Version2.1 2021-01-14T23:57:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)CC[C@@H]2NC(=O)N3CC[NH+](CC3)CC(=O)Nc4ccccc4C(F)(F)F C32802506 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)CC[C@@H]2NC(=O)N3CC[NH+](CC3)CC(=O)Nc4ccccc4C(F)(F)F C01[X(C23H26F3N4O2)] 168 C1 532 O=C(Nc1ccccc1C(F)(F)F)C[NH+]1CCN(CC1)C(=O)N[C@H]1CCc2c1cccc2 O=C(Nc1ccccc1C(F)(F)F)C[NH+]1CCN(CC1)C(=O)N[C@H]1CCc2c1cccc2 FC(F)(F)c1ccccc1NC(=O)C[NH+]2CCN(CC2)C(=O)N[C@H]3CCc4ccccc34 InChIKey=WXONJLOLQQWLTF-IBGZPJMESA-O InChI=1S/C23H25F3N4O2/c24-23(25,26)18-7-3-4-8-20(18)27-21(31)15-29-11-13-30(14-12-29)22(32)28-19-10-9-16-5-1-2-6-17(16)19/h1-8,19H,9-15H2,(H,27,31)(H,28,32)/p+1/t19-/m0/s1 InChI=1/C23H25F3N4O2/c24-23(25,26)18-7-3-4-8-20(18)27-21(31)15-29-11-13-30(14-12-29)22(32)28-19-10-9-16-5-1-2-6-17(16)19/h1-8,19H,9-15H2,(H,27,31)(H,28,32)/p+1/t19-/m0/s1/fC23H26F3N4O2/h27-29H/q+1 c1ccc2c(c1)CC[C@@H]2NC(=O)N3CC[NH+](CC3)CC(=O)Nc4ccccc4C(F)(F)F C01[X(C23H26F3N4O2)] 168 C01 532 O=C(Nc1ccccc1C(F)(F)F)C[NH+]1CCN(CC1)C(=O)N[C@H]1CCc2c1cccc2 O=C(N[C]1[CH][CH][CH][CH][C]1C(F)(F)F)C[NH]1CCN(CC1)C(=O)N[C@H]1CC[C]2[C]1[CH][CH][CH][CH]2 FC(F)(F)[C]1[CH][CH][CH][CH][C]1NC(=O)C[NH]2CCN(CC2)C(=O)N[C@H]3CC[C]4[CH][CH][CH][CH][C]34 InChIKey=VFJQEJVIKFSTDB-IBGZPJMESA-N InChI=1S/C23H26F3N4O2/c24-23(25,26)18-7-3-4-8-20(18)27-21(31)15-29-11-13-30(14-12-29)22(32)28-19-10-9-16-5-1-2-6-17(16)19/h1-8,19,29H,9-15H2,(H,27,31)(H,28,32)/t19-/m0/s1 InChI=1/C23H26F3N4O2/c24-23(25,26)18-7-3-4-8-20(18)27-21(31)15-29-11-13-30(14-12-29)22(32)28-19-10-9-16-5-1-2-6-17(16)19/h1-8,19,29H,9-15H2,(H,27,31)(H,28,32)/t19-/m0/s1/f/h27-28H 3135.4679333528 -1551.8212752 1-A 26393.3417 117 415 532 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1511.6027 1538.0419 1550.6065 1558.0588 1569.2982 1587.4887 1618.8100 1626.7169 1627.2751 1629.4909 1631.1533 1632.0039 1636.6622 1644.6899 1649.9925 1652.6099 1655.0869 1666.4266 1697.1552 1725.0252 1786.3158 1791.0309 1812.5674 1817.5521 1938.2384 1960.1639 3210.1137 3214.2375 3233.9306 3242.8009 3263.9048 3264.0517 3268.3085 3270.9280 3289.9066 3294.7037 3327.7868 3333.3436 3346.1546 3351.3706 3357.6291 3360.4698 3363.8474 3375.3284 3385.0782 3390.1863 3397.9276 3407.7618 3421.0414 3603.5749 3839.3645 3842.7743 6.5036 6.1909 5.3278 5.2934 5.8203 5.9937 5.4281 4.8844 8.4328 6.8177 6.0149 5.0013 5.7159 3.2266 3.0004 2.9463 5.8654 5.5654 5.1301 4.5427 3.4252 4.2295 2.9876 6.0683 2.9896 7.1033 4.8202 2.9793 2.5280 3.6277 3.3991 3.0404 3.5458 3.3845 4.7697 2.7967 3.5545 2.4019 3.7424 2.8578 2.2689 3.1570 3.8468 3.9135 2.2000 4.9882 3.1773 3.3156 3.5213 3.0033 6.5785 4.2306 3.0863 3.2522 4.6044 5.4625 1.3550 1.6692 2.1283 6.0002 3.0584 2.1064 4.4525 2.1421 1.9667 2.1062 1.5521 1.5662 2.4318 2.3547 2.8896 1.7180 2.3159 2.4439 2.5045 1.4918 1.8734 1.5054 3.3667 1.5824 1.3594 2.7617 2.3729 3.1800 2.8171 2.6007 3.1550 2.4517 2.6533 2.5358 1.9293 1.9829 1.3924 1.7435 1.3702 9.4141 2.4041 1.4892 1.6698 