Version2.0 2020-07-19T19:55:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(c(c1)OCCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(c(c4)F)C(F)(F)F)F C39685071 RHF 6-31G(d) (6D,7F) c1ccc(c(c1)OCCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(c(c4)F)C(F)(F)F)F C01[X(C25H27F5N3O3)] 183 C1 594 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)F)C(F)(F)F)NCCOc1ccccc1F O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)F)C(F)(F)F)NCCOc1ccccc1F Fc1ccccc1OCCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(c(F)c4)C(F)(F)F InChIKey=SYPQRAGIYLZUCQ-SFHVURJKSA-O InChI=1S/C25H26F5N3O3/c26-19-3-1-2-4-21(19)36-12-11-32-22(34)18-14-33(15-24(18)7-9-31-10-8-24)23(35)16-5-6-17(20(27)13-16)25(28,29)30/h1-6,13,18,31H,7-12,14-15H2,(H,32,34)/p+1/t18-/m0/s1 InChI=1/C25H26F5N3O3/c26-19-3-1-2-4-21(19)36-12-11-32-22(34)18-14-33(15-24(18)7-9-31-10-8-24)23(35)16-5-6-17(20(27)13-16)25(28,29)30/h1-6,13,18,31H,7-12,14-15H2,(H,32,34)/p+1/t18-/m0/s1/fC25H27F5N3O3/h31-32H/q+1 c1ccc(c(c1)OCCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(c(c4)F)C(F)(F)F)F C01[X(C25H27F5N3O3)] 183 C01 594 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)F)C(F)(F)F)NCCOc1ccccc1F O=[C]([NH]CCO[C]1[CH][CH][CH][CH][C]1F)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][C]([C]([CH]1)F)C(F)(F)F F[C]1[CH][CH][CH][CH][C]1OCCNC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)[C]4[CH][CH][C]([C](F)[CH]4)C(F)(F)F InChIKey=WXBCYLDQOQMQLW-SFHVURJKSA-N InChI=1S/C25H27F5N3O3/c26-19-3-1-2-4-21(19)36-12-11-32-22(34)18-14-33(15-24(18)7-9-31-10-8-24)23(35)16-5-6-17(20(27)13-16)25(28,29)30/h1-6,13,18H,7-12,14-15,31H2,(H,32,34)/t18-/m0/s1 InChI=1/C25H27F5N3O3/c26-19-3-1-2-4-21(19)36-12-11-32-22(34)18-14-33(15-24(18)7-9-31-10-8-24)23(35)16-5-6-17(20(27)13-16)25(28,29)30/h1-6,13,18H,7-12,14-15,31H2,(H,32,34)/t18-/m0/s1/f/h32H 3934.3383959119 -1847.3901855 1-A 26666.3858 133 461 594 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.40968 -26.40411 -26.40270 -26.40127 -26.39732 -20.66652 -20.63141 -20.62663 -15.86290 -15.69650 -15.68368 -11.57885 -11.45781 -11.45257 -11.45223 -11.45156 -11.42943 -11.39630 -11.39390 -11.39038 -11.37793 -11.37584 -11.37240 -11.37238 -11.37091 -11.36534 -11.35790 -11.35308 -11.35138 -11.34951 -11.34290 -11.33881 -11.31283 -11.31139 -11.31014 -11.30669 -1.80588 -1.72509 -1.70979 -1.70333 -1.69905 -1.50052 -1.49843 -1.49819 -1.49365 -1.37730 -1.33842 -1.27816 -1.25673 -1.23540 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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| 8.2527 14.4948 22.6697 24.2888 26.1854 36.1267 48.0308 53.9540 55.5168 63.7531 69.4176 93.9932 100.7195 123.7688 136.0314 151.1932 163.0646 190.0775 199.0755 217.6484 229.1329 239.8217 251.5769 252.4587 268.0666 275.3277 285.2034 304.8403 316.0823 336.5397 354.9398 368.4571 382.1870 386.7991 405.1683 418.8173 445.1233 464.6173 490.7140 499.1467 515.2628 522.0812 524.3128 538.2281 543.0009 546.6812 584.8787 