Version2.2 2021-02-11T21:27:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 16-Dec-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)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H]3C[NH+]4CCC3CC4 C39681953 RHF 6-31G(d) (6D,7F) CCCC[C@@H](C)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H]3C[NH+]4CCC3CC4 C01[X(C23H42N4O2)] 207 C1 519 CCCC[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H]1C[NH+]2CCC1CC2)C CCCC[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H]1C[NH+]2CCC1CC2)C CCCC[C@@H](C)C(=O)N1C[C@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)C4(CC[NH2+]CC4)C1 InChIKey=RTRIAQJYRBTNGZ-RLLQIKCJSA-P InChI=1S/C23H40N4O2/c1-3-4-5-17(2)22(29)27-14-19(23(16-27)8-10-24-11-9-23)21(28)25-20-15-26-12-6-18(20)7-13-26/h17-20,24H,3-16H2,1-2H3,(H,25,28)/p+2/t17-,19-,20+/m1/s1 InChI=1/C23H40N4O2/c1-3-4-5-17(2)22(29)27-14-19(23(16-27)8-10-24-11-9-23)21(28)25-20-15-26-12-6-18(20)7-13-26/h17-20,24H,3-16H2,1-2H3,(H,25,28)/p+2/t17-,19-,20+/m1/s1/fC23H42N4O2/h24-26H/q+2 CCCC[C@@H](C)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H]3C[NH+]4CCC3CC4 C01[X(C23H42N4O2)] 207 C01 519 CCCC[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H]1C[NH+]2CCC1CC2)C CCCC[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)N[C@H]1C[N@@H]2CC[C@H]1CC2)C CCCC[C@@H](C)C(=O)N1C[C@H](C(=O)N[C@H]2C[NH]3CCC2CC3)C4(CC[NH2]CC4)C1 InChIKey=QBUBAWSSBOFREQ-RLLQIKCJSA-N InChI=1S/C23H42N4O2/c1-3-4-5-17(2)22(29)27-14-19(23(16-27)8-10-24-11-9-23)21(28)25-20-15-26-12-6-18(20)7-13-26/h17-20,26H,3-16,24H2,1-2H3,(H,25,28)/t17-,19-,20+/m1/s1 InChI=1/C23H42N4O2/c1-3-4-5-17(2)22(29)27-14-19(23(16-27)8-10-24-11-9-23)21(28)25-20-15-26-12-6-18(20)7-13-26/h17-20,26H,3-16,24H2,1-2H3,(H,25,28)/t17-,19-,20+/m1/s1/f/h25H 3006.2590151819 -1262.5205802 1-A 17329.1474 111 408 519 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.75563 -20.67821 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3.6446 33.8565 18.8591 0.1648 63.1991 2.9323 24.7349 109.9816 34.5249 16.4134 2.7515 20.7374 54.1444 4.9678 5.7567 36.1452 13.2814 9.7946 128.2818 4.8317 15.9407 6.1874 5.2731 0.6119 4.4304 38.2044 20.7765 4.7008 44.1948 10.9855 40.8911 4.0175 16.9982 8.7875 13.5112 3.2970 2.5913 24.0869 33.9437 17.1038 24.5484 2.0573 7.2505 10.1114 215.2181 64.5487 36.0118 74.6421 2.4837 0.4502 1.2754 1.2329 0.0693 3.6506 5.4931 4.0003 6.9559 11.8714 12.2043 12.5627 13.3649 4.3305 24.5601 40.5144 2.5464 251.5586 100.3111 106.7785 228.9677 282.5970 27.7847 6.2876 4.4008 58.6116 25.9207 18.1949 49.3211 8.2217 66.3393 9.5769 24.8678 9.4374 9.6159 6.8240 2.4559 13.1696 27.2939 66.3974 21.3483 20.5039 2.4576 45.7647 73.5473 7.9278 9.8623 3.6533 2.4925 5.9083 1.7087 7.1072 4.0548 17.0322 18.2003 2.2486 2.3187 6.4645 2.6016 1.8415 81.9771 84.7896 88.6839 35.6796 0.2102 0.1826 0.1647 0.0537 0.2752 0.1540 0.2062 0.1980 0.0690 0.0788 0.3050 0.2184 0.0905 0.0829 0.1798 2.2491 0.4433 0.4534 0.3246 1.6853 0.0897 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10.0381 5.4039 3.7451 10.4709 41.6212 6.0300 27.3464 70.5027 156.2127 37.7439 83.8192 23.4653 108.6187 118.2991 4.2280 64.1369 33.2210 82.5099 70.3406 24.5691 43.2418 39.5475 88.2135 21.6904 62.9975 110.1279 48.8998 16.9244 44.0434 176.4391 115.1565 25.2983 93.4043 83.9548 44.6183 60.2411 54.1855 62.2810 21.6157 105.5918 43.7319 39.2554 71.2887 66.4766 51.9407 29.9817 0.7325 0.7419 0.7452 0.7378 0.7359 0.7149 0.7493 0.7475 0.7205 0.7212 0.7408 0.7379 0.3686 0.6404 0.7075 0.0325 0.4041 0.5917 0.3972 0.2397 0.7380 0.4326 0.6085 0.3233 0.2772 0.7260 0.2432 0.3870 0.3621 0.1857 0.2971 0.3623 0.5990 0.3010 0.7460 0.2562 0.7465 0.6362 0.6203 0.6029 0.5486 0.7454 0.4934 0.3281 0.1976 0.5323 0.7260 0.0733 0.3117 0.4488 0.1752 0.0067 0.6452 0.0138 0.1695 0.1928 0.7382 0.1349 