Version2.1 2021-01-07T23:23:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc2ccc(cc2)C)C)c3ccccc3)CC(C)C)O C36346793 RHF 6-31G(d) (6D,7F) CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc2ccc(cc2)C)C)c3ccccc3)CC(C)C)O C01[X(C28H40N3O2)] 213 C1 575 CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc1ccc(cc1)C)C)c1ccccc1)CC(C)C)O CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc1ccc(cc1)C)C)c1ccccc1)CC(C)C)O CCCC[C@H](O)C[NH+](CC(C)C)Cc1c(Oc2ccc(C)cc2)n(C)nc1c3ccccc3 InChIKey=MTFAWIREHLAKGH-DEOSSOPVSA-O InChI=1S/C28H39N3O2/c1-6-7-13-24(32)19-31(18-21(2)3)20-26-27(23-11-9-8-10-12-23)29-30(5)28(26)33-25-16-14-22(4)15-17-25/h8-12,14-17,21,24,32H,6-7,13,18-20H2,1-5H3/p+1/t24-/m0/s1 InChI=1/C28H39N3O2/c1-6-7-13-24(32)19-31(18-21(2)3)20-26-27(23-11-9-8-10-12-23)29-30(5)28(26)33-25-16-14-22(4)15-17-25/h8-12,14-17,21,24,32H,6-7,13,18-20H2,1-5H3/p+1/t24-/m0/s1/fC28H40N3O2/h31H/q+1 CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc2ccc(cc2)C)C)c3ccccc3)CC(C)C)O C01[X(C28H40N3O2)] 213 C01 575 CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc1ccc(cc1)C)C)c1ccccc1)CC(C)C)O CCCC[C@@H](C[NH](C[C]1[C]([N][N]([C]1O[C]1[CH][CH][C]([CH][CH]1)C)C)[C]1[CH][CH][CH][CH][CH]1)CC(C)C)O CCCC[C@H](O)C[NH](C[C]1[C]([N]N(C)[C]1O[C]2[CH][CH][C](C)[CH][CH]2)[C]3[CH][CH][CH][CH][CH]3)CC(C)C InChIKey=BGLBMIFFUBPVSH-DEOSSOPVSA-N InChI=1S/C28H40N3O2/c1-6-7-13-24(32)19-31(18-21(2)3)20-26-27(23-11-9-8-10-12-23)29-30(5)28(26)33-25-16-14-22(4)15-17-25/h8-12,14-17,21,24,31-32H,6-7,13,18-20H2,1-5H3/t24-/m0/s1 InChI=1/C28H40N3O2/c1-6-7-13-24(32)19-31(18-21(2)3)20-26-27(23-11-9-8-10-12-23)29-30(5)28(26)33-25-16-14-22(4)15-17-25/h8-12,14-17,21,24,31-32H,6-7,13,18-20H2,1-5H3/t24-/m0/s1 3468.9659988875 -1396.4672276 1-A 19522.6707 122 453 575 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.72604 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1.9635 1.9957 1.9091 1.3996 1.7125 1.6703 1.4086 1.9762 2.4738 1.3259 2.6934 2.9532 1.5639 1.3460 2.4661 1.3978 2.9070 2.6770 2.5858 1.3459 2.2979 2.7014 1.5291 2.2533 1.7703 1.9523 2.2260 1.5675 2.3109 1.8223 2.0489 1.8348 1.6568 2.7174 1.9552 1.5424 1.1535 1.8459 1.8115 2.3883 1.6827 3.4512 1.5947 1.2024 1.2280 1.7403 2.3071 1.3508 1.5694 1.8917 1.1440 1.3096 1.3958 1.3583 1.2937 1.2734 1.3466 1.3448 1.4297 1.8717 1.2301 1.3309 1.4922 1.4747 1.4749 1.3229 1.4169 1.8966 1.3454 1.3594 1.3747 2.0829 1.2589 1.0742 1.0894 1.0964 1.0446 1.2769 1.0624 1.1996 1.2713 1.0822 1.0707 1.0554 1.3679 1.1101 1.0844 1.0900 1.0987 1.0550 2.5878 3.1648 5.8132 7.5461 5.5252 6.2645 5.5246 5.6520 1.0684 1.0603 1.0576 1.0421 1.0407 1.0766 1.0376 1.0433 1.1022 1.0977 1.1035 1.0339 1.1029 1.1013 1.0977 1.0884 1.0860 1.0859 1.0698 1.1022 1.0652 1.1012 1.1027 1.1016 1.1050 1.1076 1.1075 1.1080 1.0870 1.0906 1.0998 1.0901 1.0899 1.0930 1.0953 1.0958 1.0960 1.0981 1.0770 1.0673 0.0003 0.0008 0.0011 0.0021 0.0014 0.0012 0.0023 0.0027 0.0044 0.0052 0.0038 0.0145 0.0101 0.0063 0.0189 0.0235 0.0260 0.0283 0.0369 0.0344 0.0511 0.0606 0.0784 0.1461 0.0398 0.0570 0.0770 0.0632 0.0452 0.1055 0.0912 0.1621 0.1640 0.1978 0.2300 0.2178 0.2906 0.3325 0.3022 0.3018 0.4276 0.2810 0.3598 0.3787 0.3820 0.4304 0.3817 0.5130 0.5531 0.5766 0.5645 0.8048 0.6939 1.0732 1.6187 1.9118 2.0811 1.7044 1.7896 1.1605 0.7236 0.3968 1.7401 1.7771 0.5366 1.0218 1.1513 1.7348 2.2787 1.3791 0.7872 0.7027 1.3542 1.4972 0.6869 1.0832 1.1428 1.1239 0.8496 1.0574 1.0797 0.9143 1.3000 1.6489 0.8934 1.8827 2.0684 1.1007 0.9606 1.7639 1.0100 2.1293 1.9644 1.9334 1.0251 1.7540 2.1256 1.2494 1.8515 1.4622 1.6338 1.8710 1.3407 2.0323 1.6246 1.8599 1.7089 1.5504 2.6281 1.9296 1.5244 1.1502 1.8493 1.8227 2.4952 1.7722 3.6438 1.6886 1.3188 1.3870 2.0029 2.6811 1.5735 1.9040 2.3421 1.4321 1.6465 1.7702 1.7282 1.6550 1.6329 1.7875 1.8247 1.9749 2.6362 1.7512 1.9042 2.1446 2.1358 2.1421 1.9235 2.0653 2.7701 1.9877 2.0255 2.0635 3.1874 1.9283 1.6763 1.7033 1.7160 1.6360 2.0081 1.6728 1.9025 2.0175 1.7186 1.7038 1.6802 2.1844 1.7783 1.7397 1.7525 1.7767 1.7217 4.3322 5.3079 10.1088 13.6947 10.3414 11.8196 10.7128 11.0220 6.3570 6.3704 6.3838 6.3122 6.3072 6.5333 6.3032 6.3410 6.7118 6.7297 6.8542 6.4541 6.9352 6.9280 6.9065 6.8578 6.8506 