594.0932 599.4183 614.2017 618.5512 628.9827 651.1780 665.8183 672.1754 713.6887 727.4636 752.4887 795.3202 802.3156 827.2830 837.2371 840.7698 842.7776 864.1308 864.5287 868.3142 870.8989 875.1651 910.3833 942.1682 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32.62 34.95 37.67 51.98 69.11 77.63 79.88 91.73 99.88 135.24 144.91 178.08 195.72 217.53 234.61 273.48 286.43 313.15 329.67 345.05 361.96 363.23 385.69 396.14 410.34 438.60 454.77 484.21 510.68 530.13 549.88 556.52 582.95 602.58 640.43 668.48 706.03 718.16 741.35 751.16 754.37 774.39 781.26 786.55 841.51 854.77 862.43 883.70 889.96 904.97 936.90 957.96 967.11 1026.84 1046.66 1082.66 1144.29 1154.35 1190.28 1204.60 1209.68 1212.57 1243.29 1243.86 1249.31 1253.03 1259.17 1309.84 1355.57 1363.04 1373.14 1377.27 1398.56 1409.74 1421.67 1461.60 1468.82 1517.73 1544.14 1549.50 1556.33 1580.82 1593.99 1598.12 1608.06 1608.24 1622.50 1629.38 1633.12 1670.06 1692.69 1711.32 1737.75 1739.48 1750.57 1753.17 1776.15 1783.11 1795.64 1829.57 1854.74 1866.57 1898.89 1903.35 1907.60 1916.13 1934.74 1960.27 1972.79 1979.26 1988.95 1993.14 2013.49 2015.87 2020.78 2037.56 2045.00 2059.80 2084.76 2089.40 2092.97 2112.55 2117.03 2150.12 2166.46 2195.47 2202.61 2225.76 2228.26 2236.28 2244.67 2258.93 2268.32 2277.08 2300.36 2339.97 2360.06 2370.12 2371.90 2376.96 2390.98 2399.29 2412.79 2427.69 2428.45 2435.12 2503.07 2561.31 2584.83 2615.33 2626.11 2648.28 2726.57 2795.97 4602.23 4619.34 4649.84 4668.19 4671.10 4675.93 4689.01 4709.42 4715.30 4723.13 4731.42 4751.44 4754.20 4767.71 4771.11 4795.93 4803.90 4861.13 4876.82 4877.94 4890.78 4902.68 4918.59 4921.36 5260.36 5362.31 5580.16 0.545639 0.575885 0.576830 0.478213 -1846.844546 -1846.814300 -1846.813356 -1846.911972 3.307597D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE c1ccc(c(c1)OCCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(c(c4)F)C(F)(F)F)F C39685071 RHF 6-31G(d) (6D,10F) C1 512.197258 |X|Y|Z| 32.541863 74.604833 141.567372 70.047211 28 6 7 8 24 3 1 |36.858105| |13.755177|36.858105| |7.927935|13.734270|36.858105| |6.951256|8.025458|13.864350|36.858105| |7.942972|6.862424|7.890094|13.774763|36.858105| |13.735450|7.926138|6.850053|8.007519|13.782661|36.858105| |5.210692|4.605968|5.232128|8.045236|13.997854|7.942180|73.516695| |4.250674|3.835744|4.284206|5.952791|8.042250|5.857764|23.956902|36.858105| |3.243694|3.036172|3.418555|4.505841|5.308655|4.130866|14.388159|12.576582|36.858105| |3.079206|3.025185|3.571962|4.769007|5.014948|3.759050|12.330140|7.891886|13.108265|53.358707| |2.547661|2.541567|2.961779|3.702349|3.736420|2.980894|8.313792|5.206563|7.764052|19.467479|36.858105| |2.275456|2.242863|2.542474|3.079113|3.176319|2.641016|6.957281|4.529760|6.790640|11.579434|15.719736|73.516695| |2.388756|2.458239|2.917586|3.535752|3.349653|2.700469|6.915604|3.994921|5.002795|10.714426|12.464714|14.152855|36.858105| |2.423718|2.540145|3.062270|3.667982|3.352517|2.698945|6.669055|3.919