1.7652 1.8430 1.5726 1.9044 1.5855 2.0889 2.1364 1.3248 1.3959 1.9341 1.3377 1.5943 1.2538 1.5954 3.9928 1.3615 1.3556 1.2864 1.3661 1.6303 1.3917 1.4858 1.3278 1.1953 1.3408 1.8628 1.5329 1.1860 1.2691 1.0836 1.1293 1.2144 1.0955 2.0102 2.5813 1.8642 2.3034 6.2226 5.8293 6.0164 5.6422 10.3619 9.4349 1.0709 1.0694 1.0741 1.0744 1.0606 1.0963 1.0865 1.0617 1.0598 1.0983 1.1113 1.1080 1.0964 1.0883 1.1006 1.1082 1.0899 1.0944 1.0894 1.0981 1.0934 1.0973 1.0956 1.0774 1.0778 1.0785 0.0005 0.0006 0.0007 0.0017 0.0065 0.0100 0.0106 0.0120 0.0262 0.0262 0.0286 0.0377 0.0685 0.0426 0.0476 0.0671 0.1577 0.1557 0.1647 0.1706 0.1429 0.2180 0.1629 0.4220 0.2318 0.5960 0.4436 0.3152 0.2923 0.4397 0.4523 0.4274 0.5243 0.5013 0.7480 0.4453 0.5991 0.4308 0.6950 0.5557 0.4623 0.7414 0.9370 0.9596 0.5501 1.2589 0.8164 0.8993 1.0225 0.8762 1.9755 1.5015 1.1685 1.2915 1.8425 2.3079 0.5850 0.7416 0.9611 2.7151 1.4338 1.0302 2.2631 1.1147 1.1007 1.2265 0.9117 0.9327 1.5142 1.5307 1.9343 1.1566 1.5868 1.6836 1.7434 1.0681 1.3963 1.1237 2.5457 1.2087 1.0482 2.1519 1.8979 2.5458 2.2842 2.1790 2.6978 2.1130 2.3393 2.2422 1.7150 1.9150 1.3556 1.7126 1.3726 9.5916 2.4678 1.5375 1.7352 1.8456 1.9368 1.7051 2.0948 1.7790 2.3610 2.4615 1.5488 1.6897 2.3754 1.6622 1.9929 1.5806 2.0523 5.1486 1.7677 1.8129 1.7318 1.9041 2.3095 1.9905 2.1559 1.9716 1.8455 2.0904 2.9063 2.3981 1.8591 1.9915 1.7102 1.7999 1.9479 1.7628 3.2444 4.2233 3.1636 4.0385 11.6987 11.0173 11.6459 10.9818 22.9354 21.3585 6.5021 6.5098 6.6185 6.6567 6.6572 6.8818 6.8380 6.6926 6.7582 7.0241 7.2511 7.2535 7.2332 7.2021 7.3107 7.3736 7.2662 7.3464 7.3547 7.4361 7.4378 7.5081 7.5549 8.2428 9.3604 9.3833 0.3954 1.4134 2.7047 0.2948 1.9485 0.6739 3.2472 1.1548 0.2213 10.1944 19.1665 2.3794 1.6925 0.8760 0.4819 0.1830 3.7352 2.2744 1.7930 14.1665 0.6338 24.7282 5.1328 1.6511 10.7203 6.7712 14.5934 9.4196 8.3979 9.9734 17.6967 2.6831 8.7970 11.5433 2.7395 0.5039 3.1461 64.1427 2.4926 37.6787 43.8413 37.7161 2.9893 13.7877 38.4123 10.7458 2.3971 4.3664 5.2899 4.2446 17.8026 16.8981 3.0918 7.4595 2.9725 1.3311 44.5315 58.1789 17.2902 32.9432 3.6292 3.1740 4.4300 0.8471 8.0304 4.4843 3.1242 4.2199 26.6035 16.3012 85.2630 9.6477 14.2949 9.8217 45.2122 1.5195 1.0907 0.2998 13.8433 23.7599 0.3736 17.5522 8.8986 51.8685 2.5640 4.5567 33.8630 4.3075 31.8673 1.5072 14.1102 0.5558 0.5317 6.4803 7.6850 253.1940 78.8049 1.9640 6.1141 9.9904 79.2344 2.6912 193.9790 228.8558 51.2832 4.9898 3.1880 41.9138 182.2049 22.4693 1.5826 51.3517 5.0243 310.7097 183.2510 6.7000 6.2790 11.7290 52.8061 81.3577 26.7101 98.6364 103.6201 86.8339 4.2160 11.6581 7.7628 4.4811 11.7496 32.8937 1.4783 24.1257 25.1904 18.2530 731.1074 320.3516 0.4354 45.0283 1.2090 22.2098 338.4890 292.8616 26.9562 32.1978 7.3136 36.3403 3.8801 32.7470 4.8739 4.0153 2.4682 31.1003 6.5975 0.9885 5.2213 18.6533 1.9237 1.4122 1.0444 33.1599 0.7582 24.6477 7.7265 5.2436 1.4729 132.9889 36.2833 