6.8618 6.7629 6.9827 6.7654 7.0120 7.0372 7.0460 7.2525 7.2760 7.2907 7.3828 7.2603 7.2884 7.3577 7.2984 7.3185 7.3820 7.4169 7.4358 7.4381 7.4842 8.7319 10.5441 0.0118 0.2024 0.1523 0.1943 0.0951 0.4814 0.4087 0.1369 0.3129 0.0397 0.1821 0.4166 0.2753 0.8851 2.2466 0.2671 0.6512 2.5736 1.8821 0.9576 1.2036 3.9101 6.7947 4.7523 22.1720 59.8822 48.3773 30.9015 1.1402 3.6480 0.1517 1.2667 0.9926 3.0725 0.4872 1.5677 3.8841 4.3310 2.3605 3.5522 4.6121 0.7940 0.1009 0.0751 1.5612 0.5927 1.9293 4.5823 4.5487 13.2211 2.1392 0.3085 5.1146 8.1264 1.0028 0.9315 5.0566 6.4294 12.1171 0.1288 27.4461 1.5494 11.1464 9.2002 1.6178 26.0043 14.3247 27.8495 27.1884 0.7804 39.1406 9.9663 26.7907 26.4124 3.5010 26.8769 27.0394 18.2986 14.4048 24.4291 32.4737 5.6177 24.7540 14.8714 0.8102 19.4956 16.9103 0.2302 0.2767 1.3442 1.2735 2.0042 16.5743 6.5044 0.1592 3.6354 4.9900 2.7657 9.9028 4.5690 17.1455 8.8537 4.8716 1.2917 26.5844 3.6685 26.7303 25.8538 35.5755 8.6573 0.3417 0.7846 21.6828 5.8988 46.2561 10.9055 117.3632 8.1403 41.3669 2.2682 8.0131 110.0561 6.2925 7.9050 25.6937 12.0841 1.2262 4.1721 14.0504 4.9029 15.3958 11.1666 13.4944 10.4695 131.7289 29.5494 15.3869 24.9842 34.1507 3.4399 1.5981 56.4485 7.1407 16.1996 19.6721 19.8363 42.1886 43.1326 6.3237 0.6889 18.7467 7.6729 11.2691 2.8129 6.9826 3.3156 10.1233 1.9302 5.7919 13.4790 1.3465 9.7325 17.5372 6.2188 28.1205 242.7555 68.1331 118.3283 302.4857 19.5486 12.8329 4.1367 9.1458 10.7247 19.2013 34.0077 41.6527 31.4592 27.6930 32.1657 1.2930 2.4775 3.2307 25.5917 33.3555 20.6721 22.7768 35.4881 68.2368 26.9376 20.0298 10.7407 43.0796 23.7365 9.7627 18.1650 41.9379 8.4820 7.2865 14.0297 6.6079 2.6726 13.2280 3.5430 12.7321 2.9903 30.0648 8.2010 3.6895 23.6696 6.2308 63.1613 84.4379 2.0764 1.1417 2.2738 1.1581 2.7036 0.6818 4.9092 0.9841 2.1461 1.9744 0.8504 3.8934 0.6728 0.3091 1.9294 0.7897 0.8972 0.2811 0.3049 0.1328 0.2472 1.1933 1.4074 1.4045 0.4245 1.8486 1.8891 0.7585 0.0731 1.3757 1.4680 0.9672 2.9546 3.3111 0.6378 1.0354 1.9618 1.7741 1.0473 0.6697 1.2335 0.7156 0.3426 0.0500 0.3435 2.7583 0.9823 1.8486 1.9221 1.1242 1.4437 3.5726 0.7813 1.7440 4.7760 5.0858 5.0181 3.5862 2.3940 1.6590 0.5466 0.1132 2.0892 5.9817 0.6298 9.9942 8.3114 2.7578 11.5688 2.3365 2.0986 2.6127 3.6436 13.0210 3.1288 6.0922 15.0088 4.9339 4.5562 7.3680 8.1498 2.8186 2.9472 2.5493 2.0119 18.0151 29.4034 3.5138 0.3458 0.0856 0.3398 4.9052 0.6107 13.0002 0.4397 10.9677 2.1037 0.1519 9.7257 0.6057 0.3730 0.9826 5.2308 7.0786 3.7258 4.1653 10.8249 3.3221 3.3199 3.3080 3.7844 3.9543 4.2794 4.2366 5.4056 1.6474 19.6218 1.5071 9.0922 6.2322 2.1482 4.4364 1.0537 4.5978 5.9543 16.9003 3.4964 2.6328 6.5817 2.5927 6.9773 3.0817 3.9531 7.0710 38.1667 12.0187 5.2990 13.4843 10.8785 7.8920 1.7984 8.5546 10.1661 2.3944 1.8635 5.1731 4.7933 5.8357 14.2387 5.8156 11.7913 17.9693 25.2498 34.7966 8.2019 15.0970 19.5210 7.8707 12.5574 28.4477 7.0935 23.8840 6.0164 0.1614 6.3705 2.0284 14.6653 57.2047 5.4510 6.9453 8.4112 114.4761 43.0701 43.5994 89.4486 9.4615 132.1528 11.9294 46.7587 183.4432 197.9008 133.1866 10.2354 18.6676 133.5791 106.9271 25.6678 19.5212 43.6116 16.9806 26.5909 45.4135 114.5904 144.5252 36.1204 61.4736 156.6607 67.3987 49.8336 14.5475 59.2990 31.0143 76.7541 45.1762 60.1037 118.1882 53.2624 72.0946 117.6027 79.9989 247.4687 16.0652 53.2795 0.7472 0.7139 0.7198 0.7062 0.7455 0.6521 0.7347 0.7398 0.6744 0.6673 0.7114 0.7199 0.7337 0.4951 0.7500 0.7497 0.4501 0.7379 0.5239 0.3219 0.5769 0.3196 0.2851 0.5020 0.7103 0.2372 0.3061 0.3397 0.6466 0.7154 0.7316 0.6474 0.2370 0.6520 0.4961 0.7441 0.7063 0.5250 0.2123 0.5633 0.7026 0.0751 0.5457 0.7484 0.3044 0.0167 0.1719 0.3608 0.5158 0.4486 0.6434 0.5218 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12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11267.8988 26386.0365 30278.5133 0.99996 -0.00791 -0.00521 0.00779 0.99968 -0.02416 0.00540 0.02412 0.99969 1 0.00769 0.00328 0.00286 0.16017 0.06840 0.05960 14.29 24.48 30.53 42.41 45.13 52.53 55.78 58.88 71.22 79.73 83.76 107.39 115.37 125.17 139.80 149.61 158.05 173.55 186.47 224.46 234.54 259.44 296.98 341.08 344.87 348.06 362.07 364.81 376.11 386.23 388.52 419.49 436.31 