Version2.1 2021-01-13T04:14:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C[C@H](COc1ccccc1C[NH2+]Cc2ccc3c(c2)cccn3)O)C4CCCCC4 C11932893 RHF 6-31G(d) (6D,7F) C[NH+](C[C@H](COc1ccccc1C[NH2+]Cc2ccc3c(c2)cccn3)O)C4CCCCC4 C01[X(C27H37N3O2)] 201 C1 554 O[C@H](C[NH+](C1CCCCC1)C)COc1ccccc1C[NH2+]Cc1ccc2c(c1)cccn2 O[C@H](C[NH+](C1CCCCC1)C)COc1ccccc1C[NH2+]Cc1ccc2c(c1)cccn2 C[NH+](C[C@@H](O)COc1ccccc1C[NH2+]Cc2ccc3ncccc3c2)C4CCCCC4 InChIKey=LCFMTAOQXYJSFX-RUZDIDTESA-P InChI=1S/C27H35N3O2/c1-30(24-10-3-2-4-11-24)19-25(31)20-32-27-12-6-5-8-23(27)18-28-17-21-13-14-26-22(16-21)9-7-15-29-26/h5-9,12-16,24-25,28,31H,2-4,10-11,17-20H2,1H3/p+2/t25-/m1/s1 InChI=1/C27H35N3O2/c1-30(24-10-3-2-4-11-24)19-25(31)20-32-27-12-6-5-8-23(27)18-28-17-21-13-14-26-22(16-21)9-7-15-29-26/h5-9,12-16,24-25,28,31H,2-4,10-11,17-20H2,1H3/p+2/t25-/m1/s1/fC27H37N3O2/h28,30H/q+2 C[NH+](C[C@H](COc1ccccc1C[NH2+]Cc2ccc3c(c2)cccn3)O)C4CCCCC4 C01[X(C27H37N3O2)] 201 C01 554 O[C@H](C[NH+](C1CCCCC1)C)COc1ccccc1C[NH2+]Cc1ccc2c(c1)cccn2 O[C@H](C[NH](C1CCCCC1)C)CO[C]1[CH][CH][CH][CH][C]1C[NH2]C[C]1[CH]=[CH][C]2[C]([CH]=1)[CH]=[CH][CH][N]2 C[NH](C[C@@H](O)CO[C]1[CH][CH][CH][CH][C]1C[NH2]CC2=C[C]3C=C[CH][N][C]3C=C2)C4CCCCC4 InChIKey=DIQTWHZRVBSQCA-RUZDIDTESA-N InChI=1S/C27H37N3O2/c1-30(24-10-3-2-4-11-24)19-25(31)20-32-27-12-6-5-8-23(27)18-28-17-21-13-14-26-22(16-21)9-7-15-29-26/h5-9,12-16,24-25,30-31H,2-4,10-11,17-20,28H2,1H3/t25-/m1/s1 InChI=1/C27H37N3O2/c1-30(24-10-3-2-4-11-24)19-25(31)20-32-27-12-6-5-8-23(27)18-28-17-21-13-14-26-22(16-21)9-7-15-29-26/h5-9,12-16,24-25,30-31H,2-4,10-11,17-20,28H2,1H3/t25-/m1/s1 3104.2487133566 -1356.5966943 1-A 21807.1067 117 437 554 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2.1652 1.3875 2.0657 1.9196 1.8181 1.7669 1.8837 2.6336 1.2466 1.1864 1.4132 2.2124 1.9812 2.5987 1.3885 1.3415 1.4671 1.8946 1.3575 2.9936 1.6586 1.2393 1.2103 1.2059 1.4068 1.2801 1.3750 1.2241 1.5044 1.2617 2.0304 1.2441 4.3672 1.3658 1.4374 1.4457 1.3385 1.2429 1.4178 1.5400 1.3295 1.3795 1.2553 1.2551 1.2773 2.1404 1.1988 1.3683 1.2581 1.9253 1.0921 2.0186 1.0888 1.0789 1.3571 1.1138 1.0972 1.1253 1.0752 1.1162 1.3342 1.2358 3.1905 1.3922 6.7653 5.7704 5.8195 5.3613 1.1386 4.6750 1.0705 1.0717 1.0750 1.0627 1.0685 1.0647 1.0917 1.0984 1.0917 1.0441 1.0953 1.0609 1.0947 1.0999 1.0728 1.0607 1.0896 1.0840 1.1065 1.0955 1.1107 1.1052 1.0933 1.1100 1.0910 1.0921 1.0933 1.0909 1.1073 1.0980 1.0943 1.0958 1.0977 1.0561 1.0776 1.0964 1.0672 0.0001 0.0004 0.0006 0.0011 0.0033 0.0037 0.0049 0.0090 0.0138 0.0183 0.0288 0.0247 0.0272 0.0364 0.0628 0.0849 0.0727 0.0939 0.1181 0.0739 0.0791 0.1481 0.1140 0.1359 0.1220 0.1238 0.2430 0.1993 0.2005 0.3085 0.1241 0.2230 0.4371 0.4291 0.3741 0.4182 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6.8162 6.7536 6.9509 6.9415 7.2557 7.2018 7.3315 7.3062 7.2340 7.4145 7.2998 7.3161 7.3634 7.3945 7.5441 7.5135 7.4914 7.5159 7.5443 8.3569 8.6201 8.9842 10.4054 0.8540 1.7425 0.3778 0.6459 0.6088 1.3541 1.2456 3.1923 1.0996 1.3330 0.7220 0.1432 12.5301 5.6571 4.5660 9.1217 0.2966 2.8288 2.7383 1.7417 1.3965 10.1677 1.0450 3.7239 0.8204 4.9015 0.9954 2.3199 9.9211 18.9549 174.6714 5.1216 6.6736 10.2083 6.8069 4.0825 4.1025 8.6952 3.9015 3.5844 5.6886 4.8054 8.3275 2.3200 2.3788 1.1762 4.3164 4.2767 5.7518 7.8141 11.1424 4.7507 2.2511 2.5111 0.0674 7.4344 12.4190 14.8227 23.0214 65.0286 0.0842 5.2783 16.1315 10.5936 6.5157 53.4576 6.9571 2.0980 3.3207 2.2495 43.0537 31.8958 14.4304 5.9484 38.9199 13.7120 94.3183 13.3535 24.0432 69.3783 8.4254 2.3988 0.4774 21.0259 1.2808 7.0960 