Version2.1 2020-12-29T16:08:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccccc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCNc4ccccc4 C39655414 RHF 6-31G(d) (6D,7F) CCOc1ccccc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCNc4ccccc4 C01[X(C26H35N4O3)] 198 C1 565 CCOc1ccccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCNc1ccccc1 CCOc1ccccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCNc1ccccc1 CCOc1ccccc1C(=O)N2C[C@H](C(=O)NCCNc3ccccc3)C4(CC[NH2+]CC4)C2 InChIKey=HYXNCCGWCKBEPG-JOCHJYFZSA-O InChI=1S/C26H34N4O3/c1-2-33-23-11-7-6-10-21(23)25(32)30-18-22(26(19-30)12-14-27-15-13-26)24(31)29-17-16-28-20-8-4-3-5-9-20/h3-11,22,27-28H,2,12-19H2,1H3,(H,29,31)/p+1/t22-/m1/s1 InChI=1/C26H34N4O3/c1-2-33-23-11-7-6-10-21(23)25(32)30-18-22(26(19-30)12-14-27-15-13-26)24(31)29-17-16-28-20-8-4-3-5-9-20/h3-11,22,27-28H,2,12-19H2,1H3,(H,29,31)/p+1/t22-/m1/s1/fC26H35N4O3/h27,29H/q+1 CCOc1ccccc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCNc4ccccc4 C01[X(C26H35N4O3)] 198 C01 565 CCOc1ccccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCNc1ccccc1 CCO[C]1[CH][CH][CH][CH][C]1C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)[C]([NH]CCN[C]1[CH][CH][CH][CH][CH]1)=O CCO[C]1[CH][CH][CH][CH][C]1C(=O)N2C[C@H](C(=O)NCCN[C]3[CH][CH][CH][CH][CH]3)C4(CC[NH2]CC4)C2 InChIKey=FKQSVZLSGQJRLJ-JOCHJYFZSA-N InChI=1S/C26H35N4O3/c1-2-33-23-11-7-6-10-21(23)25(32)30-18-22(26(19-30)12-14-27-15-13-26)24(31)29-17-16-28-20-8-4-3-5-9-20/h3-11,22,28H,2,12-19,27H2,1H3,(H,29,31)/t22-/m1/s1 InChI=1/C26H35N4O3/c1-2-33-23-11-7-6-10-21(23)25(32)30-18-22(26(19-30)12-14-27-15-13-26)24(31)29-17-16-28-20-8-4-3-5-9-20/h3-11,22,28H,2,12-19,27H2,1H3,(H,29,31)/t22-/m1/s1/f/h29H 3371.8235506375 -1447.1676211 1-A 22552.1027 121 444 565 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926.9566 944.1921 952.8986 980.3912 982.0910 996.6957 1013.4466 1031.3875 1044.2934 1062.5371 1081.4188 1084.9187 1087.8832 1090.4750 1099.8439 1112.3699 1117.1195 1123.9227 1130.5747 1132.4257 1134.7232 1143.3308 1152.3752 1160.9954 1171.1902 1175.5922 1187.1514 1203.5978 1208.1117 1224.3894 1234.6704 1239.7965 1246.8846 1255.0199 1262.6977 1275.5271 1298.7288 1303.7738 1306.9219 1321.6190 1328.2937 1329.8155 1336.5801 1348.2836 1355.8355 1369.0868 1385.6817 1394.1879 1409.5318 1416.8362 1429.6720 1438.5868 1447.3818 1452.6335 1455.8340 1458.1885 1463.8408 1468.2751 1487.1518 1494.7545 1507.4571 1525.8152 1544.5817 1546.8905 1548.1762 1554.1570 1559.5395 1567.5342 1572.4031 1581.9192 1583.4057 1611.4161 1622.2575 1629.5864 1636.0488 1640.0742 1646.4240 1646.7214 1650.6411 1661.8080 1666.7822 1668.0040 1676.1762 1678.1083 1683.9192 1695.2137 1697.1311 1724.7877 1783.1308 1793.3924 1809.0998 1811.1773 1825.4068 1910.0387 1931.7211 3143.0624 3194.6668 3204.0326 3212.4612 3223.3742 3240.2314 3244.6289 3245.3831 3260.5789 3263.5259 3275.0779 3278.4397 3280.4288 3285.5585 3292.6720 3293.2601 3296.7519 3298.5808 3316.3437 3334.3425 3334.7743 3342.1780 3348.7117 3360.2664 3373.2125 3374.2809 3384.8777 3388.9944 3396.2317 3400.5994 3413.7698 3659.9029 3729.4101 3806.9059 3884.1911 5.2608 4.4955 4.3167 3.8169 4.6410 5.4957 5.0269 5.8319 4.1158 4.5297 3.8568 2.4743 3.8684 2.6665 2.3644 3.9440 3.2479 4.2185 3.3035 3.7923 3.5974 3.3966 3.4362 3.1848 2.4629 1.4162 3.2825 3.7470 4.0527 3.0824 5.5936 2.7615 2.3704 4.5855 3.5568 2.9810 2.9834 2.4252 2.3954 4.2379 2.1573 2.3225 2.8305 2.0136 3.0001 3.4151 3.2126 4.8239 5.6429 2.9978 3.3302 2.8666 4.8322 3.9368 2.0125 2.8806 4.7981 1.9057 1.8611 2.6118 1.7647 2.8665 2.5553 1.8812 3.6701 3.8114 1.1093 2.3662 1.3058 1.5523 2.2585 1.4978 2.3572 1.4828 2.4348 3.5352 3.1231 1.8538 5.5963 1.4492 1.7111 1.3544 