0.0144 0.6761 0.5398 0.7494 0.4091 0.2489 0.7080 0.1431 0.2005 0.2812 0.4699 0.6857 0.7499 0.6930 0.6681 0.3947 0.1366 0.7495 0.5073 0.5027 0.5848 0.7147 0.2405 0.7021 0.3461 0.7070 0.6517 0.7341 0.6276 0.4510 0.7482 0.7444 0.4598 0.2622 0.6993 0.7497 0.6079 0.7168 0.7095 0.4559 0.5602 0.5386 0.5323 0.5453 0.7488 0.6934 0.6381 0.5516 0.5388 0.7499 0.6671 0.7480 0.6414 0.4849 0.5213 0.7129 0.6928 0.7160 0.7492 0.7376 0.7365 0.6743 0.7280 0.7485 0.7475 0.6588 0.7150 0.5617 0.7324 0.7382 0.7047 0.6862 0.7500 0.6076 0.6750 0.6325 0.7500 0.7128 0.7342 0.7443 0.7221 0.7395 0.7338 0.7172 0.5543 0.6703 0.7099 0.7401 0.7498 0.7468 0.7483 0.7466 0.7485 0.7315 0.6159 0.7165 0.7499 0.7417 0.7485 0.7367 0.2520 0.7450 0.6619 0.7344 0.7245 0.2432 0.3023 0.3045 0.4758 0.2699 0.4914 0.0117 0.2527 0.1191 0.6539 0.0317 0.6055 0.6065 0.0982 0.3224 0.0524 0.3533 0.7500 0.5108 0.6764 0.0863 0.7418 0.4417 0.4963 0.4263 0.5470 0.3590 0.0430 0.0734 0.7478 0.0327 0.7372 0.7445 0.6569 0.1527 0.6792 0.7003 0.7168 0.7498 0.7078 0.1186 0.2861 0.6483 0.1337 0.8456 0.8518 0.8540 0.8491 0.8478 0.8338 0.8567 0.8555 0.8375 0.8380 0.8511 0.8492 0.5386 0.7808 0.8287 0.0630 0.5756 0.7435 0.5686 0.3867 0.8493 0.6039 0.7566 0.4887 0.4341 0.8413 0.3912 0.5581 0.5317 0.3132 0.4580 0.5319 0.7492 0.4627 0.8545 0.4079 0.8549 0.7776 0.7657 0.7523 0.7085 0.8541 0.6608 0.4941 0.3300 0.6948 0.8412 0.1366 0.4753 0.6196 0.2982 0.0133 0.7844 0.0272 0.2899 0.3233 0.8494 0.2377 0.0284 0.8067 0.7011 0.8567 0.5807 0.3986 0.8290 0.2504 0.3341 0.4390 0.6394 0.8135 0.8571 0.8187 0.8010 0.5660 0.2404 0.8568 0.6731 0.6691 0.7380 0.8336 0.3878 0.8250 0.5142 0.8284 0.7891 0.8467 0.7712 0.6216 0.8560 0.8535 0.6299 0.4155 0.8230 0.8569 0.7561 0.8351 0.8301 0.6263 0.7181 0.7001 0.6948 0.7058 0.8563 0.8189 0.7791 0.7110 0.7003 0.8571 0.8003 0.8559 0.7815 0.6531 0.6853 0.8324 0.8185 0.8345 0.8566 0.8490 0.8483 0.8054 0.8426 0.8561 0.8555 0.7943 0.8338 0.7193 0.8455 0.8494 0.8268 0.8139 0.8571 0.7559 0.8060 0.7749 0.8571 0.8323 0.8467 0.8534 0.8387 0.8503 0.8465 0.8353 0.7133 0.8026 0.8303 0.8506 0.8570 0.8550 0.8560 0.8549 0.8562 0.8449 0.7623 0.8349 0.8571 0.8517 0.8561 0.8484 0.4026 0.8539 0.7965 0.8469 0.8402 0.3912 0.4642 0.4669 0.6448 0.4250 0.6590 0.0231 0.4034 0.2129 0.7907 0.0615 0.7543 0.7551 0.1788 0.4876 0.0996 0.5221 0.8571 0.6762 0.8070 0.1589 0.8517 0.6128 0.6633 0.5977 0.7072 0.5284 0.0824 0.1368 0.8557 0.0633 0.8488 0.8535 0.7929 0.2649 0.8089 0.8237 0.8350 0.8570 0.8289 0.2120 0.4449 0.7866 0.2359 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 6 6 6 6 6 1 6 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 1 6 7 1 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11468.9051 20219.0593 28451.8148 0.99980 -0.01948 -0.00454 0.01948 0.99981 0.00030 0.00453 -0.00038 0.99999 1 0.00755 0.00428 0.00304 0.15736 0.08926 0.06343 21.04 25.70 36.01 52.94 61.88 68.35 82.83 101.98 113.38 130.89 138.59 155.10 189.47 215.35 217.65 262.59 266.37 281.75 298.07 322.32 352.52 360.10 375.01 378.55 414.33 424.02 434.58 487.04 497.80 501.85 516.48 537.39 590.49 620.79 633.23 653.40 693.16 708.86 741.81 761.43 786.69 805.16 816.67 871.44 901.21 961.21 991.86 1031.99 1116.91 1134.04 1155.39 1181.49 1202.36 1214.80 1224.78 1237.27 1259.91 1262.90 1280.10 1288.01 1325.19 1352.58 1355.47 1358.47 1365.47 1375.93 1403.92 1419.15 1438.51 1477.70 1503.40 1508.90 1520.65 1535.93 1551.62 1567.27 1578.96 1587.72 1588.00 1598.58 1606.03 1619.95 1628.78 1633.05 1637.06 1644.05 1646.16 1679.29 1692.24 1718.31 1758.78 1771.21 1777.83 1783.38 1802.10 1823.84 1847.39 1882.42 1887.15 1896.26 1910.28 1917.51 1927.52 1939.18 1961.22 1962.97 1977.03 2005.82 2012.51 2028.37 2034.21 2060.79 2066.41 2069.39 2082.63 2091.00 2098.52 2099.53 2100.30 2106.01 2123.09 