Version2.1 2021-01-08T13:01:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=C)c1ccc(cc1)NC(=O)[C@H]2CC(=O)Nc3c2c(=O)[nH]c(n3)N4CCCC[C@@H]4C C40389025 RHF 6-31G(d) (6D,7F) CCOC(=C)c1ccc(cc1)NC(=O)[C@H]2CC(=O)Nc3c2c(=O)[nH]c(n3)N4CCCC[C@@H]4C C01[X(C24H29N5O4)] 180 C1 553 CCOC(=C)c1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2c1c(=O)[nH]c(n2)N1CCCC[C@@H]1C CCOC(=C)c1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2c1c(=O)[nH]c(n2)N1CCCC[C@@H]1C CCOC(=C)c1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)NC(=N3)N4CCCC[C@@H]4C)cc1 InChIKey=YYTSMKUZDQXSLX-KSSFIOAISA-N InChI=1S/C24H29N5O4/c1-4-33-15(3)16-8-10-17(11-9-16)25-22(31)18-13-19(30)26-21-20(18)23(32)28-24(27-21)29-12-6-5-7-14(29)2/h8-11,14,18H,3-7,12-13H2,1-2H3,(H,25,31)(H2,26,27,28,30,32)/t14-,18-/m0/s1 InChI=1/C24H29N5O4/c1-4-33-15(3)16-8-10-17(11-9-16)25-22(31)18-13-19(30)26-21-20(18)23(32)28-24(27-21)29-12-6-5-7-14(29)2/h8-11,14,18H,3-7,12-13H2,1-2H3,(H,25,31)(H2,26,27,28,30,32)/t14-,18-/m0/s1/f/h25-26,28H CCOC(=C)c1ccc(cc1)NC(=O)[C@H]2CC(=O)Nc3c2c(=O)[nH]c(n3)N4CCCC[C@@H]4C C01[X(C24H29N5O4)] 180 C01 553 CCOC(=C)c1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2c1c(=O)[nH]c(n2)N1CCCC[C@@H]1C CCOC(=C)[C]1[CH][CH][C]([CH][CH]1)NC(=O)[C@H]1CC(=O)N[C]2[C]1[C](=O)N[C]([N]2)[N@@]1CCCC[C@@H]1C CCOC(=C)[C]1[CH][CH][C]([CH][CH]1)NC(=O)[C@H]2CC(=O)N[C]3[N][C](NC(=O)[C]23)N4CCCC[C@@H]4C InChIKey=YYTSMKUZDQXSLX-KSSFIOAISA-N InChI=1S/C24H29N5O4/c1-4-33-15(3)16-8-10-17(11-9-16)25-22(31)18-13-19(30)26-21-20(18)23(32)28-24(27-21)29-12-6-5-7-14(29)2/h8-11,14,18H,3-7,12-13H2,1-2H3,(H,25,31)(H2,26,27,28,30,32)/t14-,18-/m0/s1 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24.9759 40.4805 45.3274 49.1136 61.2946 76.2199 81.5034 93.6074 97.1126 114.2078 127.5609 142.0327 142.7381 161.2599 180.9788 196.1787 223.5924 232.1763 248.1587 257.6806 272.9592 280.2599 289.4173 306.3561 328.8573 333.6850 350.2500 374.5076 383.1974 394.6395 421.5815 425.6787 444.8706 452.5557 461.9868 488.1158 503.2292 516.3641 537.2774 554.9718 585.0607 589.1409 606.6267 616.3110 630.4000 673.9571 675.8966 692.2355 709.0029 711.9183 719.3415 731.6357 750.4185 784.7684 792.2745 794.0548 822.1776 829.4595 835.8230 842.3938 862.9363 875.6115 900.7239 905.2782 907.8018 921.0249 925.4335 943.8896 956.2044 964.3846 971.3404 975.9411 983.7169 997.7523 1011.4060 1035.2589 1064.3929 1071.7804 1093.1273 1101.0815 1110.9760 1112.2733 1113.8423 1136.4068 1146.5380 1155.7083 1188.7430 1200.6660 1213.8003 1214.3395 1235.1041 1242.8731 1262.1126 1267.5250 1281.2679 1291.2146 1302.1280 1306.7549 1310.8717 1315.5901 1316.2852 1331.0463 1361.6693 1372.9996 1394.7822 1400.8805 1415.1457 1419.8386 1429.2462 1445.3395 1455.5938 1468.9671 1471.4944 1490.8139 1493.4866 1506.6352 1509.4513 1528.9172 1530.1438 1538.6917 1545.4687 1547.7835 1559.4893 1562.8650 1580.9123 1585.4067 1593.9309 1603.9840 1623.5028 1629.8094 1630.2673 1634.0343 1637.0733 1645.3538 1648.5049 1651.0701 1658.9068 1681.1306 1691.4223 1693.3566 1731.8303 1766.7010 1802.2174 1804.5866 1819.2648 1852.6785 1902.4548 1958.7177 2021.9162 3187.8303 3199.9176 3203.6142 3206.8558 3215.6501 3215.8838 3216.5689 3221.9806 3237.2333 3246.3983 3246.4272 3251.4810 3254.8454 3269.6480 3273.5814 3279.4560 3293.4153 3312.4059 3334.1345 3345.7409 3355.6594 3376.8986 3385.8750 3407.5460 3454.5312 3460.2995 3808.9480 3861.1845 3876.0038 4.7595 3.8670 3.5864 4.9291 5.1281 4.6111 5.4648 6.2720 4.7092 3.2912 8.4812 4.9002 2.6104 5.0610 4.1141 2.5979 4.4479 4.4838 4.1354 