Version2.4
2021-05-26T12:24:31Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
23-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1c2c(=O)n(c(=O)n(c2sc1C(=O)[O-])CC(=O)N3CCOCC3)Cc4ccccc4Cl C34778901
RHF
6-31G(d)
(6D,7F)
Cc1c2c(=O)n(c(=O)n(c2sc1C(=O)[O-])CC(=O)N3CCOCC3)Cc4ccccc4Cl
C01[X(C21H19Cl1N3O6S1)]
147
C1
526
O=C(N1CCOCC1)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1sc(c2C)C(=O)[O-]
O=C(N1CCOCC1)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1sc(c2C)C(=O)[O-]
Cc1c(sc2N(CC(=O)N3CCOCC3)C(=O)N(Cc4ccccc4Cl)C(=O)c12)C([O-])=O
InChIKey=YHPITUZQCZPNBX-UHFFFAOYSA-M
InChI=1S/C21H20ClN3O6S/c1-12-16-18(27)24(10-13-4-2-3-5-14(13)22)21(30)25(19(16)32-17(12)20(28)29)11-15(26)23-6-8-31-9-7-23/h2-5H,6-11H2,1H3,(H,28,29)/p-1
InChI=1/C21H20ClN3O6S/c1-12-16-18(27)24(10-13-4-2-3-5-14(13)22)21(30)25(19(16)32-17(12)20(28)29)11-15(26)23-6-8-31-9-7-23/h2-5H,6-11H2,1H3,(H,28,29)/p-1/fC21H19ClN3O6S/q-1
Cc1c2c(=O)n(c(=O)n(c2sc1C(=O)[O-])CC(=O)N3CCOCC3)Cc4ccccc4Cl
C01[X(C21H19Cl1N3O6S1)]
147
C01
526
O=C(N1CCOCC1)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1sc(c2C)C(=O)[O-]
O=C1N(C[C]2[CH][CH][CH][CH][C]2Cl)C(=O)[C]2[C](SC(=[C]2C)[C]([O])=O)N1CC(=O)N1CCOCC1
CC1=C(S[C]2[C]1C(=O)N(C[C]3[CH][CH][CH][CH][C]3Cl)C(=O)N2CC(=O)N4CCOCC4)C([O])=O
InChIKey=CGQGKXHQIAHJJA-UHFFFAOYSA-N
InChI=1S/C21H19ClN3O6S/c1-12-16-18(27)24(10-13-4-2-3-5-14(13)22)21(30)25(19(16)32-17(12)20(28)29)11-15(26)23-6-8-31-9-7-23/h2-5H,6-11H2,1H3
InChI=1/C21H19ClN3O6S/c1-12-16-18(27)24(10-13-4-2-3-5-14(13)22)21(30)25(19(16)32-17(12)20(28)29)11-15(26)23-6-8-31-9-7-23/h2-5H,6-11H2,1H3
3631.4617888161
-2275.916115
1-A
17859.3740
124
402
526
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10.50950
2.9842 -18.7442 0.3595
18.9837
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-211.1583 -327.5091 -202.7814 26.8264 -4.1759 17.4303
|XX|YY|ZZ|XY|XZ|YZ|
35.9913 -80.3595 44.3682 26.8264 -4.1759 17.4303
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
138.3086 -615.2445 -0.1315 108.9085 -28.4351 12.1040 -20.9732 -38.8952 81.9621 -44.5484
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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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
12.9321 18.3424 23.8015 32.5089 36.6493 48.2458 66.8969 72.9928 76.8035 94.2577 112.8626 121.0339 131.6180 148.0362 160.8244 171.0064 196.0294 202.5205 238.2855 251.7138 262.5306 276.8963 281.9032 290.2837 310.2133 314.8358 349.3296 354.3273 361.1861 414.1646 424.3612 435.1569 438.1841 447.5056 457.5724 474.9035 483.8290 486.7767 515.9991 534.0698 551.5481 578.7330 605.8668 610.0128 620.3744 626.3890 640.1911 662.3468 692.3498 711.4445 742.1718 744.3230 818.1945 825.1829 845.5168 850.4583 861.2502 874.4272 878.1020 885.7755 916.2274 940.5121 946.9335 972.1977 986.5445 994.3666 1009.3234 1037.6212 1060.2048 1077.6050 1092.5478 1113.0691 1116.3886 1121.8007 1134.9878 1145.8487 1157.5534 1163.5762 1180.1212 1181.2253 1203.3552 1207.2046 1243.6432 1249.6502 1273.5438 1291.7974 1292.4750 1311.3339 