Version2.1 2020-12-18T00:23:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)C[C@@H](c2ccccc2)NC(=O)C[NH+]3CCN(CC3)c4ccccc4[N+](=O)[O-] C24104626 RHF 6-31G(d) (6D,7F) c1ccc(cc1)C[C@@H](c2ccccc2)NC(=O)C[NH+]3CCN(CC3)c4ccccc4[N+](=O)[O-] C01[X(C26H29N4O3)] 180 C1 553 O=C(N[C@H](c1ccccc1)Cc1ccccc1)C[NH+]1CCN(CC1)c1ccccc1[N+](=O)[O-] O=C(N[C@H](c1ccccc1)Cc1ccccc1)C[NH+]1CCN(CC1)c1ccccc1[N+](=O)[O-] [O-][N+](=O)c1ccccc1N2CC[NH+](CC2)CC(=O)N[C@@H](Cc3ccccc3)c4ccccc4 InChIKey=BRBRQYZCQGFHJC-QHCPKHFHSA-O InChI=1S/C26H28N4O3/c31-26(27-23(22-11-5-2-6-12-22)19-21-9-3-1-4-10-21)20-28-15-17-29(18-16-28)24-13-7-8-14-25(24)30(32)33/h1-14,23H,15-20H2,(H,27,31)/p+1/t23-/m0/s1 InChI=1/C26H28N4O3/c31-26(27-23(22-11-5-2-6-12-22)19-21-9-3-1-4-10-21)20-28-15-17-29(18-16-28)24-13-7-8-14-25(24)30(32)33/h1-14,23H,15-20H2,(H,27,31)/p+1/t23-/m0/s1/fC26H29N4O3/h27-28H/q+1 c1ccc(cc1)C[C@@H](c2ccccc2)NC(=O)C[NH+]3CCN(CC3)c4ccccc4[N+](=O)[O-] C01[X(C26H29N4O3)] 180 C01 553 O=C(N[C@H](c1ccccc1)Cc1ccccc1)C[NH+]1CCN(CC1)c1ccccc1[N+](=O)[O-] O=[C]([NH][C@H]([C]1[CH][CH][CH][CH][CH]1)C[C]1[CH][CH][CH][CH][CH]1)C[NH]1CC[N@](CC1)[C]1[CH][CH][CH][CH][C]1[N]([O])[O] [O]N([O])[C]1[CH][CH][CH][CH][C]1N2CC[NH](CC2)CC(=O)N[C@@H](C[C]3[CH][CH][CH][CH][CH]3)[C]4[CH][CH][CH][CH][CH]4 InChIKey=CBINKISIQFFSMX-QHCPKHFHSA-N InChI=1S/C26H29N4O3/c31-26(27-23(22-11-5-2-6-12-22)19-21-9-3-1-4-10-21)20-28-15-17-29(18-16-28)24-13-7-8-14-25(24)30(32)33/h1-14,23,28H,15-20H2,(H,27,31)/t23-/m0/s1 InChI=1/C26H29N4O3/c31-26(27-23(22-11-5-2-6-12-22)19-21-9-3-1-4-10-21)20-28-15-17-29(18-16-28)24-13-7-8-14-25(24)30(32)33/h1-14,23,28H,15-20H2,(H,27,31)/t23-/m0/s1/f/h27H 3208.6215531244 -1443.5458568 1-A 22100.4601 118 435 553 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9.7246 11.4827 10.1178 10.1461 24.4250 18.9888 6.2798 6.3090 6.5289 6.6805 6.9304 6.7071 6.7620 6.9559 7.0188 7.2602 7.3020 7.1657 7.1922 7.2103 7.2269 7.2450 7.4083 7.2957 7.3121 7.3274 7.3688 7.3838 7.4147 7.4558 7.4652 7.4948 7.5755 8.1715 9.4917 0.3776 1.2219 2.3544 0.4752 0.5781 0.7801 2.9565 1.8080 1.4551 11.6900 3.0228 1.2636 8.8045 2.2243 2.1020 0.9683 3.4300 8.0954 7.0876 3.1699 0.0253 0.3649 4.6518 0.7231 24.8734 14.8213 1.2529 3.8317 27.9866 1.6363 1.5401 2.0839 0.4174 107.2004 7.9477 9.6709 4.8139 3.9280 2.3634 36.4294 23.3686 17.5409 1.9990 4.9215 0.5811 0.1360 0.3064 3.0044 5.9466 19.2000 10.3772 15.5775 49.4241 19.0556 5.1197 13.4137 54.4753 46.4841 13.7736 9.6184 8.4702 2.2110 1.7637 0.1107 2.0508 37.1473 1.1567 2.8168 3.2589 66.1046 2.6945 7.0739 1.1606 18.5555 2.1486 1.6630 38.8445 2.7216 0.5930 0.1359 21.0817 1.2075 1.5216 0.3159 0.0806 9.4844 0.3429 4.0342 0.6728 46.8006 15.7870 3.5813 1.0763 1.7966 12.8061 1.2386 32.6215 3.2619 1.3925 1.8707 1.5380 0.3851 1.0183 