6.5783 1.5086 3.3561 2.5396 1.4160 3.8999 2.6013 3.2576 4.1652 2.4133 4.0812 5.1747 4.4798 3.6748 5.7889 5.9017 3.0835 3.0824 3.2732 4.0149 4.2792 5.4634 2.9907 2.7958 2.8864 2.0137 4.1466 2.9770 1.9753 1.9065 4.6372 2.3623 2.9557 2.2885 3.4970 1.4752 4.5040 1.4398 4.0053 3.0268 4.4070 4.3334 4.4824 5.3694 3.3698 5.7989 1.0940 1.5404 4.3853 2.9324 1.3371 1.3762 1.8354 2.4876 1.8218 1.6381 3.8574 3.8911 2.4607 1.7202 2.4692 1.3643 1.2723 2.9893 1.4519 2.5790 2.3244 1.8222 2.6806 2.3512 3.2376 2.6176 2.2835 2.3377 1.8959 2.5415 3.0735 2.2467 3.2602 1.5306 1.5417 2.1619 1.8541 1.2826 2.3381 1.6330 2.2898 1.8075 1.7947 1.3416 2.0387 1.0971 2.3001 1.7932 1.2553 2.3388 2.1686 1.7556 1.9471 1.6447 1.4322 1.6117 1.4190 1.2858 1.4948 1.2891 2.3774 1.4087 1.4421 1.3367 1.1012 3.0400 1.0414 1.1388 1.0870 1.0553 1.0576 1.1182 1.0610 1.1303 1.1070 3.7413 2.2974 2.8505 4.5022 7.8147 2.4913 5.1834 5.0558 8.4610 7.6303 9.9198 1.0716 1.0808 1.0639 1.0514 1.0597 1.0421 1.0727 1.0524 1.0874 1.1082 1.0942 1.0854 1.0863 1.1011 1.1023 1.1023 1.1052 1.0988 1.0937 1.0974 1.0914 1.0659 1.0873 1.0935 1.1169 1.0936 1.0800 1.0788 1.0790 0.0003 0.0007 0.0013 0.0048 0.0062 0.0066 0.0121 0.0215 0.0184 0.0170 0.0471 0.0377 0.0250 0.0602 0.0494 0.0398 0.0858 0.1017 0.1218 0.2089 0.0547 0.1313 0.1115 0.0655 0.1925 0.1438 0.2076 0.2732 0.1744 0.3373 0.4477 0.4111 0.3848 0.6180 0.6882 0.3721 0.3876 0.4595 0.5990 0.6722 0.9292 0.5427 0.5638 0.5903 0.4366 0.9280 0.6971 0.5286 0.5132 1.3092 0.6997 0.8826 0.6977 1.1029 0.4894 1.6343 0.5325 1.4880 1.2055 1.7864 1.7837 1.8741 2.3558 1.5222 2.7719 0.5283 0.7479 2.1917 1.4797 0.7018 0.7414 1.0057 1.3828 1.0224 0.9340 2.2625 2.3452 1.5539 1.1482 1.6712 0.9605 0.9088 2.1739 1.0583 1.8852 1.7686 1.4113 2.1095 1.9576 2.7499 2.2722 1.9840 2.1011 1.7255 2.3853 2.9094 2.1730 3.2025 1.5291 1.5511 2.1888 1.8907 1.3093 2.4407 1.7839 2.5433 2.0718 2.0752 1.5829 2.4214 1.3205 2.8310 2.2385 1.5959 2.9837 2.8397 2.3072 2.6041 2.2078 1.9726 2.2233 1.9794 1.8094 2.1099 1.8472 3.4214 2.0744 2.1357 2.0009 1.6692 4.7209 1.6299 1.7832 1.7101 1.6664 1.6869 1.7904 1.7041 1.8326 1.8433 6.3064 3.8813 5.0371 8.2795 14.9546 4.7800 10.1079 10.2244 18.0427 17.2479 23.8936 6.4160 6.5203 6.4335 6.3703 6.4561 6.3497 6.5389 6.4370 6.7141 6.8816 6.7943 6.7611 6.7803 6.9355 6.9595 6.9848 7.0629 7.1032 7.1636 7.2376 7.2407 7.1616 7.3438 7.4806 7.8530 7.7153 9.2317 9.4760 9.5507 0.2740 0.2003 0.4719 0.6149 1.8918 0.8691 0.3943 4.7116 0.6635 2.1901 5.3189 1.6321 0.1830 1.7355 1.3203 0.8634 0.5307 2.3593 3.0056 0.7852 2.1469 1.3409 2.0883 1.2825 2.6905 6.7242 11.3505 0.4807 4.4906 3.3742 2.0506 6.4194 24.8423 6.9171 24.0983 3.6434 1.4283 2.0599 5.9228 0.8826 6.3040 3.9775 18.5215 4.0118 8.4582 5.4264 27.0885 74.4632 48.4783 3.5790 78.6984 4.4969 47.5233 27.1808 106.4328 11.5266 3.0394 10.6711 4.7909 16.7954 8.5302 18.5094 38.2006 20.1802 29.7810 2.3916 7.1344 4.0888 4.7599 46.7082 88.0867 20.7100 13.5291 14.7985 9.7657 16.1465 17.1335 1.9894 2.5425 18.0356 1.0572 5.5884 22.6506 2.4067 0.2050 7.8671 13.8790 0.8692 40.2862 56.0457 34.6165 18.5110 22.1825 14.3083 13.6703 70.3434 2.0291 86.1478 6.1502 2.2416 78.4990 44.0064 11.1303 198.7248 26.1111 18.4757 91.4917 172.5899 60.9439 287.0156 1.5387 4.3146 298.1107 4.6464 244.0102 81.8011 207.9973 16.4544 14.1229 3.4044 40.4111 12.6601 2.1749 7.7316 7.8890 105.0193 29.2842 3.9560 1.3438 11.9183 132.5345 3.6685 13.6002 3.1345 10.0255 2.9353 15.1639 8.0580 22.9379 3.3762 306.5208 71.0600 490.8008 1428.6200 317.9803 301.2021 66.8071 