Version2.0 2020-01-13T20:15:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc2oc(c1ccccc1)nc2CCOc4cccc(CN(CCCc3ccccc3)CC(O)=O)c4 412987 CHEMBL428748 RHF 6-31G(d) (6D,7F) Cc2oc(c1ccccc1)nc2CCOc4cccc(CN(CCCc3ccccc3)CC(O)=O)c4 C01[X(C30H32N2O4)] 198 C1 604 OC(=O)CN(Cc1cccc(c1)OCCc1nc(oc1C)c1ccccc1)CCCc1ccccc1 OC(=O)CN(Cc1cccc(c1)OCCc1nc(oc1C)c1ccccc1)CCCc1ccccc1 Cc1oc(nc1CCOc2cccc(CN(CCCc3ccccc3)CC(O)=O)c2)c4ccccc4 InChIKey=OKAJTZNCNFNXOS-UHFFFAOYSA-N InChI=1S/C30H32N2O4/c1-23-28(31-30(36-23)26-14-6-3-7-15-26)17-19-35-27-16-8-12-25(20-27)21-32(22-29(33)34)18-9-13-24-10-4-2-5-11-24/h2-8,10-12,14-16,20H,9,13,17-19,21-22H2,1H3,(H,33,34) InChI=1/C30H32N2O4/c1-23-28(31-30(36-23)26-14-6-3-7-15-26)17-19-35-27-16-8-12-25(20-27)21-32(22-29(33)34)18-9-13-24-10-4-2-5-11-24/h2-8,10-12,14-16,20H,9,13,17-19,21-22H2,1H3,(H,33,34)/f/h33H Cc2oc(c1ccccc1)nc2CCOc4cccc(CN(CCCc3ccccc3)CC(O)=O)c4 C01[X(C30H32N2O4)] 198 C01 604 OC(=O)CN(Cc1cccc(c1)OCCc1nc(oc1C)c1ccccc1)CCCc1ccccc1 OC(=O)CN(Cc1cccc(c1)OCCc1nc(oc1C)c1ccccc1)CCCc1ccccc1 Cc1oc(nc1CCOc2cccc(CN(CCCc3ccccc3)CC(O)=O)c2)c4ccccc4 InChIKey=OKAJTZNCNFNXOS-UHFFFAOYSA-N InChI=1S/C30H32N2O4/c1-23-28(31-30(36-23)26-14-6-3-7-15-26)17-19-35-27-16-8-12-25(20-27)21-32(22-29(33)34)18-9-13-24-10-4-2-5-11-24/h2-8,10-12,14-16,20H,9,13,17-19,21-22H2,1H3,(H,33,34) InChI=1/C30H32N2O4/c1-23-28(31-30(36-23)26-14-6-3-7-15-26)17-19-35-27-16-8-12-25(20-27)21-32(22-29(33)34)18-9-13-24-10-4-2-5-11-24/h2-8,10-12,14-16,20H,9,13,17-19,21-22H2,1H3,(H,33,34)/f/h33H 3372.7883792859 -1563.0523042 1-A 35556.0477 129 475 604 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.63580 -20.61321 -20.57964 -20.55173 -15.55429 -15.55233 -11.38010 -11.33115 -11.29097 -11.28971 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 6.2091 8.1218 14.0993 17.9827 21.6156 23.2355 28.5086 40.6850 46.3129 51.7385 62.4669 67.2265 70.3151 90.6682 107.8698 115.3006 130.1361 139.0794 151.4021 165.7691 197.7826 208.3453 218.9951 235.5724 246.8444 248.3679 261.2749 276.6964 302.9405 317.3713 336.7307 364.3143 368.7685 374.0461 383.2822 417.7591 433.5688 453.4606 455.8538 481.9329 503.3863 524.1709 541.7146 552.0434 566.0832 573.1501 579.8070 629.4550 641.6311 643.4826 676.6324 681.6634 685.7120 702.4570 706.4130 730.7260 732.9522 759.0060 768.8681 772.9741 780.4639 801.1589 808.5903 824.6750 841.5592 872.1069 874.8997 884.2872 885.5391 893.1134 925.3512 954.2369 957.2474 962.5917 984.9758 1005.5807 1013.6335 1029.9999 1033.8657 1061.4743 1062.7594 1082.8051 1083.9549 1089.1980 1091.4942 1093.1066 1097.3679 1098.2066 1104.2625 1111.4725 1116.4554 1122.4691 1126.1369 1131.1912 1131.5944 1135.5396 1147.5294 1153.6060 1161.4561 1174.1701 1183.9260 1184.5711 1193.8977 1210.6295 1214.9485 1224.5854 1226.9760 1238.5810 1257.0562 1272.2458 1274.0875 1289.2195 1300.3604 1301.6579 1308.1612 1321.8285 1324.5814 1326.5703 1337.3303 1343.9659 1368.9342 1369.0467 1397.6597 1421.7669 1427.1407 1427.7915 1436.2504 1439.8928 1447.8969 1451.3111 1463.2036 1466.5307 1478.5829 1479.6741 1488.8572 1514.2757 1524.9142 1553.2039 1575.8240 1581.0226 1584.8074 1601.1814 1615.7635 1618.6791 1620.6299 1620.8810 1628.6100 1631.3315 1636.3467 1636.8202 1646.3156 1654.9200 1660.0538 1662.6549 1669.9144 1671.5148 1681.5287 1768.9798 1783.8545 1784.9129 1799.1266 1812.0253 1814.7766 1823.4136 1866.9441 2041.9268 3121.4968 3131.2240 3145.4829 3197.7339 3209.7690 3210.7338 3214.5424 3229.6532 3232.0386 3260.5213 3261.4132 3264.3353 3267.6924 3283.3305 3284.9185 3286.8393 3306.3549 3344.7125 3348.2556 3352.9768 3360.1109 3360.7344 3370.9950 3372.9114 3373.0444 3384.4636 