1340.2086 1341.7729 1350.6007 1361.5776 1375.4391 1412.1094 1428.1283 1435.3418 1459.1550 1462.5834 1490.9821 1502.4150 1505.8454 1516.4883 1523.0477 1540.5694 1543.7324 1555.5093 1560.6716 1583.1015 1607.9634 1610.1307 1618.6006 1629.8390 1635.1159 1640.0072 1647.0628 1648.3989 1651.6252 1652.5547 1657.7068 1664.6708 1707.1488 1772.1409 1780.9575 1802.7230 1898.2528 1919.1394 1948.1427 1957.7780 3183.0841 3189.4214 3195.9851 3205.3570 3209.3360 3254.5932 3281.3874 3283.1353 3286.0578 3290.7375 3323.9337 3341.1344 3349.7628 3359.3958 3360.5853 3373.1525 3378.2967 3397.2323 3413.5822
7.1826 8.1426 7.8596 6.9805 4.1715 7.6872 4.7150 7.8628 8.1410 7.8277 6.9040 10.4174 7.1477 9.4750 5.6559 6.8376 1.0310 9.2890 6.6662 2.3499 5.3590 4.2926 3.2885 5.4408 6.2769 5.6462 4.5207 5.3669 5.9751 3.4513 9.3161 2.2331 5.4601 3.6646 7.2140 6.8558 5.1539 4.7056 2.7276 4.1954 7.5428 5.1181 3.6886 4.7247 3.2201 4.7147 7.3993 5.3449 6.4007 3.1965 4.2814 4.9650 4.3347 6.0955 5.1767 1.4725 8.6143 8.9813 11.2077 6.1685 3.9617 1.6742 3.1744 3.3501 1.6526 3.2017 2.8589 3.3358 3.1073 1.5125 3.7006 1.3484 2.8572 2.1312 4.7024 4.2174 2.8542 2.6640 1.4755 1.9066 1.7117 3.2723 1.9236 2.0510 2.3992 3.6527 2.6274 2.1462 1.9881 1.8574 2.4314 1.2262 2.0235 1.6366 1.9062 2.6182 1.2697 2.6114 2.1720 1.2790 4.3143 1.8086 2.2518 1.3837 1.3423 1.4542 1.2846 1.4631 2.1127 2.2816 1.1231 1.2453 2.4868 1.1969 1.4688 1.1061 1.0482 1.1659 1.6733 1.1113 9.0152 5.6490 7.9436 5.6481 11.9908 12.3602 11.7747 11.7206 1.0750 1.0758 1.0672 1.0682 1.0415 1.1006 1.0984 1.0643 1.0993 1.0686 1.0903 1.1041 1.0924 1.0878 1.0992 1.0990 1.0940 1.0958 1.0945
0.0007 0.0016 0.0026 0.0043 0.0033 0.0105 0.0124 0.0247 0.0283 0.0410 0.0518 0.0899 0.0730 0.1223 0.0862 0.1178 0.0233 0.2245 0.2230 0.0877 0.2176 0.1939 0.1540 0.2701 0.3559 0.3297 0.3250 0.3970 0.4593 0.3488 0.9885 0.2491 0.6177 0.4324 0.8899 0.9110 0.7108 0.6569 0.4279 0.7051 1.3519 1.0100 0.7977 1.0359 0.7302 1.0899 1.7867 1.3815 1.8077 0.9533 1.3895 1.6207 1.7097 2.4455 2.1804 0.6275 3.7647 4.0461 5.0916 2.8515 1.9595 0.8726 1.6771 1.8656 0.9476 1.8652 1.7160 2.1161 2.0578 1.0348 2.6026 0.9842 2.0981 1.5802 3.5691 3.2625 2.2533 2.1251 1.2107 1.5673 1.4603 2.8098 1.7529 1.8871 2.2927 3.5913 2.5860 2.1745 2.1039 1.9703 2.6131 1.3393 2.2555 1.9227 2.2907 3.1780 1.5928 3.2913 2.8449 1.7010 5.7639 2.4506 3.0776 1.9348 1.8848 2.0731 1.8436 2.1605 3.2183 3.4850 1.7336 1.9490 3.9174 1.8967 2.3477 1.7709 1.6847 1.8759 2.7092 1.8144 15.4799 10.4524 14.8448 10.8147 25.4570 26.8218 26.3295 26.4684 6.4175 6.4476 6.4227 6.4662 6.3202 6.8689 6.9684 6.7592 6.9941 6.8176 7.0975 7.2617 7.2218 7.2328 7.3143 7.3674 7.3563 7.4513 7.5142