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12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 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 9073.3166 32911.5141 39221.4742 0.99998 0.00519 0.00272 -0.00518 0.99998 -0.00301 -0.00273 0.00300 0.99999 1 0.00955 0.00263 0.00221 0.19891 0.05484 0.04601 7.88 19.24 32.91 43.14 46.35 53.41 68.10 76.44 80.90 113.29 118.89 129.79 158.63 194.09 209.56 235.10 251.93 323.04 351.87 361.49 384.60 387.30 415.49 472.75 488.53 515.93 545.03 560.49 602.41 614.14 644.07 652.71 657.35 691.44 706.79 728.03 740.17 756.81 785.09 848.91 864.80 870.42 914.23 922.36 946.93 978.00 979.82 1008.09 1011.62 1062.09 1113.97 1123.24 1127.81 1156.72 1191.06 1201.08 1223.56 1242.96 1259.04 1278.47 1300.17 1327.00 1345.71 1375.05 1381.40 1386.10 1391.63 1432.52 1459.84 1472.82 1480.29 1498.33 1499.72 1561.32 1565.56 1568.47 1577.28 1585.17 1586.44 1590.97 1618.15 1622.82 1626.12 1631.94 1633.57 1638.27 1642.42 1651.67 1654.93 1677.36 1696.64 1705.15 1707.61 1728.40 1738.60 1744.72 1769.42 1775.47 1815.49 1834.78 1869.21 1877.25 1877.78 1886.06 1897.27 1901.18 1913.38 1922.84 1928.83 1942.22 1970.34 1991.99 2018.52 2035.23 2055.25 2059.78 2103.32 2120.77 2130.20 2140.24 2158.92 2176.18 2189.06 2211.90 2222.92 2244.32 2285.13 2290.65 2321.86 2330.96 2337.75 2338.38 2339.49 2349.87 2350.69 2362.93 2371.59 2380.08 2389.82 2404.33 2404.77 2406.48 2492.14 2557.60 2566.37 2572.55 2584.86 2604.41 2606.93 2673.34 2778.24 4531.58 4541.73 4642.49 4702.91 4703.19 4712.32 4734.54 4737.15 4752.14 4796.09 4803.58 4806.21 4817.32 4822.20 4823.28 4834.17 4835.00 4847.77 4851.48 4860.24 4862.35 4866.79 4881.96 4882.72 4885.46 4901.04 4927.39 5162.37 5558.59 0.560335 0.587338 0.588282 0.496071 -1442.985521 -1442.958519 -1442.957574 -1443.049786 3.092806D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE c1ccc(cc1)C[C@@H](c2ccccc2)NC(=O)C[NH+]3CCN(CC3)c4ccccc4[N+](=O)[O-] C24104626 RHF 6-31G(d) (6D,10F) C1 445.223966 |X|Y|Z| 65.681210 129.766854 30.772512 64.011198 29 6 7 26 3 |36.858105| |13.775531|36.858105| |7.934765|13.718913|36.858105| |6.814614|7.882031|13.714470|36.858105| |7.927610|6.886118|7.971038|13.677008|36.858105| |13.723411|7.957198|6.895964|7.892520|13.772590|36.858105| |4.419063|5.002568|7.541454|12.570324|7.531687|5.007044|36.858105| |3.717363|4.009457|5.333145|7.435705|5.932684|4.251909|12.368011|36.858105| |3.754492|3.814364|4.760838|6.804946|6.463270|4.545844|8.869693|17.631958|0.500000| |2.890528|3.108085|3.926975|4.879223|4.135191|3.211433|7.501427|12.536990|0.249049|36.858105| |2.557212|2.655100|3.198982|3.944270|3.634428|2.891550|5.413855|7.573790|0.206205|13.740889|36.858105| |2.170141|2.259312|2.661554|3.125865|2.895707|2.399249|4.061713|5.015563|0.133940|7.904585|13.731439|36.858105| |2.045438|2.171626|2.564427|2.905839|2.617481|2.205021|3.754303|4.423366|0.111274|6.833678|7.936327|13.773412|36.858105| |2.203316|2.398364|2.895650|3.223534|2.785453|2.336045|4.279130|5.000037|0.116743|7.903364|6.888616|7.952759|13.729494|36.858105| |2.610562|2.887222|3.628584|4.142815|3.421499|2.781538|5.957603|7.505823|0.155737|13.690149|7.964821|6.888485|7.936259|13.775353|36.858105| |3.795784|4.216588|5.469264|6.507457|5.202255|4.094267|7.772986|12.952481|0.257655|7.682872|5.293018|3.997571|3.758186|4.386235|6.296606|53.358707| |3.356166|3.558067|4.201744|4.771133|4.305632|3.623242|5.180674|7.769533|0.204774|5.946702|4.733040|3.715447|3.451355|3.849042|5.009395|19.584360|36.858105| |3.005725|3.063498|3.508584|4.086349|3.943963|3.343448|4.473901|6.708449|0.205111|5.687510|5.075567|3.957678|3.513184|3.700292|4.557692|11.490363|15.794649|73.516695| |3.136612|3.372834|3.777612|3.896897|3.539605|3.201414|3.953452|4.981445|0.130227|4.192014|3.488951|2.951832|2.860665|3.213646|3.939834|10.687388|12.429210|14.408826|36.858105| |2.773939|2.854440|3.054965|3.183007|3.068909|2.866780|3.175377|3.910122|0.109397|3.435058|3.067512|2.657510|2.536301|2.733763|3.182719|7.126441|7.834417|13.117183|12.822527|53.358707| |2.627954|2.674008|2.898907|3.116705|3.040160|2.784957|3.199513|4.090317|0.117497|3.689331|3.382602|2.917482|2.735127|2.891344|3.338266|7.135916|8.232342|16.950624|9.582943|25.529806|0.500000| |3.038670|3.006398|3.080837|3.197588|3.234582|3.149655|3.021371|3.557562|0.103510|3.018788|2.751028|2.371917|2.229741|2.365570|2.738556|6.125029|6.022371|10.493562|7.678236|17.210750|0.259750|36.858105| |2.537166|2.467595|2.494583|2.596018|2.676028|2.643430|2.485095|2.877254|0.084714|2.550604|2.412132|2.133453|2.001792|2.078983|2.332498|4.626552|4.301265|8.108767|4.999929|10.474172|0.197975|12.556190|36.858105| |2.230475|2.214391|2.238796|2.280892|2.297164|2.271123|2.210526|2.524104|0.072304|2.300875|2.169243|1.961865|1.877776|1.961598|2.167270|4.063202|3.677988|6.705339|4.515096|9.165659|0.165679|7.900712|13.137471|53.358707| |2.104988|2.132187|2.206694|2.256573|2.222465|2.146791|2.249179|2.617419|0.073752|2.449365|2.302228|2.104311|2.037015|2.137709|2.344240|4.261079|3.934838|7.195816|4.977460|10.453057|0.195364|6.612891|7.939336|17.952388|36.858105| |2.350458|2.438400|2.570382|2.606364|2.497193|2.376108|2.615566|3.090591|0.084838|2.855013|2.590652|2.334606|2.284414|2.460949|2.763718|5.334418|5.115553|8.690480|7.637134|17.303763|0.255719|7.658621|6.628610|10.761114|12.508106|36.858105| |1.981139|1.948924|1.946605|1.975791|2.008541|2.011253|1.910413|2.138229|0.061409|1.974916|1.889664|1.733390|1.661910|1.719242|1.870218|3.333618|2.898551|5.319290|3.378989|6.107661|0.116758|5.157970|7.804427|18.252523|7.772229|5.141344|36