Version2.1 2021-01-13T02:36:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCn1c2c(c(nc1=O)SCC(=O)Nc3nc4ccc(cc4s3)C)CCC2 C09745586 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCn1c2c(c(nc1=O)SCC(=O)Nc3nc4ccc(cc4s3)C)CCC2 C01[X(C23H30N5O2S2)] 180 C1 548 CC[NH+](CCn1c(=O)nc(c2c1CCC2)SCC(=O)Nc1nc2c(s1)cc(cc2)C)CC CC[NH+](CCn1c(=O)nc(c2c1CCC2)SCC(=O)Nc1nc2c(s1)cc(cc2)C)CC CC[NH+](CC)CCN1C(=O)N=C(SCC(=O)Nc2sc3cc(C)ccc3n2)C4=C1CCC4 InChIKey=JHIUXPLZLVCODS-UHFFFAOYSA-O InChI=1S/C23H29N5O2S2/c1-4-27(5-2)11-12-28-18-8-6-7-16(18)21(26-23(28)30)31-14-20(29)25-22-24-17-10-9-15(3)13-19(17)32-22/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,24,25,29)/p+1 InChI=1/C23H29N5O2S2/c1-4-27(5-2)11-12-28-18-8-6-7-16(18)21(26-23(28)30)31-14-20(29)25-22-24-17-10-9-15(3)13-19(17)32-22/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,24,25,29)/p+1/fC23H30N5O2S2/h25,27H/q+1 CC[NH+](CC)CCn1c2c(c(nc1=O)SCC(=O)Nc3nc4ccc(cc4s3)C)CCC2 C01[X(C23H30N5O2S2)] 180 C01 548 CC[NH+](CCn1c(=O)nc(c2c1CCC2)SCC(=O)Nc1nc2c(s1)cc(cc2)C)CC CC[NH](CCN1[C]([O])[N][C]([C]2=C1CCC2)SCC(=O)NC1=N[C]2[C]([CH][C]([CH][CH]2)C)S1)CC CC[NH](CC)CCN1[C]([O])[N][C](SCC(=O)NC2=N[C]3[CH][CH][C](C)[CH][C]3S2)C4=C1CCC4 InChIKey=KGVJAWOBPFMGIQ-UHFFFAOYSA-N InChI=1S/C23H30N5O2S2/c1-4-27(5-2)11-12-28-18-8-6-7-16(18)21(26-23(28)30)31-14-20(29)25-22-24-17-10-9-15(3)13-19(17)32-22/h9-10,13,27H,4-8,11-12,14H2,1-3H3,(H,24,25,29) InChI=1/C23H30N5O2S2/c1-4-27(5-2)11-12-28-18-8-6-7-16(18)21(26-23(28)30)31-14-20(29)25-22-24-17-10-9-15(3)13-19(17)32-22/h9-10,13,27H,4-8,11-12,14H2,1-3H3,(H,24,25,29)/f/h25H 3379.6983178974 -2105.287902 1-A 30832.7386 125 423 548 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.05825 -92.03190 -20.64816 -20.61838 -15.81516 -15.75876 -15.68555 -15.66637 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19.6134 25.9809 31.5789 36.8871 52.5935 60.0855 63.0188 75.6572 92.0148 98.2915 101.0659 103.8304 120.8727 129.1120 142.8513 148.1227 179.0700 195.7667 204.1108 211.6899 230.0309 237.1067 253.1794 263.0359 270.9048 300.8205 317.5304 318.4763 325.0880 360.3082 368.3881 392.5936 416.9381 418.3525 446.5710 452.8832 459.0645 485.5138 488.3254 491.4769 501.7976 550.4454 555.4687 568.5145 573.2582 603.0445 608.3199 633.9973 662.1687 670.0972 680.1595 722.3446 740.0305 753.0609 760.9040 768.5042 818.3700 832.2834 849.0623 863.9013 882.5712 896.0372 901.6933 904.4322 924.9059 927.5039 934.2502 970.9209 975.2915 985.8823 988.1051 996.0786 997.5359 1017.7696 1034.5776 1042.0761 1059.5191 1099.3224 1101.4603 1102.1870 1106.7663 1113.5934 1140.0739 1165.8812 1166.1259 1168.7286 1173.8274 1183.7260 1204.7948 1235.3304 1247.0484 1259.8147 1266.3791 1289.2520 1296.8207 1305.1559 1312.0797 1316.1921 1322.5168 1340.0900 1343.2437 1358.3169 1366.1227 1385.7833 1408.6867 1423.1129 1427.0999 1431.6070 1449.4387 1463.9170 1473.9713 1481.9493 1490.9359 1501.7948 1524.7809 1528.6221 1540.4562 1550.4148 1565.8810 1569.1590 1571.1976 1583.7880 1584.6215 1597.4626 1621.1951 1622.9934 1628.3094 1630.0915 1630.9177 1634.1567 1639.5443 1639.7180 1639.8293 1645.6283 1648.0824 1650.9475 1658.2838 1662.3901 1663.2637 1681.1335 1697.1974 1705.6513 1755.6879 1796.8171 1807.1022 1828.4543 1864.8064 2015.2811 3206.1686 3207.3277 3224.7961 3228.5915 3230.1633 3249.8134 3261.7378 3266.0346 3268.5206 3269.9163 3271.6721 3276.0542 3276.1285 3285.9395 3290.9566 3297.2107 3302.3579 3306.7836 3307.2318 3308.2570 3324.0846 3332.7324 3344.3134 3348.7269 3358.3130 3363.7586 3376.3520 3399.2855 3407.9506 3866.0981 6.0991 4.9962 4.9549 3.9863 5.0770 5.8675 4.9093 5.7693 1.0849 4.5897 2.4073 3.4210 2.5648 2.4458 4.6106 2.0679 3.6692 3.9577 1.9828 5.2237 3.9418 5.5047 1.3554 5.0804 4.1081 