Version2.0 2020-01-21T06:10:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc2c1NC(=O)[C@]23[C@H]4[C@@H]([C@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)CCc5ccc(c(c5)OC)OC C08791035 RHF 6-31G(d) (6D,7F) Cc1cccc2c1NC(=O)[C@]23[C@H]4[C@@H]([C@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)CCc5ccc(c(c5)OC)OC C01[X(C26H29N4O6)] 189 C1 598 COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)[C@@]2([NH2+][C@@H]3CC(=O)N)C(=O)Nc3c2cccc3C)ccc1OC COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)[C@@]2([NH2+][C@@H]3CC(=O)N)C(=O)Nc3c2cccc3C)ccc1OC COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)[NH2+][C@]4([C@@H]3C2=O)C(=O)Nc5c(C)cccc45)cc1OC InChIKey=KJDHFVIVMXGJFJ-GPNHVJLWSA-O InChI=1S/C26H28N4O6/c1-13-5-4-6-15-22(13)28-25(34)26(15)21-20(16(29-26)12-19(27)31)23(32)30(24(21)33)10-9-14-7-8-17(35-2)18(11-14)36-3/h4-8,11,16,20-21,29H,9-10,12H2,1-3H3,(H2,27,31)(H,28,34)/p+1/t16-,20-,21+,26-/m1/s1 InChI=1/C26H28N4O6/c1-13-5-4-6-15-22(13)28-25(34)26(15)21-20(16(29-26)12-19(27)31)23(32)30(24(21)33)10-9-14-7-8-17(35-2)18(11-14)36-3/h4-8,11,16,20-21,29H,9-10,12H2,1-3H3,(H2,27,31)(H,28,34)/p+1/t16-,20-,21+,26-/m1/s1/fC26H29N4O6/h28-29H,27H2/q+1 Cc1cccc2c1NC(=O)[C@]23[C@H]4[C@@H]([C@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)CCc5ccc(c(c5)OC)OC C01[X(C26H29N4O6)] 189 C01 598 COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)[C@@]2([NH2+][C@@H]3CC(=O)N)C(=O)Nc3c2cccc3C)ccc1OC COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)[C@@]2([NH2][C@@H]3CC(=O)N)C(=O)Nc3c2cccc3C)ccc1OC COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)[NH2][C@]4([C@@H]3C2=O)C(=O)Nc5c(C)cccc45)cc1OC InChIKey=GIVOFCRLVQKACO-GPNHVJLWSA-N InChI=1S/C26H29N4O6/c1-13-5-4-6-15-22(13)28-25(34)26(15)21-20(16(29-26)12-19(27)31)23(32)30(24(21)33)10-9-14-7-8-17(35-2)18(11-14)36-3/h4-8,11,16,20-21H,9-10,12,29H2,1-3H3,(H2,27,31)(H,28,34)/t16-,20-,21+,26-/m1/s1 InChI=1/C26H29N4O6/c1-13-5-4-6-15-22(13)28-25(34)26(15)21-20(16(29-26)12-19(27)31)23(32)30(24(21)33)10-9-14-7-8-17(35-2)18(11-14)36-3/h4-8,11,16,20-21H,9-10,12,29H2,1-3H3,(H2,27,31)(H,28,34)/t16-,20-,21+,26-/m1/s1/f/h28H,27H2 3925.3689345780 -1668.2865147 1-A 22609.4130 130 468 598 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.69908 -20.67716 -20.67257 -20.64625 -20.64042 -20.63707 -15.86094 -15.75121 -15.73368 -15.69736 -11.51847 -11.49058 -11.49030 -11.48180 -11.47713 -11.45747 -11.42150 -11.40989 -11.39860 -11.38794 -11.38509 -11.37906 -11.37234 -11.36581 -11.36357 -11.35561 -11.35497 -11.35211 -11.33882 -11.33325 -11.32763 -11.31769 -11.30219 -11.29080 -11.29018 -11.28774 -1.57021 -1.55362 -1.53236 -1.51672 -1.49636 -1.48310 -1.45779 -1.43526 -1.40282 -1.33383 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879.9640 893.9816 917.7432 927.1137 935.5363 942.0007 960.2283 972.4936 982.0843 1013.0230 1034.0336 1049.0436 1049.9528 1058.3912 1076.4161 1088.6901 1107.9660 1118.8991 1124.8938 1131.0348 1149.5401 1161.0807 1167.4242 1174.7651 1181.3363 1189.1574 1195.2050 1200.5546 1210.7906 1230.2566 1240.5275 1243.2708 1281.6041 1293.8579 1294.1205 1298.4696 1305.0635 1321.4289 1333.2335 1334.5427 1340.1821 1346.0642 1380.6255 1392.2190 1394.3204 1403.8192 1404.3720 1407.0538 1414.1572 1427.2151 1438.3938 1452.6761 1454.4431 1458.3887 1475.7853 1482.4679 1506.5143 1513.8642 1533.2558 1536.8335 1544.2273 1566.2248 1572.0165 1572.9940 1586.6631 1588.8318 1606.7864 1626.7614 1629.8510 1630.8399 1631.2442 1638.6416 1647.1604 1649.6738 1651.4219 1651.6799 1658.4431 1658.7861 1664.1402 1708.1957 1791.8063 1799.9352 1801.5230 1808.2193 1812.1879 1823.6868 1966.6104 2001.5969 2009.9956 2072.2239 3204.1856 3204.6798 3208.4434 3215.2295 3217.9264 3256.6913 3259.0977 3264.9603 3271.2354 3285.9570 3289.1354 3308.1188 3308.5211 3316.9855 3335.5922 3336.3575 3337.8956 3344.8400 3359.3026 3370.1429 3382.9475 3386.1151 3404.6044 3409.3857 