869|4.620125|9.353125|9.070093|11.569320|17.498683|0.500000| |2.521249|2.624403|3.155205|3.818933|3.531880|2.830178|7.118100|3.755228|4.385172|8.827125|7.324461|9.325786|12.407240|0.247442|36.858105| |2.165187|2.276067|2.685157|3.076659|2.825302|2.360475|5.468606|2.924451|3.314045|5.992368|5.095831|7.404306|8.126156|0.192133|13.054926|53.358707| |1.938397|2.024496|2.351269|2.662032|2.481056|2.106178|4.819009|2.689587|3.101635|5.461657|5.007374|7.811925|8.048243|0.199690|7.872895|17.823466|36.858105| |2.003630|2.055026|2.372500|2.754146|2.641638|2.222703|5.322873|3.080892|3.772636|6.848873|7.304307|11.758731|12.310817|0.247811|7.853523|10.993477|12.345240|36.858105| |1.844981|1.890526|2.157344|2.461680|2.369919|2.028700|4.710847|2.828313|3.414162|5.777479|5.924136|11.064117|7.481680|0.200875|5.017526|6.972916|7.406053|12.372444|36.858105| |1.613397|1.646057|1.845460|2.064623|2.005923|1.756896|3.941621|2.342485|2.768023|4.420270|4.187966|8.107111|4.857634|0.128493|3.822782|5.623448|5.834445|7.416148|12.511969|36.858105| |1.575020|1.586819|1.760144|1.977834|1.959662|1.728191|3.903813|2.309522|2.777390|4.333629|4.079994|8.237033|4.419009|0.109491|3.633206|5.208945|4.966429|6.479678|7.734683|12.665325|53.358707| |1.454228|1.464007|1.610835|1.790592|1.776552|1.584933|3.504608|2.065190|2.437520|3.715049|3.360495|6.693549|3.590068|0.091171|3.080293|4.465843|4.124809|4.892825|5.692312|9.153936|25.690906|0.500000| |1.612356|1.611468|1.780600|2.014605|2.021183|1.782882|4.074561|2.452534|3.008672|4.602778|4.382712|9.489719|4.401209|0.108498|3.521495|4.792060|4.335762|5.944403|7.195040|9.209379|25.638118|0.327249|0.500000| |1.646249|1.657851|1.844933|2.084797|2.066742|1.813114|4.140931|2.386156|2.879546|4.593992|4.298266|8.181323|4.852358|0.113003|4.272374|6.312328|5.881452|7.406626|6.483873|7.644874|17.232043|0.254330|0.255702|36.858105| |1.895438|1.908809|2.156548|2.496637|2.473748|2.118165|5.068642|2.906174|3.631702|6.185679|6.245610|11.230571|7.455240|0.152667|6.225948|8.486172|7.511820|12.302164|7.496434|6.469721|10.500508|0.157913|0.199198|12.508557|36.858105| |2.083174|2.196625|2.557666|2.854373|2.623184|2.238825|4.964587|2.585021|2.840661|4.857509|3.874496|5.860821|5.238724|0.130282|7.871393|19.010360|7.536594|5.276459|3.818997|3.344105|4.370986|0.079431|0.082064|3.925702|4.796979|36.858105| |2.233356|2.347539|2.725319|3.046582|2.813875|2.404712|5.298453|2.668141|2.883697|4.849282|3.672675|5.523630|4.603549|0.113964|7.114926|11.624511|5.320374|4.321981|3.241309|2.854000|3.828566|0.070277|0.073610|3.406530|4.160441|15.904107|73.516695| |1.811002|1.913441|2.187525|2.370658|2.187445|1.914371|4.075043|2.158278|2.343744|3.850172|3.085346|4.890177|3.978573|0.103751|5.009012|10.516612|6.346112|4.341914|3.429293|3.200086|4.143919|0.077579|0.076080|3.654358|4.026411|12.665159|14.401262|36.858105| |1.721529|1.836030|2.101276|2.243877|2.047174|1.800599|3.766274|2.025927|2.177729|3.549117|2.854776|4.577312|3.680