1.7088 4.3959 3.8655 6.2993 2.3149 2.2667 4.3984 2.3398 4.0276 5.7291 4.7383 2.6898 4.1160 1.8802 3.3985 2.6075 2.7370 5.9743 7.0156 3.2073 4.0579 6.8200 3.7202 3.4902 2.8590 6.5116 5.4469 4.9894 8.6465 2.7763 4.4317 6.5754 4.9077 4.4756 1.7523 5.3861 1.2218 4.5166 4.1701 2.0141 2.0203 2.9210 4.8283 1.3957 2.8296 2.3203 2.4644 1.3312 2.5468 2.8539 2.0545 2.4222 3.3471 6.6652 1.3321 2.8368 1.5617 2.4191 2.7877 2.4535 2.5189 1.8398 1.9986 1.5243 1.6204 4.5038 1.6443 1.9926 2.9004 3.3029 1.2064 1.1918 2.5601 2.0239 1.8978 3.0389 2.3290 2.3819 1.4558 1.3690 3.6859 1.2544 1.2398 1.7304 1.2631 1.4658 1.8660 1.3698 1.6717 1.4535 2.8273 1.2500 1.2622 1.8680 1.9577 2.8395 1.2448 1.3089 1.2425 1.2531 1.0901 1.0966 1.1093 1.1096 1.0444 1.0512 1.0995 1.0739 1.2802 1.0898 1.1311 2.1981 1.0694 1.0841 1.1094 1.1372 1.2411 4.5515 1.8670 6.1166 6.7175 8.7536 7.0583 8.6393 10.7513 1.0682 1.0375 1.0670 1.0366 1.0364 1.0753 1.1027 1.0910 1.0647 1.0596 1.0674 1.0923 1.0707 1.1025 1.0703 1.1043 1.1039 1.1064 1.1026 1.1026 1.1071 1.1060 1.1037 1.1037 1.1014 1.0906 1.0927 1.0955 1.0838 1.0786 0.0002 0.0004 0.0011 0.0016 0.0030 0.0047 0.0080 0.0123 0.0025 0.0155 0.0120 0.0195 0.0154 0.0155 0.0397 0.0203 0.0441 0.0512 0.0375 0.1180 0.0968 0.1453 0.0423 0.1683 0.1551 0.0697 0.1901 0.2061 0.3742 0.1383 0.1411 0.3364 0.1871 0.3658 0.5868 0.4886 0.3160 0.4974 0.2335 0.4720 0.3663 0.3895 0.8863 1.2524 0.5831 0.7727 1.3205 0.7971 0.7610 0.6771 1.6822 1.4410 1.3599 2.6581 0.8958 1.4808 2.2430 1.7077 1.7660 0.7152 2.2877 0.5373 2.0728 1.9727 0.9648 0.9737 1.4722 2.4473 0.7177 1.5716 1.3004 1.4113 0.7657 1.4888 1.6732 1.2539 1.5275 2.1415 4.4084 0.9485 2.0278 1.1178 1.7459 2.0368 1.8789 2.0173 1.4741 1.6084 1.2375 1.3378 3.8517 1.4784 1.8257 2.7122 3.1209 1.1815 1.1809 2.5694 2.0529 1.9371 3.1316 2.4642 2.5321 1.5825 1.5053 4.1705 1.4666 1.4794 2.0764 1.5253 1.8143 2.3561 1.7534 2.1631 1.9037 3.7570 1.7122 1.7378 2.6117 2.7726 4.1021 1.8059 1.9038 1.8362 1.8539 1.6390 1.6982 1.7216 1.7334 1.6351 1.6475 1.7299 1.7009 2.0280 1.7266 1.8048 3.5176 1.7173 1.7564 1.8064 1.8536 2.0666 7.7245 3.2002 11.1084 12.7781 16.8423 13.9033 17.7010 25.7266 6.4697 6.2879 6.5376 6.3663 6.3713 6.6909 6.9120 6.8569 6.7015 6.6752 6.7315 6.9069 6.7708 7.0140 6.8298 7.0735 7.0927 7.1283 7.1058 7.1102 7.2077 7.2381 7.2732 7.2923 7.3190 7.2707 7.3389 7.4585 7.4165 9.4987 0.3526 2.1715 0.8553 0.6056 1.1606 2.0272 2.6223 0.7238 0.4835 9.6287 2.2791 0.9074 2.6511 6.1125 1.0914 6.1516 0.6725 4.3447 8.0967 4.7547 2.0791 1.8000 0.1511 5.5412 1.3871 7.8858 5.7882 3.6035 3.4213 2.0274 0.5087 8.6297 1.3422 11.8254 18.0066 8.5631 34.8303 10.2787 61.4988 11.7528 2.2343 6.2680 2.4664 25.7713 1.0272 3.2608 2.6137 1.6058 7.6269 4.5057 13.8174 1.9801 7.0417 55.0859 7.9780 2.0276 2.1840 3.4319 0.5264 1.0691 9.1355 8.9378 3.0114 22.5666 8.6505 24.5320 21.6171 3.7985 41.3878 24.0773 33.7552 2.6406 3.3238 12.5892 6.3596 14.3781 18.7498 26.6869 2.5893 0.7102 8.9020 5.3632 3.6670 41.4738 20.7837 1.0795 7.6963 16.5619 3.3890 27.0267 173.1167 0.0877 5.4090 176.0457 7.1327 0.7153 15.0640 270.8098 6.7591 3.7159 280.4062 8.6440 8.1281 4.2945 12.6710 4.6428 6.4678 18.2076 4.0547 4.6070 95.0538 191.1920 6.3444 80.7823 16.2388 167.1143 8.5506 3.2819 79.5990 18.0327 5.6182 5.2594 44.4944 13.2726 16.4557 23.9115 36.4407 153.3683 45.2700 5.0114 1.5359 60.3617 7.5490 23.3360 1.3601 82.2785 41.5331 40.5274 7.5155 10.6876 65.5723 193.8799 224.2359 1048.9385 4.0362 69.6465 220.4509 138.3654 1316.3906 211.1598 25.7918 41.3244 21.4737 6.6514 6.6363 18.5084 24.8722 19.6493 3.1821 10.6206 8.5353 9.4521 42.8688 22.0196 18.3700 12.2150 3.4705 24.0970 11.0411 13.9388 0.2376 21.2339 11.2089 17.4009 3.6524 16.2412 11.0865 6.9545 