461.02 481.42 508.49 536.64 562.47 587.69 610.18 621.55 623.36 656.00 665.26 673.36 693.35 715.70 751.26 779.94 803.25 807.06 832.54 902.38 959.76 976.53 989.30 1037.70 1050.57 1086.74 1117.23 1121.60 1133.63 1162.38 1208.68 1231.74 1249.73 1259.23 1278.68 1299.89 1320.75 1338.43 1350.71 1350.97 1367.13 1384.09 1392.20 1418.40 1438.21 1460.35 1472.93 1507.02 1510.16 1520.31 1530.30 1538.63 1567.12 1568.70 1572.53 1583.49 1585.25 1593.37 1604.21 1605.68 1620.81 1635.81 1637.65 1662.71 1694.30 1699.08 1703.53 1714.75 1718.45 1733.54 1757.82 1769.82 1785.89 1808.97 1813.27 1843.37 1862.14 1863.44 1871.80 1876.13 1880.22 1915.92 1923.59 1926.01 1928.82 1963.02 1992.09 2010.87 2020.64 2023.03 2064.62 2085.65 2097.22 2101.78 2110.89 2114.28 2120.12 2122.59 2159.60 2183.36 2203.03 2224.52 2236.47 2242.04 2247.13 2255.77 2258.92 2260.24 2262.97 2265.28 2278.34 2288.00 2296.49 2318.75 2319.89 2341.56 2343.77 2344.97 2345.75 2350.63 2352.05 2360.51 2361.31 2362.09 2364.56 2365.01 2368.68 2372.39 2374.21 2376.74 2383.63 2394.50 2425.27 2427.49 2471.78 2525.12 2564.40 2574.71 2610.17 2617.57 4572.13 4594.58 4605.19 4613.27 4614.43 4617.48 4619.97 4621.15 4625.57 4641.10 4671.63 4683.15 4700.40 4701.26 4701.74 4705.01 4707.72 4711.86 4712.87 4717.88 4723.86 4729.96 4735.25 4740.47 4802.14 4804.20 4809.31 4838.51 4844.25 4845.67 4848.30 4849.97 4857.28 4871.25 4877.57 4882.81 4883.09 4893.49 5337.17 5891.56 0.688581 0.721909 0.722853 0.617514 -1395.778647 -1395.745318 -1395.744374 -1395.849714 3.533121D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc2ccc(cc2)C)C)c3ccccc3)CC(C)C)O C36346793 RHF 6-31G(d) (6D,10F) C1 450.312053 |X|Y|Z| 113.420978 66.026961 47.945467 71.075635 18 6 7 8 15 2 1 |36.858105| |12.468791|36.858105| |7.485160|12.449078|36.858105| |4.869551|7.479165|12.435025|36.858105| |3.734733|4.863511|7.453627|12.484383|36.858105| |3.674455|4.559651|6.938489|8.898651|17.598115|0.500000| |2.974657|3.759207|4.880422|7.553052|12.454760|0.245852|36.858105| |2.508473|2.992560|3.772569|4.950161|7.637949|0.191491|12.692572|53.358707| |2.569130|3.020692|3.889598|4.877669|7.812779|0.197362|9.399677|25.716006|0.500000| |2.335837|2.717252|3.360845|4.136032|5.842035|0.175537|7.641385|17.041403|0.256554|36.858105| |2.065678|2.324714|2.816400|3.252368|4.327258|0.130708|4.984010|10.222515|0.200495|12.803218|36.858105| |2.037819|2.237546|2.712314|2.979077|3.866807|0.121050|4.009431|7.258516|0.158884|7.231721|13.349243|36.858105| |1.793736|1.942786|2.292875|2.483217|3.079192|0.093355|3.221838|5.620270|0.120806|5.170127|8.488039|14.651257|53.358707| |1.688856|1.845489|2.150525|2.376740|2.917092|0.085920|3.206526|5.711458|0.117333|5.246635|8.698854|8.992248|19.351632|53.358707| |1.804310|2.008619|2.359392|2.690995|3.378037|0.098371|3.931008|7.484740|0.144849|7.434817|13.853108|8.683181|11.786537|19.555139|36.858105| |1.698072|1.900026|2.190428|2.529024|3.080664|0.086898|3.729712|6.831870|0.125662|6.119580|7.795360|5.423785|7.464519|11.078135|14.249208|73.516695| |1.582080|1.760135|1.992531|2.277371|2.678370|0.076140|3.190082|5.363918|0.098139|4.830444|5.550146|4.306010|6.063685|8.347541|8.041074|24.341935|36.858105| |1.458142|1.617564|1.802054|2.052166|2.353446|0.065677|2.793287|4.518890|0.083457|3.750872|4.068496|3.330930|4.715255|6.122778|5.334870|14.408566|13.768054|36.858105| |1.361337|1.500638|1.649337|1.858006|2.083156|0.058410|2.425511|3.761682|0.069961|3.111499|3.284237|2.807187|3.972686|4.893085|4.023592|9.349639|7.994435|13.805084|36.858105| |1.360355|1.493025|1.636995|1.828906|2.037929|0.058010|2.336077|3.561757|0.066363|3.036313|3.191089|2.786858|3.934283|4.710908|3.788409|8.118822|6.846939|7.869273|13.657216|36.858105| |1.461321|1.605455|1.779207|1.987405|2.244476|0.065017|2.562393|3.951384|0.073369|3.546983|3.793881|3.301207|4.641766|5.560194|4.504546|9.196168|7.996839|6.898879|8.004625|13.756148|36.858105| |1.585982|1.754498|1.979901|2.235819|2.601060|0.075779|3.016549|4.874418|0.089683|4.624609|5.218873|4.287351|6.001748|7.649681|6.686713|13.912851|13.834264|7.925070|6.885389|7.857581|13.697238|36.858105| |1.254423|1.366569|1.478479|1.633090|1.784325|0.050730|2.009850|2.981278|0.056131|2.482969|2.565527