Version2.1 2021-01-14T20:58:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)C3CCOCC3)Oc4ccc(cc4)F C39596585 RHF 6-31G(d) (6D,7F) C[C@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)C3CCOCC3)Oc4ccc(cc4)F C01[X(C24H35F1N3O4)] 195 C1 550 C[C@@H](Oc1ccc(cc1)F)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)C1CCOCC1 C[C@@H](Oc1ccc(cc1)F)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)C1CCOCC1 C[C@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)C3CCOCC3)Oc4ccc(F)cc4 InChIKey=COURSCHHERRKCC-UTKZUKDTSA-O InChI=1S/C24H34FN3O4/c1-17(32-20-4-2-19(25)3-5-20)14-27-22(29)21-15-28(16-24(21)8-10-26-11-9-24)23(30)18-6-12-31-13-7-18/h2-5,17-18,21,26H,6-16H2,1H3,(H,27,29)/p+1/t17-,21+/m1/s1 InChI=1/C24H34FN3O4/c1-17(32-20-4-2-19(25)3-5-20)14-27-22(29)21-15-28(16-24(21)8-10-26-11-9-24)23(30)18-6-12-31-13-7-18/h2-5,17-18,21,26H,6-16H2,1H3,(H,27,29)/p+1/t17-,21+/m1/s1/fC24H35FN3O4/h26-27H/q+1 C[C@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)C3CCOCC3)Oc4ccc(cc4)F C01[X(C24H35F1N3O4)] 195 C01 550 C[C@@H](Oc1ccc(cc1)F)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)C1CCOCC1 C[C@@H](O[C]1[CH][CH][C]([CH][CH]1)F)C[NH][C](=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)C1CCOCC1 C[C@H](CNC(=O)[C@@H]1CN(CC12CC[NH2]CC2)C(=O)C3CCOCC3)O[C]4[CH][CH][C](F)[CH][CH]4 InChIKey=CXZPMCKPSGUJNC-UTKZUKDTSA-N InChI=1S/C24H35FN3O4/c1-17(32-20-4-2-19(25)3-5-20)14-27-22(29)21-15-28(16-24(21)8-10-26-11-9-24)23(30)18-6-12-31-13-7-18/h2-5,17-18,21H,6-16,26H2,1H3,(H,27,29)/t17-,21+/m1/s1 InChI=1/C24H35FN3O4/c1-17(32-20-4-2-19(25)3-5-20)14-27-22(29)21-15-28(16-24(21)8-10-26-11-9-24)23(30)18-6-12-31-13-7-18/h2-5,17-18,21H,6-16,26H2,1H3,(H,27,29)/t17-,21+/m1/s1/f/h27H 3325.6696903973 -1491.2745669 1-A 21154.2023 120 430 550 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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| 8.9646 14.0973 21.1201 21.6808 31.8482 40.2239 52.2438 57.2385 60.8924 73.8698 83.1223 100.3112 128.8623 151.9404 159.6823 187.6918 202.7685 207.7918 218.0770 231.1810 249.4845 253.0628 259.3908 262.5641 271.5540 283.7543 313.5507 334.4128 366.7221 381.0051 384.2779 401.3325 407.6858 429.0484 437.7271 462.5395 476.3701 478.9837 486.5521 504.3114 514.3268 516.8796 536.0774 555.8954 568.0161 583.3186 617.0936 624.5572 643.8684 683.7669 701.8321 722.7498 774.4212 788.9668 804.9761 828.0685 828.5998 865.9426 867.7273 875.0766 898.6767 900.7388 911.5623 927.5911 930.5211 942.7810 952.7140 960.5590 971.0223 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3237.5774 3241.1802 3246.2778 3261.2375 3265.6408 3269.2803 3273.3146 3281.1742 3282.1699 3293.6882 3295.3202 3299.6340 3300.6536 3302.0135 3303.8168 3320.9412 3328.0667 3333.3506 3339.3825 3376.6027 3391.6489 3405.9888 3408.5657 3655.5262 3727.0628 3871.6802 5.6883 6.3716 3.2809 4.5870 4.3381 5.0928 4.5495 4.8568 4.8504 4.2590 5.2927 5.1322 4.7397 3.3987 4.4170 3.1678 3.4436 3.8755 5.6324 2.5454 1.1564 1.9221 2.5925 3.2083 3.0887 3.8661 3.4881 4.0289 5.1491 3.3989 2.4606 2.5042 4.3737 2.9802 2.8781 3.6809 3.2850 3.5889 3.0957 3.2875 2.9330 3.2717 3.1908 2.8523 3.4932 2.9372 2.0030 3.0862 1.3787 2.5572 7.0912 2.8473 3.8280 3.7340 4.4135 5.0653 3.6293 4.6500 3.1180 1.6184 1.6259 2.6116 4.0339 1.2551 3.4582 1.6377 2.3689 2.2110 2.0163 2.8506 1.9265 2.0975 2.2039 1.7926 2.0984 1.3928 1.7017 2.3049 1.4645 1.3358 1.8686 2.4441 2.4234 2.1532 2.2031 1.8176 2.4523 2.3032 3.7940 2.4940 1.7547 2.6812 2.6128 1.8792 1.8415 2.2046 1.6854 1.3523 2.7258 1.7376 1.6133 1.9206 1.9696 2.0720 1.1455 1.2500 1.9284 2.4835 2.3806 1.4161 1.3859 1.3592 8.3239 1.5776 1.3491 1.2955 1.3088 1.2927 1.2555 1.2706 1.3094 1.3123 1.3847 1.5664 1.3840 1.4230 1.5522 1.3509 1.2923 1.5439 1.5475 1.4283 1.2226 1.3479 2.0880 1.8515 1.5056 1.5856 1.3744 2.1369 1.0957 1.0695 1.0868 