1.8715 1.7653 0.0723 1.9593 0.1591 1.0545 2.2596 2.3588 1.5062 1.3769 1.8549 8.9519 4.8290 1.1794 2.5905 6.7970 0.3289 3.2831 0.3810 2.9257 0.5710 0.9669 5.3546 15.9099 7.6185 4.0670 3.3845 9.1281 8.2474 0.6139 7.2701 5.8861 12.0240 2.8427 21.3989 23.0986 5.7055 5.9427 4.0919 23.2963 11.9624 19.9770 12.9156 15.7147 10.1569 3.0357 37.9439 2.2329 5.1769 15.9469 2.2568 11.6346 4.8566 30.7406 9.3257 60.7673 52.8974 94.5949 30.6988 35.5073 20.3723 0.2714 18.2681 12.2422 4.9285 3.2448 19.0876 20.1517 13.6341 0.5062 37.5188 1.9517 37.1846 2.5639 39.0221 5.2898 63.9733 5.8103 0.5356 9.2122 4.7948 6.3912 2.8606 44.7768 12.4472 102.9831 36.7135 0.9155 41.7005 80.7017 11.7043 120.1379 173.7875 30.3060 80.6258 97.2025 37.4423 166.5450 101.5783 9.6817 394.7903 178.0503 89.1771 19.2860 29.8929 19.5664 22.8144 24.8915 36.9232 195.8163 57.7758 78.0028 273.3990 30.7828 72.3416 2.5041 4.7990 28.7898 75.2705 0.8554 235.9836 2.8006 114.4058 2.4896 623.5214 665.2281 191.7129 646.6016 25.9980 49.9131 14.2161 104.5755 45.7757 37.6728 66.3603 28.0159 65.4877 19.5385 25.7029 1.9124 4.9139 5.5858 0.4653 4.0208 34.5967 18.3966 5.8533
0.1323 3.0186 1.8471 3.5542 0.9610 2.0925 0.8545 1.1803 0.7063 0.4141 0.2255 0.6903 2.0535 0.1489 1.3411 2.4352 0.5946 0.7581 0.9107 0.1514 1.3184 1.4962 0.3848 1.4907 4.1836 1.3114 1.0659 2.7150 0.2902 2.0070 0.4289 0.4613 3.6561 1.1245 0.7776 5.7555 0.6892 0.9257 2.5647 0.4144 8.0763 2.2897 5.2866 2.4116 1.2812 6.6612 1.9687 4.6239 1.2998 2.1634 2.0994 9.0573 1.1255 1.4372 5.6091 0.7823 9.1865 1.8817 2.8489 7.7263 3.0395 1.9657 3.9343 10.0360 4.4869 3.2018 2.4122 1.4296 3.0894 0.1527 5.6676 1.0860 2.8984 11.3426 7.6253 14.1407 6.5283 4.3494 3.1550 1.9308 0.4541 8.6884 1.7554 2.1529 6.0020 2.6494 4.5399 8.5910 3.2591 8.5761 6.0152 9.7964 2.6861 2.4412 2.0357 2.6993 14.4960 11.5418 22.9048 3.9267 16.9920 10.6924 23.7281 4.0550 0.2851 0.6806 7.1953 5.5721 0.7621 13.3587 17.2787 10.9995 20.5201 26.8781 11.1604 7.0631 15.4945 6.0288 7.5048 6.6297 168.4359 10.2127 6.3869 28.7474 9.3908 4.7852 26.7563 30.7897 15.9309 209.8014 14.4545 53.3706 111.3993 69.4294 126.9715 45.1424 151.5836 60.6944 69.4425 25.6203 38.1532 70.1912 45.6714 24.9076 153.9173 128.0822 101.5179
0.7341 0.7499 0.7420 0.7221 0.7268 0.7376 0.7465 0.6077 0.7471 0.6296 0.6884 0.7272 0.7238 0.7497 0.5240 0.7464 0.7492 0.7087 0.7500 0.0962 0.5941 0.6200 0.5097 0.3918 0.4770 0.2259 0.7207 0.4039 0.7437 0.5885 0.7176 0.0907 0.4694 0.7448 0.4271 0.2887 0.7067 0.6170 0.7272 0.6257 0.2741 0.5532 0.2706 0.6140 0.4234 0.3232 0.2010 0.3217 0.7140 0.1718 0.3742 0.1152 0.1422 0.6844 0.2051 0.7465 0.0940 0.2561 0.7377 0.0530 0.1135 0.6237 0.2454 0.2255 0.2074 0.6901 0.2772 0.2847 0.2255 0.7463 0.1761 0.1758 0.4099 0.6775 0.0843 0.1888 0.5953 0.1852 0.7459 0.5859 0.7038 0.7445 0.4146 0.1818 0.4642 0.3705 0.1333 0.2033 0.3430 0.7286 0.5088 0.7412 0.5094 0.5466 0.2481 0.7444 0.7131 0.3277 0.3594 0.6879 0.6943 0.6050 0.1949 0.5221 0.4980 0.1473 0.7327 0.4935 0.3766 0.6442 0.5542 0.4410 0.6265 0.6751 0.7488 0.7485 0.7499 0.7499 0.7500 0.7134 0.2613 0.6471 0.6048 0.6339 0.3029 0.6775 0.3080 0.2519 0.4269 0.2133 0.6362 0.0730 0.0632 0.7432 0.6191 0.0389 0.2589 0.1046 0.2344 0.5837 0.3544 0.7366 0.5882 0.4496 0.3753 0.1660 0.1592