|2.309748|3.250901|3.742472|2.922967|5.960587|4.437324|5.010310|7.546409|12.608220|7.532243|4.992594|36.858105| |1.497186|1.619145|1.849550|2.018531|2.396106|0.069563|2.612043|4.424793|0.090620|3.803624|5.272129|5.453965|10.737056|17.869816|7.598842|11.410618|5.633826|4.542836|3.723286|3.542723|4.014576|5.115912|2.844021|36.858105| |2.255175|2.440048|3.015575|3.175887|4.106482|0.136086|3.866533|6.364350|0.144965|5.779419|7.264128|12.844852|10.715479|7.332152|5.218703|6.853857|3.275530|2.668377|2.333520|2.349689|2.741552|3.351165|2.012003|3.955838|36.858105| |2.134256|2.256033|2.711740|2.765418|3.361186|0.110978|3.143443|4.862751|0.106056|4.361220|5.155373|7.667746|8.636724|6.143049|4.180449|5.784189|2.923753|2.417385|2.174032|2.238966|2.628902|3.111191|1.951766|3.585291|13.686220|36.858105| |2.264755|2.334654|2.791047|2.724389|3.194282|0.105864|2.861715|4.205810|0.092121|3.557540|3.880963|5.066360|5.980180|4.642235|3.237643|4.720635|2.426872|2.066126|1.887886|1.945356|2.241131|2.567940|1.730695|2.859761|7.910447|13.767109|36.858105| |2.606448|2.655529|3.250283|3.054761|3.570788|0.119373|3.028947|4.328745|0.097199|3.467972|3.607517|4.462551|5.130688|4.129281|2.967672|4.408772|2.239031|1.933464|1.760903|1.791931|2.030707|2.316883|1.600104|2.553223|6.837974|7.929961|13.737092|36.858105| |2.836745|2.969854|3.815192|3.634072|4.500675|0.152277|3.652715|5.278012|0.124284|4.057220|4.139814|5.041785|5.477967|4.435169|3.274219|4.824958|2.382879|2.052639|1.840630|1.845354|2.079102|2.408203|1.631323|2.675637|7.899539|6.874305|7.946622|13.758302|36.858105| |2.591403|2.812222|3.619046|3.732843|5.008503|0.168841|4.302686|6.800138|0.167287|5.402730|5.821591|7.600545|7.309988|5.691323|4.263878|5.982942|2.848966|2.396683|2.103289|2.090639|2.377958|2.839751|1.812750|3.243309|13.706746|7.947523|6.888215|7.940336|13.744483|36.858105| |2.173016|2.554322|3.048224|3.865892|5.071889|0.125484|7.634298|17.220140|0.258242|7.588625|6.046219|4.362155|5.063775|5.538649|5.410522|10.062162|4.298238|3.792811|3.052709|2.765427|2.958654|3.623101|2.292186|3.300051|3.666597|2.935936|2.556772|2.592278|3.049864|3.766896|36.858105| |2.146278|2.505305|2.948481|3.648719|4.543010|0.108320|5.932435|10.172135|0.204193|4.939298|4.393976|3.572809|4.306677|4.589335|4.081046|7.474367|3.347105|3.114695|2.580657|2.327981|2.430753|2.863594|1.983657|2.872154|3.158130|2.573692|2.305094|2.388664|2.830023|3.379751|12.430241|36.858105| |2.087031|2.373412|2.817109|3.299669|4.147633|0.102710|4.736113|8.325002|0.199765|4.451945|4.389577|3.824505|4.680891|4.851134|4.079280|7.021547|3.097781|2.850618|2.371648|2.157267|2.268073|2.678363|1.847974|3.041356|3.408667|2.730384|2.443461|2.554442|3.080637|3.728788|7.481343|12.423318|36.858105| |1.870671|2.151510|2.435541|2.927554|3.395935|0.083640|4.263215|6.726252|0.130417|3.827473|3.555768|2.951983|3.727982|4.092650|3.560514|6.979745|3.254538|3.215379|2.672481|2.344784|2.369808|2.723960|2.011430|2.691173|2.595778|2.191895|1.974966|2.017954|2.317196|2.692819|7.679389|12.422619|7.545664|36.858105| |3.504754|4.279795|6.260176|7.763810|13.511133|0.265168|8.032886|9.424337|0.242018|5.062838|4.186463|3.909507|4.288852|4.005726|3.320170|5.313751|2.542573|2.252573|1.978099|1.912732|2.087175|2.423388|1.676128|2.429285|4.204296|3.352309|3.203987|3.686718|4.924054|5.522757|4.969194|4.952141|4.990082|3.562929|73.516695| |17.569576|8.793157|5.464453|4.046587|3.167032|0.085996|2.635689|3.052749|0.063228|2.098483|1.867358|1.835285|2.223854|2.110173|1.652960|2.791280|1.474630|1.369981|1.287256|1.287117|1.374405|1.478968|1.194903|1.387013|2.004713|1.911608|2.018312|2.281221|2.444615|2.261117|1.982507|1.965729|1.901385|1.742213|5.290377|0.500000| |17.545541|8.774862|6.780395|4.500643|3.620272|0.103371|2.880586|3.356733|0.070124|2.353984|2.094133|2.090193|2.499783|2.334158|1.821837|3.024981|1.591920|1.458751|1.365644|1.374288|1.485747|1.611197|1.268577|1.517792|2.348160|2.258695|2.438243|2.823842|3.005568|2.686253|2.114979|2.056629|2.011079|1.792223|5.963737|0.301912|0.500000| |17.543804|8.772957|6.778786|4.497278|3.617660|0.098005|2.865878|3.354862|0.071353|2.271522|2.037268|2.028574|2.439156|2.286618|1.782894|2.972046|1.546999|1.