Version2.4 2021-06-01T23:47:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 15-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1OC)CCOC(=O)[C@H]2CCCC[NH+]2CC(=O)Nc3ccc(cc3F)Br C39302441 RHF 6-31G(d) (6D,7F) COc1ccc(cc1OC)CCOC(=O)[C@H]2CCCC[NH+]2CC(=O)Nc3ccc(cc3F)Br C01[X(C24H29Br1F1N2O5)] 180 C1 568 COc1cc(CCOC(=O)[C@H]2CCCC[NH+]2CC(=O)Nc2ccc(cc2F)Br)ccc1OC COc1cc(CCOC(=O)[C@H]2CCCC[NH+]2CC(=O)Nc2ccc(cc2F)Br)ccc1OC COc1ccc(CCOC(=O)[C@H]2CCCC[NH+]2CC(=O)Nc3ccc(Br)cc3F)cc1OC InChIKey=VTQRITSGESJJAO-HXUWFJFHSA-O InChI=1S/C24H28BrFN2O5/c1-31-21-9-6-16(13-22(21)32-2)10-12-33-24(30)20-5-3-4-11-28(20)15-23(29)27-19-8-7-17(25)14-18(19)26/h6-9,13-14,20H,3-5,10-12,15H2,1-2H3,(H,27,29)/p+1/t20-/m1/s1 InChI=1/C24H28BrFN2O5/c1-31-21-9-6-16(13-22(21)32-2)10-12-33-24(30)20-5-3-4-11-28(20)15-23(29)27-19-8-7-17(25)14-18(19)26/h6-9,13-14,20H,3-5,10-12,15H2,1-2H3,(H,27,29)/p+1/t20-/m1/s1/fC24H29BrFN2O5/h27-28H/q+1 COc1ccc(cc1OC)CCOC(=O)[C@H]2CCCC[NH+]2CC(=O)Nc3ccc(cc3F)Br C01[X(C24H29Br1F1N2O5)] 180 C01 568 COc1cc(CCOC(=O)[C@H]2CCCC[NH+]2CC(=O)Nc2ccc(cc2F)Br)ccc1OC CO[C]1[CH][C]([CH][CH][C]1OC)CCOC(=O)[C@H]1CCCC[NH]1C[C]([NH][C]1[CH][CH][C]([CH][C]1F)Br)=O CO[C]1[CH][CH][C]([CH][C]1OC)CCOC(=O)[C@H]2CCCC[NH]2CC(=O)N[C]3[CH][CH][C](Br)[CH][C]3F InChIKey=HSSDKSHSAKPAAA-HXUWFJFHSA-N InChI=1S/C24H29BrFN2O5/c1-31-21-9-6-16(13-22(21)32-2)10-12-33-24(30)20-5-3-4-11-28(20)15-23(29)27-19-8-7-17(25)14-18(19)26/h6-9,13-14,20,28H,3-5,10-12,15H2,1-2H3,(H,27,29)/t20-/m1/s1 InChI=1/C24H29BrFN2O5/c1-31-21-9-6-16(13-22(21)32-2)10-12-33-24(30)20-5-3-4-11-28(20)15-23(29)27-19-8-7-17(25)14-18(19)26/h6-9,13-14,20,28H,3-5,10-12,15H2,1-2H3,(H,27,29)/t20-/m1/s1/f/h27H 3623.6913462233 -4078.0733084 1-A 37089.9802 135 433 568 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1420.4666 1429.8990 1440.1519 1443.1658 1450.8622 1458.6801 1468.5128 1483.1277 1496.4026 1508.1926 1538.6428 1539.3850 1544.8154 1561.7248 1569.4104 1574.9056 1585.9380 1596.4927 1613.0967 1629.5596 1631.1739 1634.3043 1636.0760 1638.6123 1642.4671 1643.7512 1651.4472 1651.6804 1652.1304 1658.1441 1658.5128 1658.7888 1665.4899 1708.7726 1733.4364 1791.4002 1803.9722 1811.1496 1822.5504 1948.5758 1998.0857 3202.9503 3209.3605 3212.0501 3218.2694 3225.7748 3226.2448 3263.7833 3266.0669 3266.6930 3272.7277 3282.3753 3284.3325 3286.1242 3288.2606 3291.8005 3304.2757 3337.7435 3339.6440 3347.8201 3352.8851 3357.4068 3367.4776 3385.7336 3410.2887 3413.0374 3423.9481 3460.2027 3607.9867 3855.6459 9.1896 4.0538 7.4414 5.0315 5.3403 5.3118 6.0651 4.6466 4.1331 3.5817 5.1232 4.4262 4.6754 4.6042 3.2747 6.3072 5.1604 5.6814 3.5715 3.1482 3.6875 3.4152 4.8039 3.3868 5.1177 2.6375 1.4719 1.6439 2.6703 4.8863 5.3345 2.2507 4.6641 4.4896 3.3820 4.0186 3.7455 2.8560 4.5117 3.4216 3.1499 3.0423 5.5155 3.2161 4.4419 4.1205 5.2032 2.3877 2.9493 4.3416 2.6118 3.9205 1.8390 4.7970 5.8309 4.4218 4.4426 4.6452 4.9173 4.3176 3.1632 4.5478 1.3690 2.0774 3.9001 2.5169 1.4181 2.1005 1.6547 3.3476 1.6091 2.1303 1.4275 3.7606 1.8460 2.9627 2.1241 2.0273 4.7296 2.1984 3.0862 1.3492 1.8541 2.0307 2.3991 4.2991 2.2166 3.4334 2.2461 2.6119 4.9309 2.9658 2.1405 3.9196 2.0785 1.3901 1.8919 1.2674 1.2692 2.0751 2.1055 1.5033 1.3760 1.9470 1.3144 1.4182 1.6093 1.4601 1.4565 3.5139 