3385.7477 3402.2150 3404.8267 3406.4796 3407.1428 4058.4260 5.9294 5.2086 5.6068 4.1654 4.8304 6.0019 4.4726 5.0604 5.1887 8.0127 4.2642 5.7105 5.3027 4.9368 2.6736 2.8884 3.7975 2.3179 1.1142 3.2670 4.3518 3.6240 4.5821 4.2729 4.2092 4.2674 3.9010 3.6217 3.8053 3.2795 3.2452 3.5964 2.3664 3.4875 4.8183 4.1598 3.8130 2.9306 2.9270 3.5867 3.4151 4.4468 2.8574 3.8651 1.7461 4.2071 3.6212 4.2529 4.4983 5.4635 6.3643 6.3254 4.8723 4.6790 2.0413 5.0348 3.1832 4.4710 2.3714 2.2966 1.9122 1.1174 2.5809 4.5072 1.8196 1.5089 2.2495 3.4027 2.3877 1.8365 1.4357 2.6959 1.3102 1.2477 1.4474 2.9069 1.6220 1.4531 2.9322 1.4063 7.1614 5.3847 2.2166 5.2077 5.2513 2.4051 1.3647 1.3321 2.3708 1.3609 2.3261 1.4452 2.7033 1.3269 2.2485 2.1022 1.8084 3.6160 2.5614 1.5351 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0.3297 0.8143 0.7173 0.9928 1.0911 1.3329 1.7168 1.7317 1.3498 1.3603 0.6002 1.5839 1.0076 1.5176 0.8260 0.8085 0.6863 0.4226 0.9942 1.8060 0.7593 0.6762 1.0145 1.5677 1.1032 0.8631 0.7243 1.4463 0.7074 0.6811 0.8274 1.7319 0.9819 0.9083 1.8466 0.9336 4.7656 3.7197 1.5345 3.6401 3.6861 1.6932 0.9683 0.9466 1.7033 0.9905 1.7083 1.0728 2.0198 1.0004 1.6964 1.5971 1.4031 2.8352 2.0358 1.2470 1.4034 1.5686 2.4028 1.6764 2.6482 1.7525 1.9746 2.7587 1.4492 2.2172 2.3883 2.0636 1.1623 1.1950 1.9345 2.4265 2.6690 1.6802 1.8471 1.8045 1.7094 1.7028 1.4135 2.1940 2.0346 1.7775 2.1963 1.8691 1.3949 1.6212 2.0703 1.8229 2.1496 2.0233 1.6588 4.3229 2.0533 2.2367 2.0207 2.2088 2.2961 2.8910 3.3936 1.6168 3.2194 2.7861 2.1847 1.7205 1.7062 1.7262 1.7617 1.8093 1.9786 2.9505 3.7527 3.6185 1.9178 11.3361 9.9625 9.7630 12.1398 10.2842 11.2543 12.7235 18.7585 25.1463 6.1712 6.2112 6.2610 6.3905 6.4378 6.3159 6.5206 6.7523 6.5361 6.8141 6.9074 6.9259 6.8834 6.9104 7.0350 6.9670 7.0876 7.1650 7.1932 7.2074 7.2325 7.2663 7.3348 7.3400 7.3169 7.4162 7.4004 7.4670 7.4607 7.4888 7.4795 10.3371 0.0186 0.0832 0.2474 0.1742 0.0718 0.1257 0.2468 0.0726 1.0492 1.3263 0.7034 0.1326 0.3415 1.2397 0.2872 0.6668 2.6898 2.5884 0.0897 0.0396 0.3442 0.4196 0.2264 0.4150 0.3965 2.6332 0.1001 1.4939 1.3888 3.6115 0.1881 2.0719 0.2972 5.5166 0.7628 2.8355 6.0872 0.0051 0.0071 0.0725 4.0977 1.7641 20.8607 4.5432 27.6595 1.5782 9.7491 11.5015 4.1589 3.8112 0.3283 0.0327 9.9034 22.6344 91.9488 1.1079 65.7581 3.1099 27.0589 3.5309 28.8639 2.7076 59.7367 13.8629 31.0137 29.6979 26.5113 6.2852 11.5449 40.3358 0.4655 8.8817 0.8808 0.0056 0.9248 19.0172 30.5416 1.6014 6.7149 2.6162 13.0944 0.9661 1.7856 4.7460 0.1723 26.5750 0.0716 1.3250 12.3102 0.0294 3.6695 0.3892 10.1799 0.0773 3.1827 2.9463 5.3223 17.3641 18.3298 6.0674 1.6691 4.0587 81.9480 29.5042 8.1248 26.5569 7.1610 7.6481 30.5444 155.5943 87.3396 87.3096 8.2862 0.4750 217.3372 0.9897 27.7725 19.4708 16.4063 0.9304 3.5308 17.9921 3.3999 106.5028 43.8318 1.0135 123.8254 126.8872 0.4930 45.5361 6.3991 1.7114 29.6003 14.7364 4.3150 46.1037 1.6868 114.0835 6.8269 25.1300 51.5400 29.0147 23.3551 6.8290 2.9514 41.8580 3.2973 1.6036 14.7737 2.2205 1.4709 12.2824 21.0181 70.2639 28.4486 17.4982 0.9715 59.7074 98.1607 2.4521 30.0610 10.8584 116.7508 29.0239 43.1154 342.7169 26.6766 80.6319 83.5060 38.9620 21.5941 38.5551 27.0054 20.0762 26.2551 20.3002 3.6951 21.0288 15.2348 11.3472 47.2420 54.0444 22.1667 11.0430 4.3698 7.2435 0.0232 13.6177 53.6095 36.4613 18.4437 28.0819 38.5299 9.9914 1.0708 3.7017 16.3303 119.4391 2.8333 2.8436 1.9957 5.3777 6.6895 2.8521 5.1514 3.7183 0.7875 0.4649 0.4395 2.9721 3.9250 0.8120 0.8893 0.3650 0.8946 0.3650 0.5028 3.6154 1.6380 1.8607 1.3954 2.1187 1.6292 1.8012 3.3418 0.8787 2.3248 1.2109 