Version2.4 2021-05-20T07:05:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 08-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(no1)c2ccc(s2)Br)C(=O)NCCC[NH+]3CCc4ccccc4C3 C64820227 RHF 6-31G(d) (6D,7F) Cc1c(c(no1)c2ccc(s2)Br)C(=O)NCCC[NH+]3CCc4ccccc4C3 C01[X(C21H23Br1N3O2S1)] 147 C1 485 Brc1ccc(s1)c1noc(c1C(=O)NCCC[NH+]1CCc2c(C1)cccc2)C Brc1ccc(s1)c1noc(c1C(=O)NCCC[NH+]1CCc2c(C1)cccc2)C Cc1onc(c2sc(Br)cc2)c1C(=O)NCCC[NH+]3CCc4ccccc4C3 InChIKey=BFCONDYKOCAKMC-UHFFFAOYSA-O InChI=1S/C21H22BrN3O2S/c1-14-19(20(24-27-14)17-7-8-18(22)28-17)21(26)23-10-4-11-25-12-9-15-5-2-3-6-16(15)13-25/h2-3,5-8H,4,9-13H2,1H3,(H,23,26)/p+1 InChI=1/C21H22BrN3O2S/c1-14-19(20(24-27-14)17-7-8-18(22)28-17)21(26)23-10-4-11-25-12-9-15-5-2-3-6-16(15)13-25/h2-3,5-8H,4,9-13H2,1H3,(H,23,26)/p+1/fC21H23BrN3O2S/h23,25H/q+1 Cc1c(c(no1)c2ccc(s2)Br)C(=O)NCCC[NH+]3CCc4ccccc4C3 C01[X(C21H23Br1N3O2S1)] 147 C01 485 Brc1ccc(s1)c1noc(c1C(=O)NCCC[NH+]1CCc2c(C1)cccc2)C BrC1=[CH][CH]=C(S1)[C]1=NO[C]([C]1C(=O)NCCC[NH]1CC[C]2[C]([CH][CH][CH][CH]2)C1)C C[C]1ON=C([C]1C(=O)NCCC[NH]2CC[C]3[CH][CH][CH][CH][C]3C2)c4sc(Br)cc4 InChIKey=AQUQMNDYNKTPAM-UHFFFAOYSA-N InChI=1S/C21H23BrN3O2S/c1-14-19(20(24-27-14)17-7-8-18(22)28-17)21(26)23-10-4-11-25-12-9-15-5-2-3-6-16(15)13-25/h2-3,5-8,25H,4,9-13H2,1H3,(H,23,26) InChI=1/C21H23BrN3O2S/c1-14-19(20(24-27-14)17-7-8-18(22)28-17)21(26)23-10-4-11-25-12-9-15-5-2-3-6-16(15)13-25/h2-3,5-8,25H,4,9-13H2,1H3,(H,23,26)/f/h23H 3069.2440880221 -4088.8590096 1-A 21503.4520 118 367 485 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.15681 -92.07070 -64.56844 -58.70788 -58.70588 -58.70580 -20.74127 -20.62301 -15.84832 -15.70748 -15.68853 -11.45674 -11.44147 -11.43832 -11.43707 -11.41486 -11.40314 -11.38755 -11.38235 -11.37984 -11.37602 -11.37227 -11.36835 -11.36750 -11.35539 -11.34887 -11.34661 -11.34537 -11.33858 -11.33218 -11.32812 -11.31228 -9.81687 -9.08052 -7.56656 -7.55694 -7.55682 -6.76302 -6.76202 -6.76018 -3.30570 -3.30101 -3.30094 -3.28976 -3.28976 -1.61088 -1.49389 -1.49242 -1.34278 -1.29862 -1.29275 -1.26489 -1.22639 -1.21057 -1.19171 -1.17092 -1.14551 -1.13464 -1.09294 -1.08619 -1.06733 -1.05725 -1.04672 -1.03175 -0.99813 -0.95175 -0.94926 -0.93167 -0.91620 -0.89041 -0.86120 -0.84571 -0.83655 -0.83451 -0.82338 -0.81539 -0.80383 -0.78094 -0.77584 -0.76708 -0.76166 -0.75559 -0.75463 -0.74451 -0.73200 -0.72603 -0.71298 -0.70496 -0.69705 -0.69054 -0.68316 -0.67960 -0.67066 -0.66466 -0.66164 -0.65695 -0.65314 -0.64451 -0.64190 -0.63777 -0.62461 -0.62320 -0.61104 -0.61043 -0.60899 -0.60429 -0.57415 -0.56294 -0.52898 -0.52502 -0.50737 -0.49666 -0.49509 -0.45373 -0.44928 -0.44548 -0.44101 -0.40807 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.01198 0.01653 0.02095 0.04552 0.05248 0.07176 0.08212 0.08493 0.10199 0.10239 0.11298 0.12527 0.13392 0.13522 0.13677 0.14747 0.15577 0.16498 0.16539 0.16979 0.17657 0.18865 