.858105| |1.772847|1.741444|1.752493|1.796171|1.829765|1.817428|1.760880|1.976067|0.056982|1.860841|1.810913|1.682376|1.610366|1.645434|1.764122|3.014789|2.600039|4.884510|2.917954|5.119477|0.103476|4.061851|5.767340|10.552332|6.353991|4.255563|13.736811|36.858105| |1.606813|1.573267|1.571669|1.603111|1.638003|1.639953|1.567541|1.732413|0.049860|1.640614|1.605280|1.504458|1.444692|1.470459|1.563430|2.602610|2.190254|4.082053|2.416900|4.033317|0.081435|3.193290|4.189913|6.958608|4.411544|3.288754|7.887906|13.736485|36.858105| |1.592061|1.555499|1.535796|1.550180|1.585982|1.607740|1.499555|1.633941|0.046840|1.536418|1.493795|1.397821|1.347058|1.378159|1.469185|2.454657|2.035697|3.728782|2.258325|3.679186|0.072686|2.971982|3.760012|6.139998|3.774359|2.975914|6.795665|7.924565|13.772739|36.858105| |1.734967|1.695480|1.658804|1.658335|1.694997|1.734128|1.585912|1.718808|0.049106|1.595890|1.534267|1.424252|1.374656|1.418516|1.526322|2.612735|2.165199|3.902846|2.448100|3.990476|0.076690|3.321413|4.173656|6.966389|4.011660|3.230598|7.837795|6.881013|7.967121|13.768630|36.858105| |1.949488|1.911070|1.875241|1.874853|1.910726|1.948637|1.787071|1.956290|0.055889|1.796654|1.711447|1.572962|1.515286|1.573574|1.711233|3.030426|2.558804|4.588811|2.972234|5.033392|0.094295|4.339406|5.743767|10.608961|5.308914|4.129149|13.656612|8.017836|6.942942|7.981999|13.791890|36.858105| |2.150378|2.113244|2.040964|2.004677|2.036292|2.107830|1.877689|2.027148|0.057484|1.832809|1.721150|1.570315|1.518137|1.593155|1.750258|3.178167|2.647714|4.611196|3.139331|5.136900|0.092575|4.583485|5.407084|9.039642|4.705501|4.111322|7.666730|5.107533|4.533835|5.152317|7.876527|13.057175|53.358707| |2.012806|1.995478|1.916931|1.859647|1.873740|1.946566|1.742918|1.856983|0.052164|1.691396|1.585399|1.457434|1.420344|1.495114|1.633261|2.893092|2.361476|4.068737|2.787764|4.368535|0.079195|3.695234|4.086840|6.680002|3.903118|3.547070|5.537354|4.165509|3.938299|4.653034|6.939897|8.419096|21.807858|73.516695| |2.479146|2.414032|2.310797|2.268280|2.322365|2.426943|2.090728|2.257747|0.064375|2.000329|1.864526|1.678936|1.612817|1.698267|1.889848|3.578941|2.997444|5.170718|3.573411|5.859301|0.103250|5.732745|6.452454|9.368195|4.725057|4.380867|6.638570|4.528904|3.883551|4.152051|5.599253|8.339072|21.648771|16.021699|73.516695| |17.723965|8.914883|5.641460|4.922156|5.641261|8.898766|3.537159|3.089740|0.087222|2.491689|2.244494|1.938470|1.835280|1.962237|2.280526|4.334951|2.915459|4.720226|2.805105|3.471766|0.066860|2.839193|2.426880|2.927241|2.004870|2.204358|1.938467|1.732322|1.583948|1.584725|1.735332|1.936016|2.931427|3.610542|4.412362|0.500000| |8.919103|17.716917|8.912912|5.625429|4.958910|5.650654|4.085729|3.395989|0.088933|2.748990|2.364517|2.054407|2.004352|2.222