1.2421 1.2217 1.3440 1.2807 1.7527 1.5458 1.6764 2.9539 1.4475 1.4867 1.4842 1.3652 1.4426 1.3816 1.5351 2.9263 2.5823 1.8018 1.3025 1.1054 1.2117 1.0948 1.0979 1.3055 1.1132 1.1249 1.0478 1.0484 1.1032 1.0533 1.0805 1.0768 2.5755 3.0700 2.9883 6.0630 4.9979 5.6434 4.6069 8.7360 11.7989 1.0357 1.0349 1.0741 1.0704 1.0653 1.0615 1.1070 1.0707 1.1061 1.1076 1.0938 1.0584 1.0993 1.0790 1.0752 1.0963 1.1006 1.1015 1.1130 1.1055 1.0916 1.1032 1.0907 1.0929 1.0934 1.0949 1.0940 1.0768 1.0785 0.0002 0.0002 0.0008 0.0012 0.0028 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10.9068 9.0160 19.5433 27.7536 6.2601 6.2802 6.5292 6.5318 6.5311 6.5096 6.9476 6.7294 6.9546 6.9898 6.9433 6.7267 6.9944 6.8738 6.8647 7.0525 7.2242 7.2382 7.3497 7.3223 7.2500 7.3705 7.3663 7.4886 7.5042 7.5629 7.7176 8.2589 9.4463 0.7212 0.0775 0.0172 0.7499 0.1870 0.3133 0.2289 0.2467 4.9374 9.4925 3.0721 0.3619 4.5974 1.3010 1.5407 2.6651 1.2141 1.7830 2.0092 3.7097 2.2397 1.4030 2.4144 0.5373 9.2575 8.7392 7.4714 1.9545 9.0440 5.9278 9.7791 4.6775 17.5258 25.1971 1.5836 4.4486 2.8656 2.1418 32.6786 5.3516 3.6708 8.1896 18.8402 1.9652 9.4215 3.9957 8.2256 61.8236 6.7646 8.1320 4.2340 6.3911 31.6753 12.3487 0.8760 7.2778 1.9914 2.6552 2.7658 6.8137 2.7155 8.6646 1.9302 4.0269 9.9319 8.8145 37.7588 6.5941 43.3141 44.7097 23.5895 35.1314 23.4971 7.3835 36.4178 10.6643 85.1677 61.7024 75.3281 51.4126 25.8218 1.3042 19.3850 14.4969 46.5465 62.6242 10.5397 34.5027 5.4737 21.0484 4.5122 11.8786 23.7310 33.6902 3.7296 10.9132 128.6683 2.3858 4.6327 51.9672 2.9247 19.2901 8.3111 101.8919 16.6489 56.5062 176.2868 11.1492 19.5401 297.1629 29.0383 7.0740 135.9667 1.6024 205.2452 8.8384 315.8193 201.9859 239.0668 159.3677 56.3335 0.9843 29.7190 4.6678 54.5969 88.9652 59.0735 53.4097 165.6882 12.2529 33.1328 21.0121 8.4088 0.0906 0.6220 34.9678 1.4030 9.7765 1.2303 24.5057 14.4901 25.5759 108.0307 274.7685 591.1690 41.8221 130.2470 30.1894 111.0286 331.1413 354.4390 54.0276 43.2445 4.0100 13.2969 18.8299 29.6786 56.8728 3.0731 11.2499 54.5810 15.5789 11.7042 15.1203 1.3540 10.2080 7.7155 28.3671 38.6674 12.5609 2.9217 18.1601 2.0820 13.7804 10.1516 0.1429 2.1402 2.0239 112.1180 76.8722 2.0657 3.2297 3.7642 0.5453 0.2381 0.2598 1.3205 0.1966 0.5005 0.8884 1.1390 0.2577 0.5363 1.2774 0.1565 1.0889 0.3592 0.9689 0.9114 1.4301 0.2357 1.2546 2.1008 1.0447 1.7406 0.4988 0.7490 0.6509 0.4514 0.2141 1.7252 0.5232 0.1159 1.7107 0.3839 2.1589 2.5364 2.1318 3.2941 1.0853 4.4547 0.2975 1.9723 1.1777 0.5268 1.5954 4.6609 3.8106 2.9621 4.4473 0.5061 0.8401 0.2345 2.2641 7.9923 3.2994 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15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 78.91834 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 15197.6527 58666.6576 69602.0165 0.99961 -0.02759 -0.00430 0.02755 0.99958 -0.00849 0.00453 0.00837 0.99995 1 0.00570 0.00148 0.00124 0.11875 0.03076 0.02593 8.93 11.65 19.14 28.43 42.82 52.20 59.17 74.00 96.62 109.50 121.55 125.73 134.38 147.85 200.50 203.76 223.44 229.78 265.57 286.34 308.55 313.91 350.56 353.38 362.58 372.55 394.89 423.47 447.16 457.40 493.90 507.96 510.46 541.16 558.75 562.39 584.99 609.31 651.40 683.11 700.95 719.83 736.22 747.73 769.81 803.48 855.61 868.28 880.18 