0.19306 0.19504 0.20316 0.20806 0.21309 0.22029 0.22171 0.22957 0.23101 0.23644 0.24151 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2.51093 2.52511 2.53336 2.53648 2.55602 2.56689 2.57838 2.61196 2.61327 2.62439 2.63696 2.65094 2.66275 2.67337 2.68968 2.71548 2.72669 2.73907 2.74742 2.76588 2.78584 2.79446 2.81053 2.82071 2.83479 2.85117 2.88390 2.88946 2.90625 2.90858 2.92520 2.93523 2.96124 2.97665 2.97789 2.98994 3.00308 3.02274 3.04458 3.05936 3.07414 3.08405 3.09871 3.12633 3.18508 3.21736 3.23453 3.27782 3.32894 3.38240 3.38675 3.43231 3.57795 3.61928 3.71018 4.19743 4.26246 4.29617 4.35334 4.37733 4.41089 4.42968 4.43294 4.43661 4.47779 4.49474 4.51683 4.52275 4.53448 4.59132 4.62106 4.63977 4.65913 4.71678 4.73320 4.75518 4.78477 4.82777 4.84009 4.90898 5.05381 5.10313 9.19100 74.49494 11.43005 -16.3161 -1.0319 -4.9078 17.0695 |XX|YY|ZZ|XY|XZ|YZ| -81.7745 -166.1794 -164.9605 -2.0397 -11.5409 -4.5793 |XX|YY|ZZ|XY|XZ|YZ| 55.8637 -28.5413 -27.3224 -2.0397 -11.5409 -4.5793 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -533.3593 48.0499 -7.3754 43.3881 124.2708 -40.5460 -27.2060 25.8597 7.4719 11.2586 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387.7012 397.6436 419.9362 438.4734 450.2288 460.9998 480.3981 484.5394 509.4180 531.4683 542.1198 560.3353 582.6395 597.6293 639.2457 654.0232 691.6199 697.0730 715.5900 778.0890 781.0053 793.9903 800.4022 802.1978 811.0776 850.2150 863.7299 888.4438 898.3854 907.3173 948.6048 977.7190 988.7702 998.2652 1019.7287 1040.3340 1059.2691 1065.7026 1067.8482 1080.1639 1092.7778 1101.0940 1109.2348 1121.8311 1127.7099 1140.4440 1142.3780 1145.8771 1147.4615 1157.3288 1181.0146 1203.6723 1209.8043 1216.1487 1239.1035 1270.7794 1294.1883 1300.3585 1305.6717 1312.0617 1342.5526 1359.1354 1365.4294 1388.3394 1414.9549 1415.1402 1421.8644 1437.6174 1453.8339 1461.4665 1469.0068 1482.6370 1505.7501 1523.6090 1536.0660 1540.1423 1561.8453 1570.9830 1578.9257 1586.0737 1598.2870 1613.7775 1627.0244 1627.0912 1632.1893 1636.7776 1638.0977 1647.3425 1648.6839 1656.2056 1663.9039 1671.4986 1701.6461 1726.5759 1776.6022 1786.4954 1804.7276 1811.2605 1909.3091 3206.5220 3219.4550 3230.0010 3242.4426 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1.7411 1.7664 11.9638 1.7766 1.7920 3.8819 4.3234 6.9563 12.1748 11.8300 17.8011 10.3975 19.1653 6.4895 6.5433 6.3971 6.5671 6.6181 6.6971 6.8477 6.8186 7.0087 7.0317 7.1098 7.1548 7.2336 7.3405 7.2530 7.2926 7.3631 7.4016 7.5001 7.5067 7.6146 8.6117 9.6524 0.3051 1.0185 1.6266 0.2611 2.6492 2.8885 0.6947 1.1960 2.7447 3.5204 3.4155 2.7243 4.0546 2.0033 0.6267 0.7407 5.4784 2.8377 4.0645 6.1251 7.8246 5.7244 1.6978 9.1456 11.4633 18.3071 4.3481 4.7519 1.9044 11.5551 11.9010 53.5574 35.2113 0.6063 2.3990 0.5089 0.7297 0.6711 6.9711 0.0982 21.6140 0.6041 8.1070 0.4977 0.6227 10.0330 0.8905 2.4626 3.0213 1.6459 48.4368 14.5134 