2137.58 2137.75 2155.70 2160.30 2166.01 2168.45 2188.84 2192.81 2203.50 2223.77 2228.69 2239.63 2240.28 2248.54 2249.51 2258.56 2262.17 2265.02 2272.44 2282.24 2288.55 2299.06 2347.55 2352.01 2355.32 2355.84 2358.17 2364.28 2365.38 2365.81 2368.41 2369.94 2373.81 2376.44 2382.37 2384.22 2388.23 2415.22 2418.32 2428.30 2432.45 2628.22 2785.33 2807.92 4562.40 4591.28 4594.22 4600.81 4606.55 4607.97 4613.19 4615.04 4631.37 4631.95 4655.48 4656.83 4676.62 4685.53 4685.65 4688.92 4690.93 4694.66 4708.15 4709.66 4714.03 4714.09 4718.96 4723.89 4727.27 4727.88 4729.26 4749.73 4750.38 4752.56 4760.70 4767.26 4781.51 4806.43 4806.56 4813.41 4819.76 4843.74 5266.43 5337.60 5356.19 5547.21 0.703962 0.731756 0.732700 0.642165 -1261.816618 -1261.788824 -1261.787880 -1261.878415 3.036559D-04 MUNgauss RevisionA2.1 retrievium 11-Feb-2021 DUDE CCCC[C@@H](C)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H]3C[NH+]4CCC3CC4 C39681953 RHF 6-31G(d) (6D,10F) C1 406.330777 |X|Y|Z| 102.651261 75.460750 33.123518 63.543913 20 6 7 16 4 |36.858105| |12.468652|36.858105| |7.474742|12.443880|36.858105| |4.869994|7.487704|12.445190|36.858105| |3.718180|4.844643|7.394660|12.378085|36.858105| |3.670729|4.575195|6.897430|8.889202|17.535580|0.500000| |3.426501|4.155209|6.028708|7.414505|12.377683|0.246309|36.858105| |2.984608|3.784352|4.897905|7.626381|12.529516|0.246673|7.709075|36.858105| |2.836065|3.612388|4.371500|6.672934|7.982787|0.163891|6.158499|15.897762|73.516695| |2.570232|3.111176|3.866569|5.206780|7.650655|0.205416|5.701140|13.862828|15.259888|53.358707| |2.481979|2.900325|3.619872|4.424855|6.350391|0.207919|5.110777|7.509240|9.430049|17.901701|36.858105| |2.071715|2.364581|2.806778|3.313517|4.271233|0.129473|3.757882|5.173223|7.529681|11.114265|12.344638|36.858105| |1.961710|2.220007|2.633521|3.078678|3.987321|0.116857|3.755696|4.782421|7.183645|9.478333|8.919489|17.494357|0.500000| |2.001580|2.315381|2.673259|3.243565|3.961129|0.113157|3.389842|5.229446|8.241535|11.029050|7.805830|12.284940|0.248716|36.858105| |2.194085|2.603918|3.058359|3.931164|4.979030|0.131638|4.182105|7.826831|12.685273|17.882750|7.892006|8.103284|0.202784|12.370850|36.858105| |2.040254|2.364432|2.663485|3.197296|3.666010|0.106820|3.014047|4.593429|7.378689|8.510657|6.141432|7.374465|0.152089|12.316857|7.524227|36.858105| |1.900665|2.200981|2.401189|2.872625|3.126374|0.087570|2.624028|3.907156|6.817896|6.462698|4.280871|4.828425|0.113083|7.440519|6.037438|12.484981|36.858105| |1.667786|1.897955|2.061727|2.414725|2.645039|0.073649|2.322969|3.240842|5.743273|5.297124|3.613967|4.350728|0.108579|6.466992|5.100804|7.667433|12.643964|53.358707| |1.594610|1.809467|1.937526|2.255145|2.417363|0.066623|2.140274|2.924073|5.308880|4.581380|3.086425|3.558975|0.090978|4.914774|4.273811|5.666956|9.171452|25.664528|0.500000| |1.594434|1.794434|1.946193|2.238984|2.453182|0.069423|2.171514|2.918446|5.068456|4.773253|3.426045|4.219879|0.104911|5.796478|4.352882|7.013591|9.187260|25.662997|0.328240|0.500000| |1.644139|1.870298|2.061484|2.429824|2.738321|0.075226|2.470703|3.430031|6.120549|5.726757|3.836965|4.851191|0.129230|7.468015|6.010904|6.476430|7.592398|17.222142|0.254732|0.255534|36.858105| |1.729205|1.963810|2.215707|2.610218|3.070197|0.086178|2.780097|3.851586|6.490874|6.977127|4.993007|7.443047|0.199966|12.391272|7.422294|7.573185|6.487909|10.481623|0.157783|0.196223|12.499234|36.858105| |1.919913|2.137274|2.487392|2.798374|3.423146|0.106760|3.076037|3.794806|5.717613|6.980777|7.375167|12.525015|0.252855|7.222984|5.013512|6.077541|4.174462|5.306043|0.089744|0.112550|4.090025|5.834470|36.858105| |1.775080|1.963588|2.230502|2.488371|2.920545|0.089401|2.617255|3.243871|5.066829|5.710791|5.325066|7.905788|0.175543|6.449957|4.351078|6