0.5404 0.3523 1.0214 6.6871 7.3836 40.6707 7.7951 9.6270 6.3324 1.6221 4.8378 8.3674 1.9413 38.8369 7.7247 71.1144 12.5243 15.6753 2.7239 13.4508 15.4257 25.7109 1.4505 20.7201 8.2003 0.3938 66.9337 199.1292 7.4680 3.8855 4.8376 1.5071 49.7263 8.5262 12.8662 16.3117 4.7257 1.0777 40.1181 1.7460 5.0994 0.1621 4.8089 1.6972 15.3516 9.2645 27.5051 1.7778 11.7986 40.2158 29.4732 53.9163 445.2111 13.6686 23.2463 10.5040 31.4436 34.5164 0.3790 15.9002 6.5221 36.3959 7.6923 5.7663 18.7381 14.2592 17.0068 4.1546 59.9606 30.3584 21.9504 23.4203 14.5301 24.2533 59.7681 13.1820 43.7643 38.5443 14.5180 20.5954 11.1586 20.8926 4.6948 50.7926 31.2097 15.6727 12.8237 5.7655 19.7591 4.9422 23.8469 28.5880 6.3275 7.7886 24.5537 22.5909 1.2217 13.7982 3.0011 3.9171 11.9569 6.2470 7.5326 4.9413 16.1772 1.9086 1.3621 8.2069 7.1440 0.6918 2.2870 39.5240 60.7979 79.2859 67.2185 1.5458 0.5479 5.0998 2.4292 7.0554 4.1401 1.0560 2.2353 0.9125 0.5037 0.9290 0.0849 0.5601 0.8739 1.1975 3.2949 2.5087 0.1233 1.2557 1.5381 1.2816 1.0042 1.1303 0.4241 0.8676 0.6194 1.9778 0.7911 1.8473 1.4848 1.3582 1.2847 0.4702 5.9914 0.6531 1.6655 1.6393 1.3748 0.7153 1.5494 0.6072 0.4688 0.8867 3.5352 5.0327 1.3063 2.4774 0.7664 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36.1961 30.1126 58.6453 44.7569 75.2661 67.2370 131.9579 72.6646 40.0762 218.8239 68.6298 96.3807 220.8984 23.9728 17.6955 12.2090 37.6277 0.7466 0.7471 0.7473 0.7491 0.7322 0.7444 0.7492 0.7492 0.7488 0.7343 0.7182 0.6814 0.7409 0.6925 0.6587 0.5924 0.2669 0.3606 0.3030 0.0576 0.0285 0.3210 0.7071 0.7220 0.2271 0.0867 0.7366 0.2063 0.3213 0.7333 0.7499 0.3196 0.6525 0.7421 0.1708 0.6277 0.1513 0.7439 0.5467 0.2122 0.4520 0.6067 0.7165 0.4180 0.6227 0.5313 0.2272 0.3764 0.5444 0.4098 0.7479 0.3125 0.6764 0.0675 0.0777 0.1528 0.6409 0.4282 0.7494 0.5315 0.7481 0.0444 0.3694 0.5746 0.7486 0.2100 0.0773 0.2182 0.6494 0.1991 0.5146 0.1391 0.5090 0.3698 0.2771 0.3366 0.7204 0.7123 0.2351 0.7463 0.7251 0.2351 0.3430 0.2903 0.2994 0.6836 0.6845 0.1181 0.3557 0.5666 0.1045 0.2236 0.6459 0.3601 0.6608 0.7347 0.6285 0.3323 0.0976 0.1994 0.4275 0.7416 0.7483 0.6269 0.5725 0.0975 0.4753 0.2524 0.7486 0.4020 0.4287 0.5435 0.2836 0.1613 0.1267 0.7004 0.7292 0.7469 0.4404 0.7416 0.3788 0.7417 0.4039 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15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 7 1 6 6 1 6 8 6 6 6 6 6 6 6 7 1 1 6 6 6 6 6 6 6 6 6 6 7 8 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 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 15195.7582 26087.6258 37089.2839 0.99945 0.03328 0.00043 -0.03328 0.99945 0.00069 -0.00041 -0.00070 1.00000 1 0.00570 0.00332 0.00234 0.11877 0.06918 0.04866 8.37 17.69 21.53 29.96 49.52 52.61 66.54 88.26 99.39 127.41 140.63 176.57 201.14 209.32 237.09 247.04 278.33 285.55 316.35 330.70 359.66 366.28 392.10 424.25 438.39 465.85 477.88 503.50 548.45 590.26 597.73 614.60 644.04 644.81 666.05 679.21 696.41 713.46 739.31 751.81 763.93 784.24 807.71 830.94 835.48 850.18 873.92 888.58 938.91 963.58 974.85 1036.68 1143.47 1173.40 1213.53 1225.24 1234.16 1237.44 1240.16 1245.28 1247.81 1292.37 1292.86 1314.55 1354.27 1359.61 1377.06 1385.12 1403.35 1408.22 1422.21 1437.05 1440.01 1456.29 1459.69 1479.72 1483.38 1501.96 1548.25 1559.87 1575.96 1581.45 1587.58 1598.05 1607.71 1608.48 1635.53 1638.40 1643.44 1651.09 1656.92 1684.02 1692.42 1695.84 1718.78 1726.02 1742.08 1768.10 1776.06 1794.30 1812.25 1817.44 1834.23 1846.66 1863.01 1874.70 1884.90 1893.46 1928.32 1940.26 1941.85 1976.29 1983.38 