427500|1.327716|1.320700|1.415723|1.541320|1.215966|1.492377|2.255760|2.124860|2.265355|2.644619|2.911878|2.629563|2.146532|2.155856|2.133636|1.873768|6.373899|0.301914|0.301540|0.500000| |8.860028|17.518424|8.856994|6.887736|4.544329|0.120925|3.697640|3.971131|0.079849|2.705584|2.291254|2.184224|2.587271|2.474806|1.988860|3.368764|1.775783|1.633782|1.526006|1.527325|1.643680|1.784230|1.403244|1.598121|2.357973|2.201287|2.263670|2.521339|2.763534|2.651635|2.502284|2.405292|2.240840|2.090784|6.761428|0.213106|0.210749|0.172935|0.500000| |8.859887|17.514188|8.852875|6.876144|4.539049|0.112621|3.666939|3.967979|0.081661|2.583249|2.217823|2.114600|2.520608|2.418692|1.938820|3.296596|1.714495|1.590547|1.474007|1.455269|1.550971|1.691337|1.333502|1.568706|2.264989|2.077603|2.124136|2.392019|2.690466|2.597266|2.554581|2.567051|2.412742|2.222470|7.371867|0.213133|0.172950|0.210683|0.303892|0.500000| |6.890484|8.857377|17.528010|8.822612|6.830710|0.173431|4.507512|5.001556|0.109565|3.211796|2.771439|2.715687|3.139789|2.922435|2.329532|3.820341|1.934724|1.753748|1.597410|1.575824|1.706697|1.905487|1.421753|1.851239|3.048944|2.716067|2.815892|3.359493|4.061451|3.777385|3.003744|2.999016|2.961134|2.457563|12.395921|0.140739|0.169502|0.204347|0.173765|0.211516|0.500000| |6.875192|8.848337|17.517950|8.864880|6.859051|0.209660|4.571080|5.012743|0.105392|3.459159|2.920360|2.868865|3.272267|3.024060|2.419007|3.936089|2.025135|1.813141|1.664988|1.669214|1.833387|2.042282|1.507772|1.900689|3.287922|3.010978|3.166346|3.746141|4.323806|3.950321|2.922327|2.751836|2.661036|2.284661|10.018876|0.140549|0.203899|0.169048|0.211700|0.173618|0.304274|0.500000| |4.541906|6.871116|8.850175|17.526522|8.916693|0.211531|7.077138|6.301864|0.120139|4.096894|3.164218|2.858700|3.265145|3.158253|2.644917|4.475215|2.311850|2.085534|1.906800|1.893264|2.061835|2.299001|1.696943|1.978939|3.004021|2.669330|2.616563|2.858941|3.278223|3.383360|3.689917|3.355991|2.967305|2.777438|10.074259|0.108825|0.119885|0.111339|0.207799|0.171104|0.173419|0.212364|0.500000| |4.530300|6.857801|8.806148|17.475422|8.883886|0.174365|6.899877|6.299982|0.126657|3.708633|2.979206|2.706216|3.132724|3.043980|2.531425|4.313640|2.183199|1.999905|1.810023|1.762531|1.888543|2.111314|1.579001|1.923932|2.815117|2.453931|2.403524|2.668790|3.150751|3.266761|3.872976|3.852320|3.408820|3.118182|12.498560|0.108646|0.111167|0.119366|0.171520|0.207029|0.209723|0.173324|0.303840|0.500000| |2.877123|3.631837|4.504227|6.734581|8.723362|0.211633|17.616835|12.346529|0.184683|7.559663|4.766557|3.793476|4.202309|4.234741|3.841698|6.622610|3.313965|2.892518|2.547634|2.488876|2.750947|3.210853|2.142442|2.554138|3.628678|3.052237|2.775701|2.872929|3.331782|3.845779|6.419218|4.808403|3.867397|3.788492|10.182990|0.071708|0.078363|0.075329|0.103693|0.097003|0.110718|0.121153|0.206739|0.165895|0.500000| |2.894048|3.681984|4.548475|6.983293|8.871253|0.174093|17.652916|12.351094|0.207693|5.664478|4.131645|3.397127|3.869421|3.917050|3.473666|6.086506|2.953026|2.672524|2.329323|2.210877|2.369806|2.739468|1.919053|2.411006|3.250532|2.700518|2.490526|2.642652|3.146255|3.606226|7.664619|6.854860|4.997112|4.896095|12.638429|0.072241|0.076078|0.078011|0.099842|0.104303|0.119169|0.112792|0.178285|0.209875|0.301972|0.500000| |2.572624|3.001409|3.806706|4.628060|6.665557|0.229716|7.523634|12.370430|0.215931|17.653541|9.006926|6.831951|6.492413|6.119227|5.664288|8.314077|3.988040|3.186436|2.751506|2.758755|3.243002|4.054951|2.313744|3.366218|6.417281|4.915827|4.070794|4.001963|4.686346|6.138973|5.608501|4.115980|3.820215|3.248303|9.518246|0.063467|0.073068|0.068855|0.083430|0.077355|0.099009|0.112897|0.128886|0.109365|0.216271|0.148114|0.500000| |2.200025|2.565907|3.070028|3.804110|4.942413|0.143121|6.833271|12.438101|0.182230|17.616313|8.905548|5.552454|6.024388|6.515654|6.901793|11.725095|5.579388|4.279156|3.543729|3.466711|4.079036|5.371766|2.783728|3.647899|4.507200|3.690464|3.080587|2.967900|3.339749|4.164724|7.276560|4.618346|3.937674|3.812550|7.425124|0.055617|0.061439|0.058856|0.072327|0.068239|0.080162|0.087096|0.109208|0.096619|0.216178|0.149913|0.301635|0.500000| |1.440698|1.599819|1.779998|2.