Version2.1 2021-01-08T10:05:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(c(cc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCCCC(=O)[O-])C(F)(F)F)F C39682717 RHF 6-31G(d) (6D,7F) c1cc(c(cc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCCCC(=O)[O-])C(F)(F)F)F C01[X(C22H27F4N3O4)] 174 C1 549 [O-]C(=O)CCCCNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)C(F)(F)F)F [O-]C(=O)CCCCNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)C(F)(F)F)F [O-]C(=O)CCCCNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(F)c(c3)C(F)(F)F InChIKey=ORLWGMYOBYLBKJ-MRXNPFEDSA-N InChI=1S/C22H27F4N3O4/c23-17-5-4-14(11-15(17)22(24,25)26)20(33)29-12-16(21(13-29)6-9-27-10-7-21)19(32)28-8-2-1-3-18(30)31/h4-5,11,16,27H,1-3,6-10,12-13H2,(H,28,32)(H,30,31)/t16-/m1/s1 InChI=1/C22H27F4N3O4/c23-17-5-4-14(11-15(17)22(24,25)26)20(33)29-12-16(21(13-29)6-9-27-10-7-21)19(32)28-8-2-1-3-18(30)31/h4-5,11,16,27H,1-3,6-10,12-13H2,(H,28,32)(H,30,31)/t16-/m1/s1/f/h27-28H c1cc(c(cc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCCCC(=O)[O-])C(F)(F)F)F C01[X(C22H27F4N3O4)] 174 C01 549 [O-]C(=O)CCCCNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)C(F)(F)F)F OC(=O)CCCCNC(=O)[C@H]1CN(CC21CCNCC2)C(=O)[C]1[CH][CH][C]([C]([CH]1)C(F)(F)F)F OC(=O)CCCCNC(=O)[C@H]1CN(CC12CCNCC2)C(=O)[C]3[CH][CH][C](F)[C]([CH]3)C(F)(F)F InChIKey=ORLWGMYOBYLBKJ-MRXNPFEDSA-N InChI=1S/C22H27F4N3O4/c23-17-5-4-14(11-15(17)22(24,25)26)20(33)29-12-16(21(13-29)6-9-27-10-7-21)19(32)28-8-2-1-3-18(30)31/h4-5,11,16,27H,1-3,6-10,12-13H2,(H,28,32)(H,30,31)/t16-/m1/s1 InChI=1/C22H27F4N3O4/c23-17-5-4-14(11-15(17)22(24,25)26)20(33)29-12-16(21(13-29)6-9-27-10-7-21)19(32)28-8-2-1-3-18(30)31/h4-5,11,16,27H,1-3,6-10,12-13H2,(H,28,32)(H,30,31)/t16-/m1/s1/f/h28,30H 3613.5307315861 -1709.4551547 1-A 20938.8066 124 425 549 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7.0730 7.1110 7.1994 7.4060 7.5190 7.5872 8.5726 8.9294 9.5937 0.1846 0.1428 0.2681 2.1314 0.0318 0.3870 4.5398 3.3087 0.2996 4.4049 1.1904 1.7916 0.5433 0.6939 1.4487 8.5878 8.4834 0.6822 3.9441 2.4243 3.2048 2.6492 2.6963 5.3228 1.5231 1.1392 2.0695 5.2527 1.9965 3.5821 28.3356 4.3454 7.4463 3.1964 3.7828 0.4755 29.6262 10.3098 13.2677 4.1004 0.9041 7.5277 57.8106 19.3539 11.2567 1.5186 2.3938 21.0962 30.0118 7.6512 10.8871 23.7239 47.8014 10.4761 7.4580 4.3716 1.6731 0.6541 22.8107 7.6421 21.0866 44.6660 1.5609 2.5168 19.0505 9.2558 11.5223 34.3039 24.3231 12.0299 11.5248 1.7227 199.1790 22.6675 40.4953 16.9286 15.1572 6.5592 8.3047 1.9811 10.2195 1.1247 0.5835 16.8635 1.3613 29.8060 41.7829 11.0801 12.1096 39.7519 2.2430 7.8998 13.5523 30.9456 13.6104 5.4265 85.7602 5.7860 25.4393 5.5148 56.9336 115.8697 162.9004 3.0645 284.4082 51.0474 37.5953 78.9004 154.3430 100.4569 10.0482 4.3615 2.1360 553.9384 2.2136 29.7029 3.5839 110.4471 31.1763 64.9945 137.9668 6.1484 57.4928 403.6489 7.1785 2.1831 20.8337 5.2996 82.6649 12.1608 2.1490 24.6114 21.8919 2.7045 8.1756 2.2791 1.8448 6.9582 1.8958 26.4859 79.2912 322.9897 25.2627 153.2558 344.3148 273.8826 327.5908 62.3707 106.3742 14.7737 9.5807 