714.9686 49.9851 6.4235 0.8363 1.8859 0.9264 0.7479 2.0109 0.9719 0.9934 0.3101 0.7399 0.1918 0.8315 0.4763 0.4037 0.7346 0.3398 0.9205 0.1171 0.2132 1.2919 0.5915 0.8156 0.0593 0.3446 0.8055 0.4766 0.8487 0.2281 0.1429 0.3764 0.2740 0.8200 0.3720 0.5432 0.3860 3.5697 9.2905 1.1543 1.7729 0.8725 2.1048 2.1418 2.1391 7.7566 2.0902 2.4596 7.9887 1.5020 0.9448 0.2870 5.4183 2.0481 0.4297 1.5269 1.4659 8.4135 14.8812 6.2923 3.0957 11.5894 5.0976 2.1234 22.7136 1.0716 10.2771 3.6849 4.7836 15.1207 1.1677 10.7009 7.1809 2.9562 2.2458 15.3888 2.1460 2.2787 11.0665 3.6822 5.4862 0.7959 2.6831 10.4451 6.9759 6.6147 3.5651 1.3417 1.9978 1.7526 0.2138 0.9163 12.6034 1.0233 6.5172 6.7309 78.6113 0.3703 12.9877 9.8331 6.2706 5.1869 11.1273 34.2038 2.4819 22.3618 27.3177 132.9696 10.6266 5.8016 64.6740 4.8125 53.1869 28.4415 6.1578 3.4934 3.9770 32.6670 7.9180 3.7894 27.8377 14.1195 3.1122 28.7009 9.2343 4.5899 3.4946 10.9733 9.9194 8.3922 24.5000 22.0930 12.5777 15.7389 12.7804 13.8299 21.8644 17.1914 85.1488 19.1152 5.0295 10.4037 5.4993 9.5968 104.8556 38.5193 50.6093 422.8956 14.9701 26.4826 17.3704 24.1814 130.7780 221.9614 88.9595 98.3883 106.1173 68.2580 123.3516 114.0105 22.9836 54.8681 29.8393 167.5451 121.1766 69.8768 107.7559 59.9077 43.7697 115.6784 91.1195 92.5605 27.2360 37.8449 35.9408 29.5569 43.1843 105.5265 71.2092 116.8927 81.5291 74.7322 0.7488 0.7484 0.7500 0.7483 0.7014 0.7123 0.6851 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0.4827 0.4610 0.3411 0.3961 0.7520 0.3000 0.4996 0.1781 0.6057 0.6250 0.7979 0.8543 0.6692 0.8536 0.8188 0.7536 0.8571 0.8479 0.8028 0.8567 0.6925 0.8537 0.6128 0.5412 0.7786 0.8486 0.6652 0.5688 0.4748 0.5941 0.5254 0.7161 0.4933 0.4192 0.4521 0.6214 0.2831 0.3255 0.1107 0.3224 0.0552 0.0698 0.5249 0.8571 0.4907 0.6784 0.0457 0.3841 0.2704 0.4049 0.8500 0.1032 0.8390 0.8367 0.7979 0.6961 0.6353 0.8555 0.6630 0.8545 0.6395 0.6437 0.5818 0.4439 0.3658 0.4233 0.2953 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 57 58 59 60 61 62 6 6 7 1 6 6 6 6 7 6 6 6 7 6 8 16 6 6 8 7 6 7 6 6 6 6 6 6 16 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 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7620.3184 49320.3486 54372.4099 0.99999 -0.00531 0.00069 0.00531 0.99998 -0.00397 -0.00066 0.00397 0.99999 1 0.01137 0.00176 0.00159 0.23683 0.03659 0.03319 11.17 16.26 28.22 37.38 45.43 53.07 75.67 86.45 90.67 108.85 132.39 141.42 145.41 149.39 173.91 185.76 205.53 213.12 257.64 281.66 293.67 304.57 330.96 341.14 364.27 378.45 389.77 432.81 456.86 458.22 467.73 518.40 530.03 564.85 599.88 601.92 642.52 651.60 660.49 698.55 702.59 707.13 721.97 791.97 799.20 817.97 824.79 867.65 875.24 912.18 952.71 964.12 978.60 1039.29 1064.74 1083.49 1094.77 1105.71 1177.45 1197.47 1221.61 1242.96 1269.82 1289.20 1297.34 1301.28 1330.73 1334.47 1344.18 1396.94 1403.23 1418.46 1421.66 1433.13 1435.23 1464.34 1488.53 1499.32 1524.41 1581.68 1584.76 1585.80 1592.39 1602.21 1640.31 1677.44 1677.80 1681.54 1688.88 1703.12 1733.43 1777.36 1794.22 1812.59 1822.04 1854.95 1865.84 1877.83 1887.79 1893.71 1902.81 1928.09 1932.63 1954.32 1965.55 1993.83 2026.79 2047.54 2053.28 2059.76 2085.42 2106.25 2120.72 2132.19 2145.12 2160.75 2193.82 2199.35 2216.37 2230.70 2252.95 2257.67 2260.60 2278.72 2279.92 2298.39 2332.54 2335.13 2342.77 2345.34 2346.53 2351.19 2358.94 2359.19 2359.35 2367.69 2371.22 2375.35 2385.90 2391.81 2393.07 2418.78 2441.89 2454.05 2526.04 2585.22 2600.02 2630.74 2683.04 2899.54 4612.96 4614.63 4639.76 4645.22 4647.48 4675.76 4692.91 4699.10 4702.67 4704.68 4707.21 4713.51 4713.62 4727.73 4734.95 4743.95 4751.36 4757.72 4758.37 4759.84 4782.62 4795.06 4811.72 4818.07 4831.86 4839.70 4857.82 