|4.970475|0.128900|5.609722|5.484068|4.873193|4.504065|4.607380|5.075590|5.096052|5.911428|6.154405|3.058305|4.124095|2.501497|2.298012|1.974671|1.836977|1.935939|2.243582|17.229984|1.605319|6.360311|4.089682|0.192080|0.190230|0.140739|0.124346|0.108126|0.500000|
|3.156878|3.477563|2.972679|2.976812|3.484150|4.434803|4.407765|5.351794|8.028056|6.887534|6.299122|5.903998|8.366790|8.409849|6.991949|0.141271|8.945835|17.734938|8.935711|5.653778|5.008620|5.675250|4.929965|5.724029|5.721788|4.720309|5.628725|3.307574|2.802668|2.394129|2.307206|2.563877|3.100359|26.213288|1.967577|9.008320|3.142827|0.095512|0.084195|0.075370|0.071978|0.072056|0.141326|0.500000|
|3.188361|3.164458|2.660142|2.511075|2.719477|3.286939|3.632901|3.454316|5.519718|3.788178|3.480475|3.437191|5.430510|5.050210|4.071198|0.096370|5.620300|8.915813|17.723397|8.943909|5.688580|4.951688|5.675406|7.163334|6.049653|3.347080|4.399036|2.795622|2.525706|2.213383|2.109753|2.259081|2.602716|20.108531|1.841001|5.504458|2.401268|0.102824|0.085677|0.076956|0.066973|0.061699|0.118804|0.215801|0.500000|
|3.582178|3.349105|2.852343|2.586456|2.642766|3.038969|3.487293|2.903457|4.574293|3.068653|2.714384|2.746083|4.376714|4.266713|3.520124|0.090760|4.911455|5.632800|8.871650|17.790504|8.922721|5.620789|9.800570|14.207557|8.839960|3.036248|4.356749|2.851383|2.737815|2.384383|2.185006|2.241845|2.535114|18.073060|1.910933|4.269314|2.285429|0.123615|0.091331|0.089396|0.074150|0.064171|0.106971|0.124013|0.213522|0.500000|
|3.956570|4.660034|4.457391|4.447714|4.638740|4.915169|4.915837|4.234204|5.953853|4.717425|3.702795|3.867827|5.729155|7.116147|6.950738|0.226284|8.908585|5.665002|4.958587|5.627020|8.943945|17.808673|9.799010|8.832163|14.132740|5.183888|8.851873|4.809899|4.485259|3.401839|2.912044|2.996397|3.678149|25.306273|2.384015|5.353741|3.903535|0.120235|0.092595|0.100217|0.108867|0.108355|0.125150|0.124451|0.107627|0.124254|0.500000|
|2.288549|2.501953|2.560121|2.664581|2.714949|2.655459|2.548148|2.525397|3.873711|2.859653|2.619257|3.014660|4.990358|5.172095|3.683835|0.113482|3.774242|3.123536|2.933137|3.195971|3.915654|4.413926|5.466496|5.985854|8.304925|4.811245|9.508971|8.908187|17.727167|8.890259|5.590875|4.920002|5.647698|28.799198|4.081697|4.011194|2.651136|0.067204|0.056895|0.061711|0.067828|0.072329|0.067221|0.077358|0.071052|0.080380|0.143753|0.500000|
|1.774397|1.891392|1.929549|1.997285|2.029630|1.990275|1.920756|1.940772|3.081117|2.165203|2.075856|2.386597|4.159337|3.791852|2.596710|0.076467|2.624955|2.338604|2.253731|2.400376|2.716247|2.872968|3.820741|4.526429|5.475395|3.428985|5.666927|5.666160|8.979756|17.687978|8.892374|5.654186|4.989620|24.409302|7.040938|3.295669|2.028459|0.051716|0.045160|0.048326|0.051974|0.055043|0.051520|0.060109|0.056973|0.062860|0.086642|0.214970|0.500000|
|1.586796|1.713061|1.704050|1.798766|1.928318|1.946961|1.826023|2.035816|3.281503|2.380109|2.475995|3.083398|5.933450|4.563806|2.757061|0.076137|2.630710|2.454114|2.268194|2.224437|2.356729|2.568073|3.012776|3.602858|4.016890|4.302243|5.779011|5.610048|4.918229|5.635483|8.911341|17.703917|8.883274|44.193526|6.977385|3.995305|1.997531|0.045959|0.041415|0.042124|0.044684|0.048732|0.050079|0.066826|0.058933|0.057248|0.072600|0.106947|0.124041|0.500000|