1999.46 2010.21 2026.13 2029.23 2044.98 2056.17 2068.75 2098.47 2107.42 2116.41 2124.49 2130.99 2144.55 2152.42 2166.55 2188.15 2189.52 2198.11 2203.13 2203.60 2215.42 2233.28 2234.31 2253.31 2262.20 2272.65 2292.34 2299.87 2310.71 2330.60 2337.70 2345.77 2348.95 2352.85 2353.99 2356.60 2358.29 2366.41 2370.56 2379.48 2391.38 2396.02 2408.25 2409.20 2414.60 2563.09 2576.37 2601.47 2615.13 2636.71 2643.07 4586.30 4597.59 4610.51 4611.68 4621.08 4629.24 4682.83 4700.04 4702.09 4708.03 4709.01 4710.26 4713.83 4717.90 4724.83 4729.83 4734.40 4743.32 4799.82 4806.01 4815.73 4819.38 4821.47 4844.51 4848.56 4851.43 4864.41 4880.16 4892.58 4903.38 4904.30 4909.07 4914.04 5272.86 5301.56 5365.69 5852.96 0.658463 0.686515 0.687460 0.593639 -1355.938231 -1355.910179 -1355.909235 -1356.003055 3.146738D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE C[NH+](C[C@H](COc1ccccc1C[NH2+]Cc2ccc3c(c2)cccn3)O)C4CCCCC4 C11932893 RHF 6-31G(d) (6D,10F) C1 435.288578 |X|Y|Z| 115.067994 84.881419 36.898913 71.163983 30 6 7 8 26 3 1 |36.858105| |12.720034|53.358707| |9.445760|25.686984|0.500000| |7.720823|17.175893|0.259429|36.858105| |5.370907|10.339440|0.221296|12.416058|36.858105| |4.630756|9.229038|0.208781|8.849600|17.621038|0.500000| |4.043119|6.738925|0.136263|7.584428|12.518517|0.249067|36.858105| |3.285088|5.326019|0.113594|5.118893|8.067913|0.207654|13.593160|73.516695| |2.706645|4.221574|0.088159|3.903886|5.212086|0.138858|7.971563|24.739920|36.858105| |2.562392|3.890288|0.078841|3.627414|4.399385|0.113372|6.713728|13.951121|13.797377|36.858105| |2.161282|3.221812|0.065391|2.875937|3.338890|0.088571|4.510802|9.214297|7.960139|13.698779|36.858105| |1.961491|2.928184|0.060333|2.536767|2.975211|0.081258|3.786993|8.171801|6.857616|7.903206|13.801989|36.858105| |2.026993|3.066740|0.064323|2.630679|3.199819|0.089453|3.986111|9.373265|7.946400|6.879356|7.986433|13.741542|36.858105| |2.342926|3.620562|0.076908|3.161831|4.086723|0.115119|5.252216|14.479022|13.634380|7.897024|6.866977|7.890349|13.740411|36.858105| |2.337863|3.648914|0.079752|3.062662|4.029482|0.119244|4.607374|12.299998|7.557124|5.024938|4.453723|5.025927|7.594213|12.672560|36.858105| |2.438361|3.726342|0.083121|3.054700|4.044081|0.115093|4.397594|11.208488|6.057065|4.321109|3.787981|4.083818|5.471054|7.677312|12.643830|53.358707| |2.786332|4.288619|0.096871|3.560048|4.954075|0.137203|5.316768|13.995956|6.541430|4.569670|3.788675|3.855484|4.854452|6.989277|9.235740|25.664470|0.500000| |2.284477|3.411433|0.075023|2.801386|3.585780|0.098839|4.013270|9.803457|5.767665|4.355825|3.956766|4.351949|5.780778|7.357981|9.214184|25.680012|0.329111|0.500000| |2.268028|3.437562|0.077842|2.689831|3.417589|0.099700|3.448614|7.867079|4.139769|3.227652|2.929157|3.161866|4.013029|4.936351|7.455571|17.140983|0.254731|0.255575|36.858105| |2.252359|3.311510|0.075308|2.534773|3.129150|0.088160|3.092797|6.655026|3.464218|2.838700|2.588638|2.730646|3.279866|3.853617|4.939815|10.474074|0.197507|0.201617|12.678944|36.858105| |2.018598|2.905378|0.064751|2.238188|2.684904|0.074132|2.735994|5.782992|3.160087|2.688301|2.524646|2.694914|3.176536|3.533917|4.205686|8.215872|0.151564|0.187710|7.546580|13.388827|36.858105| |1.944762|2.738617|0.060830|2.077720|2.426477|0.066157|2.439825|4.955412|2.688638|2.362397|2.227156|2.333430|2.650239|2.893366|3.276349|5.917884|0.116690|0.132285|5.046131|7.889743|14.045631|36.858105| |2.054630|2.861451|0.064240|2.121124|2.448720|0.066655|2.383585|4.712741|2.480436|2.188295|2.032707|2.088022|2.340711|2.591869|2.927676|5.162488|0.106