4890.81 4903.28 5562.45 0.554340 0.584590 0.585534 0.486668 -2104.733562 -2104.703312 -2104.702368 -2104.801234 3.315982D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE CC[NH+](CC)CCn1c2c(c(nc1=O)SCC(=O)Nc3nc4ccc(cc4s3)C)CCC2 C09745586 RHF 6-31G(d) (6D,10F) C1 472.184094 |X|Y|Z| 60.897845 30.024532 161.932855 66.650649 22 6 7 16 16 4 2 |36.858105| |12.516057|36.858105| |7.578248|12.668068|53.358707| |7.458196|9.292184|25.353875|0.500000| |5.984381|7.639837|17.258728|0.255322|36.858105| |4.436512|4.999519|10.308555|0.206038|12.515416|36.858105| |5.015444|7.665321|17.303425|0.262296|7.653732|5.997665|36.858105| |4.402950|5.902188|10.205034|0.210348|4.988203|4.455416|12.414281|36.858105| |3.726083|4.452139|7.868929|0.183652|4.372689|4.417823|7.545523|13.035110|53.358707| |2.943122|3.423822|5.713975|0.125945|3.488294|3.636264|5.394124|7.674662|18.931750|36.858105| |2.588406|2.877726|4.700184|0.105491|3.015910|3.272130|4.058875|5.132635|10.977112|14.200949|36.858105| |2.698182|2.887167|4.720471|0.110756|3.059552|3.413743|3.779136|4.583048|9.603195|8.067132|13.331841|36.858105| |3.220089|3.385622|5.646389|0.141018|3.556747|3.975175|4.283685|5.174057|10.957678|6.981735|7.975614|14.658024|53.358707| |3.993442|4.394888|7.745782|0.206524|4.429107|4.706377|5.971792|7.797865|18.642487|7.991096|6.929084|8.276336|19.237620|36.858105| |5.199616|5.464174|9.673644|0.307761|5.194270|5.251648|6.227565|7.168105|11.574849|5.474202|4.799521|5.562457|11.508391|15.600865|73.516695| |2.224465|2.313140|3.646674|0.083486|2.470246|2.774323|2.825931|3.230314|5.839358|4.831232|7.030276|10.941989|9.776726|4.864599|6.906153|388.023441| |2.311194|2.312985|3.597367|0.084058|2.466078|2.788256|2.640834|2.930503|5.049967|3.744030|4.649493|6.953763|9.175280|4.592349|7.107392|74.737156|36.858105| |1.970545|1.958479|2.982753|0.068048|2.085946|2.338631|2.186244|2.378950|3.915845|2.950075|3.565353|4.647304|5.971246|3.359909|5.407674|50.048886|12.513515|36.858105| |1.794690|1.804569|2.741318|0.061600|1.925892|2.150026|2.042199|2.220294|3.629772|2.818326|3.449766|4.252595|5.170034|2.994025|4.769845|48.042896|8.005567|16.052460|73.516695| |1.933482|1.883002|2.824646|0.064422|1.991166|2.216766|2.025998|2.173058|3.475076|2.543178|2.938853|3.703558|5.080918|3.000861|5.040761|34.146741|7.919078|13.892740|14.901055|53.358707| |1.710977|1.662862|2.464354|0.055373|1.756419|1.940285|1.768140|1.875151|2.930972|2.156657|2.450360|2.942099|3.994384|2.461320|4.186865|26.231992|5.077810|7.751203|11.803446|18.584153|36.858105| |1.582272|1.550797|2.304516|0.051259|1.659755|1.842122|1.665457|1.751212|2.724264|2.028968|2.307337|2.706343|3.600174|2.244941|3.798295|24.257049|4.309935|6.361517|11.359096|11.009162|15.133292|53.358707| |1.442575|1.407966|2.067821|0.045630|1.494062|1.640009|1.490899|1.559765|2.386219|1.771661|1.981062|2.268599|3.038242|1.942624|3.324645|19.545482|3.313672|4.412785|7.963882|7.344474|8.743920|18.663887|36.858105| |1.321712|1.296651|1.901396|0.041592|1.383352|1.516542|1.377106|1.431139|2.172181|1.622274|1.803517|2.023442|2.688638|1.742766|2.981466|17.196643|2.775656|3.524628|6.600208|5.410612|5.432023|10.509578|13.682952|36.858105| |1.228621|1.201175|1.745938|0.038015|1.271180|1.381117|1.261641|1.307711|1.963091|1.460322|1.604665|1.779820|2.380815|1.565688|2.699421|14.764671|2.351329|2.867153|5.282462|4.385360|4.187003|7.025153|7.995738|13.855106|36.858105| |1.226442|1.190633|1.717636|0.037448|1.245619|1.343223|1.234782|1.282354|1.914925|1.414125|1.543288|1.714563|2.317660|1.532514|2.662549|14.031252|2.261226|2.715488|4.873518|4.256698|4.054891|6.210721|6.827448|7.838413|13.564904|36.858105| |1.320305|1.274325|1.836304|0.040289|1.323931|1.426044|1.314126