149.1118 775.7684 256.4059 493.0878 21.2101 28.6287 22.2781 23.9829 14.0269 29.4700 15.6533 59.3704 17.6374 22.7466 45.7505 9.6463 78.9193 34.6791 76.3250 45.6790 53.0162 37.4579 3.0325 17.8812 17.7369 0.7018 11.2587 8.0449 15.5915 0.4415 126.6340 93.7714 76.1907 1.5787 5.1680 0.6605 1.8367 2.1970 4.5164 1.6501 0.5518 0.4427 1.1481 0.9798 1.2835 0.9258 0.8525 0.2649 0.4290 0.2804 0.1260 0.5430 2.0841 0.5119 0.2856 1.1541 0.3547 0.8834 1.1746 0.6248 1.7636 1.0166 1.6782 1.5150 0.3331 2.2999 0.9397 1.0993 2.3192 0.4740 1.7391 3.4578 1.6760 0.7584 2.5179 4.4541 1.1954 2.8352 3.0977 7.4899 2.5975 2.7554 6.3548 1.5256 2.1965 4.0165 6.3196 8.2004 3.3931 4.5261 5.8600 7.4514 3.2470 4.7102 2.5489 0.9807 6.3852 8.7015 0.2743 3.7942 17.5301 3.0825 3.9963 3.8592 4.7742 1.6329 6.2419 3.0035 1.7633 5.7668 1.5240 8.4306 5.4552 4.5501 1.4650 2.3675 2.7273 1.9110 3.2395 6.6451 4.2738 10.6635 5.2348 4.3239 2.8587 6.3535 0.9071 6.5634 60.5932 5.3828 1.6787 1.2976 2.7969 1.2841 6.6208 35.7165 2.2538 8.8324 19.8633 20.9877 44.8984 27.3182 22.9350 12.0936 7.0945 34.9579 2.4810 43.3098 0.9321 14.7045 3.0572 1.3664 1.9223 6.0973 0.9785 6.8689 13.6982 2.8992 26.6916 18.5707 4.2091 23.7590 11.7125 24.3785 22.3108 15.5406 16.5917 21.1058 15.0866 1.5802 14.3174 4.8573 4.2944 26.4464 1.6925 25.6993 138.6076 7.4149 38.2626 371.7295 227.8846 15.4236 25.5771 32.3769 56.1884 53.4933 86.5907 22.1117 21.4958 171.8662 96.5623 229.6357 94.9885 59.3636 148.7956 79.8159 117.3197 11.8909 111.7643 89.0317 31.1452 50.0112 84.4327 26.4690 63.2108 63.7300 84.5297 86.3850 70.7488 47.0544 94.8584 59.3565 41.0586 0.7256 0.7404 0.7202 0.7315 0.5977 0.7493 0.7363 0.7339 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14.00307 1.00783 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 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 9599.2667 31438.2648 36727.6677 0.99999 -0.00346 0.00301 0.00350 0.99991 -0.01331 -0.00296 0.01332 0.99991 1 0.00902 0.00276 0.00236 0.18801 0.05741 0.04914 15.15 24.81 35.93 58.24 65.22 70.66 88.19 109.66 117.27 134.68 139.72 164.32 183.53 204.35 205.37 232.02 260.39 282.26 321.70 334.05 357.04 370.74 392.73 403.23 416.41 440.78 473.15 480.10 503.93 538.83 551.34 567.80 606.56 612.46 640.07 651.13 664.70 702.29 724.03 742.93 773.02 798.48 841.77 847.64 872.80 886.73 907.00 969.67 972.46 995.97 1020.10 1024.29 1034.97 1052.66 1079.68 1129.11 1139.91 1142.47 1182.93 1193.41 1202.56 1212.02 1241.57 1259.81 1295.94 1302.49 1306.12 1325.15 1331.49 1358.05 1375.76 1387.53 1397.54 1404.16 1415.35 1435.54 1455.19 1489.51 1531.42 1542.05 1572.77 1584.21 1598.45 1600.31 1602.57 1635.04 1649.61 1662.81 1710.34 1727.49 1746.39 1747.16 1777.04 1788.22 1815.90 1823.69 1843.46 1857.77 1873.47 1880.13 1886.05 1892.84 1893.84 1915.08 1959.14 1975.44 2006.78 2015.55 2036.08 2042.83 2056.37 2079.52 2094.27 2113.52 2117.15 2144.95 2148.79 2167.71 2171.76 2199.77 2201.54 2213.83 2223.58 2226.92 2243.76 2248.61 2274.58 2281.05 2293.31 2307.78 2335.86 2344.93 2345.59 2351.01 2355.38 2367.30 2371.83 2375.52 2386.80 2418.77 2433.58 2436.36 2491.72 2541.89 2592.99 2596.40 2617.52 2665.59 2737.21 2818.16 2909.09 4586.58 4603.97 4609.29 4613.95 4626.60 4626.94 4627.93 4635.71 4657.66 4670.84 4670.88 4678.16 4683.00 4704.29 4709.95 4718.41 4738.49 4765.81 4797.08 4813.77 4828.05 4858.60 4871.52 4902.70 4970.30 4978.60 5480.23 5555.38 5576.70 0.555785 0.584014 0.584958 0.493456 -1496.944218 -1496.915989 -1496.915045 -1497.006548 3.069026D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE CCOC(=C)c1ccc(cc1)NC(=O)[C@H]2CC(=O)Nc3c2c(=O)[nH]c(n3)N4CCCC[C@@H]4C C40389025 RHF 6-31G(d) (6D,10F) C1 451.221955 |X|Y|Z| 65.043763 36.938139 127.587055 67.426263 24 6 7 19 5 |36.858105| |12.570849|36.858105| |8.076198|13.562232|73.516695| |5.230545|7.996577|25.094241|36.858105| |4.436838|6.777271|14.265442|14.356507|36.858105| |4.085722|5.194122|14.475683|12.809954|7.664740|36.858105| |3.214615|3.939310|9.442627|7.582256|6.305420|13.714232|36.858105| |2.717928|3.145038|7.167905|5.022689|4.346245|7.851968|13.762937|36.858105| |2.699039|3.004952|6.851469|4.436946|3.697628|6.787841|7.948115|13.703269|36.858105| |3.162652|3.469868|8.236493|5.050555|3.926714|7.902989|6.934374|7.945428|13.679748|36.858105| |4.018991|4.621365|12.300699|7.618889|5.178853|13.688658|8.002816|6.871483|7.905091|13.811548|36.858105| |2.289681|2.475992|5.382081|3.343945|2.910910|4.524680|5.129967|7.714232|13.549582|7.986109|5.198741|53.358707| |1.998033|2.162687|4.567030|2.853574|2.586882|3.659284|4.312199|6.263035|7.650337|5.171285|3.901584|19.110096|36.858105| |1.937847|2.127583|4.457342|2.845626|2.648226|3.594672|4.477091|6.535203|6.499222|4.442461|3.602329|11.413304|15.873635|73.516695| |1.777169|1.884336|3.888936|2.361148|2.159506|2.893431|3.224986|4.192128|5.029494|4.011910|3.140343|10.728019|12.433664|14.187108|36.858105| |1.800932|1.884840|3.890106|2.319086|2.095425|2.829515|3.076508|3.907091|4.821089|4.033568|3.136120|10.096402|8.918659|10.784985|17.572781|0.500000| |1.588503|1.684545|3.416665|2.075476|1.939414|2.469239|2.781835|3.485762|3.814224|3.118601|2.585201|6.962813|7.551475|12.293745|12.441652|0.247002|36.858105| |1.494766|1.596056|3.205472|1.964394|1.870280|2.301221|2.601288|3.183869|3.347474|2.776537|2.365652|5.697291|5.838273|10.831764|7.435055|0.153371|12.603370|36.858105| |1.408087|1.506425|2.998011|1.839933|1.774360|2.121401|2.408862|2.881090|2.920038|2.449866|2.140774|4.723162|4.592606|9.098066|5.223754|0.117871|7.970194|16.010082|73.516695| |1.496324|1.596783|3.201190|1.959662|1.867119|2.289674|2.542763|3.071049|3.295825|2.799264|2.382336|5.553656|5.327506|9.323497|6.707534|0.139743|7.789929|13.781089|15.153029|53.358707| |1.582674|1.679980|3.389425|2.060059|1.935530|2.430894|2.642289|3.199861|3.614800|3.131761|2.602850|6.288210|5.687039|8.911623|7.608723|0.159681|6.735428|7.806283|9.663611|18.967524|36.858105| |1.722704|1.820670|3.725499|2.251415|2.071600|2.717884|2.938686|3.661787|4.412485|3.771950|2.993040|8.506797|7.639156|10.217558|12.599513|0.249354|7.627907|6.654347|8.366308|10.937909|13.977251|36.858105| |1.805477|1.886050|3.863951|2.294999|2.082562|2.761998|2.864046|3.457540|4.350815|4.038745|3.164873|7.959380|5.789388|7.867970|7.439853|0.196591|5.011120|4.448214|6.194176|7.098784|7.987168|13.368039|36.858105| |1.944797|2.008404|4.150092|2.423551|2.155737|2.939844|2.970630|3.554992|4.685520|4.604602|3.498881|8.511724|5.455139|7.292353|6.443817|0.197050|4.364682|3.705273|5.354691|5.495684|5.391326|8.071212|15.732231|73.516695| |1.697689|1.769010|3.567513|2.110942|1.942936|2.473792|2.528531|2.936815|3.522060|3.390896|2.797467|5.825164|4.261288|6.330588|5.042204|0.131298|3.954783|3.843851|5.563623|6.504353|7.265231|8.067392|13.689560|15.080129|53.358707| |1.710929|1.764906|3.540369|2.066555|1.893997|2.394472|2.394540|2.720198|3.263495|3.275196|2.742783|5.200183|3.653980|5.494920|4.168875|0.113621|3.346963|3.214424|4.792104|5.209500|5.271133|5.861466|9.403347|14.042558|26.033352|0.500000| |1.565076|1.642126|3.276137|1.956513