1.1067 1.0517 1.0943 1.0909 1.0851 1.0881 1.0889 1.1085 1.0912 1.0941 2.8106 2.3147 7.1695 5.9028 1.0796 8.8520 11.5665 1.0736 1.0743 1.0800 1.0745 1.0717 1.0781 1.0406 1.0720 1.0815 1.0718 1.0667 1.0651 1.0668 1.0983 1.0888 1.0625 1.0661 1.1028 1.0925 1.0943 1.1026 1.1023 1.1025 1.0958 1.1044 1.0979 1.1107 1.1089 1.0912 1.0911 1.0958 1.0968 1.0577 1.0946 1.0785 0.0003 0.0007 0.0009 0.0013 0.0026 0.0049 0.0073 0.0094 0.0106 0.0137 0.0215 0.0304 0.0464 0.0462 0.0664 0.0658 0.0834 0.0986 0.1578 0.0802 0.0424 0.0725 0.1028 0.1303 0.1342 0.1834 0.2020 0.2655 0.4080 0.2907 0.2141 0.2376 0.4283 0.3232 0.3249 0.4640 0.4392 0.4851 0.4318 0.4926 0.4571 0.5150 0.5403 0.5193 0.6640 0.5888 0.4494 0.7093 0.3368 0.7044 2.0579 0.8763 1.3526 1.3694 1.6850 2.0464 1.4681 2.0544 1.3832 0.7302 0.7737 1.2484 1.9749 0.6363 1.7642 0.8577 1.2668 1.2019 1.1201 1.6005 1.0993 1.2426 1.3352 1.1341 1.3754 0.9336 1.1627 1.5851 1.0175 0.9350 1.3264 1.7674 1.7611 1.5683 1.6160 1.3732 1.8621 1.8202 3.0711 2.0356 1.4348 2.2960 2.3142 1.7112 1.6908 2.0305 1.5857 1.2782 2.6014 1.6635 1.5619 1.9101 1.9921 2.1215 1.1896 1.3350 2.1078 2.7349 2.6538 1.6207 1.5939 1.5656 9.6939 1.8582 1.6053 1.5591 1.6194 1.6036 1.5603 1.5829 1.6420 1.6541 1.7706 2.0819 1.8480 1.9152 2.1225 1.8572 1.7786 2.1390 2.1817 2.0223 1.7528 1.9500 3.0301 2.6898 2.2011 2.3229 2.0275 3.2007 1.7051 1.6801 1.7225 1.7572 1.6762 1.7478 1.7480 1.7414 1.7554 1.7721 1.8178 1.8132 1.8335 4.7540 4.0486 13.6368 11.5764 2.1190 18.7788 25.7005 6.2745 6.3230 6.4789 6.4673 6.4841 6.5543 6.3405 6.5591 6.6230 6.6190 6.6024 6.6135 6.6848 6.9007 6.8566 6.7075 6.7624 6.9998 6.9830 7.0017 7.0727 7.0755 7.0824 7.0469 7.1763 7.1646 7.2712 7.2861 7.3305 7.3949 7.4899 7.5077 8.3278 8.9585 9.5255 2.5300 0.9118 0.8057 0.4009 0.3188 1.7534 9.2065 4.0165 3.5926 2.3433 7.4896 1.0892 2.7530 4.9448 0.7951 1.5275 2.9494 3.3258 0.3323 2.7125 1.3494 3.2761 5.7176 7.7274 3.5490 10.2282 7.6183 15.6180 4.1934 14.6968 2.3135 3.9410 14.2587 2.2314 8.1223 3.4464 0.8565 1.4169 1.1482 0.6693 2.8261 21.3715 4.0404 4.3193 5.3316 6.6957 20.4663 7.8053 87.4612 14.5880 0.3886 12.4597 6.7447 6.1009 7.4738 9.7965 24.9728 35.9747 2.8858 3.3722 0.1345 1.2705 7.9533 0.3916 4.5739 10.9418 8.7925 34.8456 56.5243 7.5660 3.4002 7.1611 2.8818 15.3254 22.5703 0.6630 7.7517 4.0418 4.1041 0.0965 19.8781 21.1045 7.8149 12.5034 15.3773 3.3065 9.2264 5.5339 27.2222 5.3733 12.3511 16.2266 3.2595 6.4523 12.3473 81.5977 5.8476 17.7331 1.4729 28.5537 23.2261 41.4810 51.0466 28.9180 8.8229 6.8606 213.5747 168.1303 51.2412 66.6322 24.3065 49.6835 5.5208 34.5288 48.0992 0.9239 3.9027 18.2887 18.8367 15.7730 61.6559 45.8725 3.9417 110.2785 6.5758 5.6403 19.6034 80.0214 23.3054 7.0676 50.0344 15.3289 14.5823 1.7786 6.0362 10.5297 134.5391 10.8250 71.7462 135.9490 1.8376 7.0893 0.2890 13.6352 3.9676 5.1407 5.9242 17.7639 0.1115 28.7353 2.7033 0.0522 3.9577 460.9783 478.0954 0.0693 6.4494 125.6908 348.4687 304.6570 13.2477 116.4613 9.8884 22.9632 24.0918 58.3384 10.4923 31.8621 6.7743 48.2997 25.2067 10.4257 3.8442 24.7186 25.7783 9.1408 28.8046 26.4900 54.6665 12.9532 14.8227 5.6418 23.7240 39.3048 2.7698 11.6845 4.6405 7.0794 15.2419 5.3311 2.6200 2.0113 67.8734 91.4203 77.7217 0.0453 0.7596 0.7191 1.5408 5.1277 0.4453 0.5422 0.6578 0.0994 1.1441 0.4974 1.1402 0.5698 0.2842 0.4785 0.1864 0.5911 1.5805 1.6575 0.5020 0.3103 0.0899 0.1566 0.2949 0.0850 0.4766 1.4988 0.6562 1.3481 0.5940 0.5307 0.5701 3.2513 1.9901 1.1058 1.5555 0.3728 0.3564 1.7039 1.9743 1.6101 0.7879 1.2140 1.0040 0.5668 1.9616 0.9124 0.4315 1.4500 1.5514 7.7680 4.0453 0.5475 2.3729 2.0054 10.8510 2.9056 0.9065 4.6734 2.2660 3.2274 12.7650 29.7680 2.5995 2.9660 1.5249 4.9283 3.5382 0.9340 4.1495 4.1195 0.1487 3.5823 6.5310 11.6953 1.7976 3.2095 0.7526 1.8371 0.0781 7.5852 2.9358 0.2141 