1.7222 1.9582 1.3094 1.3334 2.3377 2.4770 1.8790 3.3863 2.5268 3.0352 3.0646 2.5658 1.9611 2.6850 2.5746 2.1684 2.3573 2.0611 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7.2418 7.3317 7.3017 7.3743 7.4077 7.4513 7.4752 7.5136 8.3430 8.9737 9.1872 9.5916 1.6884 0.2595 0.7754 1.3258 1.2350 0.8102 2.5755 9.7663 9.7434 0.2579 8.2495 4.5503 2.5863 5.7951 0.4904 2.0562 3.5668 5.2479 0.8874 1.7472 2.8018 5.2578 9.4968 8.1088 3.6576 0.6055 4.1080 5.0671 1.4310 0.5841 1.5969 7.2659 5.0225 8.8545 21.9339 2.1804 0.4280 9.9301 7.1979 7.1507 146.1720 34.7590 4.7859 8.7930 10.6878 1.8390 31.7323 4.8012 3.8289 27.5488 22.0680 6.2648 24.9900 13.3827 12.4905 3.0693 10.2032 4.0557 95.9094 19.6112 47.1656 8.3999 10.0411 6.7452 16.8480 6.8495 1.2168 10.2499 1.7376 13.8688 3.5057 0.6523 3.0562 7.6844 14.9764 27.6271 3.1959 14.4116 1.1542 1.6682 8.8588 0.0704 18.3884 3.8486 0.5832 0.6595 1.3350 6.9089 3.0412 13.3369 8.1458 51.1899 6.0373 6.7308 4.2990 4.3780 17.4739 6.8486 18.8671 3.9763 35.7244 47.0283 36.7701 16.6050 5.6158 19.8247 6.0167 18.6717 13.1647 2.1241 4.2025 40.7905 107.1910 33.3062 59.7129 182.8502 139.6446 26.6173 59.3122 16.4303 5.0214 6.2878 8.7289 13.1209 34.3281 4.2831 43.2964 128.8134 42.5961 10.2064 27.7600 32.1531 65.7229 355.7029 18.7509 24.6818 0.8555 44.8846 78.7581 14.9680 144.2997 5.0819 12.1220 0.6746 3.3819 3.7195 4.6534 20.1683 74.9439 58.0673 3.2329 4.6289 5.4170 4.0392 181.7428 374.1387 21.6065 12.2001 112.7264 107.7159 110.7613 255.3879 396.7686 65.0475 3.9972 41.6145 28.2714 22.6021 30.3506 14.4339 24.7739 1.7020 1.8763 7.6779 23.2009 3.3340 63.5841 42.8766 12.1202 6.4973 32.9210 1.3891 7.9106 5.3049 5.4957 14.2990 2.5983 25.1144 1.5691 8.0738 47.6586 9.4581 16.4973 6.9905 66.9253 88.1072 9.0436 37.8702 3.8760 1.6749 3.3925 6.3365 0.1874 0.7247 0.9693 2.5207 2.7582 3.0137 1.3046 0.7017 0.8683 1.0086 0.5381 0.8935 0.3277 1.3199 0.6718 1.5278 1.2917 2.1244 0.4022 1.6501 0.4987 0.7314 2.0334 0.8556 0.5971 1.0071 0.2944 0.9566 1.1905 4.1048 3.0546 0.7811 0.2301 2.0803 2.3970 1.4058 1.7954 0.9209 1.4207 1.0566 0.9290 3.0429 0.8950 3.6818 4.6646 3.3447 4.9780 1.3812 5.3179 0.6576 0.6192 6.1203 0.4592 3.0562 6.0722 10.9089 2.9022 0.8930 1.2104 5.4574 3.2407 7.3266 0.2829 1.6257 3.4990 0.7935 1.5232 2.0616 4.9344 1.4536 3.3763 2.9016 8.5709 3.3158 30.9564 2.7346 5.8965 0.4695 2.1966 3.1621 0.6508 0.1698 10.7684 1.0184 8.6506 13.8769 22.3342 4.1167 5.5284 1.8032 3.7034 7.4373 9.5041 1.1932 6.6972 7.9589 1.1909 3.4066 2.7405 3.6783 1.2859 4.5549 4.4381 3.9089 0.7193 1.4467 1.3647 10.6855 0.3114 4.5367 1.8546 13.4097 21.7946 2.7970 4.5355 8.6299 7.4907 4.2136 29.5853 4.2803 7.5756 2.1800 2.0830 4.9308 0.9343 2.1234 2.0158 3.1549 1.1290 3.2830 2.2439 0.9514 3.8566 1.6630 5.4649 3.6130 0.5014 20.2263 18.1762 21.0254 15.8471 2.2095 2.6526 5.2522 2.5053 2.5753 5.8904 5.9595 5.0443 6.3589 6.6232 2.1146 8.9914 6.7451 34.3403 55.2346 5.5674 3.5129 20.0387 63.3266 15.6268 66.4568 85.8616 96.7146 85.3376 22.7333 96.8446 73.3795 102.7309 94.5772 14.4421 82.1982 66.5335 33.9195 38.5065 45.1072 71.3202 53.8287 28.7998 67.5074 39.3401 41.3401 86.9562 95.1464 56.0732 78.0005 58.9722 242.6972 153.8280 130.4323 63.3933 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66 67 68 6 6 8 6 6 6 6 6 6 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 6 7 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 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 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 10673.2304 32786.6778 38097.7267 0.99997 -0.00339 -0.00658 0.00335 0.99997 -0.00644 0.00661 0.00642 0.99996 1 0.00812 0.00264 0.00227 0.16909 0.05504 0.04737 14.34 22.22 29.68 37.83 42.93 57.42 74.82 83.02 