75.4942 0.2537 0.1750 0.0583 2.2623 2.5085 1.7684 1.8559 1.4726 1.2751 0.3378 0.6387 5.8701 2.8359 1.2908 3.3457 1.9451 0.8400 2.2635 1.1409 0.6469 2.2248 0.4160 1.4837 1.2734 0.4604 2.0982 1.3994 0.3401 0.2445 1.2300 2.2083 0.8781 0.6030 1.7629 0.6458 1.3763 1.9922 1.2905 6.7954 0.6079 1.6854 1.4314 0.5840 5.2499 1.2857 0.4900 1.3045 2.4462 1.9470 2.8419 2.1335 1.8109 0.2787 13.8376 0.5987 11.2341 1.4942 1.9756 7.6110 0.3720 4.4246 4.4493 3.6244 1.9331 9.4921 0.8415 5.9449 1.1088 2.8523 4.9056 8.2016 5.8502 7.9037 1.1542 3.9839 1.7063 15.1420 7.1014 18.2602 0.8951 0.2311 5.6159 8.9090 0.7031 1.6312 2.3870 7.7008 2.6717 9.3448 2.5845 1.4120 1.4594 2.1803 2.4555 6.1524 1.0237 7.6622 9.2069 4.3376 1.3662 7.4155 3.8542 2.5742 4.6371 4.6375 5.6122 2.6661 2.8826 1.8567 1.7682 5.7790 12.3903 8.4701 5.0454 11.5498 2.8963 2.7549 0.4537 14.2001 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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 12.00000 12.00000 12.00000 12.00000 1.00783 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 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 4844.6302 45297.0683 48670.6132 0.99997 0.00785 0.00024 -0.00785 0.99995 -0.00633 -0.00029 0.00632 0.99998 1 0.01788 0.00191 0.00178 0.37252 0.03984 0.03708 16.09 18.63 22.04 33.67 62.49 76.69 82.75 93.00 104.49 116.24 129.22 162.67 205.24 215.47 236.06 282.93 307.37 313.51 335.81 363.22 382.80 425.58 437.71 494.32 521.97 542.97 568.61 609.68 637.42 652.55 683.73 702.78 720.80 721.39 742.30 747.99 769.52 793.88 807.78 826.56 846.10 908.36 925.12 928.18 937.32 941.65 950.14 976.21 1010.04 1012.46 1027.16 1116.69 1153.35 1181.20 1185.73 1218.37 1231.56 1249.38 1259.61 1260.88 1283.41 1310.88 1336.33 1352.13 1402.31 1430.34 1436.58 1446.51 1479.12 1511.27 1533.59 1537.98 1551.59 1555.78 1563.90 1586.04 1618.24 1619.46 1629.93 1638.24 1645.95 1654.59 1676.37 1677.14 1687.84 1715.76 1733.30 1740.13 1760.03 1762.59 1767.25 1842.04 1849.48 1857.72 1876.12 1892.02 1899.09 1904.58 1910.79 1916.62 1921.55 1951.79 1965.86 1985.50 1992.74 2012.00 2026.72 2062.24 2077.28 2089.47 2095.74 2104.55 2125.92 2128.50 2135.83 2167.63 2174.86 2212.90 2230.98 2241.70 2257.87 2284.04 2329.11 2340.48 2341.29 2344.47 2346.87 2348.09 2354.79 2366.34 2373.97 2377.74 2381.30 2397.62 2441.83 2481.93 2570.11 2576.89 2607.88 2615.05 2788.69 2820.24 4618.64 4624.57 4652.90 4665.67 4696.03 4696.24 4702.37 4706.14 4733.44 4740.34 4787.94 4795.94 4814.37 4821.87 4830.88 4834.97 4839.83 4856.34 4870.37 4877.72 4888.86 4903.01 4922.12 5184.74 5523.99 5528.90 0.513734 0.539837 0.540781 0.451715 -1551.307541 -1551.281439 -1551.280494 -1551.369560 2.987288D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE c1ccc2c(c1)CC[C@@H]2NC(=O)N3CC[NH+](CC3)CC(=O)Nc4ccccc4C(F)(F)F C32802506 RHF 6-31G(d) (6D,10F) C1 447.200786 |X|Y|Z| 48.223407 23.577770 153.335996 55.864371 26 6 7 22 4 |36.858105| |13.716056|36.858105| |7.917023|13.742923|36.858105| |6.912241|7.981732|13.759683|36.858105| |7.973572|6.883540|7.904097|13.744486|36.858105| |13.739173|7.901456|6.820411|7.932141|13.757609|36.858105| |4.957538|4.465178|5.145044|7.980203|12.592946|7.282284|36.858105| |4.047186|4.043061|5.090582|7.958164|7.976778|5.097657|12.361677|36.858105| |4.475474|4.959720|7.285545|12.579358|8.000020|5.156521|7.780512|12.340132|36.858105| |4.007403|4.445290|6.229398|8.869194|6.405126|4.501846|6.465209|8.775582|17.603709|0.500000| |3.742056|4.336941|6.226494|7.722425|5.341517|3.996098|5.112788|7.529516|13.040797|0.258324|53.358707| |2.972936|3.355807|4.419670|5.118446|3.999449|3.157417|4.096571|5.882625|7.794819|0.204396|19.178758|36.858105| |2.726794|3.000730|3.824264|4.497548|3.705153|2.940277|3.986357|5.660309|6.831421|0.208898|11.478780|15.863105|73.516695| |2.610530|2.954851|3.716203|3.990852|3.244415|2.698331|3.252386|4.292840|5.163241|0.134153|11.160596|13.565115|14.939187|53.358707| |2.193826|2.428543|2.931304|3.133303|2.672056|2.273665|2.748059|3.505681|3.929089|0.107564|7.153161|7.903779|12.757798|17.895086|36.858105| |2.057896|2.297006|2.745415|2.851194|2.428575|2.100849|2.457038|3.013488|3.465395|0.099706|5.930255|6.033451|10.815192|10.552667|12.512020|36.858105| |2.067897|2.352981|2.790650|2.773087|2.336235|2.060131|2.286227|2.722594|3.206530|0.090899|5.515637|5.045059|8.269676|9.023532|7.688081|12.617036|53.358707| |1.942454|2.191208|2.555246|2.536600|2.171182|1.933579|2.130294|2.516311|2.886257|0.080188|4.925581|4.373535|7.089609|8.078341|7.137809|9.345562|25.552466|0.500000| |2.416800|2.837611|3.462602|3.331534|2.700843|2.369688|2.559774|3.054214|3.792480|0.105331|6.890709|5.916130|8.750936|10.541150|6.620588|7.638869|17.276197|0.255937|36.858105| |2.630185|3.070144|3.821548|3.789888|3.041469|2.617448|2.897453|3.581289|4.425357|0.114928|9.022807|7.701789|9.805649|17.896332|7.937640|6.593122|10.417223|0.195077|12.453003|36.858105| |1.891311|2.142904|2.484841|2.434631|2.083318|1.868693|2.030600|2.347916|2.737791|0.079388|4.427452|3.834805|6.644291|6.069012|4.994057|7.666517|17.457005|0.265635|7.642547|4.969520|36.858105| |1.655515|1.843536|2.092784|2.067525|1.812338|1.642808|1.786438|2.044383|2.302490|0.065984|3.650143|3.120797|5.473129|4.960509|4.284923|5.994370|10.646043|0.227511|5.116597|3.925164|12.450740|36.858105| |1.619171|1.792610|2.029394|2.018175|1.779861|1.613215|1.763956|2.028213|2.251268|0.063462|3.607185|3.092738|5.341485|5.096381|4.550332|5.901888|9.996152|0.260964|4.861891|4.019072|8.100056|15.883582|73.516695| |1.527004|1.688859|1.891418|1.864139|1.653222|1.512578|1.630716|1.836767|2.050212|0.059264|3.157604|2.641698|4.721465|4.018229|3.370291|4.453477|7.099358|0.144702|3.923186|3.122424|7.861893|14.236929|14.951918|53.358707| |1.376777|1.508386|1.666410|1.644139|1.477945|1.364174|1.462154|1.630374|1.789308|0.051293|2.723829|2.243177|4.000505|3.395771|2.827886|3.487768|5.325117|0.113598|3