7.8971 5.5919 9.0112 2.3408 3.3084 1.8973 1.7489 0.5447 2.8782 9.0914 6.3433 4.9760 2.8697 2.9609 7.1107 1.1511 4.1544 4.8973 3.0323 6.8903 4.6247 1.0376 7.1335 2.0101 4.9846 2.9390 4.8479 2.5397 0.7513 16.3494 8.4269 17.7576 1.6834 9.0582 8.3472 5.0488 23.4146 6.3405 5.0914 4.0719 4.1504 4.0616 2.1210 1.6415 2.4823 2.2922 3.6169 9.3244 1.8950 2.3987 1.5626 0.7308 0.9189 3.3765 1.1058 0.6048 6.0380 13.3324 11.1935 21.0475 3.5007 9.6131 1.3470 5.5128 12.9245 12.9921 5.6642 6.5150 2.7340 10.9179 0.6825 4.3894 9.5382 14.9119 5.3292 6.6891 9.4116 8.9418 98.0400 9.0279 57.9578 48.0287 51.5360 59.9354 108.7170 107.4012 55.3115 41.5595 61.7747 52.1694 39.8383 8.5956 64.9272 179.9693 50.8286 85.9742 134.9467 52.0318 41.9970 57.9809 92.2854 56.1813 49.0445 74.1048 40.4995 66.5482 49.4769 92.5506 160.7750 59.7125 68.0668 36.2215 0.7424 0.7500 0.7490 0.7491 0.7479 0.7486 0.7346 0.7379 0.6666 0.7499 0.6427 0.7049 0.7359 0.7393 0.3274 0.5265 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14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 12440.4140 27062.1149 37407.2832 0.99984 0.01781 0.00112 -0.01781 0.99984 -0.00292 -0.00117 0.00290 1.00000 1 0.00696 0.00320 0.00232 0.14507 0.06669 0.04825 12.90 20.28 30.39 31.19 45.82 57.87 75.17 82.35 87.61 106.28 119.59 144.33 185.40 218.61 229.75 270.05 291.74 298.97 313.76 332.62 358.95 364.10 373.21 377.77 390.71 408.26 451.13 481.15 527.63 548.18 552.89 577.43 586.57 617.31 629.79 665.49 685.39 689.15 700.04 725.59 740.00 743.67 771.30 799.81 817.25 839.27 887.86 898.60 926.38 983.79 1009.78 1039.88 1114.22 1135.15 1158.18 1191.41 1192.17 1245.90 1248.47 1259.04 1293.00 1295.96 1311.53 1334.60 1338.81 1356.45 1370.74 1382.03 1397.08 1404.52 1415.93 1442.70 1458.99 1490.89 1517.56 1534.59 1549.34 1554.43 1562.39 1568.19 1579.22 1593.96 1597.89 1599.72 1605.35 1629.25 1633.35 1666.33 1686.42 1693.41 1694.97 1734.56 1764.07 1788.69 1796.12 1798.88 1818.11 1822.36 1831.16 1834.03 1844.36 1869.26 1885.14 1896.68 1910.14 1937.13 1959.66 1967.02 1979.06 2005.28 2010.17 2011.74 2022.80 2034.33 2044.69 2056.28 2085.03 2087.76 2089.63 2092.12 2099.07 2104.43 2119.58 2160.97 2166.00 2174.60 2191.91 2197.81 2198.99 2206.30 2225.62 2230.41 2244.33 2254.52 2258.02 2259.24 2266.41 2268.72 2276.64 2294.05 2338.30 2349.32 2359.85 2361.96 2366.43 2368.92 2372.69 2374.59 2380.81 2391.28 2400.29 2416.26 2426.53 2437.80 2479.01 2585.12 2624.99 2626.06 2730.12 2794.07 4531.41 4547.43 4590.89 4598.67 4610.64 4621.76 4626.87 4636.54 4638.55 4658.15 4663.34 4670.67 4692.19 4698.53 4703.77 4709.57 4720.88 4722.31 4738.88 4741.23 4747.44 4748.90 4750.86 4753.46 4778.09 4788.35 4795.95 4804.63 4858.18 4879.83 4900.46 4904.17 5259.49 5362.41 5570.48 0.627995 0.656490 0.657434 0.563278 -1490.646572 -1490.618077 -1490.617132 -1490.711289 3.158041D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE C[C@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)C3CCOCC3)Oc4ccc(cc4)F C39596585 RHF 6-31G(d) (6D,10F) C1 448.261160 |X|Y|Z| 118.640266 79.394672 27.835736 64.004238 28 6 7 8 23 3 2 |36.858105| |12.527432|36.858105| |8.867292|17.546399|0.500000| |7.567530|12.523015|0.247576|36.858105| |5.027222|7.822101|0.196473|13.111052|53.358707| |3.863185|5.195644|0.139811|7.753576|19.421959|36.858105| |3.652117|4.548073|0.122732|6.772007|11.561521|15.728625|73.516695| |3.072511|3.966183|0.109673|5.007739|10.725354|12.470818|14.143188|36.858105| |2.950620|3.732985|0.099470|4.672949|9.446225|9.062984|11.439176|17.491279|0.500000| |2.956689|3.858709|0.111961|4.358996|8.787726|7.332976|9.382816|12.414799|0.247867|36.858105| |2.412594|2.980146|0.086056|3.302662|5.982294|5.103990|7.442504|8.138158|0.192321|13.077473|53.358707| |2.241015|2.699209|0.076417|3.095990|5.455456|5.002815|7.810378|8.042465|0.199976|7.872898