031855|2.328408|0.064010|2.775825|4.515438|0.084121|3.561602|3.838287|3.156244|4.458832|5.734942|4.957480|13.336471|8.944309|17.733486|8.884923|5.605373|4.966789|5.652708|4.081310|4.295402|2.547350|2.281289|1.966537|1.863959|1.998763|2.332859|3.977728|3.363753|3.067932|3.622141|4.023215|0.037634|0.039798|0.039357|0.044639|0.044023|0.048445|0.049295|0.056843|0.055653|0.078353|0.075257|0.083453|0.110153|0.500000| |1.284727|1.412120|1.538623|1.726184|1.911632|0.053165|2.211608|3.375348|0.063281|2.707009|2.820955|2.452523|3.466144|4.173901|3.365593|7.575667|5.679737|8.981638|17.708801|8.898074|5.672146|4.957837|7.006841|3.218774|2.078000|1.942952|1.710162|1.608301|1.680814|1.900680|2.768466|2.410709|2.216234|2.556701|3.247316|0.033900|0.035683|0.034855|0.039870|0.038734|0.041493|0.042919|0.049138|0.047107|0.064158|0.059877|0.067170|0.084383|0.215249|0.500000| |1.446494|1.579544|1.741839|1.924367|2.150393|0.062954|2.407027|3.631932|0.068005|3.266699|3.451623|3.112520|4.350692|4.970432|3.897971|7.437444|5.686685|4.965574|5.668677|8.931168|17.717648|8.959953|6.969615|3.572113|2.664329|2.625480|2.258985|2.027623|2.043323|2.303020|2.647554|2.203453|2.071599|2.128141|3.535303|0.037854|0.041097|0.038802|0.045119|0.042152|0.046238|0.050257|0.055767|0.050467|0.072200|0.061531|0.085867|0.102606|0.107762|0.124320|0.500000| |1.680229|1.855826|2.116757|2.377007|2.801123|0.083603|3.190119|5.177953|0.096012|5.242024|6.137213|5.141528|7.040419|8.532244|7.328717|12.516185|8.896705|5.632326|4.959687|5.617859|8.900341|17.732507|4.080249|5.230539|3.955913|3.706495|2.973341|2.626020|2.707122|3.226614|3.631890|2.853362|2.707949|2.629897|4.606117|0.043267|0.047756|0.045302|0.052395|0.049225|0.056465|0.061428|0.067862|0.061392|0.094467|0.078512|0.131372|0.163874|0.124161|0.107627|0.216729|0.500000| |1.182674|1.281314|1.383629|1.517930|1.656641|0.047010|1.849592|2.752177|0.052407|2.263994|2.374615|2.172651|3.104957|3.573593|2.724238|5.510351|3.980780|4.583664|6.671675|8.845970|5.903793|4.297330|17.553021|2.797620|1.897781|1.847348|1.643630|1.519941|1.546389|1.712681|2.125381|1.869914|1.763334|1.908927|2.797492|0.031332|0.033199|0.031972|0.036390|0.034803|0.037173|0.039139|0.043514|0.040905|0.054120|0.049302|0.058641|0.069203|0.107690|0.188449|0.152960|0.099699|0.500000| |1.256426|1.363678|1.472326|1.615712|1.757380|0.050382|1.957628|2.876008|0.054307|2.420175|2.491568|2.275598|3.190056|3.598062|2.781274|5.480793|3.969385|4.164253|5.566169|8.839778|7.224556|4.732117|17.589376|2.705514|2.008098|1.976633|1.760108|1.616989|1.632650|1.801235|2.165346|1.873602|1.754081|1.873932|2.919429|0.033264|0.035461|0.033741|0.039027|0.036784|0.039204|0.041969|0.046833|0.043128|0.058270|0.051554|0.063712|0.074997|0.095732|0.140466|0.221266|0.112848|0.301997|0.500000| |1.243308|1.358394|1.460019|1.618759|1.751933|0.049419|1.983861|2.902523|0.054379|2.375350|2.398741|2.143313|2.973198|3.390157|2.686521|5.512092|3.975430|4.603439|6.748168|8.842638|5.844145|4.272005|17.555918|2.537824|1.885084|1.818615|1.627394|1.520076|1.556822|1.721927|2.251876|1.960480|1.804951|2.010054|2.914452|0.033013|0.034808|0.033409|0.038871|0.036966|0.038896|0.041151|0.046929|0.043728|0.059026|0.053112|0.061543|0.074467|0.108301|0.192678|0.150681|0.098996|0.302247|0.301906|0.500000| |1.442492|1.552530|1.760005|1.907394|2.232341|0.065375|2.414908|3.974462|0.080415|3.474425|4.603740|4.826213|9.086359|12.412511|6.172705|9.680034|5.410292|4.390860|3.803925|3.795828|4.417819|5.437755|3.066123|17.616705|3.680053|3.511574|2.816870|2.467614|2.522499|2.986859|2.917117|2.533341|2.629019|2.389740|3.962016|0.037241|0.040825|0.039773|0.042822|0.041620|0.048616|0.050575|0.052444|0.050281|0.066700|0.061764|0.087761|0.094575|0.110519|0.090553|0.111504|0.156368|0.084276|0.082167|0.074364|0.500000| |1.450751|1.576396|1.788908|1.970556|2.322782|0.066298|2.583045|4.375108|0.088260|3.650259|4.806781|4.562893|7.916093|12.505478|7.145305|12.897133|6.412506|5.475404|4.277738|3.846871|4.158832|5.233413|3.031740|17.658476|3.407926|3.059233|2.510671|2.292181|2.426563|2.912449|3.422338|2.993095|3.122236|2.893119|4.180064|0.037482|0.040607|0.040138|0.043294|0.042730|0.049665|0.050574|0.053792|0.052735