140|2.629415|4.962946|3.157240|4.845417|3.119871|3.624908|0.068599|2.790962|2.319885|2.891097|2.046285|2.336715|1.884773|1.680403|1.527415|1.521575|1.666116|1.869630|2.841439|3.553227|4.209375|0.214698|0.500000| |5.650505|8.929113|17.679840|8.904477|5.652502|4.961472|6.990900|5.053162|0.119141|3.944463|3.143403|2.667258|2.642109|3.066567|3.859894|7.253974|4.040265|5.913262|3.734333|4.030168|0.077715|2.891123|2.355115|2.937921|2.162481|2.547384|1.878048|1.695521|1.522818|1.487564|1.603930|1.808827|2.675820|3.311552|3.909951|0.124229|0.216022|0.500000| |5.646325|4.957212|5.654151|8.891233|17.693967|8.947002|6.980577|6.084882|0.205811|4.352179|4.022588|3.141196|2.749880|2.846742|3.452231|6.697207|4.219288|7.267082|3.356572|4.068728|0.084501|3.134535|2.651629|3.072853|2.192246|2.427738|1.983123|1.828515|1.637149|1.573346|1.665350|1.868920|2.668757|3.191840|3.946780|0.124225|0.107599|0.124049|0.500000| |8.906980|5.653991|4.964047|5.628918|8.934353|17.717729|4.087440|3.663110|0.112078|2.877379|2.678409|2.249492|2.050802|2.134792|2.489784|4.772211|3.238363|5.506350|2.887113|3.649147|0.073060|3.003602|2.597887|3.015835|2.069468|2.241394|1.988763|1.807695|1.641230|1.612126|1.733414|1.933978|2.829567|3.402888|4.249496|0.214598|0.124167|0.107673|0.216398|0.500000| |3.965252|4.265069|5.811550|8.862543|6.835434|4.631281|17.571841|8.959815|0.216385|6.994062|5.691821|4.297516|3.857760|4.195657|5.459864|7.700449|4.230969|6.940181|3.301886|3.774574|0.078783|2.666787|2.259218|2.741797|2.044960|2.325533|1.765664|1.645936|1.476516|1.411604|1.482386|1.654300|2.346342|2.851813|3.386357|0.090324|0.098694|0.149653|0.197222|0.109422|0.500000| |3.976895|4.769438|7.299213|8.890593|5.589859|4.185251|17.549428|8.832501|0.174145|6.938183|4.870641|3.901005|3.833894|4.631370|6.575809|9.421902|4.680333|7.030912|3.793115|4.083517|0.082897|2.797117|2.314192|2.864010|2.164949|2.540192|1.824687|1.682735|1.503490|1.442420|1.526380|1.714722|2.459514|3.010224|3.546739|0.090534|0.113572|0.224155|0.140713|0.096256|0.305146|0.500000| |2.634292|2.660917|3.145018|3.966945|3.871517|3.062732|5.145175|7.041182|0.229292|8.916892|17.706053|8.928621|5.650783|4.959294|5.652954|6.733532|4.604272|9.259156|3.373689|4.162809|0.094634|2.823795|2.499695|3.003618|2.305398|2.548100|1.929507|1.853773|1.643575|1.527126|1.565604|1.745034|2.380219|2.846701|3.383298|0.064311|0.065195|0.083385|0.124865|0.080179|0.154288|0.121739|0.500000| |2.004133|2.055825|2.371939|2.766012|2.638969|2.224202|3.440022|4.096892|0.114744|5.636350|8.920944|17.723271|8.919105|5.649678|4.960519|4.579114|3.221782|6.240010|2.621119|3.306618|0.074383|2.202571|2.021386|2.531279|1.984104|2.156228|1.661825|1.629131|1.465649|1.358802|1.375277|1.508348|2.035164|2.467555|2.829222|0.050222|0.052125|0.065405