21.6361 83.7636 16.8855 84.2676 12.8828 24.0625 19.9112 42.4757 28.5502 27.8669 47.0654 17.4589 24.8021 21.4037 23.4853 7.9493 12.6066 7.2739 3.2506 1.7216 925.5098 2.1999 27.4407 0.5545 0.4072 0.4824 0.2777 0.6610 0.5536 0.4215 0.6281 0.6302 0.3900 0.5164 0.2912 1.0135 3.4277 1.1116 0.3829 0.3110 0.8299 0.5979 0.8646 0.7790 1.2749 0.4187 0.6970 0.6643 0.4833 1.5427 0.4676 0.7552 0.7894 1.5254 0.5399 0.6629 1.3989 1.0162 0.6600 0.8321 0.3078 2.1052 0.9807 0.4595 1.4473 1.3022 1.0362 2.1959 3.7079 1.4474 0.5016 2.6953 0.6801 3.1354 2.4222 2.4065 1.5591 1.8894 13.8408 4.4257 5.5753 1.0102 4.5495 5.2242 2.4187 2.6276 2.7787 5.0329 11.1791 1.9807 3.6172 2.0865 4.1788 1.6569 2.2598 2.6981 1.2811 8.2218 1.5175 0.8627 3.3924 3.1741 0.8306 2.0058 4.8511 3.5612 9.6916 4.4687 3.6667 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0.7923 0.4630 0.8567 0.5999 0.5365 0.7376 0.8134 0.8570 0.2576 0.3989 0.4818 0.5226 0.2988 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 6 6 6 6 6 6 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 6 6 6 6 8 8 6 9 9 9 9 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 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 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 18.99840 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 6263.1591 35325.0274 37371.4148 0.99999 -0.00063 0.00540 0.00065 0.99999 -0.00516 -0.00540 0.00516 0.99997 1 0.01383 0.00245 0.00232 0.28815 0.05109 0.04829 21.05 29.98 45.98 65.35 69.03 91.02 93.22 99.14 116.71 134.61 152.94 172.01 185.15 202.50 205.40 229.01 247.67 251.88 288.00 307.30 331.89 341.49 367.89 379.53 402.52 435.39 445.63 466.19 492.96 508.77 539.45 552.71 565.53 574.25 599.15 634.11 657.11 694.15 706.21 736.69 746.13 758.32 780.19 793.07 828.59 870.46 887.64 914.84 935.94 957.43 979.71 1014.94 1052.13 1091.70 1158.63 1182.74 1190.02 1200.51 1206.16 1227.41 1238.29 1246.07 1284.57 1292.68 1312.08 1347.36 1353.14 1359.45 1373.14 1391.64 1429.85 1456.11 1491.31 1504.59 1521.36 1532.62 1549.50 1558.94 1569.05 1592.46 1600.37 1614.55 1646.95 1657.75 1665.39 1682.83 1686.57 1731.77 1739.33 1751.34 1779.14 1810.28 1814.16 1848.80 1855.85 1866.12 1874.49 1896.67 1905.21 1916.19 1925.65 1954.01 1957.73 1963.73 1967.46 2004.75 2007.80 2024.50 2046.48 2050.28 2057.81 2082.18 2087.72 2107.22 2121.21 2131.70 2147.85 2152.08 2161.43 2168.48 2203.32 2211.50 2222.75 2233.01 2243.33 2258.55 2272.74 2279.24 2304.40 2341.64 2347.05 2354.46 2358.30 2365.31 2371.51 2383.97 2389.30 2400.72 2414.47 2423.20 2433.26 2481.28 2582.08 2635.47 2756.25 2788.73 2864.50 4515.32 4540.28 4594.22 4598.53 4607.57 4620.71 4639.39 4649.79 4667.78 4672.79 4678.48 4693.23 4698.95 4708.93 4715.61 4726.89 4746.14 4750.94 4768.69 4773.24 4787.98 4885.46 4908.43 4939.16 5308.43 5401.28 5590.33 0.525996 0.554473 0.555417 0.464307 -1708.929158 -1708.900682 -1708.899738 -1708.990848 3.055844D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE c1cc(c(cc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCCCC(=O)[O-])C(F)(F)F)F C39682717 RHF 6-31G(d) (6D,10F) C1 