888.95 939.76 941.33 964.04 1009.28 1019.75 1093.99 1133.58 1138.52 1141.15 1163.20 1207.88 1218.46 1235.03 1261.92 1279.35 1321.46 1336.24 1363.53 1372.10 1374.34 1400.49 1408.57 1452.74 1469.50 1472.70 1484.13 1502.02 1512.83 1515.76 1553.73 1569.43 1601.63 1635.28 1651.02 1655.07 1674.49 1681.94 1686.74 1692.71 1711.73 1717.04 1759.85 1787.17 1796.53 1811.51 1836.22 1852.02 1861.45 1862.37 1886.20 1892.17 1918.98 1920.33 1942.70 1948.89 1955.91 1973.36 1994.23 2014.01 2021.63 2043.73 2057.31 2072.06 2076.39 2087.47 2098.72 2112.86 2133.89 2152.99 2169.95 2213.76 2214.83 2222.64 2246.97 2258.03 2265.94 2281.81 2297.00 2320.89 2344.57 2346.90 2351.40 2353.95 2357.60 2363.14 2364.99 2376.06 2376.40 2377.05 2385.70 2386.23 2386.63 2396.27 2458.54 2494.03 2577.43 2595.51 2605.84 2622.24 2803.57 2874.80 4608.33 4617.55 4621.42 4630.37 4641.17 4641.85 4695.86 4699.14 4700.04 4708.73 4722.61 4725.42 4728.00 4731.07 4736.17 4754.12 4802.27 4805.00 4816.77 4824.05 4830.56 4845.05 4871.32 4906.64 4910.60 4926.30 4978.46 5191.09 5547.41 0.549828 0.580276 0.581220 0.480028 -4077.523481 -4077.493032 -4077.492088 -4077.593281 3.394030D-04 MUNgauss RevisionA2.1 retrievium 01-Jun-2021 DUDE COc1ccc(cc1OC)CCOC(=O)[C@H]2CCCC[NH+]2CC(=O)Nc3ccc(cc3F)Br C39302441 RHF 6-31G(d) (6D,10F) C1 523.124387 |X|Y|Z| 84.427496 169.192029 36.565281 80.533685 25 6 7 8 22 2 1 |36.858105| |13.601654|73.516695| |8.037005|25.274426|36.858105| |6.731378|14.045334|13.853795|36.858105| |4.507571|9.230171|7.905631|13.634107|36.858105| |3.783571|8.186095|6.803706|7.915324|13.880044|36.858105| |3.988057|9.423873|7.907675|6.903637|7.977667|13.578876|36.858105| |5.243065|14.532419|13.479982|7.924970|6.861035|7.867220|13.850573|36.858105| |4.800355|13.175352|8.175609|5.305520|4.628856|5.178054|7.905149|14.200654|73.516695| |3.554118|8.541131|5.244361|3.991017|3.799585|4.500725|6.730133|8.029521|24.225144|36.858105| |2.919261|5.993896|4.416128|5.007926|7.570565|12.581328|7.538039|5.012321|6.859911|3.673870|36.858105| |2.650521|5.355772|3.784258|4.190839|5.710628|7.635752|5.777149|4.227014|6.095836|3.328103|12.541740|36.858105| |2.217210|4.378983|2.964456|3.237406|4.153729|5.082629|4.184916|3.259807|4.947529|2.780514|7.952251|13.112815|73.516695| |2.010976|3.919637|2.583352|2.785308|3.402099|3.933353|3.417050|2.799074|4.370635|2.470345|5.267932|8.056977|26.129327|36.858105| |2.024416|3.934033|2.567478|2.746043|3.267980|3.687297|3.284676|2.760560|4.349006|2.444890|4.539181|6.987054|15.216441|16.003671|73.516695| |1.755054|3.377320|2.181614|2.338615|2.786679|3.135441|2.782556|2.340577|3.730693|2.127447|4.060806|5.142300|14.532064|12.501054|14.249311|36.858105| |1.713659|3.318287|2.140500|2.266790|2.689936|3.083325|2.785214|2.327959|3.741240|2.165167|4.026967|4.794499|13.270261|8.837152|10.795591|17.607171|0.500000| |1.722155|3.261057|2.099811|2.300734|2.751077|2.975386|2.571487|2.195802|3.472749|1.944549|3.802573|4.487539|11.469606|7.649681|10.242335|12.377436|0.243541|36.858105| |1.518599|2.851674|1.804706|1.954567|2.274010|2.425573|2.152830|1.878565|3.023333|1.703038|2.966236|3.319611|7.716507|4.926464|7.347141|7.460115|0.184876|12.481922|36.858105| |1.419095|2.660312|1.665888|1.782857|2.036064|2.165587|1.963074|1.735489|2.827754