.121507|2.622488|5.046736|7.827068|11.899009|18.102537|36.858105| |1.300225|1.410986|1.555300|1.552339|1.408569|1.298547|1.408690|1.572171|1.699007|0.048623|2.570057|2.127533|3.836940|3.207453|2.723386|3.278100|4.693985|0.100960|2.760114|2.408819|4.111784|5.958086|10.313052|10.654088|13.830209|36.858105| |1.192395|1.286085|1.403529|1.399167|1.281051|1.189765|1.281311|1.416730|1.516550|0.043178|2.272791|1.854065|3.330667|2.773420|2.312599|2.672036|3.805588|0.082228|2.331921|2.084778|3.201243|4.252867|7.664550|6.999506|7.965269|13.721091|36.858105| |1.154234|1.246510|1.350734|1.335030|1.223628|1.144425|1.214934|1.332765|1.430641|0.040618|2.137010|1.719164|3.060102|2.563111|2.088866|2.383665|3.481291|0.075163|2.194145|1.958387|2.936719|3.766594|6.694933|6.178098|6.890512|7.936838|13.795359|36.858105| |1.207140|1.312588|1.422079|1.392444|1.268571|1.188881|1.248938|1.367850|1.483625|0.042146|2.223415|1.778713|3.141514|2.656389|2.134770|2.460761|3.717393|0.079966|2.363854|2.068503|3.227782|4.129984|7.073384|6.996621|7.940560|6.866494|7.940631|13.724210|36.858105| |1.319219|1.446017|1.580371|1.542799|1.391701|1.297149|1.365613|1.505703|1.652558|0.047141|2.498720|2.015153|3.553602|3.029742|2.444465|2.907831|4.530395|0.096880|2.813344|2.384014|4.165508|5.630490|8.997261|10.617482|13.663769|7.918706|6.872730|7.940150|13.784673|36.858105| |1.384978|1.531423|1.669089|1.606167|1.439760|1.348390|1.395864|1.530837|1.700790|0.048510|2.572536|2.045838|3.566827|3.062119|2.399322|2.844444|4.613560|0.096946|2.984832|2.472692|4.331107|5.264128|8.080769|9.095924|7.589897|5.039538|4.454225|5.035238|7.596078|12.657100|36.858105| |1.301318|1.432877|1.543349|1.478765|1.335594|1.261889|1.290981|1.401917|1.547713|0.043946|2.319150|1.817552|3.158863|2.697204|2.082609|2.395675|3.809808|0.080242|2.556270|2.176743|3.382630|3.895283|6.317728|6.244475|5.249924|4.008956|3.857654|4.645974|7.023605|8.119467|14.524663|97.533100| |1.428949|1.584555|1.730111|1.660838|1.484426|1.389253|1.436025|1.570471|1.757987|0.050706|2.635314|2.092929|3.684893|3.073609|2.387628|2.877471|4.623994|0.093058|3.029378|2.464106|4.518503|5.046946|7.281377|9.093128|6.474925|4.491508|3.868517|4.143276|5.557260|8.118240|14.293915|20.113414|97.533100| |1.494136|1.666941|1.827463|1.745910|1.550422|1.448445|1.493300|1.647390|1.847382|0.052300|2.840303|2.256974|3.865138|3.446295|2.674535|3.167737|5.438152|0.116896|3.543619|2.871919|5.093411|6.062473|9.456159|8.977466|6.448030|4.485153|3.872040|4.149283|5.562062|8.106409|14.313678|20.125146|20.168371|97.533100| |17.720087|8.919692|5.641533|4.972587|5.661956|8.923112|4.020181|3.331341|3.573854|0.091094|4.220138|2.550873|4.201830|3.116741|1.959952|1.852229|2.547304|0.049188|2.161643|2.325247|1.730431|1.530230|2.663394|1.934561|1.290864|1.220368|1.125466|1.094007|1.144271|1.244303|1.308013|2.783445|3.032751|3.164005|0.500000| |8.914267|17.718255|8.913009|5.662135|4.957586|5.634289|3.567114|3.