473.193770 |X|Y|Z| 36.003040 48.882925 131.350816 61.372863 17 6 7 15 2 |36.858105| |13.747002|36.858105| |8.023569|13.863666|36.858105| |6.865468|7.890130|13.742470|36.858105| |7.955855|6.868907|8.010752|13.788993|36.858105| |13.741520|7.902491|6.912086|7.899188|13.693454|36.858105| |7.482204|4.997659|4.474233|5.065340|7.701889|12.663235|36.858105| |5.407041|4.072229|3.874500|4.557295|6.723101|8.131759|15.834614|73.516695| |6.268984|4.332630|3.733959|3.955229|5.258382|7.730254|14.065595|15.163320|53.358707| |4.271898|3.266053|2.923448|3.111913|3.940122|5.006451|7.882384|12.603553|17.730347|36.858105| |3.690592|2.935732|2.603364|2.685437|3.224239|3.979821|5.252240|8.171563|11.068384|12.471071|36.858105| |3.660172|2.925366|2.541090|2.557845|3.006799|3.749003|4.720011|7.313560|9.460182|8.912858|17.514115|0.500000| |4.081689|3.256706|2.871886|2.936237|3.492424|4.323095|5.259232|7.631760|10.916584|7.840588|12.230278|0.247431|36.858105| |6.090312|4.401599|3.685126|3.710983|4.560533|6.329896|7.546517|9.437421|17.768035|7.876622|8.054895|0.200139|12.343989|36.858105| |3.564740|2.963329|2.744268|2.903068|3.450641|3.972576|4.717300|7.242107|8.336884|6.152981|7.377359|0.152107|12.336441|7.495209|36.858105| |3.403278|2.962966|2.783865|2.903641|3.302688|3.655641|3.916591|6.000770|6.310999|4.264961|4.829679|0.113127|7.456515|5.976801|12.459742|36.858105| |3.014705|2.684989|2.481860|2.504167|2.758730|3.073324|3.229657|4.994698|5.236896|3.631559|4.383962|0.109230|6.506238|5.061914|7.766195|13.048833|53.358707| |2.818043|2.583463|2.419103|2.424541|2.609029|2.840355|2.893067|4.516804|4.515749|3.091936|3.578084|0.091291|4.929991|4.224126|5.726579|9.386041|25.870241|0.500000| |2.398689|2.151887|2.017820|2.059244|2.267875|2.481549|2.690415|4.353237|4.307669|3.254552|4.027033|0.100162|5.058910|3.765076|6.116534|6.949998|13.426953|0.221474|0.500000| |3.319225|2.917477|2.596906|2.544953|2.794530|3.234760|3.374950|5.091836|5.670976|3.835594|4.837117|0.128354|7.454467|5.949073|6.551757|7.862928|17.778931|0.261022|0.185941|36.858105| |3.464183|2.915403|2.558172|2.533385|2.866203|3.432083|3.824120|5.747929|6.969526|5.009025|7.417209|0.199667|12.395461|7.445645|7.587083|6.580431|10.617170|0.159517|0.165337|12.477370|36.858105| |2.868484|2.389592|2.181833|2.270101|2.665829|3.102979|3.916748|6.595555|7.000290|7.511373|12.482094|0.247683|7.254667|5.016221|6.229156|4.249463|5.412800|0.091415|0.116423|4.095691|5.766674|36.858105| |2.671154|2.252126|2.102061|2.229390|2.629793|2.969379|3.762181|6.624703|6.302979|6.659251|7.966792|0.164940|5.759976|4.306387|5.925094|4.081153|4.981419|0.085820|0.110325|3.548779|4.542872|15.836106|73.516695| |2.526791|2.152993|1.958895|2.003021|2.292156|2.641153|3.173822|5.338985|5.447846|5.186481|7.848291|0.211905|5.603238|4.102360|4.742667|3.621755|4.974416|0.085547|0.112839|3.887974|5.431181|14.112154|15.081254|53.358707| |2.123257|1.851659|1.710906|1.754014|1.978474|2.219239|2.603629|4.492499|4.231522|3.858665|4.980536|0.134695|4.012530|3.142388|3.727065|3.027565|4.201936|0.074580|0.101181