|1.600627|2.571888|2.939177|6.571186|4.441159|7.166787|6.453893|0.156131|7.625148|12.488988|36.858105| |1.435090|2.718123|1.703329|1.797695|2.047839|2.222809|2.050029|1.801934|2.957919|1.696181|2.646837|3.096315|7.017081|4.984455|8.145037|7.599160|0.189884|6.539789|7.610721|12.540338|36.858105| |1.600456|3.060091|1.940719|2.051353|2.369384|2.615275|2.395524|2.071730|3.368536|1.931075|3.179251|3.956513|9.413334|7.755416|12.646176|12.666538|0.252194|7.596859|6.465656|7.595378|12.605922|53.358707| |1.621592|3.081747|1.949554|2.073080|2.383739|2.586839|2.356259|2.057877|3.336493|1.892483|3.084362|3.905055|8.829187|7.383225|13.962656|9.250134|0.180833|6.963304|5.795869|7.037155|9.275347|25.542467|0.500000| |1.578862|3.046336|1.919930|1.986561|2.259350|2.531525|2.397882|2.082678|3.442946|2.009069|3.005150|3.731663|8.318891|6.398151|11.550851|7.563568|0.194902|4.926543|4.384283|4.989931|7.745836|17.381588|0.264803|36.858105| |1.500948|2.871405|1.785425|1.840357|2.052134|2.248234|2.150146|1.913014|3.193312|1.851100|2.565888|3.149749|6.502788|4.771445|9.639087|5.085263|0.126971|3.896966|3.604820|4.314102|6.060313|10.619796|0.226396|12.429318|36.858105| |1.478547|2.800528|1.736463|1.808694|2.013090|2.164170|2.042735|1.832449|3.041560|1.739171|2.452094|3.001336|6.132380|4.499622|9.280052|4.812295|0.114744|3.980056|3.730767|4.661743|6.097071|10.003243|0.256512|8.074314|15.863062|73.516695| |1.448601|2.779912|1.712262|1.738394|1.909678|2.096901|2.052160|1.846714|3.132402|1.836645|2.341221|2.810935|5.575672|3.843530|7.670669|3.924599|0.103550|3.112443|2.919086|3.368341|4.441629|7.090584|0.144852|7.903749|14.265833|14.916629|53.358707| |1.367622|2.606421|1.585822|1.602615|1.733385|1.875430|1.849228|1.695086|2.902357|1.694878|2.044703|2.409142|4.622761|3.079508|6.171388|3.088533|0.081424|2.590714|2.467129|2.835387|3.503007|5.278535|0.111781|5.026791|7.701856|11.544881|18.301476|36.858105| |1.333934|2.518202|1.524813|1.551241|1.669251|1.777643|1.738265|1.607891|2.743609|1.581923|1.920835|2.256175|4.283364|2.845695|5.767602|2.843737|0.073431|2.476683|2.374453|2.757063|3.265582|4.819111|0.106638|4.181837|6.249976|11.498087|10.401071|13.747451|36.858105| |1.253877|2.355126|1.411474|1.428303|1.518418|1.603865|1.580289|1.480812|2.548678|1.468111|1.706845|1.968235|3.671426|2.372591|4.733736|2.357020|0.061626|2.103059|2.033555|2.321246|2.658682|3.833017|0.083678|3.217282|4.303576|7.885387|6.940954|7.943136|13.737154|36.858105| |1.210406|2.280085|1.359282|1.362819|1.439831|1.527048|1.522536|1.433723|2.492835|1.447978|1.614587|1.839221|3.406883|2.163022|4.249799|2.144144|0.057107|1.906705|1.846993|2.074320|2.377546|3.411903|0.072601|2.904946|3.683944|6.384891|6.194148|6.867807|7.930935|13.791042|36.858105| |1.234568|2.343274|1.400777|1.395934|1.478747|1.585823|1.593760|1.493190|2.608165|1.531984|1.683748|1.916233|3.563816|2.255680|4.393853|2.238321|0.060501|1.953329|1.885827|2.102346|2.458197|3.554151|0.073959|3.138217|3.908188|6.369415|7.068421|7.865193|6.830214|7.926440|13.757905|36.858105| |1.310321|2.502508|1.510561|1.509469|1.616336|1.752061|1.754745|1.622538|2.815728|1.660766|1.886800|2.177759|4.113073|2.649882|5.184654|2.641793|0.071503|2.241949|2.148520|2.411482|2.915560|4.299336|0.088525|4.013258|