89.55 102.38 124.94 140.76 158.14 174.89 191.58 193.35 229.07 267.38 294.26 302.33 317.39 347.03 356.56 362.24 397.38 405.02 436.85 438.96 467.86 490.11 518.99 549.94 553.18 585.60 594.11 646.05 656.43 697.92 713.24 714.91 725.21 760.60 778.64 795.92 823.51 844.62 893.00 932.75 951.98 973.12 979.95 992.12 1014.34 1058.58 1110.80 1144.50 1172.93 1196.19 1220.43 1225.48 1233.14 1250.36 1260.56 1263.88 1279.06 1301.79 1302.18 1306.65 1333.68 1358.48 1371.01 1410.56 1413.01 1434.02 1458.12 1483.94 1502.51 1528.75 1555.92 1560.96 1565.22 1568.95 1582.43 1600.45 1607.29 1617.07 1626.64 1629.31 1632.61 1645.00 1658.01 1670.41 1685.08 1691.42 1708.05 1731.71 1738.20 1761.62 1776.42 1783.79 1793.99 1805.69 1816.74 1835.20 1868.58 1875.84 1880.37 1901.52 1911.12 1913.31 1923.04 1939.88 1950.74 1969.81 1993.69 2005.93 2028.00 2038.51 2056.98 2069.81 2082.46 2090.02 2094.62 2098.01 2106.14 2112.52 2139.68 2150.62 2168.89 2195.31 2222.31 2225.63 2227.48 2236.09 2243.83 2255.33 2262.34 2276.03 2278.17 2318.47 2334.07 2344.61 2353.91 2359.70 2368.84 2369.26 2374.90 2390.97 2398.13 2399.89 2411.64 2414.42 2422.78 2439.03 2441.79 2481.58 2565.53 2580.29 2602.89 2605.88 2626.35 2748.12 2779.32 4522.17 4596.41 4609.89 4622.02 4637.72 4661.97 4668.30 4669.38 4691.25 4695.49 4712.11 4716.94 4719.81 4727.19 4737.42 4738.27 4743.29 4745.92 4771.48 4797.38 4798.00 4808.65 4818.05 4834.67 4853.30 4854.84 4870.08 4876.01 4886.42 4892.70 4911.65 5265.78 5365.79 5477.29 5588.48 0.635621 0.665122 0.666066 0.569829 -1446.532001 -1446.502500 -1446.501555 -1446.597793 3.227838D-04 MUNgauss RevisionA2.0 retrievium 29-Dec-2020 DUDE CCOc1ccccc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCNc4ccccc4 C39655414 RHF 6-31G(d) (6D,10F) C1 451.270916 |X|Y|Z| 127.674787 67.464172 41.228183 70.814823 28 6 7 24 4 |36.858105| |12.579042|36.858105| |8.047827|13.473471|73.516695| |5.224626|7.960057|25.028719|36.858105| |4.403531|6.703568|14.024377|13.730975|36.858105| |3.345372|4.515154|9.244428|7.931364|13.735939|36.858105| |2.979175|3.787893|8.178528|6.829349|7.908114|13.783939|36.858105| |3.203946|3.986454|9.370455|7.924492|6.891285|7.995041|13.761919|36.858105| |4.087434|5.243451|14.458857|13.645076|7.919168|6.879825|7.895966|13.737823|36.858105| |3.970649|4.534389|11.992166|7.482255|5.006887|4.463130|5.065809|7.715438|12.687019|36.858105| |3.490352|3.822739|9.124351|5.519511|4.111314|3.835631|4.431823|6.401112|8.062940|15.863911|73.516695| |4.024873|4.333224|11.091584|6.017926|4.260397|3.739171|4.044551|5.457795|7.751478|13.991622|15.234459|53.358707| |4.012478|4.379243|10.788753|5.782753|4.326686|3.748952|3.890466|4.848947|6.432402|7.550246|9.438115|17.835754|36.858105| |3.368162|3.417487|7.557193|3.959952|3.211280|2.885490|3.002086|3.585046|4.312910|5.200077|7.539775|11.096831|12.369168|36.858105| |2.864734|2.955485|6.445045|3.555949|2.966413|2.763733|2.954174|3.532570|4.023106|4.811756|7.234574|9.414585|8.900588|17.495547|0.500000| |3.447106|3.317134|7.222821|3.643026|2.920519|2.613773|2.725629|3.284186|3.992302|5.242138|8.187905|11.066837|7.833981|12.304835|0.248234|36.858105| |3.466447|3.473210|7.966142|4.190743|3.236587|2.928398|3.161165|4.032425|5.019531|7.863043|12.638027|17.896880|7.873690|8.065007|0.200490|12.385398|36.858105| |4.215988|3.737085|7.777556|3.625155|2.911980|2.526217|2.543100|2.978605|3.693707|4.585595|7.246765|8.580494|6.209986|7.435452|0.152553|12.308042|7.550200|36.858105| |3.730363|3.209442|6.373720|3.033817|2.503331|2.208445|2.232417|2.585341|3.107604|3.838133|6.564516|6.414735|4.282249|4.848980|0.113113|7.430039|5.964877|12.508038|36.858105| |2.898407|2.586125|5.082805|2.529447|2.146729|1.942217|1.985014|2.275950