|3.165572|4.009357|7.656514|11.895453|17.819522|36.858105| |1.951815|1.730314|1.608503|1.641711|1.825860|2.021618|2.305322|3.939283|3.690032|3.177798|4.036071|0.108483|3.638781|2.844226|3.534232|3.030788|4.391740|0.078809|0.115323|3.232538|3.885479|5.484559|8.986918|10.418981|12.440170|36.858105| |1.933388|1.721816|1.620591|1.671381|1.860576|2.030629|2.307478|3.957607|3.648757|3.101326|3.822826|0.097362|3.645921|2.820320|3.862888|3.355926|4.800689|0.086272|0.138335|3.301897|3.783532|5.122353|9.284809|8.011274|7.419640|12.390615|36.858105| |1.846136|1.667378|1.573711|1.611270|1.768569|1.915474|2.120231|3.592380|3.317492|2.693482|3.275541|0.084786|3.357919|2.643084|3.616484|3.397735|5.150435|0.095017|0.165533|3.446629|3.683415|3.964342|6.973663|5.985333|4.902345|7.406478|12.350606|36.858105| |2.058494|1.853344|1.734439|1.762898|1.933958|2.116101|2.322323|3.846517|3.697210|2.924904|3.670366|0.094836|4.040274|3.077496|4.352800|4.258887|7.061603|0.126844|0.279195|4.623143|4.771301|4.194003|7.020341|6.180096|4.482416|5.996385|7.665126|12.635224|36.858105| |2.195158|1.973807|1.863146|1.912852|2.108282|2.288353|2.506618|4.134375|3.971546|3.090576|3.790205|0.094224|4.420275|3.334443|5.301951|5.484246|9.025614|0.159282|0.545875|5.093548|4.946591|4.197361|7.292077|5.656965|3.918380|4.696380|6.183339|8.124435|14.448636|73.516695| |2.095225|1.890612|1.748861|1.753366|1.910793|2.112640|2.294488|3.756815|3.680296|2.864816|3.653624|0.098264|4.059817|3.132487|4.053570|4.022741|7.050217|0.127559|0.227568|5.105979|5.243376|3.991817|6.367716|6.118632|4.294999|5.585485|5.881218|7.939681|15.937169|15.312116|73.516695| |4.452164|5.038535|7.616295|12.663197|7.553821|5.011109|3.816001|6.528708|4.239769|2.598636|2.278914|0.060096|2.464532|2.942796|2.509716|2.545320|3.010533|0.060316|0.051771|2.198589|2.165370|1.991470|3.532511|2.412717|1.581072|1.492557|1.531949|1.484322|1.607627|3.106115|2.822941|36.858105| |3.861074|4.009966|5.268202|8.153921|7.019741|4.640980|3.829482|6.891752|4.211602|2.648636|2.290163|0.059528|2.445187|2.848328|2.551695|2.551324|2.969794|0.059175|0.051993|2.129132|2.117380|2.031351|3.666808|2.438300|1.607141|1.513152|1.565673|1.507652|1.618693|3.144199|2.812375|14.415160|97.533100| |3.878294|4.490099|6.468328|8.140363|5.561228|4.147331|3.265792|5.484423|3.810535|2.361352|2.131399|0.056227|2.350412|2.754394|2.427161|2.546002|3.036918|0.061917|0.051843|2.195098|2.108144|1.879677|3.330209|2.297134|1.513499|1.446918|1.494209|1.465681|1.595548|3.098162|2.803487|14.402919|20.130807|97.533100| |3.874067|4.494081|6.471783|8.134002|5.562570|4.136101|3.273385|5.722424|3.697048|2.317129|2.043370|0.054634|2.165835|2.553930|2.170995|2.181616|2.638371|0.052912|0.046178|1.947371|1.932327|1.802593|3.189852|2.209978|1.459544|1.376179|1.402008|1.357065|1.459116|2.787940|2.572803|14.421625|20.127092|20.150667|97.533100| |5.322993|8.201534|14.409398|8.161774|5.317574|4.671321|3.414260|5.454896|4.050474|2.433814|2.220545|0.060644|2.436461|2.991457|2.352032|2.427784|3.013432|0.060917|0.050710|2.305252|2.235817|1.904290|3.271