5.209210|7.905469|10.905766|13.753847|8.009981|6.977344|8.070651|13.897972|36.858105| |1.325142|2.549530|1.542060|1.530143|1.641369|1.800584|1.821604|1.675616|2.925325|1.749269|1.946549|2.228178|4.222882|2.681925|5.130712|2.680555|0.074448|2.239915|2.142040|2.362797|2.886625|4.270025|0.085016|4.101589|4.829853|6.984501|9.878948|8.192820|5.314897|4.684957|5.311392|8.143210|14.257417|97.533100| |1.112856|2.081700|1.227936|1.227120|1.282116|1.346655|1.348121|1.285648|2.251060|1.302993|1.405678|1.573779|2.879599|1.791412|3.474604|1.772307|0.047458|1.611698|1.571520|1.740761|1.939019|2.742275|0.058158|2.256387|2.706202|4.780418|4.270013|4.087364|4.597582|6.704338|10.095926|6.718770|4.638836|8.286113|2539.412838| |17.658681|17.016595|5.899601|4.909736|3.614984|3.179506|3.416723|4.412245|7.791998|3.353911|2.540601|2.339703|3.542074|1.827209|3.280515|1.610574|0.043827|1.575927|1.402976|1.319776|1.337848|2.018531|0.041703|1.472141|1.407830|2.463144|1.862232|1.299977|1.268990|1.200239|1.164132|1.187214|1.253194|2.853038|36.658261|0.500000| |17.559158|16.435763|7.043194|6.725547|4.566723|3.729222|3.788531|4.739173|7.511070|3.231872|2.913023|2.715014|4.018944|2.069514|3.744926|1.794976|0.048210|1.767522|1.552827|1.456162|1.468609|2.236668|0.046622|1.614885|1.545767|2.724571|2.023648|1.407594|1.381522|1.298620|1.247544|1.265759|1.341904|3.033267|39.018933|0.299960|0.500000| |17.561448|16.438474|7.062117|6.730970|4.575522|3.739473|3.801911|4.758911|7.545057|3.253583|2.915283|2.587137|3.890507|1.970790|3.485791|1.735955|0.047211|1.722494|1.523667|1.413318|1.418974|2.140809|0.044137|1.538916|1.455159|2.553225|1.902481|1.315671|1.283603|1.204865|1.161438|1.184192|1.258261|2.865033|36.337652|0.299926|0.298695|0.500000| |7.490387|12.565904|8.951784|17.766186|8.927820|5.658266|4.971922|5.630786|7.600785|3.329614|4.097582|3.570165|5.106722|2.527202|4.457282|2.159622|0.057816|2.161035|1.856851|1.699005|1.695782|2.605194|0.054079|1.840847|1.723111|3.039252|2.213290|1.510902|1.475273|1.365697|1.300562|1.323579|1.422252|3.223779|40.112657|0.146301|0.225189|0.224633|0.500000| |3.917410|7.459230|5.649078|8.920996|17.702728|8.939511|5.647752|4.944920|6.524554|3.136573|6.980074|5.526020|7.512718|3.479363|5.884371|2.883542|0.076278|2.946188|2.418933|2.138794|2.112121|3.307280|0.068352|2.264154|2.057248|3.631510|2.573983|1.715452|1.664439|1.510852|1.422967|1.452765|1.587325|3.602974|43.115560|0.089120|0.113135|0.113342|0.217293|0.500000| |3.330373|7.607669|5.628906|4.969837|5.675840|8.897742|17.741112|8.973260|12.630349|7.528208|7.034773|5.694661|7.684296|3.530829|5.971103|2.891448|0.082042|2.600729|2.186835|2.002503|2.124702|3.391896|0.067145|2.544225|2.251957|3.743057|2.950872|1.937133|1.796436|1.627689|1.577749|1.668708|1.850000|4.377411|47.276762|0.082168|0.088000|0.088354|0.107879|0.124298|0.500000| |3.255593|7.559814|4.767461|3.811794|3.761176|4.576172|6.731124|7.065721|16.445954|17.555067|3.844762|3.347623|5.063849|2.491188|4.292812|2.171376|0.062209|1.988241|1.745918|1.626748|1.721608|2.653393|0.052556|2.019114|1.835382|3.055893|2.467930|1.660656|1.543728|1.428022|1.408203|1.494099|1.626150|3.875625|43.040149|0.084828|0.081880|0.085732|0.088504|0.087025|0.225266|0.500000| |3.227068|7.497774|4.724825|3.779