23.0732 8.4192 5.0330 41.4966 23.4532 11.0404 19.2707 8.3392 1.6570 2.0750 22.7836 47.4272 7.4036 5.4294 5.5793 19.2851 13.0772 18.7677 3.4489 0.6839 14.9571 12.8471 30.1269 5.3061 3.7619 3.9749 1.5862 3.0750 13.3701 162.0841 2.4716 0.0880 0.4144 5.8186 2.2938 0.4935 1.7856 11.7768 34.9193 7.1568 57.5077 1.5670 32.1286 11.3003 18.4669 1.5915 1.5344 13.1229 51.4071 29.3261 63.0543 40.1153 53.4214 90.7511 7.0112 7.8881 3.8171 5.1654 0.8246 3.5676 0.7283 114.2231 7.6703 18.8884 18.6509 91.9602 195.3910 116.6055 0.4640 180.8801 1.8536 370.5854 14.4194 10.5997 8.0012 29.1022 2.9776 9.1362 6.4640 10.4897 5.4665 5.6977 4.5465 1.2718 15.6582 4.5197 7.6363 2.5661 0.4579 7.3028 9.3976 1.4229 0.0744 35.9245 93.0290 1.5178 2.1016 2.1569 6.6691 3.5494 0.6792 2.2453 1.1873 0.1333 1.3586 0.9053 0.9163 2.1389 0.4491 1.2979 0.7799 0.9264 1.2316 5.9183 1.5825 1.7933 1.6388 2.3459 1.0144 2.4914 0.9270 0.3650 1.0767 1.4056 0.7720 0.9330 0.4685 0.2013 1.6301 2.7511 4.1372 0.6972 1.6798 2.9851 4.4626 3.6842 2.7808 15.2654 3.8060 0.7150 3.9636 4.2100 9.9580 10.8009 1.3512 0.6624 2.6043 0.9809 4.6756 0.5067 0.8220 1.4062 2.4043 2.4939 3.8985 8.8350 1.6563 1.1360 1.0847 0.8659 0.3880 0.3197 6.0302 4.5809 11.7842 9.8140 0.0536 12.6217 2.4063 19.6310 1.2745 17.8396 7.6724 3.6139 3.2775 4.4562 3.2585 2.1730 2.5721 2.0192 4.2897 9.9820 13.4002 5.2666 10.8228 21.0947 5.3899 9.7372 13.1559 8.0694 2.5840 17.3811 4.5194 3.5664 4.6661 7.4837 4.8953 28.2609 12.6659 2.1660 3.4491 49.6078 6.2727 17.1006 12.0505 7.3774 9.9046 13.8301 143.3559 2.4472 9.3851 1.5369 30.9562 50.4468 48.9409 11.0568 43.0160 19.6380 21.5264 93.7074 62.4118 196.3141 46.9054 40.4962 84.6554 47.9424 94.7887 55.0373 110.3294 9.9377 37.5427 26.2585 75.5894 47.3352 80.4579 39.8431 77.8021 235.5355 72.7814 137.7738 19.2320 73.7273 0.7494 0.7457 0.7495 0.7103 0.7497 0.7439 0.7330 0.7154 0.5839 0.6613 0.7495 0.7352 0.6447 0.6928 0.7111 0.2652 0.7266 0.6671 0.1177 0.7316 0.6116 0.3944 0.7443 0.6179 0.3095 0.7463 0.7400 0.4156 0.4884 0.3328 0.7136 0.7431 0.7472 0.7342 0.6722 0.4346 0.7491 0.2263 0.3137 0.3111 0.5346 0.7489 0.0622 0.4928 0.1342 0.7491 0.6356 0.1790 0.0793 0.7361 0.7134 0.3011 0.5287 0.1163 0.5563 0.1591 0.1776 0.4410 0.7217 0.5362 0.5938 0.7207 0.6277 0.3486 0.3598 0.6992 0.0241 0.1834 0.3078 0.7487 0.5740 0.6695 0.1476 0.6145 0.2363 0.7289 0.1836 0.2467 0.1987 0.7107 0.4181 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0.3957 0.3315 0.8309 0.5897 0.4401 0.6524 0.6035 0.7759 0.7580 0.8516 0.2500 0.8532 0.7049 0.8008 0.3939 0.7189 0.6631 0.7961 0.8124 0.8571 0.8483 0.5605 0.3730 0.7664 0.7255 0.8493 0.4532 0.8269 0.8571 0.6373 0.6951 0.7334 0.8208 0.8552 0.8089 0.7962 0.4722 0.8550 0.8568 0.6304 0.2819 0.2390 0.2954 0.8142 0.6720 0.8556 0.2388 0.2517 0.3025 0.1441 0.1489 0.2054 0.2315 0.7900 0.1628 0.5857 0.8388 0.6718 0.8080 0.8480 0.6409 0.5616 0.6182 0.8455 