|17.867361|36.858105| |2.538562|3.092983|0.086944|3.761742|6.833953|7.292873|11.753853|12.318335|0.248234|7.858599|11.034581|12.338001|36.858105| |2.361696|2.775891|0.075861|3.431143|5.798418|5.931151|10.975350|7.497637|0.201380|5.022095|6.978697|7.387774|12.371245|36.858105| |2.037035|2.325638|0.064331|2.775059|4.428441|4.194096|8.097096|4.861909|0.128635|3.820642|5.616349|5.804316|7.407811|12.514240|36.858105| |2.060541|2.339577|0.065911|2.771883|4.332807|4.089396|8.286337|4.427861|0.109679|3.635129|5.212433|4.951048|6.480360|7.738705|12.667736|53.358707| |1.873524|2.093114|0.059015|2.433629|3.714818|3.367761|6.732142|3.594762|0.091279|3.079591|4.463164|4.108856|4.890476|5.694141|9.153852|25.691891|0.500000| |2.204842|2.490623|0.069846|3.008253|4.612868|4.406668|9.587309|4.422232|0.108888|3.532607|4.806596|4.332846|5.958820|7.205519|9.209436|25.636082|0.327204|0.500000| |2.125897|2.456709|0.070906|2.853046|4.569229|4.294282|8.241923|4.852955|0.113065|4.268962|6.322485|5.871297|7.402529|6.484986|7.650310|17.232401|0.254254|0.255708|36.858105| |2.505550|3.011305|0.087623|3.582391|6.127468|6.220269|11.323485|7.452309|0.152666|6.233049|8.544541|7.528681|12.295443|7.484568|6.464859|10.499996|0.157902|0.199451|12.508990|36.858105| |2.193508|2.658696|0.077485|2.814821|4.836891|3.841565|5.796200|5.240547|0.134093|7.853352|18.956306|7.495434|5.164833|3.796263|3.287644|4.234418|0.076952|0.079863|3.726289|4.545690|36.858105| |2.289890|2.794002|0.082606|2.852614|4.838123|3.635547|5.435819|4.620338|0.118624|7.158728|11.688368|5.294732|4.219503|3.218128|2.795323|3.674405|0.067416|0.070918|3.187280|3.883119|15.879324|73.516695| |1.871074|2.199394|0.063443|2.326130|3.836447|3.062989|4.838460|3.978356|0.106280|4.984886|10.418427|6.313288|4.264076|3.413744|3.142666|3.998283|0.074703|0.073834|3.450854|3.832642|12.532497|14.232483|36.858105| |1.726086|1.999191|0.058318|2.065193|3.306331|2.577235|4.146458|3.144081|0.083111|3.880281|6.971333|4.334468|3.311141|2.738436|2.598484|3.428474|0.065470|0.064044|2.963455|3.190148|7.555909|11.951108|12.416396|36.858105| |1.524264|1.734446|0.050086|1.794582|2.816869|2.195535|3.601125|2.620351|0.070787|3.045329|5.234810|3.566604|2.801620|2.435700|2.378986|3.112548|0.060650|0.057935|2.609590|2.692728|4.936866|7.912240|7.601265|12.494605|36.858105| |1.486844|1.686447|0.048152|1.745164|2.733633|2.113621|3.450683|2.525099|0.070092|2.890034|4.879101|3.367026|2.650837|2.357785|2.278333|2.910221|0.056638|0.054491|2.370671|2.464167|4.494311|7.278764|6.642425|7.883854|13.613653|73.516695| |1.556825|1.776036|0.050229|1.864772|2.956692|2.312502|3.753937|2.832152|0.080291|3.188928|5.540855|3.957837|2.998828|2.690411|2.572670|3.187695|0.061529|0.059290|2.560937|2.677982|4.949472|7.538193|7.579173|6.652633|8.139497|24.279030|36.858105| |1.777687|2.068952|0.058575|2.183336|3.558920|2.789368|4.405213|3.566882|0.101514|4.219387|7.823241|5.176818|3.682533|3.151977|2.880336|3.539113|0.066693|0.066058|2.889630|3.165990|7.615553|10.703061|12.351808|7.599542|6.657939|14.031403|12.484769|36.858105| |7.811978|13.419033|0.258520|8.150771|9.638283|4.734879|7.005334|3.951940|0.108080|4.004048|4.194776|2.731336|3.014208|2.695128|2.240353|2.992435|0.054781|0.063817|2.309037|2.819060|2.798773|5.323459|2.299636|2.079513|1.800678|3.152269|1.875304|2.206506|73.516695| |6.221102|7.953336|0.203659|5.254610|6.683288|3.675949|5.590976|3.283837|0.089631|3.514961|3.825783|2.453253|2.611428|2.325908|1.980837|2.659108|0.049251|0.056084|2.072349|2.481246|2.659762|5.206280|2.205994|2.040186|1.769043|3.100328|1.819281|2.124579|24.704055|36.858105| |5.411275|5.641207|0.140788|4.127191|5.135421|2.988947|4.697365|2.716503|0.075718|2.847595|3.233230|2.119017|2.231718|2.040060|1.764110|2.356805|0.044098|0.049649|1.812157|2.116788|2.278360|4.414