|0.080420|0.058845|0.102500|0.090805|0.215940|0.500000| |1.836661|1.941461|2.252443|2.505367|2.287461|1.964903|3.117808|3.539986|0.091091|4.932125|5.643298|8.916669|17.724730|8.904607|5.645601|4.240801|2.925097|5.316661|2.509129|3.088697|0.067696|2.008613|1.831850|2.363570|1.885936|2.086527|1.553562|1.517108|1.370816|1.278495|1.298185|1.420594|1.928945|2.368170|2.656648|0.046253|0.050275|0.064562|0.066534|0.051204|0.089357|0.088883|0.124237|0.214760|0.500000| |2.050703|2.250429|2.683730|2.888000|2.493789|2.135929|3.679715|4.079769|0.096484|5.632719|4.960259|5.651716|8.906576|17.719239|8.931854|5.159250|3.376884|5.688415|2.964027|3.448178|0.073334|2.192194|1.939677|2.529272|2.033310|2.339585|1.638970|1.569941|1.410347|1.326555|1.365532|1.508594|2.082594|2.571903|2.880474|0.051173|0.058842|0.080342|0.069749|0.054295|0.099348|0.113758|0.107634|0.124151|0.214670|0.500000| |2.740724|3.127648|4.006677|4.350473|3.448664|2.841295|6.067186|6.934389|0.140418|8.879798|5.649299|4.958305|5.652136|8.957434|17.694055|9.112674|5.074857|7.670641|4.206907|4.444796|0.092256|2.795932|2.345538|2.994967|2.379070|2.860898|1.891111|1.765413|1.564719|1.480009|1.549367|1.743011|2.453712|3.006619|3.466911|0.066299|0.080009|0.124002|0.093136|0.069620|0.144143|0.206491|0.124017|0.107622|0.124338|0.216604|0.500000| |4.089976|4.842747|6.554512|6.915490|5.117765|4.171462|7.535027|8.946720|0.185599|6.077581|4.336844|3.463315|3.378776|4.034792|5.645818|26.036176|9.503645|10.859011|7.514395|6.602881|0.127308|4.258232|3.206940|3.920360|2.998030|3.796362|2.377497|2.129236|1.851066|1.765389|1.895978|2.197672|3.193074|3.839125|4.704391|0.094556|0.117565|0.187898|0.126410|0.096844|0.147753|0.207900|0.112000|0.081967|0.079408|0.100823|0.184157|0.500000| |2.776446|3.039635|3.434948|3.480858|3.095830|2.797953|3.664868|4.537824|0.114310|4.120914|3.405648|2.971676|2.976013|3.422198|4.131645|9.186612|8.884336|11.527899|17.606461|12.340040|0.211199|5.642252|4.181670|5.526679|4.761663|7.529142|3.129348|2.757061|2.306643|2.152061|2.311908|2.764260|3.933030|4.664736|5.651842|0.069538|0.079720|0.097957|0.081908|0.070289|0.086010|0.101688|0.088763|0.072762|0.072897|0.089484|0.125618|0.187260|0.500000| |3.538659|3.883931|4.249697|4.153617|3.735588|3.480629|3.963598|4.623285|0.120129|3.757567|3.119825|2.652700|2.584661|2.915011|3.568062|9.662795|8.669218|10.700606|17.633209|12.305468|0.185456|7.433373|4.737483|5.856510|4.439781|6.408717|3.285805|2.778794|2.336408|2.230667|2.464277|2.999432|4.493207|5.258626|6.847109|0.087863|0.100834|0.116346|0.094851|0.085795|0.090787|0.106588|0.084362|0.065836|0.063467|0.075671|0.108518|0.217188|0.300782|0.500000| |3.192474|3.191614|3.184639|3.176668|3.176743|3.183958|2.922802|3.303754|0.093780|2.790240|2.509026|2.181651|2.079896