|2.634676|3.195992|5.567145|5.265144|3.630296|4.400409|0.109254|6.488642|5.027510|7.704160|12.649187|53.358707| |2.679340|2.379622|4.595127|2.302738|1.978882|1.801212|1.839092|2.090539|2.389810|2.859187|5.091777|4.521397|3.083637|3.581410|0.091123|4.905440|4.182341|5.681017|9.156177|25.693975|0.500000| |2.805045|2.497688|4.838294|2.407189|2.068500|1.870859|1.896875|2.147791|2.470940|2.915164|4.979567|4.813193|3.496621|4.350534|0.107475|5.917105|4.358143|7.139167|9.202016|25.648875|0.327409|0.500000| |2.608777|2.429857|4.905905|2.527742|2.142743|1.974326|2.061651|2.397303|2.729729|3.394229|5.992622|5.677951|3.829390|4.858675|0.128806|7.445974|5.908883|6.469276|7.627193|17.231422|0.254397|0.255831|36.858105| |2.746816|2.625020|5.441587|2.829489|2.374870|2.185691|2.293312|2.693748|3.090832|3.863638|6.476314|6.988605|5.008248|7.473131|0.200700|12.385562|7.414544|7.511675|6.483063|10.521885|0.158101|0.199280|12.512864|36.858105| |3.183013|3.160796|6.526710|3.367444|2.876407|2.581331|2.602606|2.948213|3.434230|3.795943|5.706336|6.962054|7.325928|12.480939|0.251837|7.292422|5.013359|6.204776|4.264131|5.482256|0.092297|0.119081|4.162764|5.911126|36.858105| |3.003932|2.866143|5.698084|2.890452|2.504985|2.253139|2.258177|2.527490|2.913855|3.239625|5.054754|5.707410|5.270235|7.964073|0.179217|6.607758|4.399562|6.336410|4.567886|6.184307|0.102715|0.143617|4.492658|6.157947|15.769784|73.516695| |3.015570|3.108344|6.310096|3.365813|2.982930|2.702857|2.689915|2.958994|3.358541|3.477293|5.190483|5.974809|6.433621|7.841275|0.191615|5.006510|4.004137|4.487687|3.337759|4.277783|0.074920|0.092006|3.231133|4.238714|14.197925|15.126969|53.358707| |2.675064|2.717085|5.242295|2.796181|2.577860|2.360496|2.313097|2.465638|2.728682|2.765413|4.256809|4.497294|4.354880|4.995311|0.128805|3.762529|3.097078|3.593502|2.847033|3.733053|0.066852|0.081950|2.757167|3.419110|7.753883|12.133413|17.807492|36.858105| |2.219776|2.251562|4.338446|2.364420|2.204208|2.073744|2.069626|2.199049|2.366513|2.422849|3.821607|3.869847|3.543649|4.176430|0.116733|3.292437|2.758183|3.042450|2.519229|3.436133|0.062277|0.075619|2.604907|3.203502|5.821497|9.880053|10.455617|12.483386|36.858105| |2.018553|2.033423|3.818614|2.077362|1.973656|1.863473|1.839669|1.921651|2.050187|2.073599|3.314574|3.226174|2.852265|3.219162|0.088790|2.688803|2.303997|2.576301|2.203087|3.012411|0.055590|0.066518|2.240932|2.641357|4.200510|7.530701|6.965037|7.876958|13.220123|53.358707| |1.762971|1.772741|3.320481|1.821236|1.739917|1.663782|1.655864|1.724425|1.815388|1.843792|2.992299|2.830016|2.426809|2.732320|0.077037|2.355712|2.051766|2.242226|1.969438|2.740195|0.051188|0.060336|2.057448|2.379556|3.374120|6.138394|5.250421|5.077727|7.699310|18.484518|36.858105| |1.625757|1.633348|3.016247|1.656353|1.601927|1.536812|1.519059|1.564356|1.637633|1.647958|2.691765|2.489552|2.101786|2.305183|0.064426|2.029771|1.797627|1.965075|1.753471|2.427534|0.045873|0.053217|1.803416|2.039219|2.763507|5.030501|4.238834|3.961222|5.111539|10.788449|13.637506|36.858105| |1.459157|1.464208|2.701459|1.490147|1.444574|1.396257|1.387575|1.427015|1.482480|1.496312|2.468680|2.240752|1.857730|2.031609|0.057293|1.821837|1.631715|1.758569|1.594754|2.227381|0.042463|0.048628|1.663022|1.854581|2.367563|4.322132|3.534326|3.126809|3.903414|7.054678|7.896498|13.816609|36.858105| |1.404066|1.408127|2.618927|1.449374|1.397067|1.356595|1.361138|1.408527|1.457878|1.484678|2.463909|2.226203|1.829731|2.024662|0.057914|1.827957|1.639466|1.741472|1.589332|2.247773|0.042918|0.049004|1.699493|1.893825|2.329392|4.263671|3.412552|2.922241|3.714812|6.169411|6.800441|7.919884|13.713587|36.858105| |1.488839|1.493696|2.808846|1.554923