0.8467 0.8571 0.8519 0.8386 0.8418 0.8490 0.8549 0.7560 0.8553 0.7727 0.8154 0.8421 0.8398 0.8570 0.6877 0.8548 0.8566 0.8295 0.8571 0.1754 0.7454 0.7654 0.6752 0.5630 0.6459 0.3685 0.8377 0.5754 0.8530 0.7410 0.8356 0.1663 0.6389 0.8537 0.5986 0.4480 0.8282 0.7631 0.8420 0.7697 0.4303 0.7123 0.4259 0.7608 0.5949 0.4885 0.3347 0.4868 0.8331 0.2933 0.5446 0.2066 0.2490 0.8126 0.3404 0.8549 0.1719 0.4077 0.8491 0.1007 0.2039 0.7683 0.3941 0.3680 0.3435 0.8166 0.4341 0.4432 0.3680 0.8547 0.2995 0.2990 0.5814 0.8077 0.1556 0.3177 0.7463 0.3126 0.8545 0.7389 0.8262 0.8535 0.5861 0.3077 0.6341 0.5407 0.2352 0.3379 0.5108 0.8430 0.6744 0.8514 0.6750 0.7068 0.3976 0.8535 0.8325 0.4937 0.5288 0.8151 0.8195 0.7539 0.3262 0.6860 0.6649 0.2568 0.8457 0.6608 0.5471 0.7836 0.7131 0.6121 0.7704 0.8060 0.8563 0.8562 0.8571 0.8570 0.8571 0.8328 0.4144 0.7858 0.7538 0.7759 0.4649 0.8078 0.4710 0.4024 0.5984 0.3516 0.7776 0.1360 0.1190 0.8527 0.7647 0.0748 0.4113 0.1894 0.3797 0.7371 0.5234 0.8484 0.7407 0.6203 0.5458 0.2847 0.2747
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
6 6 6 6 8 7 6 8 7 6 16 6 6 8 8 6 6 8 7 6 6 8 6 6 6 6 6 6 6 6 6 17 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 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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
11663.2110 22543.9001 30986.2590
0.99964 0.02670 0.00291 -0.02671 0.99963 0.00454 -0.00279 -0.00462 0.99999
1
0.00743 0.00384 0.00280
0.15474 0.08005 0.05824
18.61 26.39 34.25 46.77 52.73 69.41 96.25 105.02 110.50 135.62 162.38 174.14 189.37 212.99 231.39 246.04 282.04 291.38 342.84 362.16 377.72 398.39 405.60 417.65 446.33 452.98 502.61 509.80 519.67 595.89 610.56 626.09 630.45 643.86 658.34 683.28 696.12 700.36 742.41 768.41 793.55 832.67 871.71 877.67 892.58 901.23 921.09 952.97 996.14 1023.61 1067.82 1070.91 1177.20 1187.25 1216.51 1223.62 1239.15 1258.11 1263.39 1274.43 1318.25 1353.19 1362.43 1398.78 1419.42 1430.67 1452.19 1492.91 1525.40 1550.43 1571.93 1601.46 1606.23 1614.02 1632.99 1648.62 1665.46 1674.13 1697.93 1699.52 1731.36 1736.90 1789.33 1797.97 1832.35 1858.61 1859.58 1886.72 1928.26 1930.51 1943.21 1959.01 1978.95 2031.71 2054.76 2065.14 2099.40 2104.33 2145.19 2161.64 2166.58 2181.89 2191.33 2216.54 2221.09 2238.03 2245.46 2277.73 2313.50 2316.62 2328.81 2344.97 2352.57 2359.60 2369.76 2371.68 2376.32 2377.66 2385.07 2395.09 2456.21 2549.72 2562.40 2593.72 2731.16 2761.21 2802.94 2816.81 4579.75 4588.87 4598.31 4611.79 4617.52 4682.63 4721.18 4723.70 4727.90 4734.64 4782.40 4807.15 4819.56 4833.42 4835.13 4853.21 4860.62 4887.86 4911.38
0.415978
0.442764
0.443708
0.354565
-2275.500137
-2275.473351
-2275.472407
-2275.561550
2.989871D-04
MUNgauss
RevisionA2.1
retrievium
26-May-2021
DUDE Cc1c2c(=O)n(c(=O)n(c2sc1C(=O)[O-])CC(=O)N3CCOCC3)Cc4ccccc4Cl C34778901
RHF
6-31G(d)
(6D,10F)
C1
476.068310
|X|Y|Z|
73.826855 106.636682 32.208182
63.293979
24
|36.858105|
|12.653629|36.858105|
|7.305302|13.072856|36.858105|
|5.977299|7.281221|13.154196|36.858105|
|6.241886|6.204708|8.054464|15.869651|73.516695|
|4.166124|4.998365|7.909914|13.532026|15.069941|53.358707|