0.4767 2.3839 0.0891 0.5550 0.9378 2.2900 0.5935 0.0612 0.0424 0.6835 0.6013 2.5312 2.7085 1.9021 3.2082 0.4907 0.9493 3.2131 1.2588 1.5622 7.4838 4.6080 1.4940 4.1391 1.0491 4.3573 1.9088 2.2401 1.9937 0.7399 0.4937 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61 62 63 64 65 66 67 68 6 6 8 6 6 6 6 6 6 6 7 6 6 6 8 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 8 8 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 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 13374.5224 56093.9738 61103.2678 1.00000 -0.00209 0.00211 0.00208 0.99999 0.00352 -0.00212 -0.00352 0.99999 1 0.00648 0.00154 0.00142 0.13494 0.03217 0.02954 8.93 11.69 20.29 25.87 31.10 33.43 41.02 58.54 66.63 74.44 89.88 96.72 101.17 130.45 155.20 165.89 187.24 200.10 217.83 238.50 284.57 299.76 315.09 338.94 355.15 357.35 375.92 398.10 435.86 456.63 484.48 524.17 530.58 538.17 551.46 601.06 623.81 652.43 655.87 693.39 724.26 754.16 779.41 794.27 814.47 824.64 834.21 905.65 923.16 925.83 973.52 980.76 986.59 1010.68 1016.37 1051.35 1054.55 1092.04 1106.23 1112.14 1122.91 1152.69 1163.38 1186.52 1210.82 1254.77 1258.79 1272.29 1274.09 1284.99 1331.37 1372.93 1377.27 1384.95 1417.16 1446.81 1458.39 1481.94 1487.50 1527.22 1529.07 1557.92 1559.57 1567.11 1570.42 1572.74 1578.87 1580.07 1588.79 1599.16 1606.33 1614.98 1620.26 1627.53 1628.11 1633.79 1651.04 1659.78 1671.08 1689.37 1703.41 1704.33 1717.75 1741.83 1748.04 1761.91 1765.34 1782.04 1808.62 1830.48 1833.13 1854.90 1870.93 1872.80 1882.15 1901.82 1905.78 1908.64 1924.12 1933.67 1969.59 1969.75 2010.92 2045.61 2053.34 2054.27 2066.44 2071.68 2083.20 2088.11 2105.22 2110.01 2127.35 2128.92 2142.13 2178.71 2194.01 2234.71 2267.26 2274.74 2280.18 2303.74 2324.72 2328.92 2331.72 2332.09 2343.21 2347.12 2354.34 2355.02 2368.68 2381.06 2388.45 2392.19 2402.63 2404.94 2419.34 2545.17 2566.57 2568.09 2588.54 2607.10 2611.06 2623.49 2686.12 2937.88 4491.14 4505.13 4525.65 4600.83 4618.14 4619.53 4625.01 4646.75 4650.18 4691.16 4692.45 4696.65 4701.48 4723.98 4726.27 4729.03 4757.11 4812.30 4817.39 4824.19 4834.45 4835.35 4850.11 4852.87 4853.06 4869.49 4871.34 4895.03 4898.79 4901.16 4902.12 5839.17 0.607936 0.639501 0.640445 0.534832 -1562.444368 -1562.412804 -1562.411859 -1562.517472 3.542277D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2020 DUDE Cc2oc(c1ccccc1)nc2CCOc4cccc(CN(CCCc3ccccc3)CC(O)=O)c4 412987 CHEMBL428748 RHF 6-31G(d) (6D,10F) C1 484.236208 |X|Y|Z| 71.606136 49.918789 167.142830 84.223640 31 6 7 8 27 2 2 |36.858105| |12.804788|36.858105| |7.836119|13.969681|73.516695| |5.376307|8.867316|25.406303|36.858105| |3.947571|5.377420|14.056726|12.964557|36.858105| |3.686071|4.575920|12.004333|7.654187|13.707228|36.858105| |2.912020|3.436652|8.052575|5.072077|7.927383|13.756762|36.858105| |2.556982|3.035415|6.734494|4.488097|6.864172|7.936956|13.756160|36.858105| |2.638986|3.237341|7.039206|5.092896|7.929373|6.870862|7.936665|13.729237|36.858105| |3.171520|4.130637|9.233639|7.715342|13.685907|7.918522|6.870181|7.936832|13.785946|36.858105| |5.154563|8.597888|15.523230|14.960165|7.727201|5.160568|3.916755|3.722520|4.410433|6.481678|53.358707| |7.271624|14.243010|15.585150|9.002027|5.344777|4.176538|3.247495|3.012892|3.372808|4.450877|18.636646|36.858105| |5.632756|7.396978|9.282913|5.383409|3.865224|3.164911|2.613451|2.497469|2.800392|3.513719|10.320547|12.728951|36.858105| |4.293284|5.285002|7.503561|4.539737|3.503792|2.883786|2.445715|2.386426|2.702723|3.333415|8.394576|7.615357|12.514327|36.858105| |3.536998|3.996253|5.837362|3.447657|2.812191|2.390632|2.082213|2.049274|2.295