859|0.109026|4.428948|6.805918|7.907328|13.413174|36.858105| |2.294446|3.234803|0.074200|2.359579|2.759977|0.075995|2.598787|5.130891|2.611846|2.261263|2.061406|2.100886|2.376884|2.703711|3.136843|5.587470|0.119249|0.111270|5.010300|7.885334|6.819665|7.814879|13.560055|36.858105| |2.423060|3.531763|0.081950|2.615682|3.182491|0.089553|2.990242|6.133329|3.068932|2.563196|2.308208|2.372634|2.761726|3.241548|3.980481|7.546861|0.160483|0.141108|7.639054|13.979914|7.904182|6.825176|7.826293|13.443887|36.858105| |2.348539|3.251943|0.074987|2.299349|2.610380|0.071831|2.392945|4.561777|2.300321|2.025987|1.843970|1.855819|2.062801|2.330507|2.646115|4.455452|0.096600|0.087683|3.817649|5.104831|4.522635|5.121699|7.886357|13.413886|7.631249|36.858105| |2.141846|2.900840|0.065655|2.049463|2.268901|0.061829|2.108737|3.960835|2.032615|1.828270|1.683113|1.690075|1.849984|2.050027|2.270211|3.725900|0.079925|0.075075|3.085428|3.964441|3.828176|4.594951|6.988639|7.970209|5.136576|14.067790|36.858105| |1.947637|2.632134|0.058678|1.896982|2.100406|0.056860|2.004265|3.793767|1.987772|1.804759|1.681933|1.698986|1.851334|2.020918|2.211505|3.639055|0.076820|0.075422|2.974765|3.869765|4.072585|5.357042|8.391937|6.996164|4.604584|7.980261|13.403971|36.858105| |1.912994|2.614599|0.058100|1.920620|2.160016|0.058428|2.101437|4.054875|2.151348|1.943127|1.821079|1.857407|2.039381|2.217906|2.436314|4.099565|0.085253|0.086917|3.370536|4.590161|5.262949|8.013820|14.091265|7.875298|5.160559|6.819101|7.952175|14.742957|53.358707| |5.505844|9.328913|0.233415|7.909565|13.580480|0.266821|7.809466|11.971244|4.576584|3.817942|3.008520|2.756414|3.011864|3.819917|3.959429|5.955178|0.156529|0.107697|3.802456|3.655320|3.066997|2.798364|2.894635|3.355691|3.878353|3.183963|2.707719|2.464743|3.433050|73.516695| |7.495582|16.860864|0.255138|7.488612|5.339512|0.151976|3.926032|5.796994|2.697252|2.512772|2.134857|1.962924|2.049872|2.374503|2.408363|3.260227|0.074294|0.060883|2.253051|2.143888|1.890370|1.781222|1.853836|2.084384|2.272250|2.107335|1.895300|1.722342|2.321284|8.282157|36.858105| |6.511958|10.218970|0.190530|4.894461|3.937027|0.111764|3.058343|4.738313|2.260660|2.112893|1.836234|1.712863|1.790940|2.042946|2.100656|2.890255|0.065091|0.054377|2.051710|1.990683|1.764707|1.686704|1.780373|2.007302|2.146132|2.078901|1.889231|1.699336|2.256694|6.723982|12.431071|36.858105| |4.334341|6.653435|0.127294|3.758774|3.174219|0.092521|2.600218|4.122732|2.018549|1.901779|1.681161|1.580895|1.647743|1.852526|1.905743|2.580458|0.057047|0.048688|1.847394|1.777970|1.587635|1.516121|1.589503|1.776092|1.897122|1.834020|1.679733|1.521633|2.023837|5.320944|7.544415|12.397427|36.858105| |3.609333|5.915116|0.118281|3.569283|3.182051|0.097175|2.623845|4.248883|2.085542|1.941656|1.721838|1.634758|1.719534|1.937554|2.017850|2.689246|0.058923|0.050239|1.938270|1.832737|1.622741|1.533003|1.596298|1.790538|1.942442|1.830871|1.660638|1.505431|2.015180|5.239200|6.418818|7.491859|12.476501|36.858105| |3.762180|6.681575|0.130204|4.287769|3.802847|0.120389|3.114838|4.964742|2.413970|2.238626|1.960844|1.847824|1.944756|2.213570|2.286107|2.980567|0.065523|0.055253|2.106037|1.951153|1.719621|1.603763|1.649637|1.845898|2.035775|1.851683|1.666051|1.522417|2.062083|5.891390|7.527840|6.442901|7.588552|12.473231|36.858105| |4.934784|10.343299|0.201395|6.296028|5.410505|0.177320|4.023374|6.184748|2.870527|2.611714|2.223216|2.071948|2.197073|2.567668|2.654251|3.497115|0.078808|0.064135|2.430084|2.246878|1.953953|1.811655|1.867691|2.111924|2.356793|2.106474|1.870