374|1.944453|1.815250|1.602337|2.834158|1.659002|1.905511|14.255849|13.759681|36.858105| |4.079975|4.153201|0.111137|3.224529|4.143943|2.519457|4.011187|2.356116|0.065439|2.517958|2.940698|1.922405|1.986403|1.815208|1.594750|2.137808|0.040319|0.044725|1.651679|1.902340|2.122917|4.158123|1.837232|1.746272|1.550735|2.746462|1.589472|1.806447|9.294629|7.940061|13.757509|36.858105| |3.603834|3.829763|0.108986|3.011998|3.999907|2.468712|3.914865|2.351433|0.064382|2.592642|3.047014|1.958628|1.997518|1.796639|1.587254|2.141602|0.040435|0.044536|1.677567|1.934085|2.242205|4.486221|1.931580|1.862712|1.641212|2.887942|1.652697|1.880861|8.230685|6.941179|8.006975|13.822359|36.858105| |3.795860|4.334091|0.130591|3.360326|4.593738|2.805892|4.375427|2.683471|0.072104|3.057182|3.520344|2.209294|2.250980|1.978663|1.736530|2.356635|0.044226|0.048911|1.874232|2.195394|2.598878|5.317698|2.185053|2.106993|1.821037|3.170015|1.809921|2.088788|9.261815|7.936776|6.863070|7.905942|13.823671|36.858105| |4.793624|6.115863|0.188089|4.422282|6.074717|3.503117|5.312271|3.256252|0.086629|3.709157|4.056405|2.522981|2.627772|2.280515|1.961675|2.659392|0.049347|0.055554|2.118194|2.543852|2.899631|5.884046|2.371516|2.230526|1.905585|3.306451|1.914464|2.246141|14.142803|13.751299|7.934854|6.865055|8.008594|13.756533|36.858105| |2.928261|3.037331|0.086863|2.492898|3.334362|2.119794|3.409091|2.048168|0.056161|2.256024|2.723637|1.764205|1.779441|1.611364|1.442571|1.949486|0.037079|0.040372|1.525929|1.733025|2.034269|4.062553|1.786907|1.750577|1.559494|2.749327|1.557978|1.748306|6.223162|4.678388|5.308632|8.167526|14.351091|8.171089|5.309953|97.533100| |17.594865|8.826863|0.212940|5.504773|5.654459|3.290181|5.492554|2.736742|0.073182|2.717997|3.064963|2.071258|2.294501|2.122741|1.854235|2.555782|0.047790|0.055271|1.952244|2.276342|2.089157|3.927990|1.791595|1.673544|1.480724|2.568728|1.501216|1.705752|12.393822|6.707240|6.236665|4.776763|4.155332|4.262303|5.200779|7.497701|0.500000| |17.554141|8.844844|0.212439|6.879217|6.285706|3.752740|6.607599|2.947021|0.077432|2.797389|3.148741|2.178425|2.498413|2.342452|2.046652|2.863915|0.053312|0.063216|2.163648|2.525693|2.094649|3.850343|1.800846|1.667893|1.477938|2.547650|1.496702|1.697320|10.051823|4.720379|4.173549|3.374562|3.087713|3.276281|3.989124|5.833080|0.301921|0.500000| |17.564022|8.834809|0.173455|6.882932|6.355168|3.659396|6.198074|2.942137|0.080585|2.772641|3.119223|2.158663|2.439927|2.322137|1.999746|2.715612|0.050520|0.059315|2.024455|2.360822|2.080855|3.827331|1.793325|1.645742|1.465545|2.561964|1.517628|1.726582|12.559692|5.542941|5.268802|3.927925|3.343658|3.395211|4.154560|6.196422|0.301037|0.300258|0.500000| |7.027830|8.886727|0.174456|17.558424|12.402892|6.451698|10.560468|4.489455|0.124086|3.809962|4.084508|2.883616|3.463065|3.319827|2.689490|3.577270|0.064588|0.079277|2.627964|3.201362|2.577345|4.600013|2.174024|1.925385|1.695881|2.963286|1.792142|2.082011|12.863036|4.784453|4.031267|3.127278|2.837704|3.053886|3.878025|5.332836|0.142479|0.173736|0.210442|0.500000| |6.799342|8.856738|0.215735|17.649653|12.539201|7.322585|13.501338|4.650905|0.116483|3.989335|4.249225|2.994322|3.725598|3.443287|2.847159|3.991384|0.071528|0.090468|3.004756|3.736583|2.656719|4.732830|2.225180|1.991370|1.738497|2.979979|1.782297|2.063599|10.300888|4.254754|3.477899|2.831134|2.688313|2.990200|3.783868|5.115489|0.139857|0.202144|0.166876|0.301760|0.500000| |4.739577|7.400272|0.186558|9.140532|26.030670|9.404645|10.850651|7.507773|0.198562|7.110143|6.339428|4.034128|4.692749|3.920422|3.021658|3.948167|0.069858|0.083700|3.089182|4.072400|3.847139|7.025683|2.986979|2.561122|2.164133|3.766388|2.296633|2.808987|14.776151|5.713667|4.229358|3.372918|3.265380|3.802060|5.184637|6.030021|0.113561|0.115807|0.123609|0.205453