878|2.731098|5.937237|5.153581|8.096170|13.567612|73.516695| |2.905560|3.209522|4.912372|2.915724|2.481226|2.141861|1.903892|1.894602|2.116811|2.459762|4.819548|3.911485|5.230964|7.977730|25.107200|36.858105| |2.709870|3.023437|4.784258|2.879140|2.505768|2.165944|1.941814|1.947330|2.182531|2.516802|4.673276|3.615782|4.399331|6.706602|13.995587|13.729436|36.858105| |2.278459|2.484079|4.021435|2.401976|2.154790|1.899694|1.734902|1.751300|1.944572|2.185941|3.768748|2.863635|3.339252|4.507675|9.259568|7.966010|13.725822|36.858105| |2.079017|2.223178|3.588716|2.119056|1.909937|1.702045|1.563486|1.576471|1.736905|1.933334|3.293331|2.529659|2.977821|3.785090|8.218235|6.864760|7.899930|13.798185|36.858105| |2.163147|2.293725|3.641357|2.133279|1.898845|1.690140|1.543383|1.548028|1.703164|1.907016|3.342951|2.624415|3.199481|3.972846|9.403656|7.902893|6.825126|7.938260|13.674392|36.858105| |1.908198|1.990997|3.187622|1.852493|1.668840|1.503841|1.385040|1.389676|1.516388|1.676585|2.853831|2.232837|2.665449|3.104616|7.003265|5.008972|4.421927|5.025136|7.550166|12.552121|36.858105| |1.939494|1.984220|3.144878|1.800051|1.611253|1.462166|1.341907|1.335211|1.445531|1.599256|2.754718|2.196703|2.637244|2.961797|6.691740|4.431651|3.743372|3.948547|5.169813|7.658996|13.118309|53.358707| |1.736754|1.769117|2.833425|1.620683|1.466122|1.339602|1.238241|1.234893|1.331616|1.460223|2.455244|1.938936|2.282804|2.482190|5.395571|3.397794|2.956893|3.103126|3.870512|5.061347|7.844702|17.774630|36.858105| |1.744750|1.789732|2.869216|1.649984|1.493206|1.359229|1.256829|1.257206|1.360669|1.493508|2.511146|1.975015|2.335644|2.484440|5.396031|3.276319|2.797858|2.844118|3.405932|4.402487|5.975599|10.450203|12.478866|36.858105| |1.552556|1.583956|2.567551|1.473015|1.347737|1.237285|1.152478|1.154280|1.242164|1.350364|2.213794|1.725763|1.994058|2.082960|4.361668|2.595786|2.289458|2.336052|2.722834|3.288842|4.200174|6.750328|7.500989|12.408054|36.858105| |1.524343|1.561850|2.543500|1.464190|1.344733|1.234172|1.152228|1.156967|1.246331|1.352057|2.198315|1.702960|1.955807|2.005347|4.139555|2.402760|2.120039|2.125825|2.408124|2.850878|3.403899|5.163894|4.891077|7.497968|12.582433|36.858105| |1.443430|1.492999|2.454988|1.425166|1.320385|1.210599|1.136745|1.149090|1.241485|1.339686|2.137460|1.632727|1.856053|1.910138|3.891400|2.268581|2.035859|2.054619|2.311392|2.672018|3.132069|4.462060|4.007253|5.575393|7.535342|13.707469|36.858105| |1.401818|1.452940|2.403293|1.397672|1.301791|1.195729|1.126488|1.141085|1.231949|1.324343|2.087757|1.584709|1.783427|1.808343|3.623047|2.074315|1.871286|1.866340|2.053379|2.332570|2.625832|3.697315|3.153125|4.123345|5.004087|7.885302|13.743979|36.858105| |1.430787|1.473840|2.431950|1.406094|1.306100|1.203109|1.131044|1.140694|1.227124|1.320865|2.093610|1.598760|1.796205|1.788667|3.562609|2.000013|1.790775|1.760750|1.912908|2.175928|2.402953|3.456623|2.899263|3.741905|4.418745|6.809942|7.933010|13.759077|36.858105| |1.509451|1.539941|2.517898|1.443535|1.329662|1.226246|1.146301|1.148413|1.231823|1.332736|2.150702|1.664512|1.886126|1.865777|3.749244|2.089345|1.846435|1.803961|1.965436|2.267933|2.517604|3.751224|3.184354|4.186937|5.007975|7.886888|6.897724|7.963060|13.744994|36.858105| |1.561438|1.587613|2.577202|1.473750|1.349417|1.242218|1.157066|1.156558|1.241355|1.348349|2.204958|1.720164|1.972306|1.977933|4.048345|2.288007|2.003863|1.972228|2.188014|2.575886|2.952750|4.556341|4.070294|5.732256|7.542261|13.693273|7.980524|6.895661|7.931518|13.758384|36.858105| |1.957092|1.968393|3.111905|1.758348|1.571934|1.438308|1.318157|1.302428|1.398