391|3.733782|4.552513|6.712439|7.016497|16.441383|17.547535|3.845847|3.648135|5.373633|2.708070|4.819817|2.296835|0.064816|2.060253|1.791954|1.695273|1.817233|2.851486|0.057027|2.211529|2.036521|3.372387|2.766068|1.866914|1.729243|1.597013|1.576451|1.677351|1.830337|4.356975|47.868279|0.084158|0.084369|0.081713|0.087765|0.086412|0.226451|0.298643|0.500000| |3.354889|7.801868|4.415003|3.419515|3.191085|3.610003|4.909069|5.896062|17.028613|17.657006|3.041335|2.812700|4.288903|2.185434|3.871685|1.912501|0.054050|1.756674|1.557947|1.475543|1.562543|2.396441|0.048028|1.839209|1.714252|2.868913|2.335514|1.600741|1.497900|1.402421|1.392223|1.472767|1.582698|3.751637|43.013466|0.091234|0.084258|0.084831|0.082144|0.075154|0.146814|0.299946|0.300074|0.500000| |2.680566|5.545824|3.961904|4.213208|5.687427|8.852638|7.086754|4.715012|6.780279|3.826044|17.557418|8.921239|13.010384|4.944505|7.403329|4.018770|0.116742|3.654353|2.923126|2.533789|2.648154|4.281326|0.082600|3.035110|2.543517|4.246125|3.193125|2.035220|1.887360|1.678058|1.600753|1.685698|1.896411|4.465111|47.380369|0.065960|0.072986|0.074470|0.097298|0.143897|0.213195|0.116006|0.111282|0.087563|0.500000| |2.781258|5.514355|3.959068|4.712242|7.152498|8.873396|5.635382|4.196676|5.885824|3.117579|17.566657|8.931307|12.968143|4.972467|7.456582|4.057098|0.110800|4.073279|3.161092|2.661225|2.657893|4.252848|0.084416|2.852456|2.442517|4.215554|2.999881|1.933080|1.833830|1.632838|1.537613|1.592507|1.776280|4.095096|45.763421|0.067223|0.077440|0.078889|0.112266|0.214196|0.143565|0.090907|0.088640|0.073672|0.303166|0.500000| |2.739023|5.413026|3.800176|4.387914|5.974772|6.857987|5.090115|4.004080|5.754021|3.045083|8.783171|17.652330|16.427984|7.288216|12.666686|4.758267|0.117193|4.411212|3.259397|2.917785|3.002984|5.186308|0.109152|3.508499|3.084257|5.388687|3.713428|2.377328|2.273757|1.988994|1.839510|1.890088|2.129041|4.813062|53.775258|0.066684|0.079789|0.074049|0.106397|0.170522|0.131218|0.083304|0.091668|0.072679|0.173606|0.212623|0.500000| |2.647007|5.454730|3.812178|3.983319|5.045007|6.864377|6.109971|4.462254|6.602893|3.707044|8.771969|17.643939|16.440834|7.184782|12.418694|4.684421|0.123959|3.881155|2.993122|2.747142|2.984342|5.230596|0.105194|3.864802|3.296175|5.452855|4.103344|2.577823|2.380141|2.074162|1.952460|2.053938|2.348180|5.453629|56.504114|0.065556|0.075073|0.070439|0.093509|0.128139|0.178878|0.101593|0.118003|0.086162|0.211456|0.173574|0.301396|0.500000| |1.818391|3.450117|2.244313|2.487789|3.036876|3.296981|2.780794|2.344626|3.664105|2.041033|4.370303|4.890276|12.654319|6.994387|9.104598|8.961927|0.216858|17.608210|8.788057|5.522071|4.908992|7.588454|0.142695|4.111591|3.297269|5.872321|3.731144|2.316393|2.208086|1.905395|1.748789|1.797829|2.045094|4.643084|50.907172|0.045949|0.051583|0.050918|0.064638|0.091539|0.077645|0.058503|0.059553|0.050885|0.116532|0.136625|0.130715|0.112416|0.500000| |1.762816|3.311240|2.128452|2.357525|2.810567|2.964176|2.539246|2.192986|3.452610|1.909673|3.684138|4.459377|10.530013|7.261436|10.863097|8.863681|0.173517|17.521274|8.853323|6.845053|5.698810|9.234291|0.201622|4.543468|3.858269|7.343926|4.168350|2.597654|2.542205|2.159911|1.934183|1.954345|2.225110|4.915229|55.756730|0.044704|0.050765|0