579|0.101221|4.284661|8.525208|6.039646|4.060664|3.425898|3.233985|3.999709|0.075652|0.072960|3.342351|3.561732|7.515426|9.662963|13.737740|36.858105| |1.540086|1.637407|1.843829|1.939987|1.786109|1.597431|3.264998|1.765909|1.883796|2.990080|2.384896|3.917243|2.935665|0.081109|3.275891|5.907304|4.401884|3.256498|2.898862|2.861265|3.579453|0.069613|0.065279|2.926981|2.971227|5.015053|7.255062|7.933644|13.743297|36.858105| |1.452106|1.530828|1.702326|1.787998|1.668062|1.506511|3.056715|1.645752|1.756165|2.746928|2.174956|3.610770|2.602080|0.070396|2.917173|5.069375|3.696616|2.883428|2.561613|2.579178|3.349870|0.066110|0.061322|2.783410|2.768061|4.446671|6.817264|6.848662|7.922202|13.769873|36.858105| |1.507815|1.578461|1.751757|1.855181|1.745599|1.574685|3.222734|1.718204|1.843935|2.887265|2.277981|3.766917|2.710311|0.071469|3.130668|5.437651|3.780406|2.988558|2.569278|2.566475|3.438052|0.067448|0.063227|2.961000|2.977592|5.095799|8.051428|8.006156|6.933725|8.007468|13.750049|36.858105| |1.675299|1.752413|1.965402|2.111894|1.983742|1.766200|3.694887|1.950526|2.111169|3.369412|2.665364|4.325084|3.245169|0.083667|3.951279|7.202487|4.629716|3.549140|2.898121|2.809231|3.785405|0.072549|0.069806|3.373006|3.550569|7.705808|11.779665|13.716823|7.923450|6.864957|7.889318|13.861907|36.858105| |1.408655|1.463952|1.604289|1.691347|1.609534|1.468556|2.970441|1.582945|1.693391|2.605050|2.037201|3.409880|2.352297|0.061784|2.676509|4.410540|3.084764|2.571483|2.247918|2.274297|3.115522|0.061995|0.057852|2.669169|2.638241|3.975455|6.685467|5.320107|4.683527|5.318362|8.169331|14.431487|8.210681|97.533100| |1.307997|1.375347|1.511852|1.572674|1.475823|1.348690|2.691118|1.457146|1.544679|2.373970|1.867168|3.143495|2.174912|0.059305|2.373826|3.929977|2.920311|2.394042|2.199111|2.255401|2.945910|0.059221|0.054322|2.385663|2.323526|3.289788|5.257948|4.442051|5.016149|7.543521|12.638028|7.607469|5.033840|15.413456|36.858105| |1.272372|1.343716|1.477853|1.528530|1.427431|1.306110|2.589919|1.411859|1.489761|2.284558|1.797217|3.033873|2.091325|0.057983|2.240280|3.671840|2.784568|2.294732|2.158532|2.217925|2.838164|0.057197|0.052429|2.240095|2.180781|2.968866|4.717380|3.858861|4.651905|7.031865|8.160840|5.270027|4.011447|10.497694|14.412228|97.533100| |1.238179|1.291413|1.411399|1.475567|1.399238|1.282594|2.570168|1.400037|1.494625|2.280855|1.805585|3.079475|2.078052|0.056139|2.232072|3.648142|2.769170|2.325035|2.157275|2.266684|3.013363|0.061531|0.055288|2.441424|2.310998|2.989295|4.801902|3.882963|4.163098|5.577705|8.156581|6.468635|4.494775|15.024278|14.420556|20.126680|97.533100| |1.280975|1.347836|1.472139|1.518838|1.426389|1.313111|2.583069|1.388823|1.458939|2.223558|1.724484|2.896338|1.980568|0.053993|2.182611|3.523881|2.543441|2.130544|1.951409|1.977330|2.607925|0.052346|0.048739|2.110377|2.083067|2.986144|4.957619|3.864437|4.139963|5.556274|8.140907|6.477651|4.492691|15.125451|14.471089|20.122516|20.133774|97.533100