862|1.544975|2.661298|2.142589|2.539566|2.849948|6.263164|4.097738|3.587720|3.800788|4.793984|6.261657|7.935002|18.023724|7.853403|5.146851|3.886885|3.081349|2.686064|2.291092|2.182609|2.377627|2.827593|36.858105| |2.045630|2.012092|3.149673|1.752485|1.556696|1.433457|1.308094|1.281752|1.367303|1.512302|2.633911|2.157596|2.557344|2.764201|5.981364|3.642935|3.129647|3.140472|3.652613|4.548908|5.120418|10.528248|6.173112|4.647972|3.688187|3.000677|2.553550|2.214860|2.168060|2.420709|2.883227|12.594661|36.858105| |2.013479|1.951898|3.067018|1.689993|1.506023|1.398877|1.277877|1.245991|1.319651|1.454023|2.508850|2.057035|2.386653|2.571456|5.359725|3.233350|2.891261|2.914754|3.283532|3.808519|4.053918|7.172332|4.452749|3.528092|2.980227|2.500880|2.177244|1.923256|1.891413|2.090838|2.428867|8.148602|14.290661|73.516695| |2.085367|2.041655|3.180633|1.764803|1.562748|1.438666|1.310599|1.282403|1.367674|1.515023|2.655544|2.188384|2.611768|2.739239|5.936228|3.463190|2.907334|2.840192|3.230249|4.049640|4.528902|9.189262|6.082645|5.090153|4.045000|3.329738|2.749906|2.390362|2.381719|2.728169|3.301928|7.865680|16.066980|15.335883|73.516695| |2.521894|2.697693|4.177813|2.446109|2.125311|1.868789|1.682988|1.677795|1.855534|2.114156|3.925956|3.166954|4.097047|5.251945|14.601523|13.690036|7.913471|6.909237|7.950095|13.775096|7.562359|8.817347|4.514801|4.255106|3.171234|2.843094|2.635916|2.345513|2.236185|2.357489|2.652537|5.462338|4.537989|6.701002|7.591202|36.858105| |17.552933|8.938975|12.382857|4.854793|3.756971|3.634198|2.898410|2.519055|2.558355|3.020141|6.116578|5.778220|4.635906|3.572986|5.432864|2.551965|2.377288|2.035197|1.881228|1.964108|1.760324|2.446959|1.631910|1.652085|1.485578|1.470314|1.394467|1.363862|1.401086|1.478170|1.517027|1.806333|1.897458|3.316646|3.468765|2.266129|0.500000| |17.606836|8.976963|10.150710|4.461705|3.369646|3.102538|2.532228|2.279997|2.379341|2.831445|6.286095|6.739263|6.191673|4.626345|7.009240|3.172867|2.875976|2.403644|2.214775|2.341634|2.064334|2.894091|1.890865|1.895600|1.673544|1.635089|1.533979|1.481798|1.515745|1.613025|1.680571|2.156662|2.287209|3.995635|4.172465|2.772361|0.301107|0.500000| |17.552131|8.937096|12.381626|4.852987|3.756249|3.637946|2.900397|2.518946|2.556678|3.017275|6.112624|5.771493|4.630423|3.879489|5.729564|2.736891|2.618066|2.227609|2.021851|2.074551|1.830700|2.524699|1.659149|1.648469|1.471858|1.436149|1.361496|1.318318|1.339794|1.410626|1.463608|1.894428|1.975056|3.506450|3.537856|2.378819|0.301583|0.301059|0.500000| |4.158109|4.960126|13.602501|7.052849|8.911923|17.745130|8.918588|5.647334|4.953055|5.638656|6.524086|4.195063|3.155411|2.827089|4.183622|2.097623|2.104828|1.846491|1.662538|1.658815|1.480442|1.975303|1.329324|1.344788|1.224958|1.219254|1.189678|1.173365|1.184736|1.213939|1.231921|1.437480|1.444506|2.519673|2.580889|1.837926|0.116130|0.094150|0.116425|0.500000| |2.707172|3.069559|6.992828|4.123706|5.643249|8.930682|17.719408|8.912715|5.643267|4.950695|4.472751|2.846974|2.336788|2.190162|3.362976|1.740460|1.772779|1.598649|1.450449|1.432488|1.294432|1.714301|1.166751|1.181772|1.088815|1.088177|1.072579|1.063673|1.069722|1.085202|1.094611|1.242673|1.237686|2.159467|2.204543|1.553149|0.075876|0.065583|0.075962|0.215387|0.500000| |2.243034|2.594139|5.569140|3.580916|4.947281|5.645602|8.916302|17.715655|8.906619|5.646526|4.199583|2.576059|2.193084|2.115376|3.285443|1.727734|1.780104|1.621504|1.468900|1.439003|1.301091|1.700844|1.161709|1.182256|1.091457|1.095239|1.091136|1.085720|1.084291|1.088333|1.093784|1.219400|1.198622|2.074663|2.130306|1.545786|0.061711|0.056