3668.8449 3733.1766 3826.9054 3868.7113 3956.2207 4.3798 5.1988 5.5676 5.2087 5.6047 5.3817 5.3090 4.6386 6.2672 3.3991 4.9688 4.2890 3.9983 6.0316 1.0744 7.1749 6.9327 4.1425 3.5474 5.2590 4.9608 3.4812 2.3263 3.4212 2.5930 3.3454 1.6997 2.4483 2.3092 1.2819 2.0399 2.9215 3.4683 4.2924 4.6828 3.2077 3.8289 3.9347 5.9457 4.9759 4.2775 3.3856 5.4110 3.4702 4.0185 1.4653 1.5473 4.4591 2.6145 5.6227 4.0170 4.0052 4.5737 3.9622 2.8746 5.5483 4.7805 5.8717 2.8009 3.7945 6.2471 3.1766 4.9020 4.7007 3.1948 4.7388 1.9478 4.8599 3.3264 3.8518 1.5515 2.5573 3.6896 1.6438 3.7666 3.1618 4.5787 2.5190 1.5531 3.0280 3.3888 1.3843 1.4100 2.2104 2.5737 1.9166 2.5200 1.3647 4.4621 3.8976 3.3899 4.9573 3.7547 1.5033 2.2662 2.0842 3.5120 2.0213 2.5583 1.8714 2.4205 2.4248 2.0575 1.2678 1.2681 1.9320 2.3282 1.6530 1.4492 1.5005 1.5492 1.8585 1.7312 1.8554 1.3965 2.0730 3.1388 2.1340 1.5445 1.4953 1.3781 1.4136 1.5535 1.8617 1.6529 3.6130 2.0739 1.6097 1.4825 2.5443 1.7897 1.9397 1.2560 1.8110 2.5838 1.9769 2.1082 1.1200 1.1297 1.0427 1.2060 1.3115 1.2680 1.1195 1.0477 1.0481 1.0524 1.0601 2.6464 3.0586 6.0413 4.6418 1.3062 1.0958 5.6432 6.8392 9.3186 12.5436 10.4004 12.2177 1.0353 1.0407 1.0349 1.0601 1.0694 1.1064 1.1025 1.1073 1.1076 1.0600 1.0966 1.0883 1.0999 1.0869 1.0899 1.1008 1.1014 1.1106 1.0915 1.0911 1.0921 1.0908 1.0970 1.0929 1.0557 1.0961 1.0476 1.0807 1.1065 0.0004 0.0008 0.0020 0.0029 0.0055 0.0057 0.0068 0.0100 0.0136 0.0119 0.0207 0.0209 0.0216 0.0435 0.0085 0.0692 0.0892 0.0681 0.0625 0.0989 0.1085 0.0867 0.0736 0.1154 0.0885 0.1240 0.0760 0.1126 0.1158 0.0697 0.1124 0.1627 0.2016 0.2988 0.3889 0.2900 0.3696 0.3909 0.6633 0.6097 0.5732 0.5014 0.8428 0.5511 0.6516 0.2592 0.2857 0.8743 0.5423 1.1860 0.8779 0.8971 1.1060 0.9982 0.7406 1.4555 1.3528 1.6811 0.8219 1.1327 1.9645 1.1469 1.8222 1.7884 1.2702 1.9438 0.8073 2.0470 1.4188 1.6897 0.7078 1.2042 1.8310 0.8325 1.9423 1.6531 2.4874 1.4036 0.8826 1.8308 2.1348 0.8976 0.9158 1.4588 1.7570 1.3384 1.8226 1.0066 3.3267 2.9377 2.6393 3.9375 3.0150 1.2224 1.8633 1.7364 2.9559 1.7165 2.2097 1.6688 2.1947 2.2083 1.9912 1.2505 1.2512 1.9192 2.3364 1.7007 1.5178 1.5745 1.6394 1.9840 1.9442 2.1189 1.5996 2.4069 3.6474 2.4892 1.8198 1.7946 1.6799 1.7575 1.9362 2.3330 2.1210 4.6783 2.7733 2.1736 2.0535 3.5406 2.5146 2.8035 1.8287 2.6401 3.8325 2.9404 3.2068 1.7462 1.7682 1.6340 1.8908 2.0748 2.0269 1.7950 1.6835 1.6846 1.7054 1.7186 4.3180 5.2583 11.4279 8.8604 2.4977 2.1110 10.9190 13.4016 21.2343 29.6091 24.7566 30.9109 6.2623 6.2969 6.2769 6.4570 6.5242 6.9138 6.8999 6.9545 6.9831 6.7432 6.9900 7.0172 7.0934 7.0455 7.1444 7.2195 7.2301 7.3208 7.2573 7.3012 7.3636 7.3689 7.4922 7.4846 8.3723 9.0005 9.0392 9.5303 10.2037 0.0314 0.2192 1.4149 2.0864 4.6991 0.9566 1.1497 1.3486 2.2729 8.7927 2.4641 5.5215 1.3393 3.9954 0.4747 4.9600 2.9709 1.0307 3.4176 0.4607 4.6095 4.6922 2.9987 1.4218 0.6205 0.8471 4.9777 9.5916 23.2835 219.1387 37.1960 2.1302 7.9694 4.8277 9.3437 2.1274 2.0164 7.5664 25.5693 17.6547 21.1437 4.2691 1.1064 2.4111 6.7022 4.3204 102.3039 12.3118 34.4867 4.5443 10.8815 20.4120 33.2146 9.4105 7.0336 4.2664 19.6821 15.2643 12.2937 15.7122 11.6703 2.5830 1.0299 1.2194 2.4116 31.5088 9.0168 4.6037 5.9274 21.6329 43.2076 12.6140 15.9273 31.3016 13.0772 9.0487 1.0370 10.4412 13.2555 29.1041 18.7050 1.5399 6.7382 5.8971 7.0832 10.1262 6.0457 1.8426 4.9911 64.2299 3.6893 97.9523 2.7321 0.6346 25.2195 10.2291 7.2940 5.0713 15.0825 3.9549 21.7625 12.8474 55.7039 1.1677 4.9457 185.3900 61.1313 7.4288 2.7320 8.5750 0.9717 56.9135 38.2004 14.0787 23.9631 113.8470 215.8525 13.4415 85.0653 87.4302 16.1466 24.1547 37.2876 35.0266 8.2763 301.0338 73.5645 91.8034 283.0496 189.5413 11.6547 168.0949 0.8179 28.5371 58.4411 164.1999 49.1257 9.4502 13.8816 10.1670 48.6752 0.3330 41.0589 10.0796 1.5923 9.7130 23.4286 38.0712 22.5838 300.1868 43.7094 92.9030 