0.8500 0.2498 0.7217 0.3482 0.3486 0.3626 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 7 8 6 6 6 6 16 35 6 8 7 6 6 6 7 1 6 6 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 12.00000 14.00307 15.99491 12.00000 12.00000 12.00000 12.00000 31.97207 78.91834 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 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 11428.1481 30723.6346 39394.2072 0.99963 -0.02690 -0.00337 0.02687 0.99959 -0.00979 0.00363 0.00969 0.99995 1 0.00758 0.00282 0.00220 0.15792 0.05874 0.04581 9.68 19.35 28.55 42.69 46.96 64.09 82.37 96.77 117.57 137.93 158.82 190.08 208.17 212.72 242.15 287.98 303.97 329.57 360.03 377.09 402.24 413.49 418.32 461.99 473.90 557.82 572.12 604.19 630.87 647.78 663.28 691.19 697.14 732.94 764.66 779.99 806.20 838.29 859.86 919.73 940.99 995.09 1002.93 1029.57 1119.50 1123.69 1142.37 1151.60 1154.18 1166.96 1223.27 1242.71 1278.27 1292.58 1305.43 1364.83 1406.72 1422.62 1436.28 1467.16 1496.81 1524.05 1533.31 1536.40 1554.11 1572.26 1584.23 1595.94 1614.06 1622.52 1640.84 1643.63 1648.66 1650.94 1665.14 1699.22 1731.82 1740.64 1749.77 1782.79 1828.37 1862.05 1870.93 1878.57 1887.76 1931.63 1955.49 1964.55 1997.51 2035.80 2036.07 2045.75 2068.41 2091.74 2102.72 2113.57 2133.18 2166.44 2192.13 2210.06 2215.92 2247.15 2260.29 2271.72 2282.01 2299.58 2321.87 2340.93 2341.02 2348.36 2354.96 2356.86 2370.16 2372.09 2382.91 2393.99 2404.91 2448.29 2484.16 2556.13 2570.37 2596.60 2606.00 2747.07 4613.47 4632.08 4647.25 4665.15 4679.79 4699.71 4704.00 4725.05 4730.00 4735.68 4759.94 4765.33 4789.06 4828.07 4832.90 4845.79 4848.15 4876.60 4897.97 4909.75 4935.40 5297.55 5603.08 0.446638 0.471471 0.472415 0.384976 -4088.412372 -4088.387539 -4088.386595 -4088.474033 2.932685D-04 MUNgauss RevisionA2.1 retrievium 20-May-2021 DUDE Cc1c(c(no1)c2ccc(s2)Br)C(=O)NCCC[NH+]3CCc4ccccc4C3 C64820227 RHF 6-31G(d) (6D,10F) C1 460.069435 |X|Y|Z| 30.391649 71.561772 124.334376 64.665929 25 6 7 8 16 20 3 1 1 |36.858105| |12.789037|36.858105| |7.252325|14.019829|36.858105| |5.185501|8.705194|13.215069|36.858105| |5.316254|8.651115|8.488239|14.868576|53.358707| |7.996328|14.517094|8.748867|9.006550|19.042788|73.516695| |3.723652|5.227459|7.191727|12.904409|10.921191|9.619296|36.858105| |3.127943|4.114982|5.116086|7.548800|8.341757|7.797631|14.139483|36.858105| |2.579870|3.219773|3.892104|5.076301|5.898866|5.970504|8.191870|13.265317|36.858105| |2.545727|3.153962|3.868410|4.865838|5.514180|5.713389|7.726465|8.283232|14.197008|36.858105| |3.121481|4.031613|5.262299|6.766807|6.959745|7.104675|10.941715|7.439969|7.419106|11.030041|388.023441| |2.075890|2.451587|2.879276|3.337775|3.993442|4.396420|4.431264|4.622591|6.607514|10.187943|43.457726|2539.412838| |5.848108|7.564954|12.904921|7.148916|7.034410|9.409360|5.626514|4.324359|3.556670|3.644477|34.357412|96.344754|36.858105| |6.112466|