| |4.666749|5.288811|8.118343|14.199010|8.148696|5.299645|12.622825|5.798547|4.905555|8.039683|4.563607|6.396896|4.553342|0.134999|4.996727|5.222823|3.246906|3.347152|2.925963|2.382796|3.058431|0.055817|0.063187|2.378875|2.918503|3.429269|6.392317|2.764443|2.618679|2.210751|2.004244|2.073675|2.393335|4.185121|1.737256|3.800647|3.650281|3.736276|97.533100| |17.735796|8.917638|5.642404|4.993968|5.654691|8.929051|7.480891|3.597509|2.836801|3.626844|2.252291|3.638251|2.113605|0.059343|2.217675|2.635460|1.750385|1.806855|1.677125|1.484033|1.980848|0.037552|0.041404|1.516836|1.725750|1.876994|3.569768|1.653283|1.575166|1.422896|1.350011|1.400965|1.544474|2.965758|1.225102|2.683100|2.617243|2.709647|8.312899|0.500000| |8.911601|17.736490|8.932627|5.689795|4.947998|5.640307|6.500474|3.167149|2.598245|3.543285|2.245099|3.564386|2.201019|0.063406|2.345797|2.834306|1.866912|1.875297|1.739284|1.530120|2.003702|0.037945|0.041373|1.533190|1.743945|2.030445|3.841702|1.798101|1.739567|1.566792|1.467882|1.505853|1.656043|3.153440|1.328164|2.930308|2.800903|2.942789|9.580833|0.214734|0.500000| |5.624081|8.833657|17.742346|8.984890|5.641326|4.942462|7.546964|3.647285|3.062557|4.490953|2.829736|4.321165|2.884945|0.085661|3.140873|3.730402|2.399521|2.369594|2.162139|1.852041|2.377898|0.044490|0.048704|1.827716|2.123197|2.625785|4.927747|2.268464|2.209459|1.937921|1.773515|1.808503|2.020471|3.703160|1.573794|3.480515|3.280318|3.450092|16.642004|0.123653|0.212976|0.500000| |8.865041|5.630755|4.941316|5.687356|8.981572|17.730341|12.877941|5.716538|4.107445|4.847993|2.852931|4.592530|2.535742|0.069440|2.625996|3.000008|1.987239|2.119426|1.944287|1.699462|2.301005|0.043207|0.048742|1.771727|2.056596|2.094049|3.992610|1.802044|1.689022|1.507630|1.431975|1.501921|1.679227|3.173507|1.287616|2.799733|2.772338|2.821947|9.620727|0.213920|0.123805|0.107370|0.500000| |4.285150|4.045559|4.664554|6.443349|7.599286|5.536910|16.466084|17.573428|8.862744|9.697098|5.003255|7.693076|4.000801|0.114869|3.676730|3.954289|2.703129|3.065549|2.878426|2.359495|3.093644|0.056497|0.066660|2.312463|2.791367|2.544589|4.600114|2.142842|2.044869|1.782018|1.644626|1.698194|1.916500|3.500480|1.458186|3.203046|3.138857|3.120705|14.493361|0.099665|0.092871|0.111489|0.141031|0.500000| |4.181664|3.604671|3.789937|4.870241|6.695331|5.781817|16.472616|17.573463|8.867909|7.714794|4.204624|6.931714|3.309035|0.090065|3.121821|3.434466|2.354191|2.678080|2.507944|2.129597|2.887012|0.053288|0.062881|2.174161|2.581714|2.270118|4.170254|1.932286|1.820051|1.607471|1.509980|1.575394|1.770486|3.295578|1.349513|2.944841|2.930856|2.905030|10.108667|0.101858|0.083936|0.089683|0.172630|0.300350|0.500000| |2.876530|2.712606|3.010740|3.786634|4.292308|3.533149|10.259192|8.880174|17.627513|12.488422|7.243174|13.205609|4.651211|0.122630|3.851797|4.140854|2.965767|3.679832|3.519450|2.862553|3.896995|0.069868|0.087906|2.868440|3.526912|2.594686|4.589501|2.190446|2.065329|1.