867|1.701280|2.311496|8.023119|12.430818|7.542557|6.474624|7.524650|12.407250|36.858105| |17.641943|12.277313|0.182002|6.864246|4.618786|0.111990|3.733347|5.350071|2.546713|2.472776|2.103999|1.894375|1.929617|2.198311|2.158056|3.016238|0.069374|0.058201|2.050952|2.025724|1.840614|1.775990|1.858527|2.043061|2.147359|2.079724|1.921111|1.769415|2.373414|7.890257|6.917576|6.006938|4.277141|3.481703|3.642875|4.539247|0.500000| |17.664606|12.334019|0.223907|7.341245|5.628890|0.127470|4.343702|6.257655|2.880453|2.727270|2.282016|2.060506|2.127662|2.470273|2.448770|3.546114|0.083858|0.068390|2.396459|2.414055|2.174383|2.105350|2.228962|2.479724|2.599653|2.524267|2.303899|2.104565|2.822646|11.152113|5.514051|4.836209|3.503834|3.052642|3.209590|4.136968|0.298954|0.500000| |17.714060|12.234943|0.228648|5.611123|4.408751|0.111432|3.396901|5.141867|2.418214|2.274938|1.951771|1.797652|1.868498|2.143379|2.174437|3.112078|0.071865|0.059495|2.176758|2.187148|1.958180|1.904475|2.039716|2.294519|2.392269|2.401568|2.201615|1.976081|2.605470|8.414148|6.791129|7.322582|4.661507|3.735366|3.667574|4.609433|0.299027|0.301494|0.500000| |8.003823|12.335517|0.194935|17.628705|8.804004|0.173688|7.035306|8.415662|3.760188|3.645670|2.896335|2.511548|2.552521|3.014062|2.850157|3.926436|0.093152|0.075249|2.522850|2.423334|2.183092|2.050383|2.090707|2.290461|2.490820|2.233538|2.018812|1.887231|2.602256|12.234898|5.817478|4.250230|3.324235|3.074286|3.541036|4.737327|0.213490|0.238503|0.154021|0.500000| |6.015103|12.240151|0.189834|17.666761|8.758386|0.214746|6.757702|8.352656|3.762823|3.588543|2.878344|2.526285|2.588924|3.062497|2.926092|3.836027|0.088830|0.071966|2.487883|2.309399|2.055652|1.902228|1.924438|2.120805|2.351507|2.062033|1.850976|1.724645|2.381819|10.143113|7.616583|4.758845|3.876817|3.762930|4.790235|6.891654|0.165531|0.151153|0.130042|0.303595|0.500000| |4.083176|6.279030|0.124383|6.831516|8.840761|0.174612|17.523733|16.514136|6.918772|6.692458|4.535836|3.690423|3.736718|4.676473|4.012905|5.464987|0.134070|0.106550|3.174605|2.957974|2.689809|2.442580|2.386968|2.558959|2.868011|2.362784|2.111437|2.027028|2.896006|12.489976|3.586802|2.872839|2.432010|2.396459|2.768417|3.484913|0.106306|0.127551|0.094252|0.207898|0.163576|0.500000| |3.727717|6.250258|0.121167|7.040675|8.866851|0.212792|17.569670|16.529993|7.246448|6.901078|4.691525|3.835734|3.900672|4.901843|4.177220|5.129515|0.119454|0.096495|3.035375|2.698613|2.420281|2.168803|2.111614|2.281510|2.599105|2.119434|1.888519|1.801584|2.562222|10.080323|3.900752|2.992987|2.609169|2.659819|3.238439|4.089983|0.099390|0.106907|0.087344|0.179149|0.205219|0.300752|0.500000| |2.781304|4.185131|0.082895|4.032749|4.671272|0.115341|7.422851|12.473138|8.878678|17.765762|8.948290|5.650333|4.959421|5.614536|4.084150|5.032590|0.111709|0.102675|2.873851|2.597965|2.458572|2.206860|2.080220|2.156777|2.407317|1.963561|1.783730|1.753606|2.543352|6.998522|2.673355|2.221698|1.985547|2.001048|2.312801|2.716198|0.075586|0.082596|0.067465|0.116496|0.111612|0.227638|0.224042|0.500000| |2.052652|3.014770|0.060500|2.672382|2.983220|0.078556|3.912802|7.443036|5.668023|8.943857|17.735739|8.935612|5.665201|4.950354|3.559823|4.273137|0.087837|0.091171|2.522567|2.280603|2.247315|2.021334|1.859021|1.874153|2.063829|1.695565|1.564273|1.568000|2.298017|4.788617|2.013567|1.742044|1.603658|1.631505|1.848177|2.071922|0.056221|0.060067|0.051517|0.075952|0.074994|0.112583|0.115247|0.217541|0.500000| |1.770511|2.615786|0.053768|2.227945|2.550100|0.069906|3.131450|6.491282|4.946608|5.628430