|1.371625|2.055458|1.508934|1.649175|1.854811|2.528439|1.661910|2.896207|15.209974|2.522038|3.060294|5.345547|5.016621|4.983665|7.099694|7.843534|6.791810|7.930639|13.788329|36.858105| |1.439885|1.392002|2.022967|0.044702|1.454255|1.579227|1.448456|1.518746|2.304005|1.693236|1.871958|2.141966|2.915146|1.882832|3.260187|17.979708|3.084715|3.932523|6.772522|6.830359|7.820018|11.024727|13.718468|7.938446|6.964636|7.986062|13.712805|36.858105| |1.625901|1.558844|2.264402|0.050647|1.608661|1.742849|1.610418|1.705590|2.607798|1.895107|2.099768|2.462085|3.412766|2.174919|3.782026|20.639960|3.780215|4.834612|7.636338|9.561673|10.817797|10.019065|7.437227|4.888762|4.264169|4.677119|6.705079|10.882050|388.023441| |1.129292|1.095305|1.569218|0.034026|1.139777|1.220224|1.127787|1.167474|1.726844|1.273344|1.376858|1.511871|2.048369|1.371562|2.394272|12.152827|1.922781|2.239414|4.014776|3.431666|3.087962|4.560244|4.429317|5.010719|7.549437|12.607226|7.563141|5.033971|25.277151|36.858105| |2.173468|2.407673|3.812789|0.082589|2.527887|2.719765|3.286948|3.934770|7.065017|8.043235|12.621058|7.128701|6.767329|4.482993|6.196417|41.857866|3.847448|3.214771|5.837628|3.599999|2.273601|2.980265|1.898841|1.755536|1.565239|1.494216|1.578825|1.778854|13.873195|1.338401|36.858105| |2.179527|2.474570|3.857441|0.081121|2.521510|2.615693|3.473122|4.237643|6.968170|7.991745|7.997535|5.026445|5.503600|4.039287|5.787410|28.870408|3.013173|2.576747|4.627169|3.003899|1.934536|2.537215|1.649118|1.537443|1.390023|1.336023|1.406713|1.563116|12.125123|1.210379|12.317984|36.858105| |2.589447|3.057715|4.893323|0.101492|3.080830|3.121943|4.771063|6.231816|10.083505|12.630079|8.048579|5.151577|6.129767|4.988686|7.042471|26.748650|2.962640|2.471004|4.309307|2.937145|1.879587|2.442604|1.590338|1.476435|1.339566|1.295058|1.369219|1.519181|11.882662|1.175807|7.675752|12.311999|36.858105| |17.594288|8.726256|9.153910|0.182492|6.421170|4.781182|4.451612|3.782431|4.541963|2.698445|2.418410|2.543362|4.106492|3.623048|8.218966|15.191305|2.246005|1.932799|3.127188|2.601711|1.701024|2.149509|1.442810|1.325157|1.232873|1.229626|1.321054|1.438427|11.491871|1.133101|2.049767|2.034867|2.384756|0.500000| |17.581097|8.815542|9.377726|0.221375|5.261339|4.291621|4.797542|4.564179|5.494503|3.131334|2.784498|2.977289|4.987843|4.580374|11.325590|17.315072|2.576883|2.166342|3.465634|2.902892|1.866190|2.323718|1.548389|1.406792|1.303695|1.304903|1.414491|1.551388|12.623383|1.196148|2.296130|2.267300|2.675520|0.300434|0.500000| |17.585615|8.941233|7.551720|0.148613|4.620218|3.573419|4.171314|3.808796|4.384684|2.625313|2.325251|2.400259|3.810870|3.373898|7.422388|14.333795|2.088537|1.807764|2.944946|2.426662|1.593436|2.008638|1.356279|1.246423|1.165482|1.167929|1.256045|1.360782|10.891500|1.081190|1.989276|2.014048|2.364245|0.303015|0.301608|0.500000| |8.750564|17.603543|12.383688|0.181857|7.372570|4.670664|6.646415|4.904373|5.134025|3.046578|2.582721|2.552265|3.955440|3.624955|7.559319|14.853465|2.073323|1.784069|2.949684|2.338221|1.533470|1.962322|1.316606|1.220994|1.135134|1.123628|1.196168|1.299549|10.244547|1.038131|2.218547|2.306745|2.825891|0.208496|0.172259|0.211107|0.500000| |8.892440|17.646713|12.376497|0.213203|5.636454|4.144774|7.595896|6.821240|6.477481|3.640848|2.996413|2.950972|4.657364|4.491790|9.573375|16.651136|2.306779|1.950348|3.207540|2.537097|1.644453|2.083189|1.390404|1.279430|1.186148|1.177318|1.261302|1.377152|10.991758|1.083760|2.506951|2.624690|3.286582|0.172872|0.212235|0.216809|0.302604|0.500000| |6.955762|7.570961|12.405276|0.209553|17.666532|8.886717|5.647478|4.130789|5.000894|2.988303|2.647493|2.732534|4.336153|3.847802|8.243372|16.114348|2.317510|1.985108|3.