|2.231990|2.584035|5.716403|5.197913|8.429460|7.031042|12.348935|0.181787|17.646880|8.894934|9.738816|5.815224|6.945440|4.957759|3.777505|3.058568|2.949159|3.411287|4.510842|7.112522|7.511456|12.468496|0.083958|0.083865|0.083371|0.083194|0.083562|0.071204|0.076315|0.070782|0.056158|0.052286|0.058141|0.074731|0.116507|0.149385|0.223603|0.500000| |3.437972|3.318274|3.418756|3.671655|3.834006|3.695695|3.408973|4.067921|0.123126|3.311753|3.023325|2.541949|2.343301|2.470085|2.901835|6.901376|6.785907|12.213838|7.176915|12.380171|0.229360|17.642777|8.798973|7.707162|4.965460|5.612969|4.184669|3.490776|2.839696|2.655050|2.917059|3.641464|5.211984|5.647024|8.433381|0.087717|0.083189|0.086664|0.104175|0.098121|0.083326|0.085081|0.088004|0.065495|0.058091|0.062685|0.081339|0.128923|0.143299|0.193945|0.298193|0.500000| |2.585358|2.461979|2.432070|2.515829|2.647527|2.686713|2.357919|2.659673|0.078850|2.339646|2.224611|1.970645|1.844853|1.908790|2.135353|4.176414|3.707951|6.890122|4.155227|7.636332|0.145070|9.014745|17.682499|12.472897|5.721746|4.958774|7.396872|5.439452|4.202032|3.940474|4.510155|6.191079|8.185808|7.798302|13.676258|0.069851|0.064457|0.063123|0.072686|0.074619|0.060001|0.060780|0.064538|0.052180|0.047077|0.049581|0.059704|0.081455|0.097648|0.114824|0.217986|0.211579|0.500000| |2.397525|2.320893|2.378900|2.530693|2.629154|2.552376|2.470837|2.913833|0.087386|2.626741|2.541073|2.250971|2.084902|2.131628|2.371373|4.558954|4.280914|8.667609|4.611393|9.351974|0.207714|8.834879|17.439102|12.250326|7.123925|5.797530|6.550556|5.714129|4.148610|3.561514|3.728281|4.759336|5.803481|6.022925|8.505735|0.063299|0.060104|0.062337|0.074006|0.070252|0.063149|0.063429|0.074038|0.059762|0.053030|0.054820|0.065086|0.085496|0.109169|0.115935|0.173639|0.214323|0.301303|0.500000| |1.921555|1.957601|2.016506|2.038462|1.996238|1.939279|2.035381|2.326922|0.064884|2.208957|2.080726|1.931701|1.893495|1.989501|2.151829|3.734858|3.317807|5.961185|4.135826|7.624031|0.143272|4.948609|5.711381|12.474299|17.617425|8.976961|7.324764|6.344660|4.601166|3.962194|4.170659|5.335333|6.303563|7.141588|7.737861|0.051203|0.052783|0.055413|0.054518|0.051964|0.051696|0.055051|0.057457|0.050769|0.049185|0.053223|0.060983|0.074151|0.115104|0.105691|0.130310|0.108993|0.127735|0.144524|0.500000| |2.011303|2.026090|2.117199|2.203167|2.182000|2.083196|2.231215|2.636418|0.075123|2.513674|2.409753|2.216549|2.127777|2.199335|2.385853|4.197350|3.907768|7.542309|4.594957|9.329686|0.204397|5.762488|7.075589|12.193568|17.439828|8.859925|6.498760|6.277407|4.359297|3.565947|3.599129|4.481290|5.272099|5.818060|6.945030|0.052983|0.053588|0.057507|0.060698|0.056091|0.056901|0.059316|0.067385|0.058493|0.054844|0.057731|0.066101|0.080175|0.122959|0.109972|0.133469|0.129973|