117.1418 93.2553 25.3315 35.7689 335.8442 675.1364 757.2016 28.0958 54.4277 22.2130 43.5942 43.8999 12.0147 13.6171 16.9107 52.1957 55.4906 14.9819 2.6979 2.0171 9.7746 6.1020 1.4300 29.4236 43.0567 2.3110 14.5696 3.3040 6.3145 10.6455 4.2562 11.5704 64.8879 71.1422 133.9249 135.8659 82.5748 3.3091 1.3099 1.1697 0.8684 1.3946 0.7825 0.8628 2.0444 0.2916 0.3141 1.6978 3.2019 1.8480 0.2700 0.3135 0.8366 0.5732 0.9334 0.3712 0.5087 1.0008 1.4933 0.7373 3.3489 0.6153 3.6855 1.0175 0.9056 2.3020 0.1094 0.2867 0.4118 2.2274 1.9584 2.5114 0.9828 2.8625 0.9003 2.4903 1.4344 0.9889 1.4657 2.5745 1.0533 3.5070 3.9936 1.2884 5.2919 0.9576 3.2601 0.5474 8.6934 2.3407 0.9054 2.9204 1.7485 4.0444 7.7068 2.1568 0.2752 1.8114 3.4915 5.1460 1.1517 0.7431 8.6635 3.4680 14.6670 1.3276 3.4178 3.4309 5.8396 2.6562 2.9537 1.0457 5.3605 4.8183 3.6614 3.1500 2.6035 4.1355 2.3402 0.6260 7.2102 0.5476 8.0671 3.9187 0.5593 7.5666 3.9073 8.7386 4.4740 1.7148 0.4291 9.9163 4.6706 3.1486 0.3448 8.1821 11.5841 10.0748 12.5877 0.2527 7.2020 0.9940 8.6372 2.1387 6.5247 3.4479 6.5237 6.2289 0.7081 9.5055 3.1642 6.3929 8.8792 2.6698 10.6930 3.4290 1.5886 4.5224 10.4096 1.7386 1.7343 5.2211 41.9042 0.8653 8.0827 0.9276 4.2726 9.7912 12.6804 12.1078 2.1632 8.1893 1.7788 5.7959 6.5048 17.0488 21.0047 9.1241 2.1266 5.9785 9.7565 25.0941 21.3850 19.8689 5.7717 6.3725 17.8405 17.5966 24.7711 2.5933 6.9773 109.5406 17.6816 6.8883 0.5086 15.6012 19.5748 60.3708 156.1547 120.9069 97.6922 84.1416 49.1416 75.3534 39.2686 45.1037 40.9416 31.6200 25.3767 71.4922 98.5753 33.0096 116.4232 158.3552 21.9770 57.3008 45.9213 76.8038 38.4861 153.6922 108.4855 36.3345 18.6879 119.3579 82.7653 52.0974 0.7487 0.7379 0.7487 0.6264 0.7497 0.7408 0.7372 0.7452 0.7221 0.7408 0.7256 0.7156 0.7200 0.7313 0.7179 0.3427 0.4871 0.6391 0.7260 0.2023 0.6255 0.5299 0.4822 0.6105 0.7451 0.4593 0.4250 0.2031 0.2318 0.5544 0.4281 0.1804 0.7227 0.5538 0.2574 0.5008 0.1142 0.4907 0.7429 0.7024 0.6820 0.7498 0.7488 0.6116 0.5573 0.7265 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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 1.00783 1.00783 1.00783 1.00783 1.00783 11181.3193 31674.8341 39422.3859 1.00000 -0.00199 -0.00008 0.00200 0.99999 0.00446 0.00007 -0.00446 0.99999 1 0.00775 0.00273 0.00220 0.16141 0.05698 0.04578 17.07 22.79 35.36 44.06 58.62 61.21 66.94 86.89 87.29 111.11 120.90 130.85 137.82 159.15 166.85 184.10 212.67 240.32 248.73 257.06 277.25 295.89 333.46 344.32 346.32 360.94 396.34 401.99 419.74 437.15 439.97 442.31 451.94 494.54 540.17 563.65 582.37 590.77 626.08 656.11 686.18 721.34 739.78 746.96 754.80 788.32 805.44 829.98 853.65 860.88 876.27 887.10 921.73 940.84 951.45 960.05 997.11 1002.94 1015.36 1024.13 1051.12 1126.31 1142.83 1156.16 1181.90 1200.49 1206.72 1216.52 1224.19 1241.49 1266.07 1286.24 1320.43 1333.91 1346.03 1355.33 1381.55 1399.20 1413.00 1457.51 1487.74 1509.34 1510.65 1522.79 1548.72 1566.38 1594.12 1609.85 1618.47 1627.31 1653.93 1670.54 1679.66 1690.22 1699.68 1710.93 1719.63 1727.33 1742.06 1770.06 1784.84 1788.79 1843.94 1861.57 1861.95 1868.21 1877.70 1901.24 1918.23 1920.11 1928.22 1936.69 1986.41 2003.09 2006.12 2019.78 2020.58 2024.44 2034.66 2053.44 2069.53 2090.08 2092.62 2098.30 2123.33 2132.94 2167.54 2178.11 2206.01 2211.16 2221.80 2253.45 2261.78 2263.19 2282.85 2285.97 2311.81 2340.55 2344.99 2346.41 2347.00 2357.64 2369.90 2373.51 2376.03 2376.40 2386.13 2386.62 2394.33 2457.71 2578.01 2589.71 2591.99 2601.62 2607.33 2623.88 2829.51 2879.85 2891.94 2981.47 4610.11 4610.82 4616.23 4626.00 4629.88 4685.65 4689.11 4697.55 4706.58 4727.76 4732.33 4759.65 4760.22 4772.40 4799.17 4800.27 4802.49 4812.48 4833.29 4848.88 4867.31 4871.86 4898.47 4905.35 5278.65 5371.21 5506.06 5566.21 5692.12 0.573483 0.605154 0.606098 0.506274 -1667.713032 -1667.681361 -1667.680417 -1667.780241 3.348113D-04 MUNgauss