|0.070264|0.067280|0.087947|0.100013|0.148607|0.102896|0.099175|0.137177|0.083522|0.078064|0.075395|0.299652|0.500000| |1.464142|1.570743|1.792281|1.931821|2.282638|0.066126|2.436525|4.077364|0.085685|3.380490|4.560091|5.042165|10.088397|12.592645|5.849970|8.797706|4.311667|3.685501|3.114031|2.965934|3.278733|3.973387|2.469606|17.661126|3.858369|3.527865|2.855912|2.563310|2.681045|3.215535|3.021865|2.728100|2.985105|2.551959|4.196787|0.037670|0.041218|0.040806|0.042788|0.042329|0.050321|0.051109|0.052133|0.051303|0.065320|0.062925|0.084820|0.088182|0.100083|0.077122|0.083175|0.113923|0.068194|0.065689|0.061989|0.299666|0.299624|0.500000| |1.931620|2.040259|2.400262|2.472383|2.946986|0.094999|2.853247|4.431210|0.094061|4.054371|4.940160|7.122767|9.206426|6.568321|4.279431|5.931619|3.079356|2.525007|2.290574|2.394346|2.856357|3.371963|2.084733|3.919371|8.921034|17.738253|8.917931|5.642627|4.954329|5.653807|2.766053|2.408103|2.527043|2.094383|5.155818|0.048617|0.056626|0.053151|0.055870|0.052546|0.066200|0.073243|0.067329|0.061671|0.078404|0.068894|0.122734|0.099089|0.065297|0.056491|0.080205|0.113831|0.054904|0.059055|0.053347|0.110739|0.090734|0.105885|0.500000| |2.110495|2.145473|2.498830|2.420110|2.751546|0.089390|2.499744|3.621342|0.077967|3.045744|3.295730|4.127790|5.154422|4.133996|2.858394|4.262855|2.240642|1.928403|1.787311|1.859157|2.136586|2.399385|1.674523|2.634743|5.637132|8.936870|17.725438|8.910696|5.649497|4.960547|2.256411|2.046860|2.151875|1.785250|4.856940|0.052821|0.063499|0.058430|0.058255|0.054291|0.069568|0.078517|0.065393|0.059837|0.068293|0.061282|0.095330|0.075512|0.050806|0.045152|0.060591|0.076727|0.044322|0.047655|0.043672|0.073548|0.064465|0.073241|0.215407|0.500000| |2.675744|2.642002|3.157919|2.865547|3.205649|0.104649|2.704183|3.762693|0.083566|2.946927|3.006599|3.564984|4.246815|3.529743|2.543065|3.871832|1.992368|1.746141|1.606388|1.637038|1.837514|2.061725|1.478595|2.239816|4.934319|5.643350|8.908574|17.724149|8.914084|5.645808|2.300120|2.153188|2.290242|1.842535|5.873076|0.065137|0.081787|0.075923|0.069411|0.065738|0.091184|0.101719|0.074687|0.070011|0.071695|0.066699|0.093303|0.071766|0.046895|0.041051|0.051215|0.064108|0.039121|0.041604|0.039180|0.060545|0.056472|0.062682|0.124114|0.214789|0.500000| |3.175635|3.280081|4.292015|3.892239|4.677574|0.151909|3.621317|5.028228|0.119509|3.643309|3.587657|4.107495|4.608581|3.883849|2.905109|4.403516|2.180488|1.909524|1.717836|1.711022|1.902141|2.178956|1.522946|2.392273|5.634257|4.953300|5.645265|8.904095|17.723275|8.930522|2.942666|2.818248|3.082094|2.301140|9.624838|0.074770|0.092853|0.092835|0.082425|0.082403|0.133726|0.133688|0.094481|0.094179|0.090138|0.088518|0.114706|0.084755|0.052123|0.043934|0.051791|0.066868|0.040173|0.042217|0.040655|0.062464|0.061311|0.066809|0.107558|0.124079|0.214429|0.500000| |2.643642|2.928995|3.828805|4.096598|5.835515|0.183522|5.006893|8.274608|0.228467|5.860574|6.069603|6.974754|6.845691|5.664215|4.414686|6.295629|2.915110|2.473456|2.142119|2.093108|2.348812|2.817210|1.806484|3.225224|8.878915|5.641259|4.962041|5.662689|8.969961|17.728324|4.445611|4.070619|4.649629|3.102043|12.774319|0.063993|0.074467|0.075087|0.075813|0.076457|0.113333|0.111285|0.100008|0.101334|0.117295|0.116875|0.173412|0.122216|0.067917|0.053991|0.062294|0.086964|0.047425|0.049395|0.047961|0.080708|0.082338|0.088744|0.124051|0.107692|0.124502|0.217273|0.500000| |1.976096|2.274072|2.682696|3.261211|4.180568|0.109413|5.640215|12.383138|0.211486|7.525498|7.116501|4.865426|5.838466|6.804665|7.122307|14.111875|5.332439|4.570531|3.488557|3.090253|3.315941|4.208598|2.497044|3.979853|3.816800|3.048910|2.592832|2.568812|2.975668|3.735253|17.687839|8.857199|6.935094|6.894793|7.411385|0.050303|0.053944|0.054361|0.062061|0.062693|0.073809|0.072840|0.087384|0.089310|0.141597|0.149865|0.148152|0.203350|0.135200|0.086449|0.080605|0.115180|0.064528|0.064876|0.067307|0.095056|0.117257|0.098999|0.081255|0.063720|0.062904|0.078184|0.119716|0.500000| |2.139289|2.537463|2.958964|3.813103|4.705460|0.116275|7.406294|12.453488|0.183115|6.652148|5.076214|3.743866|4.431324|4.884625|4.714301|9.328755|4.312258|3.921742|3.207982|2.898438|3.060