|1.484865|1.440639|1.455901|1.520760|1.577807|1.621649|2.685743|2.457402|2.030480|2.293673|0.066487|2.053208|1.823558|1.924121|1.743497|2.487106|0.047140|0.054352|1.905194|2.154708|2.659144|4.874252|3.875590|3.293636|4.427194|6.981954|7.908276|6.911430|7.994655|13.801670|36.858105| |1.668600|1.676270|3.171869|1.749022|1.659415|1.598590|1.612273|1.692935|1.771597|1.822958|2.984901|2.802320|2.367054|2.717789|0.078648|2.370222|2.068175|2.207868|1.959615|2.778898|0.051996|0.061070|2.128334|2.465454|3.270068|5.980238|4.882125|4.329038|6.531496|10.559271|13.707860|7.952063|6.887522|7.898962|13.713463|36.858105| |17.556435|8.850601|12.838754|4.804335|4.003885|3.114560|2.824505|3.070927|3.912119|3.927986|6.032364|5.789103|4.456864|3.832664|0.087939|3.899147|3.710808|5.031416|4.228206|4.396458|0.081398|0.088288|2.854730|3.052991|3.725812|6.304116|4.727509|3.064233|2.483775|3.052451|1.933819|1.769974|1.575613|1.512357|1.609935|1.820723|0.500000| |17.572704|8.865247|12.921331|4.931854|4.036194|3.166313|2.907108|3.199126|4.095870|4.187281|6.780861|5.657362|3.878718|3.306445|0.078699|3.552791|3.686708|4.398102|4.099317|4.215732|0.080352|0.081347|2.764538|2.837375|3.029374|5.132199|3.811326|2.465153|2.086676|2.574907|1.669995|1.537699|1.390409|1.348119|1.433785|1.598441|0.299799|0.500000| |17.567979|8.887078|10.225903|4.237885|3.851139|3.015572|2.661341|2.783439|3.392018|3.256286|5.225517|4.458777|3.301248|2.867298|0.069093|2.919588|2.903597|3.516341|3.226226|3.524830|0.067583|0.070394|2.322012|2.413511|2.785844|4.758550|3.650051|2.453797|2.057931|2.593530|1.674364|1.561214|1.405590|1.346674|1.416637|1.577563|0.301217|0.300731|0.500000| |8.863062|17.565266|16.488781|6.916840|6.732903|4.551517|3.685540|3.721870|4.653201|3.935306|5.882765|5.273552|4.178127|3.301235|0.079797|3.081918|3.130628|3.416467|2.899441|3.265010|0.061222|0.065429|2.265145|2.477843|3.173822|5.089802|4.407351|2.885871|2.357547|2.920417|1.854696|1.716052|1.528339|1.457736|1.539126|1.733043|0.212769|0.173565|0.212742|0.500000| |8.851362|17.578514|16.534573|7.272860|6.872222|4.709658|3.866116|3.944455|4.949485|4.178193|6.544252|5.155139|3.680834|2.940792|0.072560|2.895356|3.106913|3.189358|2.850889|3.183396|0.060675|0.062357|2.215186|2.353869|2.705808|4.405351|3.633670|2.368036|2.008965|2.493369|1.617727|1.501711|1.357369|1.308624|1.382505|1.537412|0.173308|0.212080|0.212994|0.300940|0.500000| |4.685457|7.437297|12.582170|8.886609|17.770015|8.952675|5.649863|4.965955|5.629806|4.066703|6.126759|4.961124|3.791208|2.929020|0.074561|2.682768|2.879506|2.750558|2.385573|2.785671|0.052668|0.055239|2.011267|2.208683|2.717159|4.274770|3.865944|2.519961|2.141671|2.649228|1.712767|1.590489|1.431888|1.375213|1.451186|1.618801|0.115978|0.114327|0.118162|0.232769|0.220278|0.500000| |2.989877|3.919119|7.466917|5.654168|8.956581|17.722604|8.925697|5.667615|4.956027|3.565328|5.626637|4.217275|3.151696|2.522781|0.067553|2.293556|2.517233|2.234761|1.978043|2.394016|0.045601|0.047351|1.780894|1.956556|2.314977|3.637628|3.332902|2.192114|1.943979|2.411940|1.591618|1.484109|1.352806|1.309993|1.381373|1.523821|0.077406|0.078125|0.077068|0.113232|0.115447|0.217545|0.500000| |2.553686|3.133136|6.494727|4.931092|5.629924|8.903048|17.739798|8.909144|5.628660|4.134851|6.757695|4.655087|3.305192|2.665837|0.074276|2.432997|2.793811|2.256791|2.010090|2.473630|0.047068|0.048356|1.899821|2.099853|2.342811|3.650212|3.309383|2.125116|1.937607|2.362314|1.578989|1.455572|1.338517|1.317077|1.405413|1.544896|0.067694|0.069576|0.064495|0.085564|0.089306|0.124265|0.214308|0.500000| |2.815294|3.336722|7.587394|5.650868|4.962863|5.668276|8.915514|17.727830|8.968792|7.257364|12.018271|7.125840|4