6.493740|8.090853|5.129131|5.662646|8.076192|4.186740|3.396058|2.912421|3.010064|27.352688|83.869550|15.768612|73.516695| |4.186065|5.196106|7.892307|6.190277|6.039715|7.438777|5.937237|4.775263|4.057057|4.180052|37.803234|109.235369|14.063744|15.193582|53.358707| |3.430027|3.876500|5.066012|4.216814|4.523494|5.724507|4.208830|3.674022|3.361571|3.511699|29.404117|99.680207|7.840435|12.475722|17.977361|36.858105| |3.094057|3.407325|4.268559|3.645159|4.023552|5.115409|3.681885|3.169941|3.021611|3.319045|28.476016|99.556309|6.096457|10.909425|10.531587|12.415499|36.858105| |2.601336|2.748248|3.241880|2.838639|3.272168|4.216841|2.866370|2.577592|2.507208|2.708676|21.869158|85.311735|4.271133|8.050519|6.820412|7.546358|12.498202|36.858105| |2.350858|2.447254|2.805379|2.499877|2.946733|3.813574|2.522046|2.265982|2.235049|2.451931|19.819457|79.925715|3.502621|6.705020|5.226730|4.928461|7.592132|12.652060|53.358707| |2.325930|2.461791|2.847786|2.582557|3.030717|3.872496|2.649230|2.363120|2.361337|2.647205|21.589800|87.634778|3.494748|6.504575|5.246625|4.727331|7.495455|9.300014|25.683691|0.500000| |2.470043|2.493362|2.778923|2.423608|2.903226|3.846307|2.367263|2.104810|2.039788|2.217907|18.263809|71.380204|3.439485|6.964654|4.781204|4.234303|5.955164|7.592643|17.244946|0.258581|36.858105| |2.191403|2.208599|2.416757|2.163183|2.637451|3.481896|2.129236|1.903808|1.868387|2.048250|16.727243|67.592283|2.849163|5.616882|3.909446|3.267374|4.324623|4.983443|10.492599|0.206951|12.538396|36.858105| |1.887506|1.914329|2.091114|1.913020|2.347067|3.067678|1.916359|1.747278|1.741405|1.904205|15.078146|64.402333|2.422922|4.642818|3.406948|2.864918|3.653067|4.401304|9.121258|0.181305|7.552910|12.574644|36.858105| |1.700689|1.716297|1.848470|1.711486|2.128517|2.784696|1.714612|1.574218|1.575353|1.718081|13.467309|58.790019|2.089921|3.973410|2.907003|2.377827|2.907505|3.332483|6.138971|0.126241|5.005013|7.564643|13.684641|36.858105| |1.527773|1.546944|1.663030|1.557857|1.946390|2.533254|1.574093|1.463409|1.476606|1.603392|12.324726|55.614776|1.861565|3.491796|2.615144|2.135277|2.544210|2.921478|5.117657|0.105110|3.871678|5.021559|7.904124|13.807888|36.858105| |1.495007|1.523449|1.649621|1.551370|1.929457|2.496823|1.581297|1.482398|1.504788|1.629558|12.356868|56.870393|1.855702|3.449876|2.651322|2.196786|2.602002|3.070202|5.314385|0.107743|3.740756|4.428494|6.835260|7.944800|13.711948|36.858105| |1.615354|1.655123|1.813242|1.695206|2.085997|2.692191|1.734023|1.623063|1.646618|1.784960|13.557589|61.895010|2.074528|3.855803|3.010471|2.559863|3.091443|3.837891|6.907937|0.136216|4.505789|5.005734|7.906513|6.898380|7.959320|13.815536|36.858105| |1.826189|1.869817|2.064061|1.900617|2.317062|3.002911|1.929048|1.779541|1.787924|1.948342|15.135834|66.377466|2.409216|4.543885|3.486913|3.017594|3.829412|4.964180|10.404186|0.196100|6.700701|7.537969|13.