803331|1.678892|1.747639|1.977394|3.618406|1.487547|3.246815|3.254731|3.149403|9.232280|0.071206|0.065673|0.076295|0.098481|0.213378|0.212136|0.500000| |3.078407|2.827071|3.100539|3.974933|4.802779|3.931534|12.956073|8.898848|17.574845|12.382950|6.516213|10.832384|4.452869|0.110039|4.102505|4.299373|2.935446|3.543161|3.155137|2.638850|3.718461|0.067066|0.082513|2.889080|3.619358|2.772764|5.083975|2.293289|2.100593|1.828503|1.726598|1.832759|2.101988|3.822592|1.521881|3.279116|3.331885|3.245627|9.403744|0.076076|0.067740|0.077105|0.112922|0.173921|0.214625|0.301652|0.500000| |3.432626|3.439480|4.226338|5.969781|5.967331|4.199940|14.346771|7.627122|9.104100|26.033799|9.403004|10.844514|7.481231|0.189813|7.372001|6.445358|4.049868|4.711162|3.868621|3.003643|3.959612|0.070062|0.083722|3.136491|4.170168|3.891443|7.081475|3.006400|2.752926|2.294039|2.098253|2.210703|2.603916|4.462409|1.801170|3.893421|3.855402|3.814885|18.293021|0.080728|0.080945|0.107832|0.106543|0.197834|0.149120|0.182259|0.198683|0.500000| |2.539585|2.586648|3.042547|3.705888|3.582875|2.895058|7.449979|3.818407|4.552613|8.786018|6.894165|9.155540|8.702676|0.174400|17.585685|12.346355|6.136128|6.509842|4.343312|3.495251|4.787388|0.083570|0.096033|4.291680|6.336081|7.161955|13.227481|4.638868|3.801634|3.006965|2.778098|3.071127|3.914934|6.047602|2.280636|4.776352|4.880826|4.769594|10.333617|0.062349|0.063977|0.082277|0.075782|0.099476|0.089066|0.108106|0.125096|0.199701|0.500000| |2.839539|3.023665|3.776058|4.653633|4.067954|3.168833|7.903338|4.002834|4.374825|8.657770|6.206198|7.996213|8.674569|0.222474|17.617986|12.345970|5.957448|5.683237|4.169762|3.252006|4.151441|0.073515|0.082873|3.446176|4.616096|6.855553|12.092902|4.567507|4.040454|3.123906|2.766156|2.931283|3.630978|5.667142|2.272813|4.867572|4.747070|4.766731|14.811071|0.068223|0.074320|0.105532|0.079589|0.111144|0.090885|0.104642|0.110984|0.227857|0.303263|0.500000| |1.766182|1.835638|2.098040|2.339353|2.205398|1.906778|4.259217|2.369622|2.711517|4.573510|4.077920|6.692455|5.712979|0.142601|5.820018|12.347049|17.614162|8.615301|6.212691|5.849277|7.100135|0.124239|0.120395|6.553345|7.106454|7.062688|8.888248|7.052318|6.648419|4.988552|4.259159|4.379118|5.315628|7.906385|3.299773|6.961008|7.160803|6.302142|6.236347|0.044720|0.047400|0.059421|0.050382|0.065614|0.058620|0.072530|0.072759|0.093511|0.141216|0.128991|0.500000| |1.907851|2.015858|2.352766|2.624877|2.404440|2.048803|4.579178|2.579645|2.903780|5.031534|4.480711|7.057938|6.850042|0.202018|6.335038|12.299574|17.537824|8.784636|7.186648|5.627144|5.999401|0.104617|0.108137|4.719397|5.513674|6.113262|8.044972|5.642904|6.188746|4.554906|3.639392|3.533064|4.117035|6.475075|2.917319|6.455179|6.132475|5.686874|7.234511|0.047865|0.051963|0.067677|0.053347|0.073602|0.062879|0.078131|0.075001|0.104408|0.135916|0.150173|0.302926|0.500000| |1.850742|1.920430|2.207547|2.490476|2.349830|2.012106|4.572393|2.740759|3.192176|5.377599