|1.835229|2.259182|2.343677|2.697523|3.088386|2.909099|2.476244|4.965268|3.838418|6.031896|4.482117|0.111381|3.840182|4.064064|5.947615|7.475061|8.416072|6.950534|7.839536|9.663744|19.111706|0.258129|36.858105| |1.516700|1.604251|3.202000|1.934323|1.830942|2.239897|2.383198|2.784841|3.109986|2.815752|2.401369|5.075612|4.206226|6.811699|5.032492|0.117641|4.576033|5.293105|7.505821|11.346796|14.047562|7.886023|6.773178|8.428004|11.229561|0.165244|14.742201|53.358707| |1.480461|1.545539|3.042971|1.803493|1.705921|2.038726|2.084109|2.330969|2.614756|2.530875|2.221208|4.019035|3.033821|4.908935|3.393637|0.087038|3.028132|3.223873|4.955014|5.620881|5.375072|4.643173|5.249850|7.437542|11.218030|0.212133|13.960267|11.135174|53.358707| |1.556857|1.622629|3.183475|1.877391|1.774388|2.103246|2.107030|2.308858|2.591638|2.588468|2.309949|3.841740|2.787496|4.527225|2.969637|0.077420|2.606294|2.715852|4.248596|4.515744|4.134749|3.852511|4.537658|6.938090|9.040846|0.198239|7.823823|7.389470|17.623944|36.858105| |1.577833|1.666049|3.256804|1.946395|1.867092|2.162961|2.178073|2.357534|2.577566|2.554956|2.327917|3.709235|2.704855|4.522209|2.763873|0.070741|2.462474|2.627920|4.184809|4.355760|3.801075|3.460316|3.816772|5.907676|6.752801|0.136994|5.914719|6.605259|10.489276|12.446424|36.858105| |1.416684|1.496925|2.896180|1.734065|1.686618|1.903902|1.942315|2.094237|2.234755|2.177829|2.006783|3.220399|2.414335|4.133232|2.490232|0.063451|2.310034|2.536975|4.133381|4.215950|3.491465|3.046538|3.180739|4.914779|5.382832|0.106289|4.964627|6.140512|8.891389|7.530827|12.436880|36.858105| |1.351147|1.426699|2.770862|1.662538|1.614015|1.841218|1.908400|2.093702|2.233731|2.129347|1.934217|3.304155|2.555143|4.387425|2.718905|0.068388|2.585618|2.929373|4.762810|5.058064|4.139901|3.390264|3.398373|5.082010|5.764566|0.108678|5.861414|7.844264|10.460404|6.519745|7.514953|12.424276|36.858105| |1.344267|1.405524|2.737905|1.625840|1.558988|1.811580|1.865809|2.064440|2.250414|2.159292|1.933730|3.404692|2.623880|4.386278|2.907924|0.074298|2.739106|3.026378|4.812959|5.250830|4.540621|3.747409|3.888410|5.721117|7.041306|0.134010|7.672141|9.105536|17.521399|7.845526|6.549601|7.567389|12.440587|36.858105| |1.298926|1.349593|2.610951|1.537946|1.475326|1.696777|1.728739|1.889015|2.056793|2.005393|1.815305|3.070596|2.326650|3.887555|2.554180|0.066586|2.403522|2.597533|4.185196|4.328018|3.673039|3.193470|3.402776|5.202574|6.054072|0.122641|5.816766|6.723312|12.847235|7.612837|6.107080|7.130490|8.965601|17.534876|0.500000| |1.258034|1.312322|2.552202|1.513629|1.453084|1.685910|1.753272|1.952020|2.113471|2.000497|1.787477|3.243024|2.562863|4.313308|2.932382|0.075053|2.887515|3.253030|5.227439|5.641652|4.625928|3.704217|3.644843|5.366790|6.139644|0.114196|6.309959|8.811842|10.235498|5.001544|4.337789|4.883894|7.419533|12.483308|0.251760|36.858105| |17.576661|8.859953|12.946804|4.866540|4.047636|4.007606|3.206896|2.743350|2.735795|3.192646|3.985335|3.172983|2.030132|3.489643|1.807863|0.051315|1.617504|1.508132|2.525672|2.038995|1.581210|1.732502|1.810393|3.489946|2.294697|0.047111|1.547815|2.047380|1.981845|1.518386|1.526082|1.373440|1.320377|1.321228|0.035413|1.244453|0.500000| |17.571356|8.855605|12.912943|4.880365|4.055705|4.035176|3.136159|2.705714|2.760892|3.324657|4.219693|3.203891|2.034501|3.467466|1.821420|0.051408|1.613522|1.516894|2.525357|2.082403|1.633677|1.784366|1.895749|3.656609|2.437683|0.050538|1.639553|2.142293|2.117668|1.650026|1.665899|1.482738|1.405880|1.403681|0.037781|1.