726612|7.954137|6.874034|7.921917|13.682556|36.858105| |1.999612|2.065209|2.321371|2.116017|2.539722|3.280120|2.155287|1.986790|1.987417|2.157424|16.779910|72.268654|2.790303|5.249777|4.161667|3.810765|5.006142|7.646922|17.317713|0.259771|7.771248|6.428384|7.519638|5.014504|4.448350|5.051741|7.644179|12.598486|36.858105| |17.583641|9.013140|5.724673|4.544433|6.666136|12.977434|3.375118|2.952462|2.435191|2.356475|19.828516|65.812730|4.707804|8.509714|4.943690|3.046382|2.715135|2.338751|2.876638|0.057845|2.203514|1.967784|1.721282|1.562011|1.415818|1.390770|1.497989|1.676322|1.830892|0.500000| |17.564015|9.021366|5.849066|4.556110|6.556375|12.437299|3.393561|2.850009|2.403090|2.408456|21.099515|67.984457|4.854556|9.213303|4.927692|3.046515|2.866813|2.437443|3.076831|0.062583|2.410624|2.182769|1.871086|1.701030|1.522930|1.477319|1.582935|1.787906|1.928235|0.301859|0.500000| |17.684493|8.970582|6.747504|4.618638|5.997225|10.325534|3.486754|2.949073|2.476473|2.465356|21.407387|69.276403|6.509429|13.838407|6.156858|3.821902|3.431641|2.895730|3.522822|0.070083|2.757651|2.394294|2.039251|1.819122|1.624068|1.589865|1.728413|1.972069|2.178900|0.298229|0.300383|0.500000| |3.132803|4.067006|4.789304|6.734401|8.271921|7.915215|8.935522|17.752523|8.588371|5.753104|37.653563|127.920231|3.994966|5.687373|5.837363|3.372246|2.860272|2.380225|2.843046|0.059727|1.957697|1.768700|1.628635|1.473196|1.374251|1.393146|1.521277|1.660000|1.850405|0.084481|0.078301|0.081342|0.500000| |2.294922|2.784404|3.253537|4.048424|4.938211|5.180400|5.710757|8.564782|17.772503|8.924852|37.595911|207.543720|3.024721|4.521861|4.666700|2.962530|2.671688|2.284615|2.787342|0.059748|1.866595|1.719382|1.621792|1.476414|1.395870|1.429265|1.559205|1.674632|1.853957|0.061066|0.059556|0.061416|0.200854|0.500000| |3.829833|4.921888|7.434778|6.941046|6.509858|7.513234|7.540112|6.150030|5.052064|5.042592|44.103768|123.488014|9.332888|10.878573|26.091642|9.025124|6.028750|4.250962|4.583599|0.095432|3.041495|2.565451|2.286668|1.978113|1.801815|1.835751|2.072111|2.356545|2.777918|0.094937|0.092623|0.110012|0.148538|0.115237|0.500000| |2.969188|3.363665|4.282193|3.836148|4.181150|5.172455|4.048201|3.731054|3.524048|3.630085|28.370900|104.519162|5.796464|9.047791|12.639176|17.590571|8.793067|6.743567|6.117953|0.120926|3.706937|2.954033|2.692522|2.256185|2.064745|2.159203|2.528962|2.911631|3.703895|0.075205|0.073764|0.089632|0.095448|0.087755|0.233745|0.500000| |3.549637|3.818481|4.719113|3.800218|4.228938|5.549257|3.621357|3.223685|2.914737|2.974021|24.426811|85.745199|7.212205|13.163306|12.525571|17.588686|8.841169|7.053468|6.349622|0.118100|4.232873|3.202441|2.799271|2.328792|2.090661|2.147003|2.494882|2.937538|3.702575|0.088437|0.086401|0.113872|0.084921|0.072718|0.186885|0.302105|0.500000| |3.465149|3.755763|4.653982|3.797887|4.220355|5.496500|3.659369|3.061667|2.860600