|0.181078|0.500000| |3.115114|4.114391|0.126046|4.492349|8.711918|6.913826|9.271467|8.704884|0.174633|17.572352|12.326536|6.110878|6.489561|4.339027|3.487149|4.780155|0.083401|0.096198|4.273064|6.315009|6.771367|12.150319|4.473582|3.745754|2.918348|4.806970|2.883657|3.670305|7.290373|3.658032|2.906597|2.584093|2.706157|3.270525|4.008024|5.283612|0.080032|0.082754|0.079015|0.104629|0.117273|0.186575|0.500000| |3.056911|4.035122|0.115005|4.360759|8.633160|6.202880|8.010622|8.675216|0.223057|17.626169|12.375075|5.975059|5.691988|4.177171|3.253258|4.155148|0.073533|0.083113|3.445194|4.619430|7.206335|13.314957|4.682565|3.726587|2.951552|5.112436|3.171586|4.245717|7.981319|3.996227|3.197228|2.812659|2.899511|3.444971|4.235958|5.605861|0.078906|0.078285|0.080160|0.107665|0.106079|0.221842|0.303610|0.500000| |2.031753|2.399197|0.068554|2.704321|4.568154|4.082411|6.718614|5.720911|0.142847|5.817785|12.334820|17.600082|8.660608|6.223131|5.837824|7.101433|0.123999|0.120644|6.581601|7.174817|6.760778|8.556018|6.665800|4.680473|3.920775|6.347043|4.141326|5.107549|4.269089|2.192914|1.915476|1.759573|1.803400|2.025931|2.274161|3.696369|0.052584|0.055390|0.054244|0.070081|0.073987|0.092800|0.140670|0.129127|0.500000| |2.133529|2.539045|0.070536|2.907356|5.031852|4.467427|7.016947|6.821777|0.201519|6.323416|12.269052|17.513193|8.751482|7.145100|5.589648|5.976526|0.104175|0.107893|4.711753|5.512292|6.371116|8.352960|5.925503|4.036213|3.479270|6.124481|4.258079|5.599395|4.652966|2.354335|2.064533|1.874782|1.893347|2.105718|2.385833|3.850039|0.054855|0.057219|0.057907|0.077222|0.077094|0.105144|0.135407|0.150454|0.302516|0.500000| |2.262269|2.643620|0.071260|3.220210|5.407504|5.169253|8.991726|6.708152|0.211896|4.721162|6.704608|7.010348|8.783569|17.566009|8.987335|7.648550|0.127055|0.145393|4.890688|5.473724|3.746551|5.634168|3.440096|2.718125|2.450434|4.317589|2.834795|3.330733|4.688900|2.286982|2.027590|1.806626|1.778811|1.942464|2.225501|3.596748|0.056783|0.061535|0.062583|0.088745|0.087315|0.105361|0.109517|0.114841|0.159660|0.224411|0.500000| |2.573116|3.011158|0.081064|3.876741|6.407362|6.808313|14.247751|7.113759|0.190560|4.607886|5.894156|5.482562|8.867845|17.602700|8.938303|9.471436|0.145844|0.211635|5.620078|6.608606|3.310666|5.185704|2.937386|2.428786|2.166298|3.736229|2.359554|2.736673|5.082831|2.417872|2.120487|1.865669|1.827670|2.003432|2.329310|3.667748|0.063230|0.071498|0.070709|0.105614|0.110207|0.115043|0.114395|0.109172|0.131028|0.146502|0.303726|0.500000| |1.878888|2.140778|0.059583|2.491991|3.978532|3.637139|6.707999|4.380899|0.117518|3.682394|5.762736|6.194511|6.574155|8.700697|17.614889|12.444839|0.221654|0.181049|7.096897|5.748796|3.457978|5.115202|3.455697|2.825603|2.625028|4.460385|2.867177|3.162727|3.718124|1.877662|1.679374|1.532671|1.535375|1.679847|1.878535|3.159660|0.048025|0.052136|0.051160|0.066948|0.070165|0.077268|0.092816|0.087785|0.189980|0.170449|0.212561|0.173122|0.500000| |1.944359|2.180963|0.059692|2.600059|4.025033|3.698302|7.277229|4.057199|0.111464|3.229896|4.625700|4.471609|5.430630|8.782203|17.627354|12.349232|0.224295|0.221250|5.596238|4.856022|2.802790|4.332301|2.708675|2.285677|2.130171|3.672177|2.324047|2.552250|3.732524|1.857450|1.674042|1.514341|1.496512|1.620481|1.820664|3.069835|0.049135|0.054440|0.053568|0.071391|0.074329|0.076241|0.082544|0.078889|0.123534|0.125316|0.211803|0.217442|0.301119|0.500000| |1.945030|2.237365|0.064495|2.544766|4.073111|3.696225|6.782495|4.367521|0.105423|4.059323|6.494515|6.256679|6.555461|5.753486|7.096342|12.460342|0.222221|0.181176|17.625709|8.687254|3.955746|5.851315|3.859270|3.294011|2.932346|4.671796|2.848402|3.170491|3.811359|1.951488|1.718451|1.580649|1.613321|1.798628|2.009069|3.324989|0.050122|0.054515|0.051656|0.065703|0.073043|0.078605