.048864|0.062086|0.084812|0.070157|0.053656|0.056200|0.048013|0.094835|0.109796|0.129943|0.106658|0.303284|0.500000| |1.479129|2.788857|1.762533|1.893297|2.196660|2.369414|2.124762|1.849495|2.993274|1.700607|2.907622|3.160786|7.339636|4.470621|6.572820|6.679558|0.193387|8.832301|17.528359|8.842233|6.845197|7.721141|0.133962|4.176534|3.352909|5.945086|3.801057|2.355472|2.231372|1.925705|1.773655|1.830546|2.086688|4.756985|51.553679|0.038056|0.041705|0.041320|0.049756|0.064289|0.060570|0.048848|0.049568|0.043256|0.081750|0.085811|0.083897|0.079894|0.214158|0.173548|0.500000| |1.490548|2.773278|1.747774|1.908113|2.209367|2.309716|2.037741|1.796316|2.886369|1.611996|2.776248|3.030386|6.729009|4.119070|6.345493|5.474183|0.137620|8.884570|17.591126|8.830055|5.526995|6.608330|0.129118|3.549118|3.067768|5.745141|3.463427|2.208150|2.160136|1.879374|1.708447|1.728717|1.940293|4.325698|50.157443|0.038247|0.042416|0.041766|0.050875|0.066121|0.056836|0.045867|0.046740|0.041094|0.075126|0.083765|0.084297|0.075334|0.210446|0.216695|0.303499|0.500000| |1.316931|2.459305|1.527961|1.626971|1.837737|1.944093|1.779634|1.588211|2.607696|1.479393|2.272944|2.534869|5.501143|3.572024|5.853057|4.842593|0.125917|5.519149|8.788805|17.577347|8.999257|7.570486|0.143945|4.166447|3.743501|7.119536|4.152672|2.631890|2.571709|2.203150|1.984325|2.007308|2.275734|5.023713|57.302895|0.034181|0.037436|0.036507|0.043267|0.053470|0.050471|0.041843|0.043317|0.038118|0.062722|0.065364|0.069696|0.066407|0.123152|0.139850|0.214042|0.209226|0.500000| |1.429462|2.664406|1.664210|1.789876|2.035359|2.135817|1.928960|1.718132|2.794093|1.569255|2.500687|2.890897|6.281533|4.298675|7.287676|5.681717|0.130817|6.833417|8.809302|17.533933|8.878172|9.290215|0.205581|4.618618|4.309828|8.879667|4.537643|2.870188|2.878147|2.420538|2.126259|2.118303|2.407867|5.200528|60.805025|0.036912|0.041014|0.039469|0.047678|0.059742|0.054139|0.043977|0.046175|0.040246|0.067215|0.071904|0.081886|0.075029|0.139510|0.200992|0.173164|0.213839|0.303678|0.500000| |1.405008|2.672049|1.673369|1.754052|1.995770|2.188050|2.036125|1.784273|2.944240|1.703774|2.616410|2.988456|6.793282|4.584421|7.243209|6.936341|0.204582|5.794023|6.888116|8.823414|17.600999|12.399754|0.181523|7.138618|5.241933|8.670258|5.657665|3.276821|2.973730|2.465735|2.258760|2.377405|2.822309|6.480788|63.170042|0.036456|0.039675|0.038668|0.045784|0.056782|0.059232|0.048426|0.050619|0.043632|0.074347|0.072772|0.078611|0.080477|0.130003|0.132925|0.203066|0.140462|0.214911|0.173475|0.500000| |1.364526|2.576738|1.601074|1.678837|1.887235|2.034044|1.898906|1.689443|2.797218|1.606037|2.366802|2.760897|5.988773|4.198279|7.307027|5.597150|0.141821|4.906207|5.515092|8.795818|17.666081|12.416425|0.226796|7.356113|6.935721|13.036589|6.817360|3.987676|3.756873|3.001903|2.643098|2.712049|3.234531|7.037393|72.237235|0.035505|0.038866|0.037344|0.044173|0.053802|0.054620|0.045009|0.047875|0.041378|0.065575|0.065456|0.075213|0.075310|0.108083|0.127930|0.139890|0.123349|0.213250|0.214659|0.300213|0.500000| |1.707078|3.331659|2.118469|2.177755|2.493314|2.855891|2.727261|2.333436|3.846246|2.260959|3.420690|4.401540|9.764430|7.581694|14.007984|7.406522|0.196098|4.683054|3.928596|4.145067|5.663823|12.254412|0.209205