306044|0.300959|0.500000| |17.550942|8.872233|10.246684|4.239847|3.868877|3.376791|2.771442|2.377434|2.347199|2.685808|3.288337|2.760671|1.797752|3.117696|1.614994|0.045373|1.458333|1.380956|2.325277|1.882873|1.456497|1.571745|1.642053|3.121519|2.119170|0.043638|1.446258|1.910070|1.875192|1.449552|1.472805|1.332240|1.269195|1.260021|0.033943|1.181214|0.300451|0.300530|0.500000| |8.844845|17.551040|16.566887|7.090076|6.832214|4.699404|3.799504|3.020059|2.810264|3.125758|4.005568|3.179941|2.073724|3.673819|1.805665|0.050072|1.634105|1.551579|2.623159|2.096628|1.603962|1.729234|1.769147|3.325384|2.254204|0.045642|1.548738|2.077077|1.982046|1.516446|1.559199|1.415080|1.357244|1.334100|0.035538|1.253835|0.211905|0.173303|0.212562|0.500000| |8.831483|17.547549|16.561935|7.159990|6.892909|4.756260|3.690895|2.974980|2.841835|3.254634|4.252720|3.215108|2.080758|3.652172|1.820959|0.050206|1.631469|1.562484|2.624987|2.145749|1.660256|1.782456|1.850221|3.471797|2.391263|0.048774|1.641933|2.178143|2.119385|1.648639|1.710418|1.536493|1.451576|1.420053|0.037955|1.317726|0.173217|0.211774|0.211971|0.301276|0.500000| |3.556802|4.909702|10.172385|9.154001|17.779397|7.026506|6.864079|4.697007|3.805335|3.835032|4.765553|4.090088|2.723313|5.068751|2.245718|0.059667|2.030698|1.981624|3.357227|2.692128|2.031790|2.153174|2.132974|3.867088|2.711315|0.053426|1.901812|2.609932|2.397783|1.822757|1.938333|1.761094|1.690247|1.617503|0.042277|1.508103|0.092109|0.092632|0.088321|0.138464|0.140582|0.500000| |4.683750|7.440563|12.565152|9.016053|17.776322|5.483901|4.677327|3.499192|3.072285|3.272276|4.163975|3.412397|2.258819|4.103101|1.926316|0.052172|1.749198|1.693699|2.874750|2.303163|1.748767|1.857990|1.873241|3.444235|2.402060|0.048061|1.675198|2.269683|2.140554|1.640081|1.725749|1.570818|1.499337|1.447649|0.038280|1.351800|0.115270|0.114877|0.118121|0.228336|0.225885|0.289837|0.500000| |3.054677|3.811114|8.608441|6.995782|6.850476|8.920369|17.734179|9.002422|5.669110|4.985633|5.671170|5.661954|3.748891|7.224972|2.882881|0.075970|2.579870|2.456698|4.129538|3.241539|2.421390|2.628984|2.525164|4.584807|3.082428|0.059542|2.139092|2.991715|2.615024|1.935644|2.018528|1.830433|1.802890|1.747419|0.045054|1.652103|0.084389|0.080938|0.074602|0.106567|0.100049|0.229709|0.140948|0.500000| |2.392430|2.741391|5.983084|4.102136|3.777345|5.621390|8.934216|17.825327|8.908600|5.651030|4.959729|9.508326|6.819403|14.919705|4.412710|0.110538|3.835899|3.547077|5.784094|4.517868|3.329177|3.726072|3.348690|5.930974|3.876851|0.072226|2.677493|3.869633|3.131463|2.237629|2.293030|2.074733|2.107404|2.066541|0.052167|1.979715|0.067213|0.065708|0.059163|0.074551|0.072619|0.116376|0.086988|0.217704|0.500000| |2.982522|3.137958|7.128450|4.116372|3.302826|5.633786|4.982274|5.647473|8.904804|17.698194|8.949757|10.049513|4.855250|7.115011|4.073168|0.117781|3.100971|2.730106|4.238485|3.796549|3.206381|3.955382|4.517772|9.837294|5.101343|0.102934|3.092336|3.961801|3.657134|2.764312|2.653730|2.230536|2.177888|2.250646|0.058376|2.076940|0.083887|0.089068|0.070995|0.078094|0.082335|0.088916|0.079106|0.108052|0.124130|0.500000| |4.713414|5.169765|13.763785|7.051722|4.828398|8.914505|5.673402|4.954390|5.642399|8.973395|17.756685|5.751928|3.289474|5.383393|2.776944|0.078053|2.314305|2.128330|3.439612|2.939001|2.369921|2.701306|2.921554|5.807733|3.593763|0.073423|2.330388|3.030207|2.895053|2.244175|2.249261|1.933304|1.845071|1.852860|0.048831|1.705940|0.127639|0.145341|0.103963|0.117750|0.131479|0.118206|0.113285