|0.110643|0.092373|0.223874|0.139930|0.129768|0.131767|0.218265|0.145526|0.500000| |2.079432|2.370961|0.069210|2.710845|4.207162|3.816324|7.459379|4.049240|0.095196|3.702609|5.306762|4.522496|5.428061|4.869787|5.597771|12.351797|0.224365|0.221365|17.627561|8.793988|3.281137|5.158135|3.052494|2.732122|2.423041|3.881756|2.309033|2.562620|3.905869|1.988909|1.744726|1.598748|1.629543|1.819972|2.043433|3.349098|0.053295|0.059489|0.054625|0.068949|0.080726|0.078649|0.107248|0.085007|0.138762|0.104208|0.107615|0.126204|0.145477|0.126497|0.301457|0.500000| |2.782380|3.353240|0.097952|4.116424|6.895496|7.271481|15.015285|7.042042|0.144329|5.607202|6.859310|5.537614|8.791588|6.568457|5.581731|9.418427|0.145411|0.209851|8.956432|17.637989|3.834330|6.131767|3.223183|2.767254|2.363254|3.883973|2.350304|2.746502|5.373164|2.613097|2.215540|1.970816|1.989999|2.257670|2.647533|3.985538|0.069182|0.079207|0.072210|0.100071|0.124621|0.120394|0.166016|0.120320|0.142657|0.123209|0.135632|0.187284|0.131313|0.125340|0.173298|0.218905|0.500000| |2.480010|3.002504|0.089652|3.425894|5.853693|5.475089|9.277098|6.638498|0.137151|6.824516|9.691131|7.256143|8.756249|5.482340|4.893869|7.646583|0.127143|0.145013|9.011461|17.581392|5.298029|8.077327|4.296065|3.634935|2.959506|4.698112|2.817861|3.367662|5.039185|2.547339|2.155365|1.955617|2.019317|2.325805|2.683361|4.079429|0.063476|0.069069|0.064099|0.083692|0.097978|0.111677|0.211997|0.137188|0.200674|0.143378|0.123357|0.136208|0.130245|0.107601|0.213586|0.211937|0.303566|0.500000| |1.815049|2.119123|0.060951|2.278419|3.741516|3.074471|4.967254|4.007906|0.106018|4.689722|9.923107|7.273776|4.660148|3.764713|3.590010|4.540459|0.085109|0.081660|3.970544|4.224895|8.848809|10.522018|17.534986|8.893613|6.892973|10.391684|6.878618|8.879955|3.873939|2.064746|1.826040|1.716468|1.789083|2.009593|2.191276|3.724304|0.047975|0.048966|0.048434|0.059335|0.061339|0.079105|0.117420|0.116676|0.249488|0.185421|0.104289|0.087635|0.113767|0.084413|0.129512|0.095530|0.095631|0.129567|0.500000| |1.739127|2.011609|0.059335|2.075891|3.305795|2.592723|4.217074|3.111967|0.080160|3.829285|6.725072|4.218350|3.331981|2.724640|2.621531|3.561177|0.068235|0.066444|3.165303|3.372726|6.767330|10.979843|8.777062|17.530764|8.853184|10.127492|4.965304|5.505152|3.661970|2.019083|1.787727|1.719288|1.840805|2.095138|2.221372|3.892611|0.046848|0.047035|0.045739|0.053295|0.056227|0.070185|0.107006|0.099166|0.130237|0.104668|0.073422|0.067490|0.078795|0.063700|0.098213|0.082473|0.081043|0.110013|0.215220|0.500000| |1.757753|2.038222|0.059620|2.069884|3.298036|2.509325|3.996868|3.012102|0.080188|3.797029|6.415057|3.827884|3.037548|2.523245|2.355631|3.111821|0.059302|0.059055|2.654583|2.913539|7.067512|13.294294|8.867520|17.608068|8.878672|12.506816|5.799857|6.824998|3.817551|2.140703|1.906378|1.851135|1.996909|2.270408|2.373570|4.241275|0.047704|0.046857|0.046463|0.053541|0.054969|0.071985|0.102882|0.105482|0.109301|0.100230|0.069898|0.063223|0.069835|0.058177|0.079785|0.068657|0.071845|0.091932|0.174559|0.302662|0.500000| |1.482158|1.679787|0.048414|1.755951|2.749197|2.174421|3.613936|2.593111|0.069782|2.930826|5.074806|3.648851|2.863160|2.521629|2.526630|3.312503|0.065207|0.060866|2.779837|2.780971|4.502821|6.954167|6.796463|8.805531|17.454448|16.561037|7.256547|5.803120|3.068577|1.680390|1.523339|1.466776|1.541658|1.704201|1.794170|3.289398|0.039817|0.040161|0.039646|0.046185|0.047630|0.057967|0.078009|0.077249|0.116215|0.098667|0.070128|0.061763|0.078891|0.062688|0.088895|0.071559|0.067135|0.084146|0.202116|0.214444|0.173451|0.500000| |1.448224|1.634855|0.047378|1.673785|2.593005|1.999093|3.298472|2.331703|0.062801|2.696778|4.445367|3.013351|2.461609|2.160033|2.119414|2.812373|0.055200|0.052833|2.347986|2.411029|4.087422|6.933119|5.518300