|8.915433|17.750593|8.908454|5.628439|4.100241|4.696284|0.089817|0.102799|2.800303|2.460539|2.471754|2.168361|1.936335|1.928249|2.148209|1.712437|1.574504|1.592996|2.369632|4.244452|1.773240|1.565065|1.456835|1.505548|1.687980|1.865538|0.047768|0.051457|0.045400|0.061521|0.061914|0.085664|0.088627|0.124310|0.214648|0.500000| |1.856237|2.793835|0.058937|2.340886|2.806727|0.079551|3.330229|7.576717|5.647544|4.954709|5.671818|8.936810|17.709188|8.933133|7.052426|7.068315|0.122021|0.153814|4.067338|3.288545|3.235605|2.674316|2.330851|2.347261|2.726290|2.026965|1.821837|1.832766|2.762274|4.787537|1.889073|1.673184|1.551854|1.627055|1.823359|2.033003|0.049043|0.053860|0.048057|0.062856|0.064012|0.086885|0.090389|0.107624|0.124494|0.215512|0.500000| |2.072938|3.194452|0.069482|2.623175|3.298795|0.097812|3.671977|8.882789|5.587810|4.187445|3.996359|4.780793|7.320519|8.897107|17.647311|12.401151|0.181313|0.215681|7.103883|4.685542|4.141354|3.204644|2.814964|2.963928|3.707311|2.498672|2.164293|2.127635|3.206282|5.795674|2.151219|1.907565|1.755641|1.867650|2.094478|2.373166|0.053551|0.059892|0.054147|0.068254|0.070447|0.091236|0.095488|0.096077|0.090884|0.113751|0.225601|0.500000| |2.498311|4.011120|0.088546|3.356260|4.521549|0.142449|4.921619|12.852594|6.821682|4.625460|3.970413|4.250602|5.782336|8.799231|17.639406|12.443549|0.227464|0.181528|6.785980|4.569916|3.732675|2.995447|2.775015|3.063252|3.921417|2.645845|2.250164|2.149864|3.164531|7.674840|2.674133|2.306588|2.093458|2.250795|2.588419|3.037514|0.063662|0.071672|0.064554|0.084179|0.089670|0.113163|0.125229|0.108858|0.090433|0.098353|0.149022|0.301335|0.500000| |2.021183|3.045090|0.067928|2.382687|2.944083|0.086135|3.026526|6.790453|3.777795|3.026062|2.845655|3.173685|4.084894|4.712834|7.016057|12.420639|0.180810|0.219883|17.616126|8.826875|6.920214|4.683310|3.961807|4.235250|5.785007|3.318681|2.775139|2.729922|4.231104|5.626303|2.034124|1.863053|1.702843|1.795410|1.947399|2.202433|0.051407|0.058854|0.054020|0.062394|0.062280|0.077850|0.076110|0.074186|0.068322|0.079543|0.121470|0.220921|0.170091|0.500000| |2.387436|3.692986|0.084900|2.847376|3.647870|0.110588|3.526050|7.891635|3.966985|3.088426|2.762916|2.930577|3.655817|4.556939|6.886265|12.376738|0.221764|0.180826|17.638639|8.820934|5.551573|4.172657|3.942292|4.713181|7.242085|3.802314|3.025588|2.822379|4.201920|7.188004|2.443933|2.224558|2.004330|2.130867|2.322058|2.692339|0.059536|0.069152|0.063980|0.072605|0.073276|0.087832|0.086692|0.077472|0.066515|0.072146|0.101674|0.177874|0.204689|0.301102|0.500000| |1.890826|2.730468|0.060130|2.131549|2.547556|0.070488|2.666758|5.708112|3.251250|2.784426|2.679175|2.938550|3.510199|3.771995|4.431801|8.296965|0.143345|0.206151|7.000239|8.772742|17.673884|9.041845|5.626764|4.921733|5.633631|3.601867|3.162500|3.386335|5.785100|5.019267|1.791479|1.662602|1.507681|1.546580|1.649285|1.860905|0.048374|0.056316|0.050637|0.057893|0.055011|0.072837|0.066373|0.069613|0.065938|0.075470|0.101952|0.126189|0.104934|0.203121|0.140718|0.500000| |1.788963|2.498150|0.054861|1.901042|2.185663|0.059328|2.225349|4.469671|2.475466|2.223658|2.132964|2.242862|2.505327|2.660880|2.924252|5.046297|0.098875|0.115143|4.096823|5.601074|8.956685|17.748945|8.887721|5.609447|4.929995|4.180398|4.020073|4.938140|10.091257|4.401062|1.635368|1.552365|1.403979|1.415484|1.478273|1.655955|0.045817|0.053725|0.048632|0.052535|0.048694|0.062477|0.055563|0.057840|0.054311|0.058680|0.070683|0.080496|0.073846|0.110255|0.095872|0.215869|0.500000| |2.616890|3.888745|0.092258|2.825516