212|0.061710|0.124177|0.214865|0.500000| |2.343316|2.825271|5.880374|4.142519|5.643197|4.951073|5.644641|8.905052|17.719723|8.940130|5.213244|2.999577|2.585237|2.542199|3.909302|2.056049|2.131712|1.921181|1.721253|1.680647|1.501724|1.936314|1.315450|1.347145|1.233301|1.240195|1.243089|1.236074|1.226260|1.223506|1.230337|1.369589|1.330432|2.276042|2.363214|1.815476|0.063058|0.059737|0.063002|0.107528|0.124075|0.214725|0.500000| |3.113068|4.097603|8.508120|7.170451|8.932445|5.646594|4.952923|5.639853|8.902441|17.746981|9.883233|4.746039|3.871623|3.747826|5.416768|2.736714|2.801226|2.405531|2.113673|2.085461|1.817733|2.340348|1.563840|1.606093|1.443272|1.446292|1.437053|1.418775|1.409493|1.418230|1.436479|1.645908|1.599264|2.712043|2.848011|2.326985|0.081241|0.079033|0.081115|0.124252|0.107526|0.124016|0.214702|0.500000| |6.256580|6.935947|8.396104|4.487548|3.344076|2.862797|2.386482|2.254150|2.466969|3.003717|7.618323|8.931186|17.579017|8.917452|13.182884|4.927547|4.041976|3.154144|2.885461|3.160243|2.676199|3.711075|2.355231|2.394687|2.041489|1.990341|1.862299|1.782054|1.808276|1.924767|2.026532|2.670824|2.768287|4.615372|5.080600|4.059340|0.140731|0.218283|0.139532|0.081225|0.060324|0.055576|0.063380|0.089313|0.500000| |4.629734|5.846650|8.067235|4.870174|3.665916|2.994497|2.517012|2.444735|2.770344|3.450138|9.265743|8.973783|17.559279|8.939639|13.173250|4.940408|4.059087|3.165334|2.892637|3.165702|2.684131|3.613923|2.332215|2.446159|2.089993|2.081708|1.984671|1.922213|1.944629|2.035912|2.110199|2.492365|2.501681|4.079293|4.613522|4.063532|0.113766|0.138762|0.106375|0.081712|0.062452|0.059946|0.071975|0.107729|0.303052|0.500000| |3.764998|4.793696|7.353924|4.784188|3.793587|3.030121|2.590295|2.582016|3.006178|3.765480|9.222872|6.929049|8.851932|17.580571|16.493610|7.077218|6.798128|4.608931|3.756560|3.799727|2.976227|3.756675|2.346302|2.365857|2.002226|1.942330|1.878847|1.788635|1.756567|1.807801|1.900956|2.616209|2.488045|4.113592|4.367366|4.781731|0.089480|0.107535|0.095894|0.080334|0.063584|0.063295|0.079297|0.122651|0.174230|0.213999|0.500000| |4.500451|5.343483|7.603440|4.420105|3.440289|2.894549|2.449107|2.360504|2.628819|3.204357|7.590013|6.905662|8.833842|17.538845|16.513729|7.052643|6.748658|4.587221|3.746381|3.792667|2.965724|3.865878|2.368893|2.317335|1.957905|1.865587|1.772204|1.672165|1.652107|1.726515|1.837032|2.826290|2.750709|4.668683|4.756553|4.776027|0.100946|0.134272|0.118266|0.079901|0.061357|0.058215|0.068195|0.097235|0.212642|0.174187|0.300663|0.500000| |2.905738|3.326444|5.323482|3.253694|2.819686|2.407786|2.143150|2.148996|2.425889|2.831992|5.314845|4.016175|4.669543|7.425181|12.479721|8.858381|17.763873|8.933043|5.643005|4.930869|3.540738|4.225561|2.540984|2.434813|2.040072|1.915534|1.850758|1.723687|1.660821|1.706467|1.829402|3.025718|2.727890|4.579686|4.558581|5.622869|0.069993|0.084011|0.078671|0.064617|0.053944|0.054154|0.065415|0.087917|0.115163|0.115740|0.226849|0.224328|0.500000| |2.143578|2.338264|3.858819|2.312535|2.111597|1.874129|1.726872|1.751678|1.940388|2.157060|3.565812|2.654817|2.978621|3.905171|7.460573|5.664442|8.947936|17.708949|8.940544|5.644578|4.094981|4.505733|2.705282|2.486522|2.097020|1.921580|1.874290|1.715738|1.618212|1.647449|1.786287|3.252760|2.738556|4.629372|4.413272|4.970130|0.053376|0.061949|0.058905|0.050429|0.044287|0.045259|0.053501|0.065566|0.077847|0.078123|0.113690|0.113176|0.216867|0.500000| |1.868538|1.982548|3.240296|1.907980|1.744309|1.570029|1.455766|1.471996|1.612344|1.772132|2.919042|2.220329|2.550627|3.129108|6.517084|4.946964|5.631179|8.930921|17.707