|3.145134|28.157124|93.514418|6.836028|13.619415|9.889389|8.964815|17.629495|8.829025|9.530039|0.193653|6.601194|4.737033|3.737633|2.988148|2.555021|2.544277|2.956531|3.703160|4.555087|0.082287|0.090254|0.108570|0.077008|0.069858|0.152629|0.174720|0.211129|0.500000| |2.855259|3.221988|4.065589|3.678897|4.037170|4.983817|3.920370|3.368569|3.322066|3.803476|32.804523|116.248567|5.355576|8.929037|9.432131|8.843443|17.530584|8.849553|9.272039|0.217062|5.146837|4.103314|3.576628|2.888891|2.553084|2.620261|3.097753|3.768248|4.765514|0.069995|0.074466|0.085309|0.082273|0.080832|0.166581|0.214845|0.173789|0.301671|0.500000| |2.351660|2.507312|2.950783|2.665151|3.086394|3.922961|2.762299|2.549299|2.529575|2.720456|21.107411|87.384667|3.748386|6.758480|6.197117|6.718518|8.806070|17.615008|12.387119|0.211898|5.627529|4.177628|3.996472|3.111596|2.829069|3.071378|3.907139|4.783414|7.576641|0.059627|0.061082|0.071580|0.065513|0.064838|0.113038|0.195331|0.170146|0.173185|0.214737|0.500000| |2.662049|2.738193|3.158351|2.711116|3.166988|4.160860|2.667447|2.414642|2.310715|2.443154|19.620313|76.169773|4.177554|8.253252|6.376613|6.933603|8.761456|17.613379|12.417835|0.182860|7.374688|4.695397|4.116395|3.170588|2.785806|2.910179|3.582354|4.550282|6.662089|0.066888|0.068823|0.083937|0.063033|0.058894|0.109240|0.168304|0.213728|0.207257|0.172770|0.301757|0.500000| |2.381989|2.362190|2.592744|2.254565|2.727047|3.645272|2.186000|1.968638|1.898868|2.031907|16.451074|65.226565|3.191407|6.530042|4.416754|3.947404|5.081482|6.818368|12.463599|0.182491|17.615869|8.783660|6.634822|4.657631|3.732563|3.665408|4.416034|6.276813|7.383881|0.059734|0.064203|0.074534|0.051479|0.048666|0.078397|0.097418|0.115099|0.150499|0.119528|0.147254|0.215098|0.500000| |2.854984|2.871553|3.217432|2.728799|3.241990|4.339313|2.611026|2.275882|2.170113|2.360314|20.007796|74.189804|4.090568|8.658174|5.477617|4.742490|6.787918|7.263935|12.294713|0.215830|17.664926|8.797671|5.511115|4.092554|3.252694|3.115099|3.614525|4.910595|5.645192|0.069405|0.077450|0.089832|0.058641|0.054571|0.094090|0.109596|0.132020|0.243379|0.155274|0.144612|0.198959|0.301306|0.500000| |2.175978|2.150184|2.305629|2.053017|2.535552|3.390562|1.991678|1.783127|1.736090|1.885202|15.390284|61.811089|2.680726|5.368292|3.587292|2.935359|3.697520|4.128462|7.646030|0.147452|8.989871|17.577601|8.863586|6.979758|4.682096|3.973896|4.239397|5.737097|4.950945|0.054407|0.060794|0.066245|0.046373|0.044497|0.065479|0.073489|0.081629|0.114597|0.096118|0.097424|0.113675|0.218010|0.208745|0.500000| |2.246320|2.293036|2.522519|2.277526|2.771136|3.632974|2.253552|1.994566|1.965781|2.186129|18.126023|72.503565|2.938373|5.707699|4.011057|3.257383|4.365735|4.629872|9.162748|0.209565|8.887602|17.516269|8.871206|6.557336|4.559165|3.992134|4.375149|6.055621|5.356804|0.055622|0.062686|0.067389|0.051008|0.049932|0.073529|0.081