|3.464855|0.099934|3.126988|6.333349|3.073594|2.548026|2.266821|2.309275|2.683854|3.197584|3.972258|7.130485|0.156622|0.126150|7.034277|8.967375|5.610552|4.924857|5.599360|8.851714|17.686136|6.996115|4.686429|3.977522|5.682012|7.597373|2.509499|2.375813|2.089228|2.156778|2.256893|2.636280|0.063674|0.077038|0.072279|0.073267|0.070297|0.081574|0.075518|0.066939|0.056313|0.057859|0.073073|0.101383|0.114402|0.147622|0.220620|0.123569|0.107098|0.500000| |2.518414|3.514309|0.082374|2.430308|2.748352|0.076541|2.451797|4.621979|2.293233|2.011670|1.817066|1.819333|2.022633|2.304692|2.631502|4.341382|0.095182|0.083313|3.712493|4.647136|3.915017|4.143431|5.608810|8.788851|6.939016|17.708579|8.983476|5.638097|6.701181|6.001749|2.286926|2.281532|2.002795|2.003400|2.008799|2.292556|0.061290|0.074343|0.072493|0.064746|0.060369|0.066449|0.060421|0.054408|0.046402|0.046501|0.054999|0.068619|0.074753|0.089060|0.107471|0.089252|0.096018|0.209113|0.500000| |2.109080|2.824062|0.063698|1.965803|2.135916|0.058265|1.968317|3.640554|1.866737|1.694121|1.561226|1.559777|1.693443|1.868363|2.050362|3.286669|0.070623|0.065880|2.681798|3.290355|3.155069|3.651611|5.016658|5.632079|4.130332|8.964059|17.745809|8.806206|7.760037|4.490470|1.861513|1.884817|1.680829|1.650890|1.636487|1.823687|0.052668|0.062558|0.061033|0.053844|0.049464|0.054769|0.049347|0.046240|0.040549|0.040496|0.046255|0.054356|0.056953|0.067664|0.074241|0.074630|0.091571|0.110211|0.213792|0.500000| |1.813038|2.426793|0.053583|1.745832|1.904602|0.051449|1.825731|3.420813|1.807054|1.661887|1.559616|1.571951|1.695030|1.830074|1.975676|3.183174|0.066954|0.066276|2.555982|3.194840|3.396108|4.334078|5.888482|5.015059|3.654841|5.674721|8.807944|17.709558|12.844194|3.918010|1.599457|1.587724|1.430037|1.408549|1.417685|1.571457|0.046140|0.054252|0.051250|0.048522|0.044334|0.051548|0.045970|0.045074|0.040699|0.041211|0.046652|0.053041|0.053370|0.066160|0.067656|0.081429|0.117711|0.090386|0.124006|0.213412|0.500000| |5.291381|7.934530|0.182145|6.878163|9.709257|0.190051|7.514339|11.454294|4.582318|3.939298|3.095798|2.800850|3.013401|3.766996|3.774829|5.828669|0.153769|0.109668|3.651444|3.629309|3.138329|2.905181|2.997185|3.397775|3.812512|3.201589|2.765805|2.555061|3.579209|35.637973|4.041963|3.380535|2.707904|2.622478|2.901244|3.786647|0.121146|0.181624|0.125298|0.191792|0.140925|0.219114|0.149268|0.114650|0.077474|0.067417|0.074401|0.086865|0.109338|0.084931|0.103661|0.080247|0.071835|0.111960|0.092026|0.071319|0.063599|0.500000| |6.797146|12.405524|0.181778|7.121639|4.798706|0.131930|3.788851|5.489877|2.614193|2.500149|2.133576|1.940226|1.994507|2.280782|2.263514|3.029563|0.068486|0.057221|2.071120|1.969068|1.761433|1.663489|1.717225|1.902247|2.058998|1.911818|1.739159|1.599352|2.163699|7.211670|17.580888|8.838146|6.760396|5.613819|6.738107|8.797858|0.204397|0.141927|0.162867|0.165142|0.228501|0.098040|0.108487|0.075082|0.056556|0.048871|0.050870|0.056417|0.069017|0.052451|0.061596|0.046763|0.042771|0.062182|0.056901|0.047453|0.041513|0.101590|0.500000| |7.277828|9.234216|0.165605|4.557839|3.598141|0.098202|2.872042|4.425669|2.133819|2.021629|1.764692|1.638679|1.698728|1.922200|1.956358|2.714094|0.061120|0.051639|1.920817|1.888060|1.693572|1.634678|1.730796|1.934457|2.036407|2.015832|1.856044|1.675814|2.215452|6.271547|8.775623|17.608284|8.902039|5.504405|4.850497|5.487697|0.198574|0.144776|0.248134|0.116923|0.121038|0.076991|0.077777|0.059519|0.046854|0.041745|0.044060|0.049465|0.058821|0.048554|0.057114|0.044322|0.042012|0.061846|0.061015|0.051739