|3.556543|4.460525|6.739717|7.705577|9.608057|18.774264|36.858105|
|2.910681|3.483991|4.731509|5.347527|7.531922|11.423067|15.846411|73.516695|
|3.813438|5.203563|7.920470|6.788382|8.464838|11.093386|13.890105|15.113986|53.358707|
|5.058658|8.128254|14.058847|7.897557|9.567936|9.611538|7.952773|9.701809|18.775103|36.858105|
|4.697822|7.365571|7.436514|4.839899|6.876042|5.876654|4.748868|6.790185|9.432529|11.083056|388.023441|
|7.532190|14.155735|8.206095|5.119820|7.769633|5.518452|3.960622|5.689030|6.736161|7.673955|76.923682|36.858105|
|5.795662|7.158660|4.951192|3.655200|5.914002|4.157861|3.014587|4.552514|4.915545|4.823858|48.987937|12.368810|36.858105|
|4.265169|5.259941|4.174705|3.176473|5.079834|3.786986|2.846671|4.384868|4.722824|4.425282|49.169915|8.249193|15.459626|73.516695|
|6.217590|6.276898|4.298505|3.374935|5.719201|3.796733|2.675702|4.088074|4.176151|3.937726|34.799622|8.071634|15.549604|15.149079|73.516695|
|3.064179|3.980743|5.132868|4.497856|6.243880|7.108440|7.943528|12.743291|17.994621|7.753911|43.491195|4.106790|3.246436|5.853410|4.875902|36.858105|
|2.819662|3.546810|4.343010|3.907645|5.662475|5.973010|6.029985|10.457381|10.551005|5.862147|36.356083|3.674151|3.014083|5.475882|4.584632|12.449189|36.858105|
|2.995241|3.727833|4.602911|4.247284|6.194335|6.379322|6.080402|10.198802|9.625285|5.805789|34.274616|3.732889|3.030489|5.361605|4.678109|8.012017|15.917748|73.516695|
|2.392595|2.912554|3.363536|3.058337|4.612571|4.575874|4.309328|7.861194|7.011830|4.277875|29.583656|3.089461|2.676472|5.002368|4.106616|7.727809|13.968289|15.082085|53.358707|
|2.163434|2.552896|2.866271|2.665917|4.144001|3.919985|3.491100|6.429875|5.310957|3.429160|23.976391|2.682073|2.389688|4.447784|3.741738|4.996667|7.855576|12.456034|17.817068|36.858105|
|1.968447|2.292975|2.482796|2.280225|3.601372|3.268791|2.815959|5.095719|4.316561|2.921311|21.688733|2.463514|2.278403|4.340960|3.576366|3.939413|5.263624|8.396403|10.675988|12.542560|36.858105|
|1.830385|2.124212|2.299600|2.121274|3.354202|3.068252|2.653797|4.869202|4.053319|2.711046|20.199260|2.286022|2.129247|4.085705|3.347913|3.767656|4.595484|6.968296|9.287037|7.904961|13.574087|73.516695|
|1.960662|2.314191|2.524106|2.293088|3.575308|3.331567|2.937547|5.349521|4.632465|3.060157|23.170148|2.521032|2.327098|4.512215|3.605857|4.538718|5.190056|7.303477|10.676512|6.746775|8.196061|24.226276|36.858105|
|2.153277|2.584665|2.935002|2.688877|4.104270|4.037575|3.747097|6.999087|5.976849|3.674684|26.149649|2.761446|2.449393|4.642799|3.777919|6.547054|7.615549|9.443786|17.844038|7.816043|6.742585|14.054319|12.511654|36.858105|
|3.442039|3.771284|5.083091|7.787658|12.748759|17.684669|7.817914|12.410884|7.054127|4.575211|23.047332|3.139680|2.509315|4.095467|4.189702|3.940313|3.514051|6.688679|3.873120|2.529350|2.130326|3.581627|2.149910|2.565284|36.858105|
|3.285812|3.432703|4.308247|6.115331|11.301758|10.300906|5.345853|8.745618|5.546500|3.803960|20.375642|2.866798|2.349486|3.820001|3.993582|3.237642|2.842447|5.241079|3.256182|2.138140|1.852436|3.162902|1.905843|2.226790|12.524323|36.858105|