526|0.086361|0.135738|0.120236|0.108952|0.116366|0.173594|0.219321|0.304655|0.500000| |1.708275|1.712362|1.826679|1.689565|2.115788|2.783264|1.679413|1.535190|1.529139|1.666924|13.166993|56.780417|2.045020|3.908809|2.798985|2.248537|2.721025|3.013425|5.354814|0.111124|4.577629|7.044583|8.915001|17.709575|8.946352|5.649797|4.964555|5.654590|4.082208|0.043515|0.047900|0.050627|0.039952|0.039737|0.052887|0.058752|0.061331|0.079362|0.074957|0.077208|0.080409|0.117875|0.109293|0.205491|0.181718|0.500000| |1.429417|1.443126|1.539439|1.449914|1.825381|2.378429|1.463135|1.364848|1.378201|1.492451|11.421137|51.955140|1.702804|3.184837|2.376174|1.913582|2.240236|2.514208|4.243789|0.087631|3.240238|4.099164|5.634429|8.945085|17.733897|8.900360|5.656580|4.953839|3.556330|0.036941|0.039758|0.041992|0.035702|0.036309|0.045734|0.051483|0.052137|0.062811|0.062598|0.067809|0.067092|0.087373|0.078143|0.110843|0.106931|0.216040|0.500000| |1.382712|1.409832|1.520893|1.440886|1.801005|2.325797|1.473723|1.392769|1.419852|1.530776|11.469019|53.821334|1.695133|3.129266|2.425346|1.994170|2.311820|2.687591|4.446991|0.090396|3.106050|3.543733|4.933901|5.649052|8.892470|17.737004|8.943739|5.639943|4.121947|0.035935|0.037939|0.040657|0.036480|0.037698|0.047039|0.054973|0.054196|0.062457|0.064931|0.075859|0.071201|0.085414|0.073849|0.090475|0.090862|0.124210|0.214243|0.500000| |1.563120|1.608727|1.767742|1.662277|2.043443|2.625357|1.712588|1.618813|1.651117|1.780504|13.320946|62.051718|2.019954|3.716390|2.969976|2.543729|3.005602|3.762002|6.333296|0.123865|3.943445|4.080859|5.630815|4.963716|5.655089|8.950512|17.698885|8.890260|7.128262|0.040474|0.042294|0.046369|0.042250|0.043695|0.057248|0.071220|0.068838|0.078029|0.083950|0.111400|0.097632|0.109178|0.090354|0.097759|0.101489|0.107696|0.124308|0.216043|0.500000| |1.915413|2.005344|2.272666|2.107019|2.520528|3.215022|2.187421|2.040127|2.071301|2.255583|17.175276|76.811631|2.706530|4.952638|4.144336|3.800092|4.855496|7.075067|12.410420|0.227855|5.651325|4.920822|5.701835|4.239586|3.993024|4.726513|7.098634|8.851312|17.623335|0.048967|0.051089|0.057417|0.052602|0.053971|0.078401|0.107108|0.099891|0.116957|0.135303|0.230982|0.162029|0.147372|0.126775|0.109531|0.123575|0.097613|0.090847|0.111980|0.211331|0.500000| |1.986874|2.027198|2.257993|2.041139|2.462663|3.208098|2.056562|1.908409|1.890955|2.019955|15.619777|66.827758|2.722412|5.185218|4.033462|3.736049|4.617459|7.212370|12.477698|0.182605|6.992623|5.474845|6.092779|4.387100|3.984243|4.517439|6.446914|8.791248|17.587121|0.050875|0.052919|0.060627|0.049905|0.049237|0.074496|0.101160|0.105241|0.117343|0.116468|0.200220|0.203543|0.219792|0.146018|0.127075|0.124164|0.101936|0.090705|0.105836|0.177075|0.301962|0.500000| 4087.032688 -15828.039418 4848.914248 -268.225908 -7160.318390 3069.244309 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