|5.168124|9.094565|6.705186|0.211600|4.720333|6.708608|7.024545|8.784354|17.564739|8.987893|7.646557|0.127047|0.145299|4.887921|5.477431|3.705484|5.558376|3.391162|3.538209|2.992548|2.579557|2.527377|2.815079|4.933634|2.221034|4.988014|4.839958|4.425797|6.718771|0.046655|0.049305|0.062262|0.053074|0.079340|0.067393|0.091244|0.080502|0.103013|0.109642|0.114660|0.159557|0.225894|0.500000| |1.897842|1.924447|2.184040|2.517082|2.465348|2.108310|4.980137|3.088588|3.842339|6.363639|6.781083|14.456477|7.082145|0.189781|4.596358|5.882339|5.488342|8.867131|17.609036|8.927792|9.464486|0.145680|0.211234|5.625477|6.630492|3.329614|5.223611|2.951289|2.909580|2.503056|2.249869|2.273922|2.553098|4.554117|1.960222|4.328820|4.339273|3.968884|6.665571|0.047929|0.048933|0.060092|0.056505|0.087290|0.076263|0.114393|0.097337|0.112834|0.114263|0.108868|0.130805|0.147056|0.303734|0.500000| |1.550474|1.592604|1.785833|1.976147|1.901456|1.673147|3.686733|2.152932|2.489710|3.977378|3.637161|6.715780|4.384850|0.117548|3.691303|5.784214|6.242328|6.587261|8.699333|17.614364|12.445035|0.221879|0.181064|7.085652|5.749134|3.521750|5.224968|3.527383|3.662673|3.276942|2.921995|2.857008|3.082469|5.623337|2.541794|5.646242|5.772134|4.917583|5.126861|0.039686|0.041354|0.050193|0.044794|0.060330|0.054443|0.070344|0.066260|0.077032|0.093214|0.087877|0.191093|0.171867|0.212504|0.173011|0.500000| |1.536144|1.564776|1.742051|1.933952|1.884815|1.665730|3.679664|2.213608|2.585165|4.009519|3.689132|7.293980|4.051168|0.111293|3.229640|4.630439|4.489370|5.433331|8.780751|17.627255|12.351170|0.224213|0.221502|5.594632|4.859612|2.833243|4.391712|2.739198|2.809094|2.546412|2.307771|2.271893|2.440556|4.588836|2.062521|4.621362|4.677685|4.096872|4.962954|0.039427|0.040564|0.048564|0.044889|0.062415|0.056520|0.075632|0.068174|0.075424|0.082643|0.078821|0.123787|0.126045|0.211876|0.217026|0.301122|0.500000| |1.577842|1.601916|1.783964|1.991706|1.950257|1.719155|3.841188|2.184337|2.566046|4.095239|3.702609|6.751091|4.373339|0.105429|4.072386|6.505125|6.279488|6.563613|5.746514|7.081302|12.456602|0.222437|0.181153|17.625553|8.689379|4.191894|6.273439|4.139565|3.812214|3.370278|3.218053|3.413379|3.847751|6.829372|2.726034|5.713726|6.342966|5.317151|5.114277|0.040454|0.041403|0.049539|0.046428|0.059288|0.055347|0.070411|0.071080|0.079748|0.111456|0.092547|0.223489|0.140129|0.129547|0.131747|0.217457|0.145304|0.500000| |1.584930|1.582235|1.741702|1.962534|1.972095|1.748743|3.963640|2.277392|2.743745|4.234696|3.819881|7.391525|4.048003|0.095154|3.703264|5.294185|4.525326|5.429448|4.870866|5.595543|12.352342|0.224241|0.221619|17.627986|8.792519|3.462825|5.555036|3.242810|2.929212|2.624224|2.563249|2.768783|3.119204|5.778771|2.235135|4.686663|5.211017|4.505870|4.952635|0.040800|0.040697|0.047628|0.047903|0.060574|0.058389|0.075914|0.078284|0.080157|0.107597|0.085017|0.138198|0.104299|0.107597|0.126375|0.145280|0.126491|0.301460|0.500000| |1.957565|1.944541