930|2.363772|1.537904|1.459937|1.471741|1.441479|1.582574|3.008478|2.843648|6.855369|10.499455|15.067442|15.096699|97.533100| |17.747135|8.970146|5.698254|4.950712|5.649776|8.907534|6.863166|8.855045|9.134427|4.575694|4.081484|0.117220|4.458332|6.892666|3.643415|3.409018|4.237451|0.079800|0.068954|3.574399|3.854416|3.079046|4.957372|3.734476|2.270029|2.072188|2.020098|1.922456|2.154747|4.029573|3.949877|3.559505|7.163367|7.193246|7.196552|9.649542|0.500000| |8.840808|17.750569|8.991538|5.641699|4.953043|5.615396|4.056611|6.035742|5.075584|2.919742|2.709753|0.076520|2.994760|3.917727|2.692735|2.721908|3.465852|0.068666|0.057022|2.816533|2.786964|2.229629|3.705413|2.787060|1.770956|1.665302|1.645243|1.603983|1.785505|3.347160|3.270887|4.123600|7.525850|8.676147|8.700302|16.801400|0.214109|0.500000| |5.667661|4.955093|5.677966|8.938739|17.777354|8.949837|7.238000|13.094871|6.738239|3.945639|3.165150|0.080397|3.355970|4.146146|3.446446|3.242523|3.628795|0.069865|0.062380|2.634490|2.721862|2.684902|4.827410|3.107921|1.989035|1.830811|1.883404|1.778101|1.923535|3.748666|3.337922|6.968191|18.004994|11.630856|11.690477|9.613178|0.124428|0.107617|0.500000| |3.788803|2.997193|2.781833|3.049835|3.889629|4.621510|7.106911|12.960062|12.305309|17.650746|8.782929|0.174932|6.555917|6.174348|6.298543|4.289510|4.792629|0.083921|0.090303|3.517092|4.359126|7.164319|13.546210|6.543976|3.777419|3.140842|3.178588|2.730584|2.909555|5.578046|4.927576|2.610551|6.149339|5.337721|5.201943|5.251451|0.107466|0.073972|0.113561|0.500000| |4.004523|3.104361|2.773012|2.925489|3.642091|4.565838|6.878239|12.154004|12.324346|17.606552|8.717507|0.222201|5.667423|5.933054|4.577299|3.441178|4.147937|0.073735|0.077786|3.257287|4.156494|6.364139|10.138231|6.576535|3.716749|2.992806|2.842941|2.456444|2.611367|4.791350|4.590124|2.462031|5.634164|4.985850|5.044836|5.241217|0.120802|0.077976|0.101185|0.302913|0.500000| |6.263487|4.569188|3.638183|3.485489|4.086858|5.657773|6.140255|8.050433|12.300889|6.312936|6.842436|0.202055|8.795231|17.524428|5.522641|4.807054|6.140675|0.107640|0.095251|5.773502|7.253453|4.463331|6.653595|5.322325|3.013414|2.735282|2.638524|2.495326|2.904465|5.420297|5.414095|2.762075|5.889529|5.839107|5.513845|6.736079|0.225511|0.117970|0.100840|0.136125|0.148852|0.500000| |6.714036|4.975789|4.216046|4.250362|5.173594|6.989354|7.051865|8.864184|12.325991|5.839020|5.725933|0.142920|8.646715|17.650956|7.141619|6.742668|7.318516|0.128843|0.103480|6.000761|6.255113|4.093845|6.583396|4.676672|2.751522|2.563960|2.602549|2.500123|2.927730|5.781210|5.260314|3.308895|7.105601|7.081744|6.287147|7.577681|0.191085|0.119944|0.127054|0.142473|0.128822|0.302631|0.500000| |3.752606|3.084549|2.915884|3.193441|3.937555|4.454043|5.543982|8.689788|9.275005|6.786536|6.677249|0.137358|8.749992|7.066453|17.565996|8.878456|7.663490|0.127626|0.130321|4.912083|5.507606|5.671343|10.455461|5.714768|3.397834|3.143987|3.432436|3.154862|3.594713|7.613435|5.919347|2.760358|6.454351|5.915481|5.302775|5.546373|0.103103|0.076134|0.112941|0.215834|0.136705