|8.825560|17.625120|16.956474|5.879134|4.976576|3.011651|1.680825|1.531552|1.495589|1.592056|1.761422|1.820338|3.434937|0.039321|0.039067|0.038613|0.043926|0.045163|0.055247|0.073205|0.073190|0.090881|0.081178|0.060026|0.054138|0.064203|0.053235|0.072377|0.061637|0.059731|0.073697|0.140482|0.210330|0.215826|0.301526|0.500000| |1.513915|1.719863|0.048571|1.825309|2.886113|2.294400|3.777522|2.809540|0.079347|3.066208|5.370049|4.096428|3.087064|2.823738|2.775599|3.409593|0.066387|0.062548|2.720763|2.766123|4.517268|6.690873|6.788771|5.800181|7.252404|16.564280|17.451411|8.821141|3.191332|1.725791|1.574428|1.501279|1.552023|1.695272|1.802590|3.287306|0.040369|0.040685|0.041053|0.048833|0.048870|0.061428|0.077169|0.082586|0.124236|0.123546|0.082677|0.067934|0.088115|0.069561|0.085833|0.067684|0.066778|0.079840|0.201946|0.129960|0.133392|0.217113|0.147861|0.500000| |1.497127|1.695929|0.047600|1.774406|2.786603|2.155840|3.505864|2.599121|0.075043|2.872482|4.774314|3.433186|2.699156|2.481979|2.364798|2.909360|0.056359|0.054632|2.289068|2.394063|4.101711|6.515679|5.506172|4.972708|5.873475|16.965257|17.618907|8.824040|3.207332|1.756563|1.618961|1.556539|1.610391|1.744775|1.834105|3.430095|0.040190|0.039852|0.040793|0.047802|0.046909|0.060354|0.072035|0.080962|0.097100|0.104849|0.073656|0.061201|0.072441|0.060325|0.069654|0.057630|0.059294|0.069015|0.140274|0.109094|0.130045|0.147849|0.132588|0.301359|0.500000| |1.814541|2.115338|0.059882|2.194341|3.560691|2.713100|4.237115|3.397031|0.097344|4.127621|7.091124|4.401241|3.330125|2.852639|2.569699|3.196262|0.060220|0.060670|2.596859|2.892083|7.113430|11.563352|8.843285|6.838159|5.813333|12.547978|8.887547|17.563111|4.080056|2.243439|2.017062|1.926833|2.020191|2.246133|2.392682|4.234270|0.048707|0.047728|0.048938|0.058129|0.057013|0.079519|0.100681|0.121746|0.116355|0.129650|0.083532|0.070459|0.076509|0.064001|0.077321|0.064909|0.071302|0.085900|0.174350|0.139479|0.200908|0.133573|0.130356|0.173658|0.216011|0.500000| |1.832397|2.137874|0.059775|2.295221|3.777599|3.000189|4.718847|3.933003|0.116433|4.440265|8.193829|5.872703|4.074442|3.564268|3.188393|3.779492|0.070603|0.070405|3.012322|3.319856|6.827121|9.412324|8.714035|5.498602|4.965381|10.138590|8.854215|17.515829|4.063803|2.165516|1.943579|1.821434|1.871080|2.064361|2.247538|3.884074|0.048443|0.048518|0.049811|0.061392|0.059978|0.082789|0.103070|0.124040|0.152727|0.197062|0.108450|0.084620|0.097571|0.078481|0.091173|0.072895|0.079808|0.095029|0.214149|0.122745|0.139215|0.129919|0.109121|0.214867|0.210780|0.301765|0.500000| |5.607401|5.410253|0.127223|4.145327|4.990285|2.924712|4.659898|2.626833|0.074261|2.668751|3.054326|2.040729|2.168418|2.020734|1.746890|2.321010|0.043488|0.049121|1.760499|2.041932|2.129359|4.052348|1.837088|1.704279|1.518070|2.697299|1.588772|1.814366|13.071180|8.954419|17.738832|8.897187|5.670479|4.948663|5.655072|9.593257|0.173097|0.118595|0.166955|0.118567|0.096764|0.111806|0.074554|0.082307|0.051214|0.055712|0.056090|0.058878|0.045983|0.046435|0.046268|0.047001|0.059590|0.056981|0.048313|0.046531|0.049321|0.040314|0.040220|0.042109|0.043255|0.052992|0.051867|0.500000| |3.571778|3.495021|0.092641|2.822253|3.611429|2.242434|3.620296|2.107555|0.058962|2.223868|2.643728|1.750989|1.803968|1.670043|1.479451|1.979227|0.037530|0.041390|1.517894|1.727077|1.913762|3.711704|1.682298|1.605217|1.441633|2.565365|1.483214|1.667670|7.490210|5.634455|8.862431|17.745325|8.963302|5.647038|4.950338|16.709792|0.115061|0.083960|0.098529|0.077599|0.069878|0.080437|0.062882|0.068329|0.044781|0.047757|0.046371|0.047690|0.039571|0.039272|0.040473|0.040875|0.049591|0.049061|0.043838|0.043820|0.047154|0.037959|0.038741|0.038991|0.040580|0.049326|0.046764|0.212412|0.500000| 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