|2.181557|2.556084|2.593436|2.218772|5.452637|3.197362|4.189279|6.968611|7.296759|14.780453|7.029147|0.144359|5.579188|6.805224|5.526645|8.796175|6.596143|5.594785|9.425233|0.145393|0.209793|8.952629|17.628499|3.996769|6.506045|3.349901|2.999430|2.553863|2.401394|2.575933|3.020474|5.241857|2.056566|4.368132|4.609046|4.208169|6.639042|0.049535|0.049055|0.058861|0.060473|0.083757|0.079175|0.114516|0.118369|0.123548|0.165281|0.119984|0.141692|0.123340|0.136035|0.188635|0.131461|0.125635|0.173260|0.218638|0.500000| |1.936398|1.950419|2.202838|2.547923|2.523586|2.162582|5.153773|2.856300|3.496621|5.942341|5.515807|9.219762|6.653494|0.137172|6.825572|9.573156|7.198038|8.743914|5.480929|4.890716|7.646419|0.127164|0.144985|9.012674|17.577983|5.743653|8.995731|4.600012|3.812223|3.137972|2.977594|3.320295|4.126572|6.611114|2.457092|5.089894|5.478426|4.988392|6.675697|0.048949|0.049478|0.060192|0.058268|0.075293|0.070449|0.091276|0.098941|0.115999|0.214075|0.137225|0.197482|0.142740|0.123224|0.136491|0.130024|0.107575|0.213422|0.212228|0.303812|0.500000| |1.800334|1.936388|2.243509|2.397653|2.156403|1.880634|3.949346|2.140053|2.291890|3.780442|3.051592|4.838180|4.037704|0.115850|4.586117|9.060655|6.658193|4.360370|3.740890|3.410494|4.061697|0.075932|0.074569|3.292289|3.586915|6.897957|8.958399|8.892229|17.741383|8.943688|5.650132|4.985847|5.635572|8.337639|4.093413|9.087883|7.845279|7.819406|6.408302|0.045512|0.050881|0.066152|0.048667|0.060777|0.053033|0.060572|0.060475|0.081808|0.107703|0.122752|0.183551|0.214939|0.111600|0.087411|0.106512|0.082640|0.101847|0.079018|0.084531|0.103304|0.500000| |1.478085|1.577043|1.771447|1.848011|1.696279|1.524124|3.081223|1.679584|1.780021|2.802926|2.230111|3.689836|2.713474|0.076568|2.937194|5.097933|3.917272|2.990323|2.764026|2.747696|3.374813|0.066144|0.061797|2.673736|2.689424|4.083009|6.072330|5.648279|8.923524|17.765170|8.955677|5.682019|4.951803|9.625341|6.988167|18.137332|11.706103|11.699891|4.718532|0.038027|0.042139|0.052000|0.039926|0.047442|0.042621|0.047692|0.047718|0.059506|0.074345|0.078850|0.119834|0.117755|0.080896|0.066597|0.087636|0.069204|0.084551|0.066651|0.065090|0.077080|0.216000|0.500000| |1.707857|1.770724|1.972931|2.131645|2.027476|1.810602|3.801378|1.987509|2.156731|3.415851|2.673151|4.341597|3.173649|0.080202|3.925302|6.724404|4.189527|3.406031|2.752860|2.658454|3.684247|0.070568|0.068833|3.341466|3.560928|7.133676|12.605235|8.856312|5.629795|4.952004|5.638389|8.975177|17.759127|16.773822|4.117641|7.524500|8.665459|8.698719|5.379510|0.043806|0.046327|0.055752|0.048076|0.053614|0.050252|0.055687|0.060468|0.073351|0.113567|0.099771|0.129881|0.101169|0.073050|0.068572|0.079280|0.064336|0.103338|0.088159|0.085498|0.118873|0.123682|0.107581|0.500000| 1844.834059 -12186.510373 4794.677525 -234.730115 -5781.728904 3934.338679 -1847.390225 2.001386 408B00000000001D 4573B400C8F8C3E1 44F2E4329C41EEA0 42A0C0C6EAC80000 B81C956E7A4FF521 447298307F2A364A