|1.447100|1.540938|1.568208|1.639867|1.690026|1.659338|1.583535|1.661715|2.696624|1.851199|1.842883|2.128950|3.869700|3.200082|2.123066|0.061143|2.078459|1.913038|1.829439|1.878493|2.035681|2.154943|2.773627|3.367175|3.833408|2.824031|4.206220|3.967620|4.594062|6.711199|8.823353|5.875064|4.304378|22.514903|17.531377|3.002214|1.734466|0.041693|0.037524|0.039308|0.042163|0.045450|0.042815|0.050864|0.047463|0.049562|0.063058|0.108076|0.191733|0.151634|0.500000|
|1.414685|1.503482|1.509639|1.575347|1.645592|1.641212|1.565465|1.674122|2.727882|1.888197|1.917935|2.254854|4.200287|3.329876|2.151056|0.060532|2.108335|1.978094|1.888869|1.905907|2.023143|2.135522|2.696148|3.290226|3.640550|2.953094|4.214582|3.953312|4.155882|5.558429|8.832718|7.258238|4.750966|25.310912|17.568886|3.141231|1.688779|0.040915|0.036926|0.038102|0.040277|0.043209|0.042783|0.053214|0.049473|0.050244|0.061097|0.095611|0.140821|0.222142|0.301873|0.500000|
|1.469526|1.546419|1.551738|1.599284|1.647686|1.644912|1.591290|1.650590|2.676837|1.844574|1.835027|2.123675|3.857465|3.202690|2.126904|0.060213|2.144242|2.007054|1.954389|2.019558|2.161044|2.235172|2.952661|3.628555|4.013553|2.825855|4.206092|3.968120|4.590755|6.700322|8.823395|5.884520|4.309543|22.539896|17.531183|2.985078|1.661555|0.042800|0.038137|0.039799|0.041699|0.043830|0.043483|0.053058|0.050957|0.053779|0.064215|0.108002|0.191182|0.151987|0.302259|0.301872|0.500000|
|3.025579|3.956143|4.274438|5.831936|8.852923|6.795024|4.633336|6.758034|11.275340|5.422225|4.513053|3.693909|5.554207|5.090971|4.482110|0.136907|3.520792|3.041928|2.558097|2.419406|2.647466|3.186852|3.227391|3.721143|4.345663|3.152601|4.118173|2.536155|2.292192|1.993362|1.888127|2.017095|2.334473|18.320035|1.652424|7.365441|17.571795|0.077606|0.080232|0.077108|0.098983|0.150280|0.109458|0.085536|0.064601|0.059696|0.092752|0.065422|0.051579|0.052668|0.045129|0.044416|0.043355|0.500000|
|3.003135|3.923597|4.300037|5.937715|8.801316|6.541947|4.524314|6.255727|8.941808|6.149452|4.900594|4.399320|6.425762|6.599826|5.917219|0.207949|4.245919|3.410274|2.804429|2.687434|3.053431|3.878611|3.700251|4.153284|5.095169|4.123134|5.490218|3.247693|2.880115|2.430004|2.268480|2.434859|2.898253|22.539215|1.938312|7.314582|17.553720|0.079421|0.076834|0.077010|0.100041|0.155478|0.106474|0.093206|0.069068|0.065232|0.118392|0.082496|0.062012|0.062373|0.052902|0.051616|0.050373|0.303295|0.500000|
|3.023658|3.958177|4.765514|7.292567|8.856092|5.557724|4.182354|4.723296|7.493777|4.178102|3.495023|3.144007|4.835708|4.594373|3.995738|0.131932|3.274431|2.751668|2.378932|2.336701|2.638300|3.171555|3.335093|3.814365|4.648009|3.032647|4.178720|2.616886|2.436238|2.109576|1.959493|2.049709|2.350904|17.600109|1.714583|5.593166|17.559504|0.077091|0.077721|0.079909|0.113761|0.225173|0.096185|0.074625|0.059529|0.058112|0.097206|0.070993|0.055171|0.052884|0.047374|0.045572|0.044933|0.300857|0.301503|0.500000|
1967.020112
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