RevisionA2.0 retrievium 21-Jan-2020 DUDE Cc1cccc2c1NC(=O)[C@]23[C@H]4[C@@H]([C@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)CCc5ccc(c(c5)OC)OC C08791035 RHF 6-31G(d) (6D,10F) C1 493.208710 |X|Y|Z| 127.236858 72.784963 33.502093 67.697949 24 6 7 21 3 |36.858105| |12.621203|36.858105| |7.480827|13.671401|36.858105| |4.971668|7.808758|13.732976|36.858105| |4.380188|6.708248|7.916418|13.739210|36.858105| |4.986889|7.829511|6.958734|8.027306|13.794256|36.858105| |7.533814|13.789941|8.119126|6.960480|7.927683|13.731389|36.858105| |6.265151|7.616782|5.148942|4.613285|5.307392|8.340166|13.527927|53.358707| |4.369856|5.277042|4.147178|4.087226|5.088679|8.013638|8.354549|19.294932|36.858105| |3.599217|4.038252|3.308493|3.268388|3.922006|5.410976|5.545902|11.316458|15.977411|73.516695| |3.927780|5.180633|4.512055|4.960691|7.225373|12.618378|8.124055|11.129966|12.308213|13.983545|36.858105| |3.220297|3.989668|3.642450|4.035841|5.483249|7.150948|5.411080|7.588711|7.469365|11.036294|12.166465|36.858105| |3.151449|3.724273|3.293479|3.474235|4.390676|5.707519|4.949032|7.649636|7.641120|12.399010|8.746597|17.641038|0.500000| |2.634534|3.177583|3.029741|3.441324|4.567907|5.223740|4.023238|5.556553|5.299670|8.836917|7.701453|12.468081|0.240490|36.858105| |2.360390|2.757661|2.620815|2.906108|3.658181|4.110720|3.386741|4.806690|4.477277|7.945616|5.635668|8.697463|0.217775|17.631736|0.500000| |2.607556|3.123306|2.956985|3.328869|4.372964|5.058317|3.961952|5.584402|5.510350|9.653389|7.542917|7.680832|0.171800|12.545277|0.246116|36.858105| |2.383105|2.840570|2.773257|3.179796|4.100061|4.389089|3.462175|4.704359|4.325022|7.508313|5.704784|5.697074|0.130171|8.828584|0.194822|17.658886|0.500000| |3.208413|4.023503|3.726711|4.214752|5.876795|7.544591|5.456911|7.483412|7.656218|11.700708|12.467766|7.816036|0.168745|8.047990|0.160650|12.459322|0.249757|53.358707| |3.215837|3.902084|3.522381|3.810828|4.937434|6.321120|5.196024|7.603211|7.812708|13.038982|9.059633|5.938869|0.143394|5.938205|0.132135|9.023247|0.199241|25.675653|0.500000| |3.172190|4.062793|3.965566|4.729094|6.831073|7.620031|5.253316|6.567590|5.904422|8.908301|9.151619|6.282426|0.135629|6.653497|0.136579|9.088039|0.238321|25.692187|0.328178|0.500000| |2.397897|2.748656|2.540300|2.735903|3.377642|3.961132|3.414730|5.145362|5.124492|10.405259|5.608168|5.686514|0.151233|7.389101|0.197974|12.461164|0.245391|10.370418|0.211582|0.161276|36.858105| |2.028383|2.283053|2.152952|2.321610|2.785384|3.108629|2.726455|4.010563|3.713275|7.348406|4.042177|4.447533|0.121328|6.024404|0.190673|7.615160|0.195315|6.736998|0.133220|0.117752|12.494244|36.858105| |1.932474|2.190040|2.104460|2.305200|2.769653|2.996360|2.583370|3.688145|3.321565|6.269763|3.784952|4.365564|0.115476|6.368603|0.215249|7.069149|0.201562|6.158803|0.115721|0.112732|8.026266|15.885168|73.516695| |1.864423|2.050614|1.922555|2.034656|2.375400|2.644680|2.404661|3.588691|3.236182|6.591914|3.313401|3.535902|0.100188|4.309781|0.134070|5.115216|0.133887|5.279439|0.109645|0.094274|7.863106|14.208533|15.098754|53.358707| |2.500332|3.052328|3.071536|3.662972|4.875784|4.885497|3.679251|4.722107|4.091135|6.582337|5.871113|7.978561|0.161391|12.475995|0.251179|7.427522|0.200704|8.179717|0.127504|0.165626|4.884852|4.446081|9.005259|4.623696|36.858105| |2.248041|2.706607|2.783365|3.341643|4.271090|4.062836|3.154047|4.023947|3.403088|5.594403|4.594931|5.421965|0.119832|7.853122|0.184605|6.360688|0.202994|6.974607|0.113931|0.150728|4.399999|4.232322|8.942909|4.448699|16.071290|73.516695| |2.690028|3.318665|3.377040|4.046823|5.313840|5.190289|3.944418|4.905922|4.044102|6.289297|5.683128|8.113539|0.167643|8.141961|0.185547|5.271758|0.135932|6.748363|0.109434|0.136650|3.889517|3.523784|6.840522|3.879543|13.844194|14.808784|53.358707| |3.146924|3.933100|3.802781|4.355983|5.770079|6.411478|4.916594|6.206316|5.132108|7.629