.480170|3.493332|0.098950|3.253073|4.100209|2.864824|2.526669|3.084638|0.058011|0.059051|2.439308|2.733779|2.833485|4.348225|3.820877|2.343323|2.134161|2.532530|1.686956|1.526794|1.401822|1.394785|1.512416|1.675583|0.075864|0.079336|0.068613|0.086581|0.091589|0.107770|0.124327|0.214496|0.500000| |4.938162|5.445175|13.604137|6.466282|4.775763|3.886751|3.799254|4.504485|6.149936|6.439113|8.302066|12.325137|17.610593|8.719281|0.174852|6.477011|6.101436|6.282502|4.276383|4.764754|0.083305|0.095124|3.489289|4.333568|6.941261|9.278876|8.744458|4.524817|3.499994|3.919853|2.415446|2.114043|1.854787|1.803526|1.978461|2.306833|0.158933|0.126341|0.109567|0.146564|0.119539|0.119908|0.091163|0.088600|0.110767|0.500000| |3.515097|4.006532|9.600473|5.796876|4.580789|4.149055|4.417428|5.475326|6.703351|6.821867|8.704026|12.325014|17.589618|8.696187|0.224106|5.692633|5.984146|4.607403|3.454694|4.153426|0.073672|0.082387|3.266199|4.177239|6.212747|8.019371|8.614004|4.346224|3.608677|3.936878|2.467218|2.136929|1.888465|1.859487|2.063176|2.405675|0.105214|0.093271|0.082585|0.109782|0.096182|0.108904|0.096228|0.104177|0.139809|0.302149|0.500000| |2.915647|2.971102|6.633260|3.678908|2.951533|2.769629|3.073126|3.922987|4.535729|6.729018|11.812627|12.331823|6.352478|6.844499|0.202430|8.735456|17.516456|5.510030|4.750931|6.035749|0.105598|0.108124|5.663432|7.116660|4.475580|7.021551|5.029966|2.904217|2.676642|3.040910|2.019062|1.765820|1.615763|1.639257|1.833842|2.066508|0.085402|0.085366|0.069561|0.075744|0.075518|0.072680|0.066685|0.077145|0.116490|0.135704|0.151662|0.500000| |3.564635|3.470977|7.772063|3.993499|3.098813|2.790344|2.986577|3.764448|4.674930|7.269685|13.537647|12.466578|5.824570|5.713052|0.142920|8.594305|17.627338|7.118851|6.664096|7.207616|0.126538|0.121349|5.914639|6.199205|4.074111|6.690646|4.556208|2.702468|2.421236|2.819408|1.861883|1.652056|1.509765|1.515273|1.670708|1.872855|0.103657|0.109895|0.082977|0.084791|0.087828|0.077313|0.067003|0.073582|0.106143|0.140329|0.129501|0.303660|0.500000| |5.470022|4.722115|10.126327|4.378324|3.387332|2.843032|2.815535|3.314430|4.302423|5.300711|8.059752|9.739172|6.853570|6.680588|0.137667|8.768425|7.230649|17.580974|9.016746|7.642397|0.127170|0.144558|4.891828|5.490725|5.522277|9.325007|5.891881|3.466481|2.871230|3.345727|2.128994|1.885831|1.684845|1.655067|1.810826|2.070521|0.186525|0.159945|0.119441|0.115695|0.108132|0.088853|0.069029|0.068159|0.086283|0.212942|0.137424|0.142965|0.197389|0.500000| |4.015070|3.524976|7.018177|3.293438|2.731842|2.374904|2.357820|2.691563|3.261980|3.810607|6.001120|6.825399|5.518663|6.951526|0.143357|8.779573|5.531712|17.625093|8.938838|9.401359|0.144956|0.208445|5.601474|6.629509|7.161748|14.811925|6.803871|4.107929|3.396265|3.914716|2.464667|2.147105|1.901554|1.870688|2.068156|2.399448|0.138023|0.111373|0.095660|0.092694|0.083046|0.073004|0.059123|0.058537|0.071511|0.162805|0.118815|0.122986|0.141741|0.302941|0.500000| |3.673018|3.210068|6.463464|3.114258|2.546990|2.259360|2.308738|2.707577|3.258531|4.158335|7.450842|6.658825|4.106963|4.391380|0.105995|6.598178|6.412274|8.700952|17.634911|12.448150|0.222891|0.181138|7.045314|5.733926|3.692675|6.725418|4.072417|2.548929|2.280693|2.726824|1.807074|1.619012|1.482576|1.481710|1.620477|1.805809|0.110422|0.116511|0.087873|0.078929|0.080869|0.066748|0.055938|0.057733|0.074168|0.111643|0.093335|0.141893|0.230260|0.214138|0.173244|0.500000| |3.910287|3.211033|6.090548|2.854075|2.397466|2.100962|2.089643|2.372659|2.833294|3.351445|5.727408|5.361455|3.703708|4.038552|0.095085|5.437006|4.568650|8.786675|17.626587|12.358498|0.224037|0.222337|5.590385|4.874802|3.783838|7.341345|4.176280|2.702765|2.