327445|4.019431|0.103273|5.080121|3.006071|4.792922|3.720711|2.277482|2.186724|3.110726|0.059406|2.763444|2.923265|2.109303|1.818933|3.135647|2.278961|1.499853|1.395110|1.275172|1.243776|1.316786|1.450018|1.549081|3.279782|3.608559|3.802590|0.215639|0.500000| |5.632331|8.900101|17.698018|8.878875|5.622684|4.923179|4.204179|4.464510|6.577183|0.165560|8.945006|4.776653|7.158184|5.603834|3.189429|3.042107|4.333390|0.079950|4.135323|4.462381|2.822415|2.324478|3.976050|2.836104|1.815640|1.676610|1.503083|1.448410|1.535818|1.722119|1.835451|3.797184|4.293727|4.567353|0.124055|0.214634|0.500000| |8.902448|5.628052|4.924064|5.635210|8.886083|17.709674|6.574981|4.470661|4.210827|0.104997|4.578600|2.764690|4.660304|3.263369|2.063842|1.909052|2.534013|0.048868|2.103030|2.310167|1.700340|1.512838|2.649059|1.907057|1.272804|1.218125|1.121734|1.079464|1.117213|1.212114|1.254753|2.652172|2.903351|3.016268|0.215039|0.124009|0.107008|0.500000| |4.498930|3.910341|4.250169|5.873600|8.739617|6.547438|17.576345|8.671689|5.658508|0.133205|5.789982|3.537522|6.094071|3.993322|2.524111|2.240593|2.844613|0.054814|2.312279|2.631259|1.860191|1.660484|2.938174|2.068355|1.374970|1.331650|1.218761|1.157053|1.185283|1.288020|1.311939|2.742604|3.019721|3.152372|0.105886|0.089154|0.098676|0.184946|0.500000| |4.445444|3.999694|4.490709|6.380470|8.872143|6.230829|17.525728|8.734554|6.440027|0.171837|5.945325|3.703990|6.715987|4.017327|2.564859|2.347647|2.957079|0.055964|2.396107|2.633739|1.961877|1.729591|3.014152|2.169450|1.430091|1.380460|1.256489|1.190520|1.222127|1.334789|1.362446|2.836476|3.172065|3.255434|0.103345|0.090963|0.104815|0.165559|0.303014|0.500000| |3.800745|3.798313|4.658135|6.647311|6.649108|4.659244|8.822538|17.532231|8.851360|0.175724|9.977045|5.774632|9.248574|6.112037|3.619961|2.996519|3.701609|0.071053|3.049297|3.724034|2.309239|2.033620|3.638785|2.468615|1.619693|1.566687|1.416221|1.332629|1.364918|1.497755|1.518451|3.134400|3.472141|3.694697|0.088387|0.088313|0.115651|0.115688|0.222059|0.174743|0.500000| |3.354513|3.354231|4.094185|5.735475|5.734347|4.089648|8.620768|17.603821|8.673947|0.220578|8.544117|5.741893|11.008916|5.683625|3.589733|3.096850|3.687620|0.069372|2.939243|3.370081|2.350635|2.061772|3.632917|2.531013|1.650812|1.604460|1.443181|1.348724|1.376041|1.513102|1.525113|3.132289|3.526431|3.666431|0.079169|0.079168|0.104146|0.103906|0.191659|0.217908|0.301935|0.500000| |3.826599|4.442078|6.171278|7.165812|5.188225|4.022231|4.804315|6.604272|9.114932|0.181283|25.996455|9.483195|10.982310|10.492866|4.913713|3.968196|5.213690|0.098362|4.844416|6.893290|3.058213|2.571265|4.593430|3.018929|1.935498|1.827148|1.627528|1.538255|1.601519|1.790419|1.846995|3.771194|4.211415|4.620530|0.088464|0.106920|0.178755|0.094144|0.116373|0.110701|0.203251|0.148543|0.500000| |2.044360|2.248909|2.655682|2.796889|2.429834|2.105620|2.485751|3.089483|3.365296|0.090307|5.960503|5.803350|9.213637|12