.239767|4.423840|5.821959|0.097333|0.130939|4.276787|5.869033|15.827683|73.516695| |1.934894|2.116754|2.484292|2.705397|3.319261|0.105995|3.090315|3.451073|5.166765|5.946056|6.363580|7.807737|0.195867|4.951023|3.997992|4.344774|3.249215|4.150651|0.072921|0.087471|3.195381|4.221122|13.991620|15.197585|53.358707| |1.740632|1.867129|2.141070|2.272644|2.676179|0.083924|2.537029|2.735083|4.230863|4.467198|4.295570|5.030763|0.133160|3.759615|3.104951|3.491581|2.771101|3.639365|0.065155|0.078427|2.755609|3.465335|7.817847|12.460764|17.827328|36.858105| |1.605271|1.723215|1.957101|2.092061|2.445123|0.074902|2.339705|2.551114|4.019647|4.166661|3.840708|4.751051|0.131098|3.701531|3.013581|3.378715|2.741528|3.722189|0.066626|0.081217|2.861130|3.618196|7.154792|12.601843|12.508522|17.582578|0.500000| |1.728386|1.842866|2.076954|2.180748|2.488389|0.078376|2.300476|2.523377|3.939440|4.042462|3.760728|4.207527|0.105587|3.412636|2.814327|3.438156|2.763638|3.575040|0.064477|0.078295|2.589096|3.122801|6.207153|11.657786|10.458732|12.313417|0.246184|36.858105| |1.654694|1.730877|1.931467|1.978364|2.216593|0.069474|2.087207|2.192243|3.457711|3.389274|3.050049|3.237081|0.083988|2.709170|2.339797|2.727765|2.282603|2.964800|0.054599|0.064276|2.150302|2.512593|4.252145|7.685607|7.143353|7.684073|0.172121|12.662407|53.358707| |1.610398|1.677885|1.848872|1.886161|2.078049|0.064773|1.941264|2.057212|3.272481|3.149963|2.773767|2.922374|0.075199|2.527306|2.189451|2.610422|2.220032|2.878684|0.053387|0.062737|2.054366|2.354491|3.736684|6.979669|5.867974|5.692485|0.137005|9.268263|25.724376|0.500000| |1.492591|1.554646|1.726702|1.769802|1.981659|0.060941|1.908030|1.973864|3.153940|3.030936|2.665518|2.885568|0.077723|2.444588|2.131299|2.399476|2.053068|2.734350|0.050724|0.059324|2.017730|2.346512|3.682051|6.667789|6.093801|6.696393|0.175120|7.690838|17.221199|0.257131|36.858105| |1.523605|1.590502|1.789043|1.838478|2.095651|0.064323|2.060954|2.081893|3.309522|3.205326|2.848679|3.090322|0.086053|2.538969|2.240477|2.399416|2.039186|2.726540|0.050426|0.058429|2.062740|2.440542|3.887054|6.642521|6.850476|7.660774|0.202426|6.387424|10.508629|0.158481|12.356782|36.858105| |1.718768|1.812698|2.080820|2.154029|2.520172|0.078922|2.468966|2.488623|3.868181|3.902606|3.642351|3.912322|0.108328|3.023571|2.657075|2.801039|2.304368|3.024530|0.055249|0.064168|2.304371|2.802944|5.083490|8.011475|10.487356|12.391278|0.246168|7.630589|10.260565|0.149693|7.597551|12.401491|36.858105| |1.883945|1.963476|2.262562|2.283877|2.642820|0.084744|2.568669|2.513581|3.871161|3.842362|3.587846|3.552992|0.095113|2.798561|2.528954|2.674855|2.207220|2.825235|0.051998|0.059396|2.112830|2.512159|4.364547|6.873412|8.441936|7.557152|0.153515|6.708441|10.508309|0.158497|6.369865|7.614560|12.396749|36.858105| |1.806920|1.870215|2.106505|2.113758|2.371334|0.075541|2.250389|2.272284|3.546659|3.447908|3.128044|3.130820|0.081584|2.584009|2.306894|2.579188|2.156656|2.753437|0.050961|0.058570|2.009040|2.338207|3.892183|6.583578|6.787791|6.321365|0.135949|7.694763|17.232551|0.257060|7.705062|6.695796|7.604704|12.361959|36.858105| |17.544860|8.774154|6.767878|4.500432|3.588845|0.097192|3.503272|2.865433|4.856777|3.355040|2.385449|1.999803|0.053256|1.917265|2.110078|1.922443|1.788685|2.160871|0.042161|0.042180|1.581976|1.669536|1.850673|3.028048|2.558892|1.695252|0.043535|1.665998|2.181198|0.043120|1.458093|1.500992|1.691241|1.849803|1.755694|0.500000| |17.533177|8.769393|6.769540|4.493799|3.612825|0.103526|3.294747|2.890758|4.776512|3.472356|2.528871|2.107399|0.055090|2.010892|2.166537|2.063338|1.900843|2.267224|0.044048|0.044544|1.634655|1.731994|1.981817|3.257933|2.745349|1.823605|0.046360|1.826304|2.397066|0.047713|1.575968|1.601309|1.809428|2.013751|1.944