|3.316160|3.251690|3.829069|5.270408|11.264029|7.452671|4.036573|6.585066|4.513277|3.264822|18.288669|2.686746|2.249371|3.616171|3.915614|2.702319|2.444737|4.564259|2.849385|1.908279|1.677119|2.851591|1.700887|1.946041|7.574160|13.675917|36.858105|
|2.936485|2.820115|3.166391|3.999525|8.244213|5.510280|3.229842|5.378636|3.776307|2.759149|16.139573|2.387791|2.054852|3.320609|3.619027|2.334132|2.111332|3.882352|2.513639|1.691487|1.509638|2.590202|1.545341|1.745368|5.008507|7.851566|13.788024|36.858105|
|2.642838|2.601631|2.917387|3.530305|6.800103|5.029829|3.093080|5.250715|3.653792|2.627873|15.577315|2.258577|1.960340|3.207384|3.426771|2.297919|2.045632|3.688194|2.460058|1.643400|1.474686|2.559485|1.537846|1.737512|4.402167|6.784231|7.958466|13.758446|36.858105|
|2.625023|2.688002|3.107907|3.746562|6.799249|5.671263|3.568210|6.152186|4.131628|2.879916|16.780026|2.359271|2.023342|3.343271|3.475577|2.595201|2.256722|4.008493|2.701934|1.779573|1.586553|2.772457|1.681438|1.924962|4.956392|7.846243|6.916418|7.969381|13.793030|36.858105|
|2.887129|3.053842|3.726792|4.732128|8.235178|7.868619|4.760352|8.179765|5.155193|3.468144|19.223712|2.645586|2.207651|3.643949|3.735439|3.129571|2.677710|4.773418|3.131358|2.037142|1.784037|3.098924|1.886314|2.203132|7.415700|13.705550|8.035296|6.920393|7.959922|13.745658|36.858105|
|2.612360|2.892581|3.577126|4.197415|6.717084|7.452473|5.377201|10.095688|5.798890|3.618772|20.137890|2.612326|2.183528|3.691112|3.615199|3.671940|3.015418|5.168934|3.545701|2.251717|1.958641|3.458595|2.140043|2.559066|6.058004|6.963352|4.758238|4.234260|4.791819|7.111114|10.901025|448.794386|
|17.547900|8.891904|6.569663|6.039774|11.970310|5.766269|3.506345|5.134237|4.948434|4.610841|29.266951|5.881406|4.718334|6.523807|8.940639|2.908486|2.622831|4.885520|3.046434|2.016726|1.834392|3.068237|1.854970|2.046176|3.597447|3.609860|3.729025|3.352545|3.000572|2.936740|3.181334|22.386354|0.500000|
|17.680783|8.990842|5.484098|4.502078|8.208950|4.632425|3.029658|4.524162|4.488696|4.271862|31.099382|7.243825|6.718334|8.326076|14.988585|2.765416|2.575859|4.811971|3.043724|2.040161|1.889913|3.132053|1.882783|2.031293|2.884648|2.783638|2.818151|2.566705|2.348488|2.326607|2.509829|18.543401|0.298622|0.500000|
|17.555532|8.895320|6.535561|5.995486|12.093757|5.677009|3.494205|5.137860|4.931639|4.601634|29.300848|5.898411|4.736511|6.542249|8.982573|2.928252|2.779192|5.393713|3.203587|2.164763|1.955518|3.200208|1.902723|2.091149|3.543614|3.311505|3.417199|2.972069|2.608131|2.557142|2.827112|20.264504|0.303798|0.298700|0.500000|
|3.046685|4.000197|4.836327|4.015169|5.700681|5.925702|5.849824|9.289650|12.607078|7.350274|51.122709|4.388260|3.537822|6.604708|5.183946|17.636404|8.819586|10.909164|9.526705|4.608907|3.922430|6.855867|4.893135|6.641266|3.365203|2.896340|2.471138|2.178188|2.162093|2.425445|2.847894|26.527935|0.079996|0.077939|0.079139|0.500000|