|0.124386|0.107693|0.216962|0.500000| |2.259776|2.393378|5.154348|3.100512|2.682180|4.065447|4.291847|5.734574|9.327912|7.665256|4.932439|25.950819|9.513946|10.881506|7.771749|0.229602|4.847348|3.917406|5.729258|5.347023|4.678923|6.734074|7.165500|15.595333|6.651106|0.122901|3.913878|5.228563|4.277654|3.009830|2.817188|2.409457|2.465962|2.600498|0.065522|2.466672|0.064001|0.065384|0.055646|0.062151|0.063489|0.075593|0.065079|0.098251|0.142858|0.236267|0.117004|0.500000| |1.496070|1.569776|3.155611|1.890671|1.766472|2.215474|2.441207|2.966914|3.268098|2.786820|2.338600|5.780026|5.548952|8.880537|8.887846|0.225260|17.518258|9.129557|11.928835|9.003571|6.010352|6.660850|4.748462|7.461476|5.223438|0.091595|3.719024|5.904838|4.050287|2.530721|2.343624|2.215262|2.498889|2.712869|0.066689|2.936658|0.042408|0.042311|0.038310|0.042287|0.042225|0.050943|0.044648|0.063123|0.088475|0.078567|0.059145|0.117680|0.500000| |1.601497|1.704001|3.457156|2.107637|1.975140|2.503920|2.869893|3.606152|3.801151|3.062989|2.574186|6.682720|7.162826|13.037302|8.745386|0.202746|17.657818|9.059032|13.293362|7.864941|4.981834|5.548335|4.067548|6.646323|4.480343|0.079667|3.185789|5.018055|3.542942|2.299269|2.206046|2.079794|2.292036|2.386655|0.058998|2.496341|0.045537|0.044834|0.040844|0.046276|0.045580|0.057564|0.049462|0.074834|0.113506|0.082890|0.063628|0.124335|0.301817|0.500000| |1.419289|1.516312|3.012910|1.845277|1.778114|2.123995|2.348121|2.769158|2.906628|2.514095|2.186949|4.685831|4.279039|7.762475|4.973620|0.110634|5.689037|9.347381|13.870716|26.002427|9.364436|5.854930|4.312765|6.104959|5.759957|0.096660|5.141394|10.729124|5.589920|3.283645|3.248018|3.275110|4.075730|4.080181|0.092169|4.492906|0.039313|0.040264|0.036636|0.040725|0.041819|0.052511|0.045031|0.061869|0.083032|0.069302|0.055478|0.092054|0.142209|0.128728|0.500000| |1.680105|1.744080|3.447492|2.020926|1.885420|2.283033|2.256551|2.475444|2.844016|2.903710|2.562104|4.211739|2.962876|4.713015|3.130943|0.082846|2.661235|2.692759|4.173124|4.387788|4.091982|4.063005|5.141828|8.126962|10.439957|0.259766|7.329188|6.830341|12.280688|17.643194|8.836357|5.497136|4.865562|5.646859|0.151712|4.123144|0.045516|0.049836|0.043200|0.044937|0.049112|0.053408|0.048211|0.056857|0.065588|0.088061|0.069589|0.093684|0.071531|0.065356|0.086197|0.500000| |1.467978|1.517742|2.947626|1.722031|1.632712|1.903109|1.893914|2.050320|2.280970|2.299932|2.082688|3.349708|2.427130|3.970569|2.593822|0.068751|2.320441|2.405495|3.820747|3.909177|3.456312|3.251935|3.777803|5.996451|7.063813|0.160929|5.828704|5.953283|12.513226|17.574946|8.800784|6.777825|5.794560|7.223436|0.236433|4.784119|0.039773|0.043260|0.038186|0.039457|0.042879|0.046346|0.042270|0.048657|0.055240|0.068328|0.056833|0.072918|0.063471|0.057428|0.079604|0.304425|0.500000| |1.678855|1.792332|3.541901|2.146499|2.057647|2.419974|2.462041|2.693837|2.946955|2.878720|2.597335|4.232288|3.090585|5.181190|3.085927|0.077463|2.707160|2.907369|4.585059|4.872847|4.296490|3.897852|4.223852|6.424106|7.244576|0.139402|6.284544|7.331106|9.409451|8.883586|17.520114|8.824449|6.670769|5.670387|0.137383|4.060308|0.045072|0.049114|0.043280|0.046561|0.051098|0.059861|0.052291|0.063015|0.072765|0.082022|0.068667|0.088110|0.070153|0.067238|0.100101|0.215659|0.173629|0.500000| |1.615454|1.701392|3.302256|1.960897|1.884641|2.149978|2.129556|2.260840|2.460478|2.493961|2.317448|3.456440|2.470289|4.142226|2.480670|0.064415|2.208086|2.319917|3.733123|3.730927|3.189053|3.006449|3.349528|5.400903|5.671874