|0.043766|0.090480|0.214934|0.500000| |6.054686|9.450418|0.205254|4.551992|3.933629|0.113299|3.010671|4.780363|2.263906|2.083642|1.812982|1.707458|1.804757|2.069940|2.167116|3.025245|0.068316|0.056578|2.182588|2.134284|1.871960|1.792735|1.913663|2.189903|2.341810|2.298078|2.069751|1.834395|2.418601|7.081601|8.840518|17.494849|8.820609|6.745845|5.654044|6.796655|0.143176|0.132127|0.202538|0.109586|0.117777|0.078257|0.080020|0.060145|0.047460|0.043304|0.047076|0.054696|0.066312|0.054674|0.066354|0.048552|0.045524|0.073088|0.071253|0.057577|0.047371|0.097579|0.173710|0.301952|0.500000| |4.117882|6.135622|0.112466|3.641382|3.002010|0.086135|2.523494|3.959536|1.961313|1.875559|1.664103|1.554954|1.604288|1.789588|1.815116|2.439479|0.053757|0.046344|1.729601|1.661951|1.498113|1.431755|1.491114|1.648415|1.755039|1.690834|1.559842|1.426949|1.905388|4.934026|6.796975|8.847965|17.523889|8.849133|6.814009|5.671380|0.119513|0.092850|0.118706|0.091362|0.107651|0.066130|0.071501|0.054841|0.044431|0.039919|0.041864|0.046526|0.055015|0.044528|0.051652|0.039758|0.037036|0.053095|0.050739|0.043284|0.037406|0.070791|0.198837|0.217710|0.173614|0.500000| |3.846342|5.552111|0.109533|3.194392|2.773464|0.080130|2.309197|3.718560|1.837664|1.733927|1.546671|1.463347|1.525574|1.703382|1.760321|2.404194|0.052884|0.045582|1.740439|1.692613|1.518473|1.461437|1.541848|1.721092|1.817983|1.797395|1.659223|1.498008|1.977739|4.784786|5.519286|8.898877|17.584776|8.808433|5.510409|4.858808|0.104957|0.088531|0.119439|0.080510|0.089571|0.060670|0.063801|0.050060|0.041079|0.037652|0.040151|0.045371|0.053315|0.044711|0.052303|0.039963|0.037676|0.055501|0.054683|0.046524|0.039280|0.068504|0.139584|0.216505|0.216142|0.304230|0.500000| |3.040568|4.791521|0.095360|3.022096|2.729899|0.082665|2.325874|3.807462|1.903539|1.788102|1.605215|1.530634|1.602514|1.783738|1.850948|2.452311|0.053176|0.046090|1.773541|1.676961|1.497619|1.418042|1.471166|1.636511|1.765834|1.671673|1.528329|1.393794|1.866655|4.504216|4.831460|5.478094|8.848129|17.581386|8.846559|5.491080|0.083148|0.072922|0.087114|0.074025|0.089304|0.059445|0.066084|0.051064|0.042481|0.039429|0.042345|0.048073|0.056973|0.046098|0.053861|0.039849|0.036565|0.054019|0.050503|0.042300|0.036400|0.063573|0.126155|0.123862|0.138841|0.215513|0.210950|0.500000| |3.462740|5.653464|0.119350|3.387371|3.147680|0.097392|2.573541|4.252707|2.078171|1.909848|1.696252|1.625218|1.726922|1.953649|2.070237|2.783909|0.060915|0.051706|2.039291|1.932744|1.696226|1.602249|1.679558|1.903546|2.070964|1.960622|1.766242|1.586074|2.114324|5.338388|5.621464|6.728954|8.843691|17.515490|8.846970|6.762289|0.089922|0.082880|0.101611|0.081012|0.096026|0.065103|0.071230|0.054134|0.044388|0.041563|0.045648|0.053374|0.064446|0.052322|0.062946|0.044646|0.040895|0.064656|0.060285|0.048877|0.041080|0.073646|0.130083|0.139136|0.197568|0.173610|0.214455|0.303739|0.500000| |3.598268|6.163127|0.114631|4.149487|3.553860|0.108894|3.019017|4.739560|2.343360|2.218871|1.952703|1.824215|1.893251|2.131070|2.156837|2.791100|0.061131|0.052261|1.949795|1.809490|1.614275|1.509345|1.543456|1.707181|1.869742|1.705688|1.548547|1.427866|1.939268|5.408041|6.790366|5.655627|6.812793|8.841544|17.524254|8.843172|0.100942|0.085381|0.095554|0.097584|0.134998|0.075413|0.089393|0.064378|0.051624|0.046459|0.049135|0.055034|0.067028|0.050416|0.058915|0.043284|0.038896|0.056808|0.050881|0.042253|0.037110|0.075504|0.198272|0.127169|0.130978|0.200191|0.139550|0.215235|0.173575|0.500000| 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