|0.141101|0.193810|0.500000| |2.990775|2.543263|2.379028|2.512439|2.933416|3.294433|3.903487|6.307955|6.643015|5.426947|6.864819|0.142892|8.809408|5.501606|17.610056|8.939854|9.519622|0.146392|0.201047|5.702392|6.740635|7.138427|12.786272|7.374549|4.343272|4.203546|4.860815|4.420785|5.291259|11.895139|8.222248|2.223237|5.130218|4.852349|4.392069|4.672284|0.085330|0.065092|0.082575|0.160431|0.117528|0.123419|0.142103|0.304768|0.500000| |3.949733|3.453020|3.251331|3.385319|3.832982|4.229867|4.284284|6.364204|6.646887|4.140788|4.399883|0.106117|6.618903|6.468269|8.776196|17.457102|12.258507|0.220598|0.141290|7.013718|5.720081|3.701574|6.299516|4.322604|2.666064|2.627221|2.832594|2.851317|3.461498|7.469963|5.986209|2.912364|6.466215|6.616210|5.506016|6.293673|0.107129|0.086866|0.102134|0.113860|0.093781|0.143384|0.235785|0.215133|0.174043|0.500000| |2.974840|2.652910|2.563282|2.718254|3.056139|3.243171|3.455351|5.505140|5.297942|3.703784|4.039876|0.095306|5.473783|4.585242|8.885413|17.579501|12.495771|0.225862|0.188207|5.692770|4.928864|3.795389|6.813383|4.446884|2.843220|2.894418|3.322051|3.416206|4.163638|10.019711|6.695410|2.455794|5.637391|5.584562|4.736931|5.105744|0.081324|0.067743|0.085442|0.107762|0.085017|0.105801|0.141360|0.213358|0.220263|0.302779|0.500000| |3.822083|3.383489|2.954262|2.832582|3.071010|3.594480|3.582435|5.275921|5.895924|3.735648|4.417551|0.119472|6.643441|6.460985|5.716630|7.022212|12.248928|0.220117|0.138183|17.434383|8.802460|3.599645|5.628844|4.580922|2.766658|2.764223|2.799136|2.881291|3.658321|7.124159|7.050832|2.404951|5.144808|5.432878|4.764150|5.867660|0.114621|0.091285|0.078511|0.094140|0.088899|0.181882|0.197494|0.128438|0.131589|0.207584|0.143442|0.500000| |2.880482|2.597870|2.324681|2.256306|2.431486|2.768727|2.859425|4.410005|4.671421|3.243877|4.049039|0.111639|5.475127|4.565514|4.913254|5.693254|12.505609|0.226088|0.177324|17.594949|8.883800|3.613185|5.591355|4.924022|3.046446|3.213552|3.234607|3.502849|4.798963|8.831634|10.185233|1.978414|4.301305|4.470761|3.995628|4.734981|0.086408|0.071042|0.063848|0.083140|0.079068|0.129200|0.126195|0.108098|0.128092|0.143396|0.127900|0.301558|0.500000| |2.924564|2.509647|2.245384|2.244237|2.523805|2.942858|3.314029|5.179909|5.831154|4.536165|6.883391|0.183799|8.832212|5.476884|6.760676|5.745618|9.606651|0.147341|0.194181|8.974700|17.588931|6.408829|8.786536|9.018967|4.847547|4.897938|4.698724|4.564168|6.206448|10.661956|12.522706|1.956944|4.352070|4.294183|3.961829|4.475544|0.088975|0.066914|0.067768|0.113715|0.107284|0.146666|0.131509|0.138356|0.195624|0.132035|0.128953|0.174469|0.220657|0.500000| |3.559456|2.993340|2.565435|2.487040|2.783631|3.386461|3.713056|5.559584|6.715515|4.738427|6.748957|0.214345|8.797211|7.000365|5.507298|4.921469|7.675839|0.127731|0.126646|8.875796|17.516458|5.111655|7.089092|6.939206|3.789053|3.595329|3.340129|3.231692|4.006681|7.045505|8.083478|2.110165|4.588805|4.598692|4.288249|5.060532|0.114531|0.081036|0.072365|0.110408|0.114924|0.225686|0.158385|0.123195|0.138144|0.128289|0.108256|0.215324