.543234|17.548218|8.841184|9.406243|0.209446|5.837198|7.188681|4.622836|4.271804|8.645206|4.524377|2.864302|2.786649|2.386923|2.155122|2.190036|2.486499|2.416416|4.740112|5.289767|6.111559|0.051237|0.059150|0.079795|0.053511|0.064625|0.064170|0.090716|0.086835|0.120667|0.500000| |2.140300|2.325271|2.787552|3.068554|2.677183|2.258940|2.846194|3.691926|3.940769|0.109064|6.781590|7.513610|14.161404|12.477110|17.685668|8.955764|7.614663|0.145192|4.942402|5.718301|4.140956|3.690216|6.886568|4.132493|2.598705|2.560950|2.197065|1.971690|1.988522|2.245384|2.179438|4.293702|4.908338|5.348459|0.053135|0.059995|0.082131|0.057477|0.072908|0.074395|0.105553|0.109363|0.126533|0.302287|0.500000| |1.845835|2.033045|2.377638|2.468529|2.153726|1.887149|2.198667|2.644976|2.939525|0.084608|4.810143|4.619259|8.575912|7.630652|8.777425|17.640800|12.367576|0.229181|5.604402|4.954669|7.162083|6.737318|12.264931|6.786306|3.924446|3.812775|3.029818|2.625727|2.660919|3.143176|2.958558|5.553852|6.655165|7.263907|0.046608|0.054055|0.072099|0.048173|0.056387|0.058867|0.073310|0.076353|0.091107|0.213613|0.210703|0.500000| |2.151307|2.405867|2.907034|3.045769|2.573239|2.205463|2.611405|3.212593|3.776457|0.113431|6.274774|6.483378|12.904408|9.479182|8.849771|17.645017|12.327650|0.181700|6.919224|5.793191|7.028695|5.186626|8.446369|5.673849|3.247821|3.040325|2.496550|2.241666|2.321359|2.736628|2.710709|5.165996|6.354522|6.660013|0.053501|0.063225|0.089547|0.055463|0.065148|0.070237|0.086102|0.092881|0.111234|0.173521|0.215384|0.298568|0.500000| |2.327954|2.748758|3.257427|3.031845|2.492639|2.240118|2.326718|2.694020|3.287361|0.090533|5.698294|4.535513|6.880890|7.631050|4.971487|5.591852|12.368172|0.224084|17.612270|8.771943|7.089921|5.021559|8.475017|5.341057|3.169620|2.740345|2.338921|2.243477|2.462527|2.946004|3.232203|6.260400|7.299076|8.976127|0.058537|0.076163|0.108681|0.055416|0.058965|0.060589|0.075084|0.071409|0.115537|0.131529|0.108962|0.126744|0.141883|0.500000| |2.583659|3.073092|3.835102|3.664319|2.906735|2.528406|2.730229|3.248936|4.204658|0.121606|7.438187|6.276524|9.621509|9.384058|5.769482|6.900396|12.389431|0.180559|17.609764|8.785635|7.054887|4.587226|7.377043|5.071369|2.946042|2.608212|2.208940|2.081422|2.242387|2.662838|2.845617|5.509782|6.714815|7.388246|0.063660|0.082711|0.130345|0.061799|0.067297|0.071755|0.087379|0.086909|0.136551|0.133891|0.128900|0.142034|0.205129|0.300058|0.500000| |3.021877|3.638319|4.654921|4.431260|3.431355|2.954282|3.142496|3.828931|4.929847|0.123087|10.321034|7.163517|8.964685|12.360781|5.696350|4.930271|7.611247|0.143458|8.959476|17.671667|4.133445|3.316211|5.934740|3.734207|2.341518|2.149022|1.887296|1.794142|1.902128|2.171215|2.283276|4.597370|5.156281|5.931459|0.073320|0.096100|0.156815|0.071140|0.078723|0.078052|0.110858|0.096232|0.240076|0.145430|0.127249|0.108730|0.129513|0.211826|0.215009|0.500000| |2.393242|2.743347|3.281801|3.247061|2.705666|2.377