148|8.877524|6.995988|6.507230|3.760987|3.240878|2.659173|2.331405|2.257192|1.996296|1.843513|1.882015|2.095819|4.526020|3.403320|5.536228|5.306241|5.646833|0.047369|0.054932|0.050805|0.042604|0.037706|0.038359|0.044601|0.053446|0.068993|0.069143|0.086996|0.086810|0.124289|0.215658|0.500000| |1.832170|1.927329|3.107067|1.820479|1.650061|1.483168|1.371539|1.384291|1.516667|1.672100|2.810281|2.172544|2.582599|2.961927|6.601582|4.556486|4.023877|4.461926|6.208984|8.981863|17.588173|12.596188|7.606915|6.824159|4.705289|3.854867|3.635212|2.988838|2.668663|2.750386|3.228812|5.755071|4.229084|6.044656|7.081941|6.519775|0.047286|0.054704|0.048538|0.040366|0.035554|0.036068|0.041954|0.050601|0.071144|0.073766|0.080399|0.077013|0.091500|0.103466|0.163386|0.500000| |1.762808|1.832345|2.964442|1.720523|1.565772|1.420799|1.316830|1.323287|1.437715|1.576345|2.620211|2.031367|2.369536|2.749895|5.944723|4.189197|3.980895|4.791128|7.323737|8.892171|17.423075|12.260333|6.701524|4.935330|3.800378|3.073971|2.877132|2.422966|2.204793|2.287967|2.658341|7.215352|4.618577|6.893039|7.048904|5.611439|0.045282|0.052574|0.047427|0.038854|0.034307|0.034569|0.039656|0.047226|0.065947|0.065678|0.074029|0.074443|0.090705|0.113798|0.224525|0.304052|0.500000| |1.603881|1.639715|2.653159|1.523596|1.391050|1.274640|1.185317|1.186824|1.278822|1.393206|2.295673|1.791405|2.076946|2.271396|4.833228|3.078928|2.780828|3.005975|3.796259|4.682197|7.415713|12.277225|17.411081|8.790736|6.887932|4.550551|3.940287|3.075623|2.757295|2.941373|3.668501|6.489804|4.941451|6.915321|8.282445|3.961136|0.041936|0.048062|0.042811|0.035044|0.031070|0.031131|0.035242|0.041410|0.058897|0.058781|0.060512|0.060625|0.066797|0.074129|0.107277|0.208651|0.204459|0.500000| |1.703940|1.713214|2.740418|1.552974|1.404767|1.292106|1.194233|1.185310|1.270225|1.389944|2.333714|1.855008|2.167346|2.319715|4.961480|3.046840|2.669449|2.766756|3.340351|4.186361|5.750090|12.519120|17.612268|8.960874|6.934793|4.588796|3.656532|2.940682|2.776205|3.122411|4.022568|7.749722|7.174815|9.009789|13.032118|3.886081|0.044646|0.051728|0.045345|0.035797|0.031379|0.031006|0.034744|0.041076|0.062934|0.061105|0.060386|0.062131|0.064769|0.067939|0.090475|0.148913|0.145590|0.303351|0.500000| |1.883526|1.921986|3.049544|1.744020|1.563964|1.421333|1.306477|1.300656|1.406976|1.553598|2.664256|2.123438|2.546726|2.661962|5.853622|3.439244|2.850529|2.807422|3.271360|4.268611|5.289908|9.635729|8.950208|17.570341|8.809869|6.838998|4.972025|3.938675|3.788735|4.447360|6.130423|5.048712|4.974031|6.572465|10.521973|4.445072|0.049583|0.057387|0.049054|0.039193|0.034096|0.033857|0.038505|0.046378|0.073524|0.074594|0.069338|0.068409|0.069219|0.067762|0.084297|0.157863|0.119174|0.173848|0.217122|0.500000| |1.758514|1.829383|2.945094|1.712193|1.553143|1.404503|1.300381|1.308563|1.425939|1.566843|2.625059|2.042477|2.421891|2.607184|5.693054|3.507927|2.997617|3.060619|3.691697|4.804600|6.470152|9.452544|8.801920|17.537814|8.859858|6.910362|5.926507|4.377304|3.815401|4.043415|5.167049|4.599352|3.990230|5.572870|7.487868|4.592862|0.046155|0.052729|0.046044|0.038372|0.033833|0.034165|0.039391|0.047153|0.067769|0.071181|0.070029|0.066712|0.071953|0.073883|0.097000|0.237408|0.144110|0.207908|0.174277|0.303734|0.500000| |1.457358|1.491502|2.435112|1.401620|1.291123|1.187510|1.111245|1.116692|1.201321|1.299478|2.099141|1.622461|1.856493|1.958151|4.058593|2.451560|2.210052|2.298997|2.703088|3.186887|4.142703|6.281568|6.888709|8.831742|17.525673|8.919571|7.196200|4.742873|3.978187|4.209203|5.651943|3.680957|3.362325|4.956312|6.271640|2.969266|0.