|17.690388|8.880673|11.196471|9.543339|4.676397|3.864972|3.045767|2.800379|3.058220|3.888537|9.187080|74.718789|0.044069|0.048426|0.045992|0.055393|0.068485|0.081484|0.062968|0.070137|0.056959|0.096502|0.087589|0.111570|0.132062|0.113808|0.120733|0.105036|0.090342|0.097290|0.108379|0.151422|0.145557|0.500000| |1.488808|2.872329|1.799931|1.849876|2.089954|2.345118|2.246142|1.959398|3.269981|1.926545|2.770500|3.294089|7.268345|5.108815|8.694085|6.336835|0.186569|4.412177|4.200795|4.774705|7.597755|12.313764|0.185479|17.624443|8.740917|10.933251|9.589455|4.672535|3.806326|3.015850|2.797439|3.082942|3.941369|9.476801|74.648251|0.038730|0.042024|0.040445|0.047672|0.057994|0.066768|0.054256|0.058586|0.049263|0.079475|0.073434|0.084812|0.094470|0.105217|0.109292|0.117187|0.094462|0.116255|0.117161|0.230776|0.202660|0.300682|0.500000| |1.458055|2.817254|1.736649|1.748597|1.920339|2.134151|2.113855|1.894270|3.234034|1.920587|2.387024|2.837942|5.625435|3.783690|7.316590|3.848057|0.105634|3.003643|2.809873|3.151675|4.150531|6.602453|0.127829|7.662759|9.493477|10.839054|26.016674|9.350764|5.729655|4.296647|4.116797|4.978257|7.754472|19.816341|100.068716|0.038303|0.041324|0.039066|0.045169|0.052397|0.062863|0.052890|0.059342|0.049844|0.067477|0.061859|0.074931|0.085695|0.074782|0.080412|0.076296|0.067860|0.079901|0.084597|0.113381|0.124785|0.205257|0.210705|0.500000| |1.363775|2.564451|1.559089|1.601432|1.733047|1.834471|1.771273|1.633081|2.761184|1.578565|1.993842|2.362864|4.520345|3.054388|6.273480|3.067385|0.077357|2.703672|2.587719|3.057834|3.581341|5.306251|0.122528|4.392476|6.762242|14.657539|9.391385|8.920176|17.819198|8.938375|5.656510|4.937663|5.678017|9.619634|130.365638|0.035897|0.039394|0.036536|0.042433|0.048392|0.050477|0.042828|0.047767|0.041332|0.053927|0.053257|0.066985|0.068375|0.066039|0.078451|0.066351|0.065480|0.078338|0.090991|0.087686|0.115818|0.110421|0.107441|0.142035|0.500000| |1.223187|2.282494|1.363070|1.384604|1.466417|1.534347|1.505128|1.418157|2.436627|1.393425|1.624267|1.863403|3.456814|2.220674|4.423140|2.204693|0.057299|2.007684|1.949745|2.223428|2.483374|3.543271|0.078221|2.869381|3.726684|7.127485|5.617774|5.657035|8.941208|17.765173|8.938667|5.647225|5.009748|8.341416|219.930948|0.032557|0.035306|0.032678|0.036992|0.040711|0.042750|0.037603|0.041872|0.037034|0.044103|0.043423|0.052807|0.054085|0.050626|0.057853|0.050994|0.050601|0.058896|0.065237|0.063544|0.077542|0.075478|0.074469|0.098105|0.216183|0.500000| |1.193300|2.266545|1.348169|1.335441|1.406943|1.509536|1.528984|1.440134|2.535308|1.497218|1.592819|1.790976|3.309594|2.062547|3.967900|2.044593|0.055880|1.794408|1.736822|1.912927|2.215691|3.181719|0.065477|2.781476|3.301953|5.367308|5.765768|5.630634|4.934249|5.625454|8.835820|17.770362|8.986499|16.641639|217.986474|0.032001|0.033864|0.031784|0.035174|0.038254|0.044596|0.040581|0.045453|0.040231|0.044527|0.041803|0.048835|0.053398|0.046314|0.049610|0.047210|0.044408|0.051049|0.053175|0.060334|0.067021|0.076202|0.077128|0.118441|0.107340|0.123782|0.500000| 4075.747073 -16903.590416 5413.111692 -289.247876 -7703.979528 3623.691607 -4080.287921 2.001114 3D59500000000062 44F93D1E5CC6817E 4477D77DFB108970 4251588FE03FFFFE B7CE7D42A4998DFA 43F51AD1E339D7FB