271|3.666000|2.408102|2.998910|3.213514|2.666774|2.350834|2.369828|2.724773|3.256584|17.603023|8.750640|5.458067|7.133220|7.657395|0.054710|0.057716|0.058000|0.070309|0.070821|0.079172|0.078533|0.105227|0.107305|0.195714|0.218793|0.143417|0.206037|0.113459|0.081164|0.075847|0.099940|0.061323|0.062953|0.066680|0.075467|0.087201|0.075547|0.070708|0.058428|0.059102|0.073266|0.102728|0.302911|0.500000| |2.357464|2.806410|3.306688|4.212684|5.098431|0.114940|6.580116|9.382723|0.189530|4.491963|3.831963|3.214097|3.834910|3.977977|3.459901|6.226353|2.909529|2.719820|2.318186|2.126499|2.221883|2.570400|1.841059|2.509276|2.966922|2.449752|2.240917|2.362977|2.813128|3.265220|8.844342|17.529465|8.893331|8.936099|9.955884|0.059844|0.061846|0.065834|0.074192|0.081326|0.093677|0.083288|0.105188|0.129636|0.142186|0.242000|0.109632|0.117012|0.080191|0.060542|0.056735|0.071786|0.048127|0.048685|0.050853|0.062614|0.071670|0.066635|0.063129|0.055392|0.059786|0.079535|0.109095|0.173973|0.208668|0.500000| |2.285247|2.597566|3.174126|3.678717|4.830690|0.119655|5.135331|9.003005|0.249559|4.742039|4.655984|4.219313|4.976129|4.911135|4.059533|6.612632|2.943679|2.648955|2.232269|2.071137|2.211877|2.618898|1.781827|3.005709|3.913053|3.049293|2.743234|2.931636|3.670344|4.526310|6.628508|8.667856|17.544791|5.461840|11.365504|0.057075|0.061315|0.065405|0.067198|0.072644|0.094599|0.083473|0.089365|0.103572|0.112599|0.143844|0.116759|0.110945|0.077251|0.057558|0.056789|0.075223|0.047137|0.047448|0.048130|0.072651|0.083204|0.082687|0.076521|0.066044|0.072322|0.103227|0.167512|0.167131|0.136433|0.212366|0.500000| |1.907354|2.139421|2.514828|2.891406|3.602303|0.092998|4.105903|7.497351|0.174097|4.422312|4.732761|4.134943|5.257609|5.622744|4.667895|8.039061|3.423400|3.140678|2.560388|2.301623|2.417156|2.889134|1.950929|3.544673|3.516160|2.813694|2.469351|2.525531|2.994197|3.682407|6.845550|8.759160|17.545963|6.772878|7.394402|0.048492|0.051594|0.053986|0.056630|0.059812|0.072783|0.067298|0.073764|0.081295|0.097292|0.115534|0.103269|0.109298|0.095173|0.066180|0.060731|0.080546|0.052002|0.051146|0.052506|0.082736|0.102523|0.097220|0.073374|0.060564|0.062501|0.081275|0.124128|0.208081|0.140678|0.173307|0.300857|0.500000| |2.009300|2.261926|2.629206|3.010215|3.594977|0.088879|3.943258|6.311298|0.146237|3.564796|3.520706|3.184992|3.999036|4.116054|3.345162|5.847987|2.681665|2.530457|2.146392|1.953352|2.028119|2.344040|1.698358|2.676002|2.923294|2.412341|2.203191|2.319459|2.760408|3.211491|5.475090|8.822672|17.579781|6.995362|7.723057|0.051213|0.053369|0.057561|0.058967|0.064723|0.077674|0.068301|0.075059|0.088247|0.091632|0.118855|0.087959|0.089917|0.076094|0.056525|0.051780|0.065411|0.045315|0.044790|0.046301|0.065028|0.076620|0.074039|0.062291|0.054507|0.058701|0.078109|0.108226|0.142012|0.122811|0.212522|0.304172|0.302102|0.500000| |1.863009|2.159872|2.409929|2.933344|3.307606|0.081259|4.258300|6.318479|0.116950|3.685221|3.310502|2.729996|3.438760|3.780450|3.311974|6.634692|3.222016|3.244195|2.740882|2.401881|2.402436|2.719698|2.071815|2.500112|2.419512|2.072970|1.877469|1.912063|2.171261|2.491899|6.992344|8.732900|5.475172|17.555641|5.906659|0.048507|0.049485|0.051344|0.059023|0.062231|0.066441|0.062630|0.079010|0.087505|0.109214|0.139293|0.087753|0.106160|0.100901|0.073385|0.059926|0.072249|0.054217|0.053484|0.058241|0.062764|0.074670|0.065146|0.055327|0.047448|0.048751|0.059864|0.078334|0.168854|0.214919|0.213428|0.121910|0.138723|0.142115|0.500000| |1.820887|2.075896|2.320958|2.732260|3.085577|0.075921|3.671700|5.535520|0.111770|3.222298|3.044336|2.627158|3.352986|3.615642|3.035268|5.804151|2.772821|2.763469|2.353227|2.083948|2.095877|2.369894|1.818446|2.422213|2.364138|2.019080|1.844231|1.899802|2.176616|2.482584|5.546491|8.808393|6.927989|17.584897|5.902662|0.047322|0.048161|0.051078|0.055597|0.060189|0.065874|0.060028|0.071298|0.082029|0.090530|0.117644|0.078398|0.087983|0.085955|0.063325|0.052842|0.063896|0.048339|0.047249|0.050556|0.060078|0.071877|0.064948|0.053470|0.046519|0.048618|0.060785|0.079227|0.141048|0.143775|0.214524|0.141733|0.168211|0.211537|0.302104|0.500000| 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