244741|2.621049|1.710799|2.194750|1.461342|1.352750|1.249242|1.230108|1.309370|1.432028|11.274660|1.129264|2.246362|2.229676|2.657211|0.239986|0.159768|0.146306|0.209916|0.148508|0.500000| |4.967169|6.641560|12.388693|0.181225|17.603163|8.757308|7.370972|4.654116|5.393264|3.293216|2.824965|2.779824|4.240918|3.793576|7.473492|16.168566|2.225458|1.910237|3.176016|2.472752|1.618482|2.098530|1.395605|1.301744|1.200088|1.173653|1.240489|1.355591|10.561830|1.078422|2.432867|2.481329|3.043170|0.144413|0.119194|0.114342|0.205394|0.144427|0.302848|0.500000| |3.802562|4.440497|9.140276|0.182975|8.721821|17.585313|6.432281|4.818839|6.776634|4.201086|3.744045|3.799472|5.834831|5.040901|9.164787|21.498353|2.921561|2.432528|4.018346|3.073402|1.968771|2.560629|1.664604|1.543327|1.398590|1.351869|1.430477|1.589235|12.414749|1.224949|3.099129|2.972167|3.597821|0.108686|0.103956|0.087596|0.115710|0.108028|0.172787|0.208602|0.500000| |4.582578|4.774211|9.365474|0.219210|8.805569|17.582166|5.275416|4.314736|6.134052|3.651894|3.381168|3.707789|6.158588|5.263094|10.980358|21.445281|3.149600|2.596307|4.163013|3.376411|2.142367|2.738731|1.777796|1.627783|1.476063|1.439022|1.538658|1.716043|13.632032|1.300008|2.750909|2.579261|3.024974|0.137927|0.130221|0.101124|0.118040|0.111599|0.211707|0.172230|0.300828|0.500000| |3.839873|4.161199|7.550256|0.147746|8.939885|17.587531|4.626098|3.584430|4.835831|3.064955|2.826615|2.940452|4.523315|3.744235|7.267749|17.721521|2.524752|2.172939|3.577577|2.832010|1.848203|2.410579|1.588131|1.479640|1.352092|1.312545|1.385885|1.526582|11.847453|1.196453|2.427098|2.336215|2.716446|0.118829|0.101566|0.088906|0.113325|0.096938|0.216641|0.211213|0.303005|0.301651|0.500000| |4.140977|5.648672|12.328265|0.210422|7.588433|6.923898|17.660052|8.849792|9.834770|5.640487|4.305069|3.942934|5.902135|5.733584|9.913329|21.003040|2.710852|2.246821|3.756496|2.807086|1.800428|2.327465|1.524097|1.413124|1.289176|1.253631|1.328523|1.467795|11.519477|1.142346|3.516366|3.670844|5.040142|0.107936|0.111290|0.096970|0.145348|0.148793|0.148766|0.212512|0.238136|0.158462|0.146195|0.500000| |4.717273|7.491754|12.419001|0.184491|6.557174|4.914356|17.608497|8.827921|7.616576|4.464566|3.451111|3.168370|4.731117|4.526438|8.371837|17.532125|2.304070|1.949860|3.268317|2.475926|1.607968|2.072006|1.374942|1.277740|1.177527|1.154126|1.223653|1.339178|10.510983|1.060164|2.936181|3.201449|4.320778|0.116215|0.119476|0.114525|0.206864|0.216104|0.143455|0.200676|0.142579|0.118539|0.113059|0.302646|0.500000| |3.685752|4.837904|7.630559|0.149338|4.147726|3.739548|8.998171|17.686108|12.567886|7.517214|4.928111|4.116899|5.878703|5.754538|9.160430|21.392871|2.659199|2.205545|3.720421|2.731352|1.750881|2.242690|1.475815|1.362961|1.249169|1.223138|1.302025|1.434769|11.355866|1.117651|4.039900|4.720991|7.497144|0.089375|0.103692|0.092355|0.119791|0.157700|0.097397|0.113624|0.113818|0.098764|0.086994|0.204226|0.229278|0.500000| |5.016985|6.560233|9.691647|0.209591|4.602156|3.992126|8.764866|17.632648|12.508796|5.975211|4.429240|4.186590|6.650530|7.231757|13.360271|21.659370|2.858512|2.330355|3.833277|2.939279|1.864993|2.349782|1.545135|1.411715|1.295499|1.279197|1.375058|1.519037|12.233417|1.166975|3.459364|3.663064|4.939756|0.113542|0.149515|0.122014|0.142693|0.236472|0.111871|0.116794|0.113620|0.111011|0.090863|0.174299|0.200244|0.304471|0.500000| |2.446764|2.416035|3.695154|0.087357|2.478074|2.732628|2.683658|3.036474|5.186553|3.726702|4.460044|6.558272|9.560319|4.853385|7.671999|56.366548|17.618174|8.810814|10.889586|9.746127|4.730170|5.267762|3.095956|2.582552|2.233269|2.192811|2.478474|2.998985|27.160118|1.880967|3.615300|2.928504|2.928359|0.065312|0.077124|0