|0.119670|4.571726|5.232801|7.619916|8.863866|17.536243|8.796776|5.482331|4.920162|0.136473|3.536691|0.043109|0.047643|0.042004|0.044008|0.048896|0.054027|0.048663|0.054885|0.060426|0.072030|0.063075|0.072968|0.058465|0.055725|0.076727|0.213536|0.213530|0.302961|0.500000| |1.417040|1.508097|2.906523|1.752633|1.723587|1.909989|1.956345|2.089637|2.190879|2.126754|1.985231|3.105716|2.332207|4.062896|2.353586|0.059705|2.202121|2.436537|4.027419|3.988546|3.200150|2.806433|2.868556|4.488652|4.642920|0.090958|4.127604|5.379599|6.687380|5.495871|8.825544|17.553611|8.797698|5.503383|0.143161|4.037956|0.038013|0.041046|0.037106|0.039707|0.043231|0.050336|0.044672|0.051645|0.057721|0.059667|0.052992|0.063616|0.058118|0.055737|0.086855|0.123462|0.138642|0.216207|0.209178|0.500000| |1.347266|1.413009|2.712203|1.608749|1.565281|1.748476|1.768403|1.889051|2.014885|1.986345|1.845904|2.889926|2.150583|3.673685|2.230018|0.057703|2.081666|2.256795|3.707733|3.668810|3.008907|2.683184|2.834452|4.474913|4.756858|0.096931|4.211851|5.143575|7.677808|6.710565|8.862722|17.498550|8.855119|6.755876|0.208699|4.560313|0.036275|0.039235|0.035353|0.037111|0.040321|0.045101|0.040786|0.046424|0.051820|0.056836|0.049892|0.060449|0.056122|0.052399|0.078690|0.138870|0.196725|0.173836|0.217172|0.303605|0.500000| |1.394664|1.483722|2.899397|1.757268|1.709555|1.963371|2.064448|2.291487|2.428372|2.269772|2.047655|3.616946|2.855169|4.963193|3.019033|0.074173|2.890490|3.380597|5.472516|6.054737|4.861494|3.791394|3.638846|5.332625|5.985935|0.108131|6.220003|9.393661|9.395518|5.656170|6.648902|8.787261|17.564637|8.866135|0.175049|6.668781|0.037904|0.040150|0.036281|0.039305|0.041856|0.050133|0.043847|0.054235|0.064761|0.063781|0.053616|0.073912|0.076227|0.070749|0.140032|0.125962|0.132518|0.191550|0.136848|0.214639|0.173490|0.500000| |1.258991|1.327251|2.558872|1.531935|1.497034|1.680102|1.743561|1.897641|1.999755|1.906378|1.749624|2.936971|2.281016|3.965537|2.423390|0.061406|2.359790|2.688511|4.478459|4.519993|3.531610|2.925836|2.890154|4.411015|4.715745|0.090151|4.525853|6.285338|7.601623|4.905083|5.491376|8.822993|17.534363|8.859178|0.213143|6.945144|0.034198|0.036263|0.033007|0.035234|0.037528|0.043554|0.038862|0.046169|0.053356|0.053905|0.046495|0.060565|0.063885|0.058773|0.102959|0.107546|0.130437|0.137288|0.123357|0.208914|0.218081|0.302638|0.500000| |1.180718|1.229789|2.374479|1.404977|1.356837|1.549109|1.607315|1.769918|1.894264|1.802334|1.630968|2.862842|2.250429|3.836649|2.528411|0.065315|2.525227|2.839452|4.694555|4.733954|3.709268|3.068570|3.018961|4.585820|4.912734|0.094039|4.680115|6.527990|7.588365|4.221883|3.835725|4.548138|6.648328|8.937004|0.227433|17.551415|0.032410|0.033990|0.030935|0.032725|0.034374|0.039100|0.035258|0.042375|0.049919|0.051733|0.043437|0.060113|0.071473|0.061836|0.105929|0.097619|0.117577|0.098244|0.089771|0.107157|0.124043|0.159101|0.201854|0.500000| |1.253806|1.299736|2.529863|1.490258|1.421247|1.662810|1.721053|1.920337|2.101840|2.000839|1.777544|3.257854|2.559729|4.240016|3.000112|0.078355|2.940056|3.204976|5.093429|5.415298|4.549599|3.795770|3.822497|5.667170|6.443886|0.122010|6.223435|8.179868|9.622958|4.738180|3.871492|4.072317|5.445906|8.807539|0.211760|17.559296|0.034582|0.036217|0.032673|0.034462|0.036102|0.040739|0.036746|0.044862|0.053869|0.058316|0.047291|0.069829|0.085126|0.070177|0.114664|0.113286|0.128835|0.100943|0.090102|0.094706|0.108314|0.139493|0.140322|0.301798|0.500000| 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