881|7.299585|12.462327|0.247665|7.935805|0.179779|5.206765|0.123938|7.222042|0.118177|0.137270|4.014594|3.469584|6.384998|3.889676|8.303840|9.905676|18.857057|36.858105| |3.359283|4.130884|3.970336|4.350768|5.276539|5.773653|4.924858|6.131722|4.661964|6.921260|5.811695|7.872039|0.197928|5.380459|0.132718|3.999691|0.097557|5.741757|0.099426|0.110821|3.308599|2.909792|5.285537|3.385180|5.553679|7.513663|11.344622|16.090231|73.516695| |2.430437|2.933122|3.100275|3.720466|4.459046|4.049432|3.274439|4.011688|3.146292|4.978737|4.057656|5.049591|0.117589|5.080223|0.128288|3.822132|0.103882|4.992198|0.085385|0.104582|3.022035|2.850194|5.578565|3.253681|7.596464|11.612934|17.636491|7.600017|11.672583|36.858105| |2.531703|3.103431|3.476688|4.398214|5.020193|4.105843|3.322794|3.889577|2.939459|4.579870|3.756027|4.159313|0.097324|4.064303|0.099924|3.367181|0.093651|4.679400|0.081284|0.102592|2.679428|2.485419|4.762461|2.884870|5.625421|9.521923|10.344195|5.693423|9.497016|12.451465|36.858105| |2.203392|2.599660|2.913824|3.504388|3.702298|3.137575|2.690766|3.215861|2.397048|3.818626|2.899976|3.170262|0.077846|3.133160|0.080480|2.683327|0.075313|3.679726|0.066013|0.079778|2.230512|2.120181|4.066962|2.516178|4.042184|7.171287|6.764361|4.074129|7.201141|7.586195|12.592201|36.858105| |1.941107|2.255252|2.511753|2.984959|3.140910|2.694707|2.330719|2.829185|2.126660|3.443547|2.539342|2.739599|0.067851|2.814430|0.073326|2.480987|0.071285|3.344090|0.060677|0.072982|2.086089|2.018670|3.908325|2.410044|3.602770|6.786167|5.530701|3.320780|5.713520|5.632101|7.569004|13.882116|36.858105| |1.745256|1.983483|2.193380|2.526090|2.590953|2.273727|2.021727|2.483891|1.852661|3.031921|2.152035|2.306513|0.058432|2.352552|0.062390|2.104732|0.060210|2.834820|0.052313|0.061209|1.816359|1.774672|3.416013|2.152966|2.877583|5.367164|4.341904|2.731407|4.805425|4.154760|5.008045|7.916402|13.629585|36.858105| |1.735518|1.948819|2.148333|2.421421|2.437383|2.165714|1.963199|2.417453|1.782478|2.916550|2.037860|2.186666|0.056200|2.177396|0.058079|1.940193|0.054662|2.635215|0.048947|0.056277|1.695486|1.650859|3.146839|2.019372|2.592357|4.688482|3.995832|2.607304|4.731518|3.771974|4.417958|6.804811|7.904490|13.856230|36.858105| |1.921170|2.165015|2.391678|2.682932|2.680178|2.382454|2.170323|2.652255|1.936954|3.139727|2.215226|2.393309|0.061650|2.318357|0.061519|2.034068|0.056432|2.793587|0.051676|0.059277|1.771612|1.705662|3.228395|2.081310|2.745502|4.810381|4.405643|2.937948|5.505502|4.236121|5.016388|7.867843|6.859746|7.925051|13.479465|36.858105| |2.186009|2.525219|2.813510|3.242126|3.291476|2.870839|2.558425|3.076392|2.250399|3.594674|2.636470|2.878470|0.072801|2.748925|0.071750|2.362204|0.065117|3.268727|0.059553|0.069603|2.015142|1.915699|3.628814|2.307423|3.343672|5.741878|5.639976|3.696483|6.975910|5.809107|7.548004|13.575529|7.975470|6.903280|7.907987|13.852883|36.858105| |1.844825|2.037166|2.227437|2.425023|2.385289|2.163211|2.018297|2.489369|1.800402|2.933944|2.014252|2.164672|0.056769|2.069985|0.055388|1.829720|0.050357|2.523039|0.047174|0.053038|1.620335|1.561147|2.929676|1.925338|2.375793|4.116059|3.776700|2.614610|5.003347|3.444126|3.861349|5.177724|4.627731|5.304814|8.173330|14.195813|7.905279|73.516695| |1.986732|2.174810|2.359053|2.513744|2.448796|2.251739|2.136706|2.636600|1.884030|3.057289|2.083382|2.240340|0.059410|2.089107|0.055866|1.837404|0.049902|2.557870|0.047942|0.053296|1.635679|1.563164|2.907268|1.932862|2.350588|3.981650|3.795444|2.726515|5.400117|3.366507|3.678789|4.502341|3.799787|3.991032|5.243689|8.031116|6.735154|24.222778|36.858105| |1.571561|1.736005|1.897783|2.096333|2.091156|1.886442|1.737533|2.161614|1.588867|2.621908|1.785304|1.902762|0.049536|1.894771|0.050999|1.709519|0.048124|2.319281|0.043548|0.049264|1.517962|1.486765|2.821259|1.838508|2.200863|3.979649|3.328003|2.219096|4.043079|3.005016|3