379943|2.890198|1.899539|1.709671|1.555548|1.540024|1.673312|1.871687|0.124403|0.119879|0.095983|0.080784|0.079365|0.064603|0.052758|0.052371|0.063749|0.107015|0.084997|0.104809|0.139871|0.211816|0.218155|0.301386|0.500000| |2.602252|2.441646|4.971408|2.584787|2.177941|2.016736|2.127333|2.501511|2.841765|3.626416|6.672186|5.874955|3.718020|4.411488|0.118691|6.638278|6.375797|5.746590|7.055260|12.436096|0.222164|0.181046|17.618824|8.713716|3.634368|6.659816|3.975107|2.487874|2.345143|2.767030|1.874480|1.658378|1.536765|1.568923|1.746444|1.934218|0.077431|0.078019|0.064138|0.062410|0.062588|0.056363|0.050334|0.054496|0.071503|0.093360|0.088780|0.175162|0.194842|0.130022|0.131509|0.215500|0.144780|0.500000| |2.287049|2.141257|4.251356|2.219829|1.919065|1.787890|1.866724|2.139546|2.384377|2.878677|5.114708|4.660345|3.229763|4.044222|0.111252|5.442871|4.526915|4.860512|5.588156|12.354554|0.224139|0.222048|17.626375|8.774052|3.661933|7.165461|3.987108|2.574367|2.501419|2.965646|2.035095|1.787726|1.664609|1.717443|1.931392|2.134519|0.069062|0.066753|0.057481|0.056059|0.054714|0.050325|0.045225|0.048296|0.060771|0.082466|0.079021|0.126480|0.124789|0.107606|0.125813|0.144779|0.126492|0.300995|0.500000| |2.622088|2.492943|5.053256|2.620563|2.241686|2.063058|2.137793|2.457779|2.791436|3.331034|5.503028|5.873766|4.563168|7.001697|0.186707|8.845751|5.478013|6.667259|5.640707|9.464586|0.145530|0.210739|8.918123|17.595862|6.701968|14.120475|6.313952|3.835440|3.652855|4.054840|2.672514|2.256163|2.038640|2.086148|2.399546|2.784040|0.082055|0.073842|0.064824|0.066543|0.061835|0.058628|0.051800|0.054625|0.068587|0.113792|0.108309|0.145359|0.130615|0.137070|0.190616|0.131780|0.126856|0.173027|0.216377|0.500000| |2.479638|2.429685|5.064919|2.721870|2.307572|2.166802|2.315278|2.733377|3.051063|3.811630|6.498192|6.693383|4.720459|6.738739|0.213370|8.788979|6.986457|5.480472|4.882377|7.645499|0.127096|0.145137|8.993715|17.564981|5.200130|9.061521|5.417893|3.222355|3.121199|3.489302|2.345161|2.005495|1.839029|1.898139|2.175882|2.473095|0.075072|0.070980|0.060929|0.064016|0.061306|0.059081|0.053928|0.059501|0.078789|0.109627|0.115258|0.221493|0.158184|0.123289|0.136546|0.129093|0.107579|0.212812|0.212020|0.303437|0.500000| |2.997644|3.210947|6.674789|3.706654|3.303252|3.028831|3.038403|3.341270|3.747088|3.765146|5.510690|6.369299|7.177002|7.510160|0.196517|4.696867|4.043980|4.086039|3.091848|3.920008|0.069429|0.082332|3.009995|3.901334|9.426317|10.880955|26.073030|9.016064|6.375772|6.121121|3.520760|2.901470|2.451745|2.374137|2.677354|3.306944|0.093684|0.077234|0.073704|0.093440|0.077009|0.085890|0.075630|0.075962|0.087500|0.190807|0.223772|0.105293|0.093008|0.113233|0.119675|0.079101|0.078612|0.077479|0.075677|0.113276|0.105265|0.500000| |2.771173|2.728505|5.150592|2.673084|2.453543|2.218047|2.154946|2.298282|2.573300|2.634999|4.095259|4.280701|4.018660|4.651881|0.115601|3.734035|3.006234|3.768562|3.003438|3.937961|0.070486|0.088289|2.818576|3.421674|7.295750|13.426412|12.524683|17.657880|8.883171|9.746860|4.786703|3.863838|3.061123|2.836204|3.146980|4.047751|0.089837|0.070715|0.071170|0.080295|0.065740|0.067443|0.057353|0.054882|0.060557|0.119506|0.106565|0.077124|0.074179|0.100049|0.125181|0.073284|0.080687|0.069856|0.073204|0.108545|0.087049|0.181263|0.500000| |2.678200|2.779718|5.280555|2.853407|2.699329|2.475239|2.385861|2.489075|2.728292|2.675288|4.103349|4.226951|4.062542|4.271754|0.110763|3.289249|2.829009|3.190990|2.570263|3.317532|0.060213|0.071808|2.436413|2.944018|5.830303|9.022737|12.601344|17.568749|8.812741|9.706142|4.722001|3.900820|3.062885|2.796293|3.056863|3.896223|0.084260|0.067558|0.068881|0.084050|0.067428|0.