0.144045|0.211386|0.301696|0.500000| |2.199064|2.308636|2.476610|2.520923|2.377255|2.228023|2.600767|3.103652|0.083682|2.971507|2.691516|2.463637|2.450009|2.657861|2.947514|5.316735|5.014066|8.531945|7.089114|12.384698|0.223956|5.602276|4.973288|7.716842|8.795288|17.616460|4.173963|3.704519|2.956877|2.662198|2.817582|3.438823|4.602107|5.373588|6.257329|0.056988|0.061555|0.069249|0.064543|0.058139|0.064442|0.071120|0.072224|0.062858|0.062323|0.070726|0.084761|0.104554|0.229243|0.157332|0.142283|0.126890|0.109161|0.130669|0.211440|0.216015|0.500000| |2.407006|2.523974|2.621957|2.586498|2.459018|2.377841|2.546359|2.915854|0.079016|2.660550|2.385553|2.154444|2.128429|2.318026|2.610906|5.054254|4.577340|7.392794|7.027385|12.398556|0.180464|6.932275|5.800091|9.684318|8.842526|17.631593|4.919722|3.922669|3.135503|2.944758|3.299986|4.252586|6.155896|7.091793|8.580917|0.063181|0.068254|0.072714|0.065295|0.061955|0.062553|0.069479|0.064930|0.055188|0.054179|0.061893|0.076554|0.104167|0.195478|0.188606|0.206597|0.142416|0.129975|0.133611|0.216896|0.173578|0.299271|0.500000| |1.753732|1.727460|1.758765|1.821233|1.850883|1.814841|1.808687|2.057190|0.059512|1.958793|1.922522|1.792518|1.710020|1.735777|1.852013|3.125195|2.726633|5.236028|3.013363|5.350197|0.112593|4.056950|5.665880|9.661381|6.775829|4.424740|8.939639|17.727959|8.934630|5.648623|4.957135|5.677387|5.626370|6.153526|6.869021|0.047215|0.046031|0.047338|0.051795|0.050046|0.047077|0.047924|0.054712|0.048359|0.044775|0.045846|0.051073|0.060572|0.079592|0.077714|0.100931|0.098084|0.139643|0.171345|0.180863|0.214541|0.109936|0.107966|0.500000| |1.495919|1.465035|1.469839|1.506015|1.538955|1.533611|1.483332|1.639249|0.047225|1.568564|1.548529|1.463012|1.404638|1.419727|1.496833|2.434894|2.036196|3.824559|2.209201|3.626293|0.074524|2.808874|3.568777|5.653191|3.813816|2.926148|5.634086|8.935844|17.733318|8.924560|5.658801|4.989511|4.914582|5.751169|5.682207|0.040905|0.039466|0.039631|0.042970|0.042720|0.039052|0.039554|0.044072|0.039833|0.037216|0.037863|0.041397|0.047925|0.059050|0.058900|0.074076|0.070769|0.098370|0.101669|0.110530|0.109093|0.075015|0.076740|0.216406|0.500000| |1.475316|1.440147|1.418924|1.430301|1.464451|1.487826|1.384739|1.497909|0.042891|1.415459|1.381492|1.299913|1.254950|1.280318|1.357462|2.229149|1.826979|3.341602|2.003645|3.192934|0.063432|2.551321|3.116136|4.895636|3.127723|2.555254|4.913951|5.637500|8.905702|17.746319|8.935880|5.669141|5.699243|7.091417|6.171649|0.040949|0.039247|0.038234|0.040402|0.041562|0.036392|0.037083|0.039222|0.035226|0.033227|0.034327|0.037950|0.044627|0.053362|0.055125|0.070584|0.064451|0.090841|0.083168|0.091358|0.083310|0.064644|0.070523|0.124191|0.214462|0.500000| 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