.372074|4.604048|5.190208|7.898720|14.206142|8.171272|5.299738|13.169772|4.802060|73.516695| |1.436601|1.580149|1.720085|1.897302|1.900748|1.721912|1.586102|1.986297|1.467817|2.439788|1.643084|1.740702|0.045364|1.759113|0.047548|1.608194|0.045675|2.167931|0.040921|0.046148|1.436954|1.418675|2.698650|1.762308|2.033126|3.736791|2.995524|1.988771|3.568462|2.641643|2.919944|3.784189|4.507857|6.733267|8.037827|5.243082|3.988269|8.532301|3.552738|24.190604|36.858105| |17.534668|8.825987|5.855874|4.273526|3.926264|4.550585|6.643072|8.489561|4.395721|6.621723|3.773782|3.041120|0.083312|2.538216|0.063445|2.581534|0.065568|4.347524|0.091775|0.087109|2.422763|2.036553|3.409651|2.572156|2.369258|3.818690|3.383840|2.869978|5.301794|2.229313|2.299919|2.009374|1.796313|1.620323|1.601561|1.751518|1.975122|2.986427|1.791154|2.591570|1.344047|0.500000| |17.546768|8.839401|5.831999|4.262473|3.930633|4.571728|6.684274|8.503049|4.357077|6.480375|3.804183|3.251184|0.090984|2.615799|0.065971|2.536839|0.063796|4.142399|0.084162|0.081838|2.361971|2.013349|3.409356|2.530545|2.459012|3.892181|3.646511|3.199303|6.241221|2.421577|2.472493|2.165071|1.897485|1.714376|1.718702|1.916350|2.176478|3.300616|2.023466|2.774482|1.421230|0.300998|0.500000| |17.612711|8.876928|7.193608|4.722723|3.933162|4.160593|5.580769|6.327963|3.529199|5.324734|3.308653|2.800627|0.075666|2.352282|0.058997|2.323112|0.059966|3.807964|0.077492|0.078207|2.134939|1.837500|3.139479|2.308721|2.281909|3.700856|3.350380|2.807981|5.352360|2.281854|2.421096|2.148848|1.901561|1.725413|1.726534|1.911169|2.153471|3.286986|1.995427|2.794446|1.436390|0.302678|0.302503|0.500000| |6.953965|8.952206|17.724050|8.964215|5.651581|4.997078|5.728950|5.630700|3.402827|5.020321|3.597616|3.035322|0.077738|2.595185|0.063615|2.538883|0.067016|4.207431|0.082347|0.091090|2.224309|1.920655|3.348622|2.362248|2.652316|4.352196|3.953540|3.196251|6.001974|2.754609|3.120288|2.723867|2.375813|2.113421|2.092432|2.326148|2.682767|3.904548|2.334626|3.320822|1.694267|0.152172|0.151116|0.221034|0.500000| |4.070396|5.600707|8.926749|17.745132|8.921823|5.684143|4.999708|4.984336|3.348543|4.947782|4.009575|3.454433|0.083358|3.082832|0.073545|2.981235|0.081242|4.909301|0.091109|0.113698|2.467307|2.143503|3.830245|2.569367|3.395831|5.700259|5.085159|3.810666|6.767751|3.630354|4.554702|3.753183|3.228131|2.730091|2.603289|2.864131|3.445254|4.557702|2.617201|3.987340|2.029177|0.099302|0.098952|0.112784|0.217090|0.500000| |3.511769|4.865569|5.637589|8.914561|17.710439|8.844181|5.619977|5.843054|4.402912|6.346029|6.434725|5.432737|0.117304|4.971265|0.108813|4.698274|0.127978|8.063379|0.132815|0.204157|3.472808|2.919665|5.289695|3.333774|5.861969|9.416198|8.431602|5.916122|9.017139|5.213909|6.114612|4.235226|3.616118|2.884939|2.641956|2.862186|3.559025|4.418660|2.494835|3.971399|2.038386|0.089518|0.089660|0.089736|0.124425|0.215282|0.500000| |6.664177|6.705613|4.549430|3.925405|4.246355|5.883451|8.878291|26.005179|9.290111|12.925648|5.792854|4.433323|0.128971|3.430000|0.085247|3.476221|0.083009|5.989586|0.128405|0.109256|3.348962|2.678578|4.357445|3.349075|2.951855|4.564321|4.162022|3.761393|6.769038|2.576852|2.507273|2.125281|1.886612|1.678491|1.644848|1.800351|2.058979|3.037554|1.817057|2.639562|1.368222|0.199431|0.194358|0.134412|0.106834|0.089382|0.098260|0.500000| |2.534352|2.867585|2.581070|2.715292|3.316506|4.041282|3.616122|5.754775|6.017085|13.652123|5.902198|6.100747|0.179201|6.818522|0.189205|8.770074|0.172893|9.317273|0.195582|0.141818|17.583257|8.849595|11.062964|9.496028|4.444507|6.847987|5.139811|4.133006|6.182665|2.932646|2.585298|2.161885|1.997970|1.751125|1.654294|1.745675|1.985631|2.863433|1.643337|2.640992|1.398628|0.071305|0.070397|0.061946|0.062674|0.067237|0.091840|0.104805|0.500000| |2.367805|2.687200|2.483003|2.650690|3.211704|3.727876|3.290224|4.956396|4.786974|9.808653|