624|0.301544|0.500000| |17.566785|8.786704|5.458468|4.047352|3.156502|0.086107|2.915549|2.646979|4.561161|3.142193|2.218908|1.889116|0.049739|1.848077|2.013457|1.899278|1.795915|2.154298|0.042340|0.042068|1.551453|1.614194|1.761176|2.926221|2.401661|1.602170|0.041299|1.601355|2.093085|0.041826|1.392819|1.413312|1.578002|1.718967|1.665546|0.302024|0.301874|0.500000| |8.862026|17.525704|8.863394|6.909269|4.510093|0.112634|4.017471|3.688717|6.557396|4.060807|2.709436|2.245154|0.059162|2.233114|2.550535|2.260803|2.142266|2.534129|0.049669|0.048583|1.845515|1.915924|2.010571|3.296683|2.688805|1.745789|0.045182|1.712291|2.184498|0.043204|1.455610|1.493652|1.691938|1.807479|1.717147|0.210852|0.172913|0.212906|0.500000| |8.858154|17.511340|8.851712|6.880932|4.553785|0.122623|3.710550|3.741225|6.364444|4.270433|2.921728|2.398314|0.061660|2.383116|2.650638|2.497675|2.341541|2.709022|0.052812|0.052264|1.929809|2.010802|2.179563|3.595829|2.904132|1.884742|0.048314|1.885299|2.398289|0.047763|1.571070|1.590757|1.808233|1.956888|1.889932|0.172925|0.210445|0.213051|0.304040|0.500000| |6.867549|8.856746|17.475448|8.827914|6.866230|0.210400|5.501797|4.591730|6.980115|5.250273|3.825641|2.927422|0.075333|2.720014|3.015556|2.738419|2.417733|2.817185|0.053653|0.054827|2.055425|2.237486|2.649887|4.205191|3.660532|2.317739|0.058035|2.268005|2.883286|0.056287|1.868517|1.928723|2.262757|2.515602|2.347695|0.168624|0.203646|0.140483|0.173783|0.212057|0.500000| |6.917334|8.888941|17.537857|8.812939|6.670932|0.168360|6.646014|4.472027|7.201858|4.854831|3.371229|2.653825|0.070721|2.495999|2.860766|2.428381|2.194807|2.616185|0.050260|0.050518|1.949872|2.103752|2.356671|3.739863|3.249082|2.069871|0.052749|1.981254|2.529805|0.049167|1.681167|1.761065|2.044142|2.217822|2.037343|0.205128|0.170122|0.141088|0.212131|0.174046|0.303614|0.500000| |4.512398|6.783321|8.819589|17.580826|8.866331|0.174519|6.848519|6.972891|12.837128|6.380485|3.840688|3.017201|0.079566|3.033296|3.764454|2.951223|2.739329|3.183749|0.061406|0.059742|2.377316|2.505167|2.537151|4.053365|3.315323|2.069214|0.053635|1.976200|2.448893|0.047741|1.630918|1.698107|1.965843|2.054472|1.903623|0.119486|0.110716|0.108018|0.204959|0.168423|0.173178|0.212154|0.500000| |4.577686|6.996832|8.886724|17.509156|8.867734|0.212151|5.461872|7.171904|11.460552|7.139798|4.424419|3.365472|0.084571|3.401532|4.055485|3.514979|3.186518|3.537963|0.067511|0.066693|2.549958|2.702385|2.862021|4.596573|3.688220|2.282232|0.058397|2.230806|2.733159|0.053618|1.780480|1.824534|2.127135|2.252065|2.123391|0.112107|0.120024|0.109861|0.175766|0.211763|0.209760|0.173702|0.304779|0.500000| |3.301060|4.026528|5.435695|6.808481|8.787907|0.173553|17.584152|6.958917|11.573895|6.807594|4.242727|3.327119|0.093627|3.137627|3.958063|2.794647|2.512213|3.059547|0.058208|0.057900|2.406581|2.643786|2.730491|4.216136|3.673656|2.258886|0.058793|2.060846|2.556038|0.048842|1.735481|1.866878|2.193817|2.252605|2.000114|0.094894|0.085648|0.079420|0.114119|0.099026|0.129712|0.169909|0.205699|0.140986|0.500000| |2.903533|3.388448|4.584325|5.418769|8.708250|0.209812|17.523207|7.074268|9.923372|8.208867|5.703084|4.228128|0.122341|3.647514|4.461687|3.105297|2.657574|3.258225|0.060711|0.062434|2.600953|3.007431|3.396638|5.020098|4.705798|2.787014|0.071548|2.454264|3.007759|0.056430|2.036706|2.239469|2.721532|2.777929|2.374846|0.082352|0.079017|0.069990|0.090899|0.086441|0.123187|0.136644|0.140471|0.122693|0.301782|0.500000| |3.791058|4.417127|6.624864|6.679805|8.760457|0.214034|17.604999|5.558936|8.284098|6.100414|4.327561|3.281200|0.090713|2.929513|3.434877|2.672154|2.339800|2.837597|0.053659|0.054759|2.190022|2.449406|2.813973|4.297565|3.955109|2.439898|0.062049|2.231085|2.809346|0.053396|1.886839|2.038735