038705|0.043362|0.038590|0.032587|0.029191|0.029418|0.033249|0.038565|0.052398|0.053753|0.052768|0.051450|0.054774|0.057890|0.074993|0.130756|0.108796|0.208042|0.171712|0.173263|0.211380|0.500000| |1.526105|1.540535|2.493453|1.419204|1.297619|1.197852|1.115271|1.112055|1.190283|1.292286|2.119539|1.662420|1.911268|1.980657|4.114406|2.425942|2.147060|2.182811|2.519965|3.009447|3.766475|6.309936|6.916612|8.848299|17.525819|8.917329|5.705451|4.229871|3.978020|4.713753|7.090425|3.881949|3.874063|5.598275|7.729425|2.925095|0.040665|0.045840|0.040301|0.033089|0.029365|0.029228|0.032723|0.038151|0.054928|0.055208|0.052467|0.052190|0.053498|0.054729|0.068500|0.111017|0.096479|0.172821|0.210276|0.211562|0.173872|0.303853|0.500000| |1.403087|1.457009|2.404972|1.401520|1.303441|1.194345|1.124489|1.140427|1.234031|1.328322|2.102004|1.596109|1.808642|1.887191|3.840932|2.278862|2.072475|2.125879|2.418116|2.766818|3.299008|4.544096|4.090573|5.418422|6.992009|8.915057|17.692023|8.931631|5.648104|4.962877|5.660053|2.716921|2.512271|3.825958|4.697904|2.656967|0.037513|0.041281|0.036925|0.032524|0.029460|0.030127|0.034433|0.039642|0.050103|0.053402|0.051919|0.048827|0.052147|0.054077|0.066494|0.108714|0.085663|0.117281|0.100998|0.126630|0.168149|0.217321|0.145008|0.500000| |1.337662|1.393192|2.321277|1.356432|1.272467|1.169587|1.107237|1.126817|1.217744|1.302371|2.020773|1.519403|1.694672|1.723264|3.416261|1.961826|1.792984|1.796152|1.963597|2.193250|2.439539|3.353360|2.801181|3.510790|4.085956|5.626430|8.922080|17.707963|8.913982|5.653273|4.963050|2.098135|2.009687|3.138789|3.801391|2.190101|0.036184|0.039034|0.035020|0.031776|0.029044|0.029870|0.034097|0.038780|0.046677|0.050708|0.047784|0.044317|0.046132|0.046225|0.053349|0.077225|0.063280|0.077310|0.072254|0.092332|0.105598|0.112665|0.097504|0.215999|0.500000| |1.383552|1.426636|2.368063|1.370355|1.279761|1.182056|1.115049|1.126210|1.209548|1.296585|2.030458|1.541834|1.714565|1.693468|3.327821|1.853555|1.671939|1.637272|1.757936|1.973981|2.141278|3.047660|2.499033|3.107913|3.536547|4.918890|5.640444|8.905404|17.713584|8.900921|5.640510|1.955034|1.948706|3.062297|3.782684|2.037708|0.037836|0.040502|0.035968|0.032305|0.029332|0.029803|0.033627|0.038348|0.047786|0.051676|0.046402|0.043470|0.043450|0.042062|0.047076|0.065466|0.054941|0.066397|0.066812|0.087964|0.088484|0.090543|0.090543|0.124174|0.214564|0.500000| |1.517632|1.538405|2.514642|1.433758|1.319944|1.221913|1.141433|1.139501|1.217551|1.316715|2.125710|1.651227|1.860618|1.814529|3.610727|1.984578|1.754480|1.700120|1.831739|2.099630|2.289666|3.425483|2.840141|3.580826|4.089176|5.626794|4.964187|5.654088|8.910236|17.708875|8.928090|2.219830|2.303344|3.579111|4.647859|2.207463|0.041551|0.045075|0.039307|0.033707|0.030079|0.029996|0.033495|0.038755|0.053062|0.055811|0.048637|0.046726|0.045377|0.043258|0.048571|0.068284|0.057973|0.072521|0.078711|0.108328|0.095165|0.096908|0.111750|0.107681|0.124157|0.214514|0.500000| |1.615324|1.625781|2.622273|1.487479|1.354764|1.250347|1.160476|1.153713|1.233989|1.343727|2.221155|1.751246|2.014938|2.009289|4.124405|2.315120|2.013982|1.971859|2.184116|2.586068|2.954480|4.728832|4.214702|5.687009|7.005587|8.911977|5.661108|4.961955|5.646438|8.933826|17.694063|2.998094|3.172358|4.719754|6.679594|2.688594|0.043601|0.048641|0.042063|0.034607|0.030545|0.030260|0.033819|0.039622|0.058271|0.059472|0.053026|0.052114|0.051071|0.049494|0.057870|0.087258|0.073713|0.102317|0.121331|0.181688|0.133534|0.143027|0.210839|0.124247|0.107664|0.124157|0.216027|0.500000| 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