4.978386|4.584193|0.121665|5.455760|0.142027|8.837006|0.210578|9.636101|0.228668|0.157756|17.523258|8.920378|10.968539|9.766644|4.052763|6.765205|4.523382|3.416800|5.155487|2.672122|2.446129|2.061255|1.944737|1.705199|1.591861|1.654820|1.867639|2.700285|1.530857|2.547711|1.363443|0.067567|0.064025|0.058716|0.060759|0.066635|0.090849|0.091195|0.303529|0.500000| |1.901744|2.069797|1.918749|2.004590|2.321236|2.617054|2.427206|3.691536|3.331601|7.011528|3.268306|3.370654|0.097043|3.892352|0.116871|4.671749|0.119485|5.157677|0.111262|0.091349|7.337633|9.242605|10.782492|26.086211|3.071026|5.198091|3.593614|2.706014|4.247492|2.222836|1.996804|1.745868|1.665752|1.494315|1.409677|1.457928|1.613369|2.410916|1.368246|2.289018|1.232816|0.054071|0.052717|0.047884|0.048179|0.051408|0.065481|0.071200|0.198434|0.206488|0.500000| |1.706019|1.864419|1.763176|1.866147|2.153277|2.356747|2.153377|3.174506|2.790762|5.566345|2.873146|3.104848|0.087955|3.755575|0.118604|4.221076|0.114421|4.469871|0.091616|0.081952|5.700266|9.452068|13.617128|26.014371|3.103555|5.408464|3.585204|2.603863|4.073397|2.259293|2.001298|1.769509|1.709481|1.538440|1.442990|1.478834|1.626715|2.436754|1.370959|2.346577|1.271129|0.047869|0.047362|0.043454|0.044560|0.048540|0.061979|0.060878|0.144436|0.146811|0.309621|0.500000| |2.408855|2.851468|2.971287|3.431537|3.953240|3.720154|3.143157|3.906006|3.015557|4.801848|3.723069|4.699273|0.115742|4.450236|0.117185|3.371525|0.089628|4.437485|0.077568|0.090775|2.778550|2.637243|5.095830|3.067882|5.799634|8.765545|12.597213|7.268316|12.936938|17.644246|8.809209|6.903602|5.018971|3.974315|3.826657|4.518486|6.236318|6.697594|3.800945|5.472082|2.650167|0.060931|0.067840|0.062974|0.074175|0.092393|0.120605|0.070541|0.076688|0.068318|0.058618|0.059474|0.500000| |2.153322|2.548158|2.677320|3.165246|3.730693|3.436582|2.829465|3.545390|2.815072|4.571779|3.547001|4.366488|0.104238|4.793888|0.126805|3.686247|0.103435|4.600692|0.079657|0.096452|2.956180|2.889850|5.825208|3.295671|7.312647|12.756475|12.580019|5.768482|8.808471|17.643280|8.824950|6.887970|5.915578|4.365599|3.808134|4.040365|5.159345|5.812446|3.096568|5.422153|2.738413|0.055628|0.059495|0.056431|0.067018|0.086983|0.121554|0.064075|0.078381|0.072595|0.061770|0.064377|0.301720|0.500000| |2.480806|3.063163|3.466248|4.529949|5.310826|4.178059|3.299124|3.847656|2.941348|4.595308|3.822914|4.061386|0.093414|4.168538|0.100381|3.596423|0.103457|5.014530|0.086516|0.114181|2.799572|2.587615|4.979985|2.979831|5.955154|10.987317|9.441427|5.104827|8.062013|8.889689|17.551081|8.904358|7.207379|4.731526|3.966622|4.197470|5.630821|5.882145|3.111423|5.521475|2.786287|0.063425|0.066230|0.065875|0.086061|0.133051|0.196685|0.068685|0.073460|0.071691|0.057128|0.057278|0.173798|0.213518|0.500000| |2.909189|3.659218|4.218525|5.491463|6.089842|4.758104|3.852739|4.341210|3.185509|4.844679|4.068412|4.343037|0.101724|3.948663|0.095570|3.313215|0.089916|4.827729|0.084203|0.105646|2.653773|2.405447|4.506681|2.812106|5.065232|8.142543|9.486187|6.087199|10.908995|8.883576|17.552960|8.886725|5.716371|4.228824|3.971579|4.719226|7.083768|6.778877|3.815876|5.555674|2.685931|0.071929|0.078676|0.077325|0.103672|0.156849|0.195273|0.077130|0.072233|0.067733|0.054689|0.053799|0.211938|0.173909|0.301638|0.500000| |1.904382|2.222380|2.466543|2.962391|3.181668|2.721175|2.321714|2.828303|2.151690|3.498886|2.594860|2.779219|0.068131|2.945732|0.076367|2.635280|0.077358|3.512634|0.063527|0.077614|2.193907|2.133766|4.169603|2.530585|3.849597|7.637334|5.602662|3.278398|5.458922|5.426392|6.976152|8.941579|17.704534|8.916526|5.647998|4.944322|5.647178|6.523320|3.136770|7.456563|3.917097|0.049394|0.051371|0.051576|0.064345|0.088801|0.104401|0.052226|0.057559|0.056963|0.048332|0.049887|0.126870|0.167043|0.216744|0.144668|0.500000| |1.611102|1.817537|1.998782|2.285701|2.345997|2.075695|1.853743|2