|2.431857|2.589383|2.265976|0.110998|0.102054|0.087458|0.115756|0.105681|0.172059|0.229141|0.166747|0.137417|0.301083|0.302388|0.500000| |2.635557|3.076672|3.824019|4.549194|6.091667|0.220247|4.619952|6.439897|8.358178|12.286686|17.538881|8.718464|0.174984|6.459828|6.092523|6.200452|4.261735|4.728029|0.083028|0.093005|3.485888|4.324394|6.988007|9.509861|8.491386|4.355702|0.104758|4.062236|4.465494|0.083729|2.766355|2.876217|3.672104|3.788731|3.408013|0.069215|0.075872|0.065283|0.078029|0.087818|0.116731|0.095949|0.105681|0.131729|0.106417|0.134125|0.114126|0.500000| |2.524491|2.903260|3.711809|4.362961|6.545688|0.220505|5.904198|6.696296|8.559717|12.289499|17.583885|8.707056|0.224717|5.677593|5.982745|4.571756|3.454093|4.138379|0.073761|0.080921|3.274045|4.166051|6.312212|8.134296|8.725972|4.355127|0.106587|3.660714|4.169736|0.076239|2.712740|2.987586|3.916471|3.904986|3.242947|0.068509|0.071664|0.062063|0.075124|0.079252|0.109875|0.099278|0.105261|0.114749|0.129213|0.199559|0.140347|0.302306|0.500000| |2.058237|2.411688|2.822620|3.548936|4.488009|0.115980|4.115733|6.628281|11.537524|12.324257|6.375058|6.891674|0.205839|8.739455|17.516882|5.506009|4.798316|6.130967|0.108076|0.108326|5.786992|7.128643|4.493999|6.934312|5.076367|2.950698|0.080976|2.614117|3.000188|0.057018|2.049312|2.187809|2.574963|2.413688|2.174387|0.055729|0.056150|0.052580|0.066399|0.067091|0.076526|0.075258|0.097154|0.098098|0.111385|0.126469|0.093472|0.135719|0.151880|0.500000| |2.209738|2.654336|3.038281|3.970710|4.666607|0.119523|3.843984|7.338278|14.001228|12.493118|5.835611|5.727640|0.144082|8.587399|17.660624|7.094152|6.793642|7.391705|0.131061|0.122532|6.039883|6.213033|4.062986|6.614665|4.530353|2.692877|0.072829|2.513903|2.891377|0.055962|1.936973|2.008574|2.334907|2.251966|2.094126|0.058604|0.060022|0.056858|0.073207|0.075998|0.081714|0.078008|0.108588|0.117454|0.104589|0.108668|0.088667|0.140025|0.129524|0.303960|0.500000| |2.289648|2.697660|3.063578|3.742382|4.252330|0.126344|3.310840|5.279214|8.174493|9.552764|6.784623|6.671926|0.137539|8.742076|7.104981|17.578394|9.027786|7.629139|0.127249|0.143243|4.882152|5.502050|5.505336|9.460665|5.743116|3.367078|0.087733|3.370720|3.703959|0.072610|2.352652|2.346573|2.765667|2.730986|2.641489|0.059235|0.064535|0.058839|0.070771|0.080272|0.088239|0.075841|0.093410|0.118276|0.084101|0.092475|0.081513|0.211099|0.136402|0.141362|0.192951|0.500000| |1.921633|2.184755|2.441704|2.831112|3.212359|0.095806|2.707055|3.786633|6.057303|6.723409|5.384604|6.809952|0.141767|8.777385|5.505770|17.610891|8.910325|9.345146|0.143772|0.203950|5.636999|6.743843|6.855326|14.476857|6.434081|3.907331|0.105522|3.997620|4.171285|0.081985|2.659130|2.604092|3.019400|2.853464|2.811622|0.050347|0.054538|0.049846|0.057623|0.064091|0.070789|0.062205|0.072240|0.085638|0.069320|0.077940|0.068117|0.157898|0.116648|0.122897|0.141377|0.303230|0.500000| |1.980197|2.326636|2.527065|3.096203|3.318382|0.090082|2.763770|4.296649|7.890713|6.791435|4.149988|4.405630|0.106582|6.616185|6.538422|8.705501|17.645753|12.442182|0.225261|0.181135|6.941508|5.693180|3.652883|6.578625|4.009848|2.505855|0.068543|2.466048|2.828862|0.056018|1.882704|1.888824|2.135373|2.063598|1.997690|0.051745|0.054377|0.052052|0.063704|0.068782|0.069374|0.064005|0.083605|0.096087|0.074753|0.076752|0.067663|0.112536|0.094146|0.143711|0.238062|0.214711|0.173086|0.500000| |1.868612|2.147697|2.299693|2.695304|2.846067|0.080532|2.389174|3.402549|5.932563|5.380634|3.692009|4.016763|0.094900|5.441795|4.600984|8.781643|17.629348|12.363441|0.222814|0.224300|5.578594|4.889353|3.702243|7.152316|4.046524|2.606767|0.071294|2.682980|3.050096|0.061448|2.002436|1.955574|2.182473|2.116257|2.110100|0.048510|0.052148|0.049426|0.057832|0.064257|0.064