.061621|0.059511|0.067551|0.065222|0.061753|0.078233|0.086153|0.068179|0.074788|0.065070|0.075946|0.084454|0.500000| |2.467589|2.456693|3.891875|0.091914|2.717216|3.167225|2.799866|3.020575|5.183878|3.712528|4.440730|6.543928|9.598920|4.870466|7.735157|56.323047|17.618400|8.862166|11.092826|9.548374|4.730320|5.591297|3.188373|2.700191|2.293896|2.200470|2.439032|2.959560|25.361595|1.878449|3.606478|2.883794|2.919189|0.067480|0.076424|0.061146|0.061062|0.066900|0.070913|0.067231|0.091748|0.101983|0.079571|0.080697|0.067146|0.074901|0.081159|0.302847|0.500000| |2.087819|2.005062|2.996785|0.069070|2.103775|2.334768|2.115822|2.266371|3.607325|2.576458|2.921545|3.721416|5.365987|3.189525|5.478509|31.938116|7.682673|9.343338|10.831484|26.045094|9.317955|8.242822|4.552476|3.463621|2.916485|2.903417|3.452883|4.525778|47.646427|2.388848|2.567226|2.171599|2.163565|0.057393|0.064686|0.053318|0.050458|0.054958|0.056916|0.052809|0.065215|0.073598|0.060590|0.059326|0.052555|0.057510|0.063204|0.217790|0.203329|0.500000| |1.309819|1.293566|1.907402|0.041604|1.393278|1.535731|1.388866|1.439469|2.190562|1.647758|1.839772|2.051666|2.697818|1.746831|2.969441|17.562440|2.768178|3.498675|6.754995|5.122097|4.834144|9.506222|8.911596|17.738698|8.893781|5.588392|4.911372|5.648960|28.861396|4.083653|1.807209|1.576079|1.505608|0.036505|0.038583|0.034236|0.033914|0.035421|0.037685|0.036531|0.043676|0.045592|0.041720|0.039824|0.035795|0.038174|0.039193|0.070286|0.075185|0.090400|0.500000| |1.158557|1.136316|1.649959|0.035748|1.205526|1.307949|1.195497|1.234664|1.844938|1.376306|1.506570|1.653462|2.204281|1.460034|2.516611|13.602684|2.121302|2.535419|4.714062|3.774276|3.441172|5.665117|5.673816|8.988812|17.706905|8.894354|5.652583|4.998598|24.445685|7.054298|1.480627|1.322293|1.272211|0.032328|0.033986|0.030582|0.029949|0.031160|0.032901|0.031753|0.036844|0.038607|0.035706|0.033996|0.031107|0.032882|0.033899|0.055875|0.057738|0.070319|0.214975|0.500000| |1.307591|1.255340|1.795997|0.039386|1.291329|1.380884|1.280744|1.337647|1.991951|1.454416|1.577835|1.769333|2.430612|1.610542|2.825789|14.282905|2.364715|2.794698|4.813609|4.567562|4.302986|5.763861|5.602419|4.910212|5.629718|8.910200|17.723319|8.873643|44.045495|6.975884|1.505017|1.351207|1.321285|0.036314|0.038955|0.034701|0.032728|0.034559|0.035619|0.033599|0.038302|0.041384|0.037252|0.035784|0.033207|0.035268|0.037455|0.065693|0.063549|0.089993|0.106826|0.124033|0.500000| |1.081144|1.053130|1.507799|0.032611|1.093195|1.167527|1.089181|1.129930|1.670049|1.237976|1.339761|1.461084|1.966037|1.318160|2.291648|11.764121|1.832285|2.129311|3.871093|3.198904|2.834679|4.207116|3.977779|4.599157|6.712068|8.846459|5.900826|4.323548|22.585064|17.549064|1.312352|1.189210|1.149347|0.030059|0.031748|0.028796|0.027768|0.029021|0.030016|0.028823|0.032663|0.034409|0.031775|0.030658|0.028503|0.030167|0.031338|0.049740|0.049412|0.061477|0.108136|0.191496|0.152300|0.500000| |1.130045|1.091256|1.555657|0.033750|1.127049|1.200693|1.114607|1.155052|1.702371|1.249752|1.345420|1.477927|2.014427|1.354234|2.375211|11.778157|1.871910|2.156291|3.818631|3.327528|2.955995|4.208929|3.953116|4.155022|5.558580|8.832773|7.258650|4.752229|25.268992|17.584277|1.302160|1.182523|1.153087|0.031475|0.033296|0.030137|0.028710|0.030021|0.031111|0.029591|0.033362|0.035573|0.032662|0.031236|0.029136|0.030691|0.032209|0.051440|0.050762|0.065294|0.095610|0.141012|0.221837|0.301832|0.500000| |1.103291|1.069785|1.533134|0.033162|1.119818|1.200774|1.099691|1.131800|1.668767|1.228228|1.323074|1.448587|1.967368|1.323410|2.316801|11.560517|1.822346|2.099757|3.754930|3.198460|2.832564|4.210144|3.975874|4.607187|6.739592|8.845366|5.878715|4.312344|22.504