|2.716149|3.384940|4.285869|4.027123|5.747093|6.702671|7.566485|14.499693|12.626012|5.789482|33.220353|3.418617|2.790981|5.024530|4.291054|17.662674|8.873132|11.124957|9.309050|4.618557|3.676474|6.525848|4.444258|6.692126|3.941059|3.283665|2.691429|2.342064|2.344753|2.700371|3.276067|32.776370|0.073231|0.068354|0.072409|0.302385|0.500000|
|1.998786|2.320121|2.621883|2.510738|3.943719|3.764558|3.341424|6.406341|4.842669|3.067977|20.803573|2.391501|2.133956|3.928711|3.387933|4.441931|6.397943|10.510050|12.391276|17.497093|8.883673|12.468033|5.813270|6.899983|2.496428|2.111573|1.880141|1.669372|1.626664|1.765815|2.020900|18.062453|0.052336|0.052198|0.055825|0.111138|0.121323|0.500000|
|2.297792|2.706794|3.030589|2.818570|4.397541|4.080287|3.560965|6.402472|5.375912|3.566467|24.689502|2.821431|2.499252|4.595517|3.926823|4.742736|7.625399|14.702076|12.532379|17.681377|8.849027|10.144174|5.052591|5.691454|2.622984|2.190418|1.971076|1.734211|1.665536|1.787585|2.050592|17.811943|0.058848|0.060023|0.064691|0.119591|0.117429|0.301107|0.500000|
|1.818800|2.080862|2.233432|2.081538|3.335781|2.972691|2.509781|4.567925|3.745159|2.560775|18.809044|2.211871|2.068022|3.908024|3.294422|3.281193|4.241006|7.166939|7.697057|8.853728|17.602879|16.895259|5.889270|5.022192|1.972629|1.724054|1.574964|1.423044|1.386818|1.482510|1.656493|14.458889|0.047178|0.048675|0.050590|0.089666|0.086402|0.217448|0.208098|0.500000|
|2.075358|2.433338|2.585152|2.322163|3.665188|3.257963|2.772719|4.880216|4.354727|3.051620|23.688067|2.671394|2.505377|4.855006|3.893914|3.907586|5.097531|8.251406|9.475754|8.868702|17.509592|16.538029|7.321714|5.883685|2.096840|1.832091|1.669048|1.504352|1.465490|1.569172|1.758471|15.337793|0.053197|0.055808|0.057023|0.111840|0.097844|0.173948|0.216592|0.300184|0.500000|
|1.809039|2.109362|2.286973|2.099525|3.301820|3.056641|2.663295|4.895042|4.115523|2.727382|20.538360|2.285687|2.132482|4.130107|3.335617|3.909946|4.177668|6.052677|7.701364|5.022935|5.882766|16.907767|17.598460|8.852342|2.000527|1.800629|1.609901|1.476106|1.481046|1.622958|1.804565|16.554195|0.047986|0.048423|0.048610|0.117514|0.110630|0.130284|0.110445|0.132203|0.148280|0.500000|
|2.067079|2.461270|2.635524|2.337818|3.638954|3.324663|2.895197|5.113894|4.696951|3.219853|25.759216|2.749757|2.574344|5.110084|3.935287|4.520964|5.034790|7.185176|9.489598|5.889645|7.318591|16.547854|17.504833|8.871810|2.117438|1.886598|1.694137|1.541636|1.530383|1.665030|1.860819|16.742365|0.053900|0.055591|0.055307|0.143350|0.117054|0.134003|0.132870|0.148314|0.220083|0.300065|0.500000|
|2.266560|2.756209|3.149952|2.845394|4.293086|4.280428|4.023965|7.379039|6.664292|4.044252|29.008114|2.968342|2.608792|4.964759|3.985001|7.711096|7.138904|8.774208|12.361301|5.656473|5.045789|10.188525|8.928786|17.652716|2.674730|2.347466|2.033618|1.828888|1.835937|2.053414|2.354208|22.343520|0.060209|0.059284|0.060290|0.242355|0.226903|0.140888|0.127564|0.110373|0.132603|0.211350|0.218410|0.500000|