717|0.058039|0.071117|0.084125|0.063513|0.066444|0.060163|0.106322|0.084772|0.105506|0.141518|0.212604|0.217415|0.301889|0.500000| |1.695682|1.946705|2.141815|2.564212|2.871302|0.076965|2.593397|3.696812|6.883404|5.979170|3.756299|4.446284|0.120552|6.687333|6.562211|5.724947|6.961972|12.424898|0.224042|0.180999|17.624625|8.727588|3.608064|6.439345|3.966389|2.499939|0.071107|2.342899|2.694023|0.052545|1.857766|1.910877|2.139878|1.989275|1.880966|0.045381|0.046421|0.044482|0.053906|0.055657|0.058498|0.056334|0.070869|0.074603|0.071375|0.075241|0.063150|0.093784|0.089741|0.182221|0.201074|0.129045|0.131608|0.209328|0.143214|0.500000| |1.504853|1.692368|1.849932|2.142173|2.388935|0.065720|2.202414|2.901045|5.198869|4.689032|3.230612|4.031208|0.111267|5.450230|4.581691|4.870764|5.575736|12.356627|0.223079|0.223825|17.630064|8.768010|3.596291|6.810065|3.946167|2.580168|0.075811|2.425314|2.775329|0.054273|1.945322|1.987294|2.178930|1.979346|1.889878|0.040393|0.041580|0.039623|0.046509|0.048327|0.051255|0.048995|0.058535|0.061934|0.059926|0.064546|0.054871|0.082309|0.079082|0.128608|0.126768|0.107571|0.126760|0.143180|0.126455|0.301336|0.500000| |1.639735|1.838617|2.062273|2.374591|2.762626|0.079175|2.520225|3.309565|5.501876|5.834169|4.510469|6.859492|0.181419|8.819386|5.461065|6.779189|5.685129|9.437204|0.144683|0.207292|8.897354|17.560065|6.486280|13.033909|6.197830|3.865317|0.115977|3.496344|3.743068|0.071530|2.581932|2.658971|3.019193|2.643968|2.488170|0.043967|0.045972|0.042615|0.049509|0.052389|0.058523|0.054468|0.062789|0.068332|0.066027|0.075688|0.062876|0.113005|0.107030|0.144593|0.130894|0.138570|0.196774|0.131740|0.128216|0.172954|0.215449|0.500000| |1.684854|1.905365|2.160840|2.535664|3.018776|0.083581|2.834335|3.767862|6.413502|6.656543|4.719093|6.784304|0.215778|8.774641|6.919776|5.495916|4.869618|7.632880|0.127116|0.144050|8.999200|17.566184|5.231940|8.824166|5.511482|3.341993|0.098063|2.913107|3.253748|0.061694|2.276508|2.421964|2.779059|2.461236|2.247513|0.045596|0.046692|0.043613|0.051939|0.053550|0.060214|0.057809|0.068351|0.071402|0.075546|0.086939|0.069049|0.109668|0.115303|0.218771|0.156644|0.122951|0.138246|0.127661|0.107580|0.213088|0.212780|0.303395|0.500000| |2.010991|2.199909|2.627039|2.854528|3.604067|0.115538|3.466627|3.671736|5.420081|6.248029|6.822995|7.491565|0.208753|4.666733|4.044138|3.935926|3.013845|3.845199|0.068309|0.079379|3.022896|3.955150|9.390960|10.946939|26.017763|9.067517|0.196350|5.769684|6.129070|0.103821|4.005983|4.753862|7.469562|6.249131|4.612082|0.054761|0.058080|0.050559|0.057067|0.060783|0.078897|0.071102|0.071334|0.077676|0.082761|0.111197|0.090612|0.173616|0.218079|0.107505|0.092420|0.108264|0.113080|0.077927|0.076059|0.078381|0.076250|0.113545|0.109602|0.500000| |1.612158|1.721923|1.916690|2.026475|2.284255|0.070671|2.107698|2.359341|3.742959|3.778880|3.394726|3.931519|0.099023|3.355317|2.716048|3.447478|2.827414|3.737433|0.067421|0.083745|2.672323|3.183688|5.707725|12.201903|8.323460|8.675648|0.229009|17.668691|12.328513|0.229186|6.915290|5.451284|5.739648|4.921134|5.623974|0.043096|0.047044|0.041804|0.044757|0.049169|0.057494|0.050699|0.051517|0.058000|0.053144|0.062156|0.056420|0.100392|0.089779|0.070204|0.068138|0.091430|0.114543|0.069082|0.076976|0.066172|0.070373|0.101907|0.081471|0.131027|0.500000| |1.882399|2.018804|2.283458|2.399922|2.731943|0.087671|2.461959|2.750052|4.241581|4.418168|4.183725|4.481828|0.107461|3.642524|3.005772|3.814963|2.994228|3.744671|0.067290|0.081374|2.659407|3.188595|6.475565|11.855369|10.267181|8.703102|0.178374|17.653980|12.378374|0.220071|5.620215|4.906247|6.095508|6.254932|7.311800|0.049966|0.055588|0.048280|0.051644|0.057839|0.070091|0.059731|0.059622|0.068961|0.060748|0.072089|0.066297|0