Version2.3 2021-03-30T17:16:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 17-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCOCCOC(=O)C1=C(NC2=C([C@H]1c3ccc(cc3)[N+](=O)[O-])C(=O)CC(C2)(C)C)C C02775766 RHF 6-31G(d) (6D,7F) CCCOCCOC(=O)C1=C(NC2=C([C@H]1c3ccc(cc3)[N+](=O)[O-])C(=O)CC(C2)(C)C)C C01[X(C24H30N2O6)] 180 C1 540 CCCOCCOC(=O)C1=C(C)NC2=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C CCCOCCOC(=O)C1=C(C)NC2=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C CCCOCCOC(=O)C1=C(C)NC2=C([C@H]1c3ccc(cc3)[N+]([O-])=O)C(=O)CC(C)(C)C2 InChIKey=YAMIDXQFLFQBPD-NRFANRHFSA-N InChI=1S/C24H30N2O6/c1-5-10-31-11-12-32-23(28)20-15(2)25-18-13-24(3,4)14-19(27)22(18)21(20)16-6-8-17(9-7-16)26(29)30/h6-9,21,25H,5,10-14H2,1-4H3/t21-/m0/s1 InChI=1/C24H30N2O6/c1-5-10-31-11-12-32-23(28)20-15(2)25-18-13-24(3,4)14-19(27)22(18)21(20)16-6-8-17(9-7-16)26(29)30/h6-9,21,25H,5,10-14H2,1-4H3/t21-/m0/s1 CCCOCCOC(=O)C1=C(NC2=C([C@H]1c3ccc(cc3)[N+](=O)[O-])C(=O)CC(C2)(C)C)C C01[X(C24H30N2O6)] 180 C01 540 CCCOCCOC(=O)C1=C(C)NC2=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C CCCOCCOC(=O)C1=C(C)NC2=C([C@H]1[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O])C(=O)CC(C2)(C)C CCCOCCOC(=O)C1=C(C)NC2=C([C@H]1[C]3[CH][CH][C]([CH][CH]3)N([O])[O])C(=O)CC(C)(C)C2 InChIKey=YAMIDXQFLFQBPD-NRFANRHFSA-N InChI=1S/C24H30N2O6/c1-5-10-31-11-12-32-23(28)20-15(2)25-18-13-24(3,4)14-19(27)22(18)21(20)16-6-8-17(9-7-16)26(29)30/h6-9,21,25H,5,10-14H2,1-4H3/t21-/m0/s1 InChI=1/C24H30N2O6/c1-5-10-31-11-12-32-23(28)20-15(2)25-18-13-24(3,4)14-19(27)22(18)21(20)16-6-8-17(9-7-16)26(29)30/h6-9,21,25H,5,10-14H2,1-4H3/t21-/m0/s1 3285.0268653827 -1484.2848624 1-A 18682.8841 118 422 540 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.60726 -20.58538 -20.58465 -20.57202 -20.54276 -20.53880 -15.83983 -15.62033 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0.3414 0.8571 0.8265 0.7356 0.8561 0.8299 0.8528 0.8517 0.4921 0.8569 0.8383 0.8570 0.3958 0.8417 0.6339 0.8538 0.8540 0.7194 0.8545 0.3914 0.8387 0.8555 0.8567 0.4449 0.8562 0.8194 0.6267 0.8434 0.8530 0.1650 0.8250 0.2796 0.1876 0.2589 0.4181 0.8331 0.6111 0.0999 0.0395 0.1007 0.0113 0.2670 0.7870 0.7462 0.8571 0.8552 0.8555 0.8538 0.8396 0.8498 0.1215 0.7360 0.6793 0.8477 0.3426 0.8477 0.5310 0.5910 0.6291 0.3885 0.3764 0.2764 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 61 62 6 6 6 8 6 6 8 6 8 6 6 7 6 6 6 1 6 6 6 6 6 6 7 8 8 6 8 6 6 6 6 6 6 1 1 1 1 1 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 15.99491 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 12352.8928 22715.5974 30909.3280 0.99952 -0.03052 0.00471 0.03043 0.99935 0.01942 -0.00530 -0.01927 0.99980 1 0.00701 0.00381 0.00280 0.14610 0.07945 0.05839 14.34 29.17 34.26 39.04 46.18 67.03 77.00 88.15 92.67 106.07 122.85 131.15 158.93 164.58 174.89 194.50 212.56 235.69 249.03 278.24 299.70 308.77 349.34 360.80 367.11 404.22 430.99 436.66 453.12 468.24 473.65 488.21 510.60 523.50 558.72 576.14 606.02 624.12 654.01 655.82 658.29 699.64 707.28 741.86 784.21 801.53 831.14 838.38 862.65 908.08 926.95 958.91 992.46 1015.43 1044.39 1082.24 1120.05 1147.45 1183.99 1214.10 1247.62 1256.92 1264.00 1326.89 1337.51 