490|17.549806|1.285952|1.166246|1.136460|0.030863|0.032356|0.029338|0.028242|0.029314|0.030872|0.029472|0.033435|0.035480|0.032858|0.030999|0.028753|0.030092|0.031370|0.049316|0.049958|0.062219|0.108392|0.193065|0.151450|0.302249|0.301796|0.500000| |2.014059|2.190537|3.390059|0.073750|2.254364|2.408676|2.841023|3.385037|5.865900|5.974662|8.766468|6.367593|6.130289|3.935950|5.594252|43.876110|3.927655|3.377958|6.286961|3.734162|2.367702|3.102982|1.976815|1.824108|1.624144|1.550365|1.640010|1.851176|14.438649|1.385757|17.589185|8.692348|5.687533|0.052797|0.059438|0.051682|0.056104|0.063534|0.056566|0.060094|0.074560|0.068422|0.060349|0.082611|0.071395|0.096066|0.085874|0.103112|0.098255|0.073040|0.052092|0.042603|0.043379|0.037884|0.037432|0.036797|0.500000| |2.061976|2.276461|3.634779|0.078117|2.483343|2.732783|3.096876|3.512700|6.110903|6.320787|8.859169|6.177637|6.096109|4.011736|5.700746|40.130283|3.733985|3.199451|5.917225|3.569544|2.275306|3.032127|1.926586|1.796752|1.594433|1.508223|1.581892|1.782973|13.713809|1.348936|17.546174|8.671018|6.194924|0.054741|0.060022|0.052320|0.058887|0.064767|0.061234|0.066784|0.087649|0.076279|0.068658|0.094560|0.077167|0.099071|0.085374|0.094179|0.099469|0.069972|0.051901|0.042063|0.041640|0.036756|0.036272|0.036132|0.303312|0.500000| |2.094564|2.354151|3.569050|0.075188|2.311459|2.357005|3.153354|3.913645|6.195068|6.473914|6.477717|4.486876|5.039015|3.695206|5.407610|26.739839|2.855897|2.474190|4.450271|2.906872|1.882312|2.457697|1.608307|1.497894|1.361055|1.314783|1.386895|1.535413|11.939839|1.194723|8.804380|17.593016|8.829688|0.053964|0.060765|0.054386|0.060895|0.070293|0.057578|0.063069|0.072754|0.065053|0.058761|0.089559|0.082039|0.122318|0.098011|0.078683|0.074659|0.058434|0.042445|0.035949|0.037148|0.032687|0.032513|0.031880|0.225978|0.175973|0.500000| |2.002756|2.272579|3.521347|0.072867|2.359926|2.453878|3.148408|3.635112|5.664624|5.827002|5.820948|4.084402|4.612043|3.389688|5.025844|24.955090|2.674219|2.347793|4.267034|2.759828|1.803232|2.392642|1.565965|1.474553|1.337066|1.280108|1.338033|1.478494|11.323106|1.164228|8.660230|17.616512|8.692356|0.052429|0.057201|0.051675|0.059824|0.066313|0.058129|0.065500|0.077650|0.066380|0.061864|0.093929|0.082444|0.112849|0.087684|0.071427|0.071822|0.055136|0.042206|0.035529|0.035648|0.031856|0.031523|0.031250|0.189179|0.220502|0.303243|0.500000| |2.575608|3.092420|5.050233|0.101589|3.278001|3.338864|5.082085|5.902080|8.774730|8.910124|6.330830|4.462954|5.488934|4.516571|6.627163|24.055928|2.734682|2.310065|4.035854|2.770022|1.787177|2.341216|1.529454|1.429117|1.298470|1.251658|1.316850|1.456222|11.292733|1.139116|6.196533|8.646581|17.513627|0.066692|0.072544|0.065058|0.081050|0.090462|0.077234|0.092221|0.109810|0.087212|0.081135|0.159569|0.130202|0.195836|0.126152|0.074090|0.076461|0.056665|0.040636|0.034381|0.035255|0.030912|0.030981|0.030711|0.130084|0.158748|0.175907|0.220659|0.500000| |2.629830|3.137990|4.824315|0.098455|2.969184|2.895536|4.734046|6.460147|8.962380|8.752585|5.978184|4.300284|5.388658|4.517917|6.684059|23.129753|2.667417|2.252854|3.913514|2.721781|1.755065|2.272386|1.493120|1.387204|1.267511|1.232640|1.304517|1.438552|11.267625|1.124984|5.686335|8.690088|17.580864|0.066307|0.075050|0.067649|0.080842|0.096595|0.071963|0.082174|0.090108|0.077761|0.070311|0.130379|0.124747|0.246328|0.147983|0.074755|0.072696|0.056038|0.039105|0.033465|0.035153|0.030574|0.030757|0.030190|0.130710|0.130088|0.226916|0.189970|0.302437|0.500000| 2103.463178 -11686.827967 4328.324568 -229.946317 -5484.986540 3379.698561 -2105.287978 2.000868 40B2300000000015 44B934C4FB63D616 4439B54F89112BF2 41B1998325000006 402A000000000001 43A9D64CB0972855