.295887|1.719166|2.836546|1.982185|2.109076|0.053663|2.181640|0.058217|1.983097|0.057269|2.653109|0.049311|0.057355|1.726331|1.701646|3.282915|2.075649|2.638238|5.012278|3.854462|2.435794|4.240335|3.536850|4.096983|5.658743|8.926674|17.765163|8.952214|5.630665|4.971641|7.599785|3.329333|12.564541|7.493237|0.041883|0.043856|0.044289|0.053687|0.068513|0.072479|0.043289|0.046000|0.045278|0.039980|0.041405|0.093096|0.105541|0.112744|0.097641|0.217179|0.500000| |2.397453|2.773593|3.076469|3.486981|3.506135|3.095290|2.793985|3.339103|2.411030|3.815686|2.806702|3.075698|0.078405|2.831651|0.073635|2.409625|0.065280|3.379300|0.061570|0.071212|2.061762|1.938492|3.634952|2.337797|3.362019|5.575417|5.861814|4.057165|8.094785|5.781568|7.050081|8.899400|5.675726|4.969516|5.627819|8.969425|17.739989|12.623962|7.531643|7.604586|3.329937|0.059376|0.066991|0.065498|0.081235|0.100835|0.102100|0.062017|0.057112|0.052924|0.045634|0.045561|0.185508|0.133830|0.143182|0.212082|0.124314|0.107872|0.500000| |1.845618|1.986081|2.134965|2.237702|2.169795|2.019098|1.941179|2.420429|1.725466|2.822162|1.880026|2.008607|0.053812|1.879136|0.050587|1.670049|0.045365|2.321663|0.043886|0.048205|1.504568|1.443777|2.675430|1.799911|2.081360|3.540219|3.295562|2.389431|4.704661|2.841168|3.044642|3.610750|3.190798|3.418894|4.413484|5.895928|4.911296|17.027754|17.655444|7.796397|3.352604|0.046470|0.052397|0.051769|0.059242|0.064497|0.060975|0.046771|0.042090|0.039284|0.035496|0.035572|0.088010|0.073774|0.073539|0.087370|0.075148|0.082122|0.146863|0.500000| |2.182268|2.398326|2.645304|2.808718|2.671244|2.425732|2.316654|2.813651|1.983819|3.186883|2.195253|2.321791|0.061230|2.134426|0.056379|1.888074|0.051137|2.671267|0.050084|0.055925|1.672380|1.580198|2.920186|1.950409|2.393646|4.031591|3.883368|2.831183|5.670468|3.389469|3.845763|4.564317|3.745502|3.792609|4.740808|7.035350|6.724980|16.441856|17.552249|7.519030|3.237586|0.054074|0.061509|0.061409|0.073450|0.081965|0.074716|0.053792|0.046730|0.043634|0.038493|0.038230|0.104524|0.084578|0.090383|0.115832|0.086688|0.088069|0.226448|0.299992|0.500000| |2.034695|2.233376|2.383006|2.536171|2.521215|2.354218|2.227150|2.772177|1.993429|3.238252|2.206976|2.424312|0.064721|2.244766|0.060449|1.941899|0.052347|2.682146|0.050043|0.055381|1.729149|1.655672|3.085951|2.042150|2.521434|4.210858|4.147898|3.004205|6.057865|3.709375|3.857776|4.569574|3.751039|3.799439|4.751394|7.051325|6.732262|16.442046|17.553296|7.532758|3.243049|0.050919|0.058123|0.056112|0.064560|0.071960|0.071276|0.052921|0.048498|0.044599|0.040072|0.040229|0.121805|0.093919|0.088713|0.110641|0.086786|0.088201|0.225701|0.299963|0.298765|0.500000| |1.355970|1.477271|1.599707|1.743087|1.736750|1.587250|1.476649|1.858955|1.369205|2.284451|1.516995|1.602308|0.042080|1.611583|0.043734|1.480066|0.041881|1.998345|0.037939|0.042349|1.334578|1.319190|2.497746|1.649561|1.835442|3.351270|2.695900|1.815844|3.277584|2.334225|2.540995|3.179566|3.614859|4.910272|5.898699|4.411245|3.416332|7.788573|3.351642|17.017907|17.656805|0.035301|0.037366|0.037775|0.044010|0.051550|0.051216|0.035766|0.036220|0.035266|0.032151|0.033109|0.065680|0.066732|0.067309|0.066060|0.089111|0.146340|0.082143|0.091142|0.084379|0.084507|0.500000| |1.400910|1.543659|1.667619|1.844166|1.873621|1.708036|1.564624|1.971845|1.469431|2.453745|1.649287|1.762883|0.045950|1.803440|0.049088|1.643892|0.046876|2.190135|0.041266|0.046511|1.470279|1.464314|2.805650|1.817396|2.094559|3.883782|3.059298|2.008191|3.568314|2.706416|2.917245|3.735600|4.572319|6.731704|7.056086|4.750217|3.796071|7.527009|3.242688|16.438175|17.559013|0.036538|0.038551|0.038678|0.045285|0.054342|0.056163|0.037674|0.039625|0.038638|0.035163|0.036554|0.075092|0.079796|0.077756|0.073173|0.113230|0.224926|0.088166|0.084522|0.081740|0.085127|0.299938|0.500000| 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