|0.213154|0.303039|0.500000| |2.601273|2.216925|1.989722|2.004821|2.275141|2.653047|3.131069|5.161013|5.425979|4.903088|7.577898|0.241918|5.667874|4.242456|4.447345|3.527305|5.010895|0.086429|0.109438|4.143966|6.028859|9.438895|10.887398|26.084817|9.065134|6.571788|4.954632|4.040953|4.360990|6.961441|8.195266|1.761751|3.961205|3.781287|3.643323|3.975441|0.079958|0.059170|0.062039|0.120087|0.129011|0.117591|0.097488|0.107649|0.133799|0.087342|0.086661|0.099721|0.109059|0.205028|0.169115|0.500000| |2.072446|1.808253|1.687975|1.750205|1.984952|2.202375|2.610737|4.603440|4.165669|3.875717|4.687013|0.121255|3.748946|2.995602|3.640922|2.928733|3.933800|0.070336|0.094121|2.882726|3.553620|7.400045|13.734496|12.605320|17.636806|8.772986|7.046301|4.527578|4.009375|6.541930|6.567852|1.588254|3.668462|3.408239|3.298019|3.410829|0.060791|0.047702|0.056126|0.110020|0.104316|0.078316|0.073577|0.095418|0.118993|0.071876|0.077882|0.071009|0.076012|0.114706|0.092130|0.180948|0.500000| |2.019421|1.770972|1.631450|1.661312|1.860727|2.087377|2.426096|4.204652|3.890412|3.490497|4.335161|0.124235|3.493740|2.864416|3.167851|2.641579|3.686904|0.066495|0.085849|2.836903|3.540588|5.916077|9.176166|12.585308|17.558807|8.837533|5.487530|4.047368|3.739376|5.810140|6.625374|1.499283|3.414809|3.222768|3.140118|3.315380|0.060328|0.047381|0.051730|0.093168|0.096979|0.078141|0.069766|0.081403|0.098481|0.066038|0.068795|0.070199|0.076917|0.115064|0.096914|0.224482|0.302886|0.500000| |1.765428|1.580936|1.476506|1.504377|1.659647|1.821354|2.055206|3.544218|3.224614|2.739677|3.331744|0.091146|3.020468|2.457602|2.944675|2.592281|3.744601|0.068748|0.096009|2.758794|3.209549|4.299581|7.278136|7.676525|8.882404|17.521911|8.843047|6.298121|4.866637|6.908780|8.231482|1.377996|3.144223|3.009333|2.877929|3.037331|0.051898|0.042457|0.046282|0.075481|0.073124|0.066313|0.062219|0.074373|0.094676|0.063553|0.069571|0.066871|0.077157|0.107791|0.084495|0.141912|0.201336|0.225397|0.500000| |2.005841|1.781664|1.642892|1.660033|1.835638|2.047151|2.306378|3.877398|3.725936|3.127887|4.077494|0.113074|3.811397|2.960182|3.579577|3.140748|4.742373|0.084850|0.124629|3.604797|4.361871|5.150467|7.945242|9.943409|8.905071|17.555417|8.786023|7.245875|6.787612|8.775566|12.673326|1.501282|3.395225|3.287610|3.113838|3.360194|0.059676|0.047956|0.050604|0.083769|0.081403|0.080494|0.074028|0.086303|0.115536|0.075666|0.081775|0.084154|0.102361|0.159582|0.113516|0.199591|0.174372|0.205206|0.304501|0.500000| |2.118650|1.866667|1.758456|1.829150|2.061270|2.257199|2.606935|4.466656|4.171739|3.613491|4.508008|0.109277|4.301499|3.209985|4.778310|3.941656|5.424720|0.094998|0.155955|3.632041|4.245506|6.354259|12.211447|8.938724|7.241670|8.780106|17.577589|8.846559|7.318007|12.300484|9.834095|1.668571|3.856411|3.649227|3.408785|3.562004|0.061234|0.049094|0.058284|0.105095|0.089571|0.081291|0.081879|0.117027|0.179677|0.090221|0.108629|0.085027|0.095339|0.145565|0.100607|0.145744|0.204209|0.143543|0.175626|0.194172|0.500000| 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