074184|0.064493|0.060928|0.064923|0.120470|0.116519|0.073749|0.069399|0.088328|0.098887|0.064926|0.068522|0.062208|0.063183|0.088932|0.077862|0.228184|0.302340|0.500000| |2.125152|2.195490|4.281060|2.387433|2.240370|2.143215|2.164330|2.294204|2.425635|2.464026|3.884174|3.897632|3.563752|4.106182|0.120317|3.181787|2.749041|2.852254|2.373783|3.231154|0.058815|0.069837|2.501557|3.089040|5.272242|8.390368|9.603987|8.828734|17.439119|12.218825|6.724919|4.678976|3.729238|3.640194|4.389798|6.277922|0.065111|0.055733|0.054569|0.063753|0.054839|0.059866|0.055842|0.056700|0.062287|0.095221|0.104822|0.075494|0.066538|0.075464|0.085756|0.060683|0.061728|0.063443|0.066736|0.095306|0.086085|0.185108|0.173740|0.208889|0.500000| |2.177487|2.175467|4.213311|2.277443|2.094635|1.968547|1.982850|2.134379|2.307788|2.420796|3.857442|3.915427|3.512944|4.387146|0.124252|3.545262|2.886684|3.230783|2.693349|3.774814|0.067953|0.084280|2.892931|3.606028|6.209446|11.470205|9.510989|8.959950|17.607381|12.552378|6.952382|4.656998|3.741906|3.723648|4.628052|6.875565|0.067843|0.057575|0.055908|0.062301|0.054031|0.056252|0.051016|0.051591|0.058105|0.094592|0.096739|0.078289|0.070260|0.082263|0.101102|0.067084|0.070103|0.070998|0.078078|0.118851|0.097385|0.156166|0.217085|0.174401|0.301802|0.500000| |2.036627|2.069944|3.848762|2.102023|2.024198|1.911402|1.867400|1.926914|2.049169|2.037838|3.245496|3.132596|2.775721|3.020717|0.082478|2.521848|2.198322|2.445226|2.091732|2.815508|0.052204|0.061643|2.078661|2.426357|3.850318|6.721137|6.563544|7.414036|9.307140|25.979796|9.537148|7.561304|4.914948|4.099049|4.351291|5.888200|0.062613|0.052543|0.053719|0.061445|0.051838|0.055904|0.050838|0.048951|0.051424|0.079074|0.079017|0.058932|0.055175|0.065975|0.075310|0.053165|0.056372|0.052935|0.055771|0.074579|0.065346|0.121953|0.185373|0.220568|0.208608|0.181677|0.500000| |1.663314|1.671699|3.056505|1.673397|1.629498|1.556871|1.524337|1.559308|1.636383|1.632422|2.658467|2.454544|2.077495|2.241662|0.061816|1.975014|1.755577|1.938801|1.727405|2.364104|0.044738|0.051752|1.737304|1.954767|2.688641|4.872843|4.165955|3.949572|4.725989|9.948631|8.897363|17.695092|8.939230|5.638058|4.970255|5.651127|0.050325|0.043401|0.044629|0.049182|0.042660|0.045295|0.041939|0.040488|0.041985|0.058825|0.058628|0.047537|0.044994|0.052182|0.058996|0.044301|0.047119|0.044539|0.047519|0.059668|0.052996|0.079425|0.108856|0.112352|0.118654|0.116033|0.225640|0.500000| |1.382322|1.386611|2.539481|1.401509|1.367140|1.323443|1.310217|1.339680|1.388243|1.394538|2.308174|2.071610|1.704955|1.841376|0.051662|1.665950|1.504536|1.621495|1.481105|2.060250|0.039502|0.044833|1.529387|1.687872|2.119973|3.863493|3.148947|2.748273|3.275039|5.729049|5.634428|8.971632|17.713956|8.900624|5.667756|4.959339|0.041276|0.036571|0.037208|0.040271|0.035864|0.037813|0.035799|0.035192|0.036501|0.047530|0.048120|0.041316|0.038917|0.043409|0.048533|0.038388|0.040349|0.039469|0.042502|0.051124|0.046405|0.061121|0.075445|0.076033|0.087314|0.086887|0.115911|0.216672|0.500000| |1.302022|1.305002|2.421369|1.342984|1.297909|1.265230|1.271701|1.313242|1.353288|1.378419|2.302109|2.052107|1.667603|1.833080|0.052506|1.675036|1.516029|1.598436|1.473913|2.089928|0.040173|0.045377|1.581366|1.742126|2.072735|3.791619|3.000384|2.510900|3.082264|4.913482|4.915254|5.636902|8.879733|17.730807|8.907754|5.624967|0.038752|0.034853|0.034788|0.037420|0.033865|0.035499|0.034031|0.034317|0.036229|0.045600|0.047048|0.042250|0.039151|0.042266|0.047382|0.038366|0.039742|0.040762|0.044599|0.052905|0.048671|0.058433|0.068028|0.067132|0.084762|0.086418|0.092799|0.124031|0.213920|0.500000| 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