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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.89120 -20.51914 -20.51687 -20.44633 -20.39075 -20.38204 -15.77234 -15.51967 -15.47169 -11.26886 -11.24596 -11.20905 -11.19130 -11.18829 -11.18574 -11.18282 -11.18134 -11.17764 -11.16979 -11.16962 -11.16615 -11.16558 -11.16493 -11.16274 -11.16166 -11.15820 -11.15656 -11.14734 -11.14429 -11.14191 -11.13819 -11.13683 -11.13308 -11.13177 -11.12616 -11.07316 -8.90048 -6.58272 -6.58188 -6.57990 -1.54989 -1.33189 -1.31462 -1.23879 -1.23278 -1.22255 -1.16509 -1.10686 -1.07594 -1.06746 -1.00904 -0.98768 -0.97997 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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 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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 6 7 16 24 2 1 |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 -12645.140261 4945.475596 -233.911872 -5966.556425 3997.331764 -1969.224661 2.001121 40C7580000000006 458591962A371C44 450551A14663F073 4220D31428000006 B495C72F9A2489FE 445588238DD4BE04