1361.58 1387.73 1393.36 1406.71 1410.30 1422.28 1429.61 1435.07 1451.62 1481.22 1489.64 1550.94 1583.60 1587.27 1594.49 1602.37 1603.50 1603.98 1639.94 1651.69 1689.93 1700.85 1718.29 1733.64 1770.58 1782.18 1786.83 1811.58 1819.59 1830.81 1851.15 1864.20 1871.55 1880.18 1882.82 1889.43 1902.33 1958.04 1965.74 1995.76 2011.38 2026.61 2044.06 2056.50 2069.02 2080.41 2081.84 2112.53 2116.53 2131.15 2149.43 2163.72 2226.55 2234.56 2245.84 2254.62 2262.01 2271.73 2272.51 2284.57 2316.87 2332.40 2334.08 2338.29 2352.56 2354.29 2356.95 2362.50 2366.96 2368.23 2376.56 2379.62 2380.97 2387.76 2390.35 2391.79 2411.48 2423.71 2546.30 2592.21 2654.45 2675.43 2704.53 2821.62 2833.58 4547.65 4576.87 4582.89 4589.39 4591.94 4601.70 4605.03 4605.73 4616.73 4627.20 4628.64 4635.35 4665.88 4672.68 4687.31 4696.78 4702.68 4702.85 4704.51 4706.80 4714.95 4728.76 4735.98 4784.04 4864.22 4900.44 4911.74 4942.05 4945.64 5580.15 0.554534 0.584721 0.585665 0.488687 -1483.730328 -1483.700142 -1483.699197 -1483.796175 3.252658D-04 MUNgauss RevisionA2.1 retrievium 30-Mar-2021 DUDE CCCOCCOC(=O)C1=C(NC2=C([C@H]1c3ccc(cc3)[N+](=O)[O-])C(=O)CC(C2)(C)C)C C02775766 RHF 6-31G(d) (6D,10F) C1 442.210387 |X|Y|Z| 108.077004 75.452872 36.180605 66.572515 16 6 7 15 1 |36.858105| |12.466390|36.858105| |7.524200|12.544302|36.858105| |5.090249|8.025020|13.618147|73.516695| |3.905721|5.202376|8.107616|24.309804|36.858105| |3.120839|4.031643|5.208550|14.316186|12.630355|36.858105| |2.997764|3.858587|4.660761|12.080305|8.061856|13.426448|73.516695| |2.530112|3.140411|3.563118|8.431472|5.283311|8.128277|25.561357|36.858105| |2.294922|2.795457|3.153609|7.266388|4.648301|7.260623|15.363408|15.969443|73.516695| |2.362803|2.866574|3.109253|6.895241|4.032412|5.166203|14.243900|12.827980|14.407048|36.858105| |2.536204|3.079542|3.238597|6.981298|3.840864|4.466148|11.814391|7.595286|9.523764|14.227259|36.858105| |2.244614|2.628106|2.689283|5.508527|3.015768|3.371609|7.978917|5.064323|7.226476|8.089092|13.697511|53.358707| |1.947970|2.243854|2.297041|4.667601|2.603660|2.957447|6.676415|4.460225|6.862658|6.804794|7.856264|18.850199|36.858105| |1.855366|2.143338|2.232304|4.601333|2.635520|3.102982|6.944722|4.989782|8.065208|7.605506|6.784321|11.031559|14.268018|36.858105| |1.987138|2.334612|2.503301|5.326219|3.157465|3.939674|9.200705|7.582289|12.166928|12.475847|7.604376|9.185018|7.656553|12.578741|36.858105| |1.920418|2.257231|2.412634|5.157048|3.061905|3.907005|8.610559|7.261301|13.837688|8.961058|5.857441|7.048037|5.871017|8.999932|17.640076|0.500000| |1.855781|2.142438|2.344147|4.892812|3.012438|3.687616|8.182990|6.075345|10.338128|7.545767|5.469894|6.870316|5.509552|7.568550|12.441604|0.250410|36.858105| |1.703458|1.947470|2.137588|4.423743|2.763087|3.390193|6.954259|4.990010|9.616285|5.266356|4.013402|5.072003|4.078302|5.385918|7.513213|0.207211|13.712551|36.858105| |1.591110|1.791690|1.977065|4.007503|2.527398|2.990826|5.897566|3.908096|7.377168|3.992946|3.273133|4.213339|3.312315|4.044845|4.993699|0.134489|7.897079|13.775350|36.858105| |1.600752|1.788034|1.979301|3.955329|2.493579|2.854639|5.686029|3.596295|6.402834|3.768807|3.239123|4.236074|3.255236|3.772255|4.435