.132700|0.110499|0.075786|0.074861|0.107195|0.124221|0.073953|0.081430|0.067265|0.068026|0.097159|0.081174|0.158932|0.301479|0.500000| |1.417826|1.483808|1.638228|1.694289|1.890036|0.057580|1.811606|1.911747|3.079765|2.952009|2.563051|2.848263|0.076739|2.462274|2.116673|2.429547|2.097592|2.835973|0.052615|0.062285|2.086000|2.415576|3.661880|6.935174|5.747962|6.189159|0.180866|7.264652|12.391777|0.221904|17.631464|8.662952|6.014486|4.875732|5.625947|0.038397|0.041365|0.036916|0.038789|0.041811|0.048865|0.044180|0.043619|0.047604|0.046124|0.053646|0.049354|0.073376|0.071238|0.056602|0.053630|0.065150|0.075711|0.053009|0.056980|0.052830|0.056377|0.075118|0.064779|0.102870|0.215208|0.145922|0.500000| |1.436723|1.482078|1.632587|1.655054|1.830195|0.056045|1.770329|1.806521|2.905175|2.729929|2.359710|2.500294|0.067500|2.158761|1.915070|2.136271|1.857318|2.469672|0.046256|0.053346|1.814144|2.073512|3.070396|5.540760|4.944355|4.919051|0.129224|5.623208|12.352611|0.228551|17.640933|8.660166|5.744099|5.471730|6.983417|0.039048|0.042254|0.037373|0.038541|0.041567|0.049088|0.044276|0.042475|0.046202|0.044928|0.052088|0.049035|0.068260|0.066936|0.051259|0.048833|0.058660|0.065103|0.047668|0.050676|0.046769|0.048746|0.062652|0.056025|0.093051|0.144840|0.126762|0.301988|0.500000| |1.437629|1.506682|1.689103|1.751226|1.997262|0.060490|1.975427|2.014308|3.231381|3.113257|2.725014|3.040354|0.086470|2.528583|2.220175|2.357111|2.022728|2.753614|0.050967|0.059233|2.107705|2.498003|3.790710|6.585761|6.390794|6.843831|0.214009|5.453777|7.932825|0.129757|8.815476|17.601298|8.768509|5.516588|4.913188|0.039413|0.041670|0.037165|0.039586|0.041836|0.050059|0.046287|0.045316|0.048261|0.050167|0.059919|0.053836|0.074947|0.078845|0.060922|0.055246|0.063040|0.070975|0.052004|0.053607|0.053963|0.057044|0.076388|0.069617|0.123391|0.140523|0.117875|0.226338|0.185935|0.500000| |1.495009|1.545516|1.733407|1.759554|1.991135|0.060887|1.983728|1.951642|3.115718|2.951229|2.583119|2.724288|0.076397|2.268750|2.048478|2.146966|1.848216|2.464391|0.045962|0.052396|1.865620|2.175999|3.274950|5.539700|5.629354|5.547117|0.145125|4.875941|8.296641|0.134871|8.780516|17.599519|8.830251|7.081477|6.138243|0.041132|0.043725|0.038537|0.040321|0.042711|0.051922|0.047756|0.045260|0.048197|0.050034|0.059688|0.055142|0.072410|0.076244|0.055872|0.051378|0.058878|0.063815|0.048046|0.049371|0.048524|0.050021|0.064832|0.060411|0.113524|0.117732|0.112351|0.178048|0.225875|0.303954|0.500000| |1.718672|1.816087|2.101430|2.183305|2.590708|0.080289|2.606101|2.558330|3.977043|3.998528|3.707664|3.968219|0.115249|3.028633|2.718783|2.714904|2.247137|2.968743|0.054325|0.062297|2.309295|2.827830|4.846877|7.357232|9.763918|8.810508|0.208041|5.529167|7.182072|0.114583|5.525872|8.848503|17.586017|8.797522|5.518832|0.047358|0.049923|0.043701|0.047347|0.049860|0.062930|0.058022|0.055699|0.059108|0.064303|0.081453|0.071199|0.099930|0.114781|0.074653|0.065774|0.074207|0.079463|0.058508|0.058449|0.060072|0.060767|0.083341|0.079837|0.223816|0.125520|0.132148|0.130968|0.125845|0.215577|0.210486|0.500000| |2.100281|2.207400|2.595643|2.620877|3.091527|0.102101|2.972195|2.883220|4.346840|4.420925|4.280081|4.014642|0.105413|3.077760|2.813207|2.932150|2.375712|2.983885|0.054660|0.062095|2.230881|2.671468|4.802500|7.211060|9.466221|6.969603|0.140524|6.131460|8.296930|0.135102|4.860933|5.515816|8.764051|17.599524|8.799694|0.057124|0.062625|0.052664|0.055941|0.060986|0.081387|0.070354|0.064472|0.071477|0.070895|0.089425|0.083434|0.128401|0.132785|0.073740|0.069018|0.084826|0.085710|0.061999|0.062913|0.058735|0.057283|0.076821|0.072411|0.205694|0.126591|0.177577|0.111576|0.118083|0.122925|0.142281|0.207304|0.500000| 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