|1.989472|2.345089|2.677491|2.530278|3.904884|3.875200|3.581920|7.017073|5.375711|3.254153|22.296118|2.451381|2.179352|4.072278|3.416322|5.537191|6.247598|8.377212|12.381679|6.892258|5.808945|12.474299|8.880406|17.494073|2.532556|2.203507|1.918611|1.725100|1.725616|1.920495|2.197195|20.770363|0.053042|0.051975|0.054028|0.146283|0.172724|0.200101|0.141440|0.130255|0.133890|0.217688|0.174055|0.301695|0.500000|
|3.464168|3.664358|4.743246|7.210310|13.474907|12.509542|6.122796|9.876797|6.072743|4.138084|21.565277|3.023137|2.444461|3.962761|4.134999|3.501694|3.290975|6.493117|3.662612|2.456656|2.073231|3.442479|2.034356|2.390846|17.647333|8.970276|7.431362|4.840726|4.012516|4.199948|5.598376|36.567415|0.099210|0.080530|0.103111|0.084008|0.095196|0.067405|0.072016|0.053864|0.056821|0.052386|0.055779|0.068090|0.065466|0.500000|
|2.939588|3.257744|4.275135|5.750336|9.177013|12.641494|7.863750|15.366720|6.843506|4.151143|21.519525|2.826520|2.300922|3.828605|3.816227|4.058070|3.655129|6.860436|4.063479|2.653705|2.207989|3.735992|2.238027|2.710474|17.715920|8.878265|5.797256|4.262812|3.963783|4.622893|6.826113|53.062596|0.084070|0.070204|0.083496|0.094236|0.117788|0.074125|0.075564|0.056841|0.059492|0.058023|0.060315|0.078000|0.075823|0.302415|0.500000|
|3.529670|3.371242|3.917712|5.488298|12.916947|7.273353|3.898541|6.284107|4.415975|3.259881|18.326902|2.743784|2.296946|3.662071|4.031195|2.641238|2.447148|4.664878|2.843125|1.925772|1.689877|2.843819|1.682354|1.914852|7.125699|8.975287|17.763268|8.950582|5.662281|4.978559|5.701320|31.493123|0.108757|0.082540|0.105004|0.066967|0.071860|0.052551|0.055912|0.044257|0.046863|0.043974|0.046671|0.055067|0.052218|0.230968|0.149383|0.500000|
|2.825727|2.637034|2.869048|3.524985|7.416248|4.690214|2.804927|4.675877|3.357044|2.491545|14.915256|2.242447|1.961630|3.161219|3.501689|2.102148|1.930539|3.568380|2.318193|1.575982|1.416936|2.425527|1.438451|1.607755|4.100508|5.614631|8.939633|17.718560|8.903334|5.655920|4.976757|27.435446|0.089630|0.069478|0.080401|0.054917|0.058157|0.043166|0.045052|0.037289|0.039334|0.038189|0.039968|0.046544|0.044071|0.115363|0.098632|0.216143|0.500000|
|2.397290|2.336021|2.554148|2.985356|5.720740|4.179557|2.648347|4.528216|3.206087|2.323799|14.140619|2.058961|1.820154|2.991201|3.204881|2.055389|1.842836|3.308758|2.244409|1.508141|1.366343|2.381025|1.427752|1.596923|3.525949|4.905486|5.648273|8.890597|17.713495|8.941792|5.657084|31.800432|0.075410|0.060219|0.065490|0.054322|0.058257|0.041494|0.042354|0.035814|0.037760|0.038390|0.039517|0.046816|0.044095|0.091234|0.090281|0.124255|0.213711|0.500000|
|2.374814|2.451496|2.793219|3.228302|5.725641|4.874807|3.227765|5.669320|3.833869|2.656342|15.850096|2.200737|1.913210|3.196150|3.277927|2.473363|2.141498|3.750685|2.600486|1.710180|1.536659|2.711659|1.651112|1.882191|4.055897|5.620153|4.976958|5.652351|8.901207|17.745841|8.946387|55.053117|0.073128|0.059394|0.063686|0.064957|0.072385|0.047256|0.047308|0.039884|0.042142|0.044643|0.045331|0.056054|0.052399|0.096551|0.109489|0.108000|0.124042|0.214634|0.500000|
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