559|2.598748|3.144110|3.670245|0.094647|6.946271|5.718863|7.873673|12.516407|7.155055|5.781866|9.326157|0.204428|8.834629|17.556038|4.589468|3.898984|7.480451|4.186065|2.643435|2.443342|2.131987|2.007777|2.114629|2.418149|2.489159|4.957827|5.449338|6.576706|0.059654|0.073416|0.103440|0.059108|0.067031|0.065622|0.092949|0.082687|0.154895|0.216068|0.145497|0.130329|0.133706|0.214499|0.173048|0.303747|0.500000| |1.907045|2.152583|2.505035|2.478028|2.122941|1.895059|2.082688|2.406310|2.815801|0.083796|4.443926|3.881059|7.039570|5.770007|4.730342|7.426865|12.302566|0.185269|6.404419|4.432107|17.632056|8.682799|10.743923|9.656849|4.631369|3.896133|3.045207|2.770705|3.002834|3.803572|3.907534|6.991565|9.680453|9.651859|0.048362|0.058515|0.078587|0.047926|0.052619|0.056541|0.064665|0.067690|0.083137|0.116106|0.114276|0.193723|0.223667|0.157126|0.188954|0.105474|0.109923|0.500000| |1.921956|2.201201|2.531083|2.419046|2.062273|1.871256|1.975465|2.248822|2.647413|0.076328|4.246366|3.515586|5.950196|5.464105|4.177478|5.633852|12.326275|0.210592|7.535274|4.753859|17.598805|8.921954|11.472125|9.305829|4.705023|3.714387|2.994176|2.849783|3.232741|4.200771|4.752691|8.356269|11.366436|13.371101|0.049045|0.061038|0.080968|0.047154|0.050278|0.052932|0.061402|0.061675|0.082537|0.109476|0.097368|0.143053|0.149283|0.229195|0.196730|0.115109|0.122572|0.300705|0.500000| |1.550371|1.719696|1.923659|1.885456|1.668929|1.530279|1.638514|1.833819|2.062738|0.060231|3.140593|2.602406|4.684402|3.861334|3.153280|4.156447|6.585769|0.127185|3.832124|3.003317|7.578441|9.464808|10.843676|25.997218|9.158251|6.067034|4.384387|4.034020|4.656183|6.834120|6.681411|10.400497|17.956710|14.104461|0.040105|0.047495|0.059051|0.039322|0.042223|0.044726|0.049851|0.051530|0.060800|0.084383|0.079587|0.124051|0.113593|0.106823|0.105186|0.074564|0.080431|0.213283|0.196753|0.500000| |1.329650|1.439092|1.595376|1.607724|1.459494|1.336841|1.471610|1.654531|1.779926|0.051099|2.695195|2.263373|4.134232|3.409828|2.970567|3.618570|4.939417|0.105328|2.840538|2.501946|4.223383|6.015043|10.606547|9.813336|8.969860|17.747028|8.880930|5.642390|4.950994|5.643778|4.111918|7.512524|8.667843|8.649124|0.034548|0.039275|0.047622|0.034846|0.038609|0.040111|0.045765|0.047264|0.052908|0.084050|0.078613|0.121799|0.092913|0.076453|0.074778|0.061429|0.070103|0.113802|0.101677|0.157728|0.500000| |1.143799|1.226534|1.335841|1.339750|1.234142|1.146303|1.241799|1.371635|1.454679|0.041368|2.168867|1.769377|3.195411|2.633122|2.204189|2.501812|3.470771|0.074839|2.144409|1.952550|2.835659|3.631913|6.679740|5.679179|5.665393|8.925531|17.736339|8.927510|5.646178|4.953344|3.560161|7.159623|7.179564|7.186945|0.030019|0.033681|0.039494|0.030128|0.032928|0.033873|0.038149|0.038970|0.043165|0.063377|0.058980|0.079140|0.065089|0.059187|0.056587|0.049214|0.055530|0.075844|0.073171|0.101276|0.214481|0.500000| 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