675|0.112115|6.893249|8.004356|13.784132|36.858105| |1.722382|1.931425|2.135662|4.269019|2.665693|3.015354|6.273856|3.922799|6.567669|4.359889|3.852679|5.102064|3.837799|4.305462|4.987043|0.116871|7.885923|6.862328|7.885690|13.765316|36.858105| |1.866036|2.129166|2.340514|4.780378|2.945650|3.426489|7.591065|5.021217|8.012546|6.197584|5.244787|6.879587|5.190794|6.042264|7.488937|0.156029|13.671947|7.954787|6.873265|8.014422|13.801338|36.858105| |1.475019|1.623151|1.794224|3.515768|2.212399|2.458474|4.730557|2.879031|5.153539|2.947308|2.628061|3.470206|2.638523|2.948601|3.313103|0.086073|4.515561|5.133257|7.781393|13.091221|7.785488|5.139477|53.358707| |1.390058|1.524664|1.681066|3.286973|2.067646|2.302094|4.329180|2.638678|4.846101|2.645461|2.348413|3.090132|2.363589|2.657381|2.978229|0.079938|3.893121|4.675143|7.072057|8.377986|5.421943|4.097207|21.711146|73.516695| |1.463017|1.596285|1.761806|3.406667|2.130295|2.310525|4.451362|2.642242|4.622361|2.731920|2.511599|3.352783|2.512504|2.720645|2.978651|0.076248|3.894480|4.094451|5.420913|8.378360|7.085500|4.684015|21.686362|16.026642|73.516695| |1.632410|1.855404|1.919470|3.889253|2.232398|2.595136|5.488283|3.811836|6.623157|4.948515|4.467639|7.008169|7.834758|12.948475|7.425507|0.195883|5.906067|5.010140|3.896011|3.527628|3.782038|4.774032|3.857004|4.651780|4.601504|36.858105| |1.554043|1.762242|1.837880|3.730090|2.171473|2.552783|5.257742|3.682049|6.749908|4.435871|3.809904|5.539422|5.409965|8.158848|6.711502|0.202982|5.900328|5.699324|4.338388|3.697528|3.732078|4.502661|4.040196|4.985613|4.698330|15.885871|73.516695| |1.527010|1.711874|1.742049|3.460184|1.954020|2.205264|4.575373|3.021163|5.191335|3.785479|3.714759|6.146436|6.685637|7.448884|4.830656|0.127467|4.131263|3.633847|3.064074|2.890504|3.110836|3.710214|3.312572|4.021072|4.054433|12.547906|14.309196|36.858105| |1.562620|1.740079|1.760596|3.455472|1.934956|2.137389|4.474930|2.862762|4.757187|3.644606|3.835345|6.882158|7.477518|6.508188|4.310202|0.107077|3.803476|3.224851|2.809929|2.779075|3.114214|3.704047|3.224118|3.846558|4.051073|7.421127|9.317614|12.405454|36.858105| |1.776844|2.002434|2.011363|3.974487|2.190669|2.414004|5.199587|3.308325|5.285065|4.439552|5.095945|10.637991|12.640167|7.574928|4.871926|0.115971|4.000991|3.230398|2.763777|2.752959|3.172877|3.935093|3.160482|3.738255|3.993458|6.518704|8.217248|7.659253|12.380906|36.858105| |1.503120|1.660971|1.702568|3.318999|1.887550|2.070274|4.313242|2.724549|4.528969|3.408942|3.530969|6.109348|5.999331|5.569417|4.053053|0.098440|3.954707|3.361905|3.043510|3.127608|3.579435|4.121264|3.646118|4.273573|4.644991|6.074222|8.431176|7.545353|12.387531|7.532442|36.858105| |1.450903|1.594897|1.592727|3.079298|1.707126|1.854367|3.795627|2.368230|3.975343|2.881348|3.063636|5.248899|4.937187|4.354560|3.236160|0.083501|2.913252|2.573103|2.306791|2.288745|2.512105|2.863912|2.742273|3.318706|3.482181|4.897892|6.971454|7.588730|12.423275|7.606537|7.628550|36.858105| |3.115906|3.910651|4.025314|8.629603|4.376086|4.644655|11.839273|6.043673|7.868826|7.399203|12.631729|10.823400|5.158681|4.445349|4.811430|0.114705|3.943006|3.142538|2.700810|2.719067|3.176721|3.965167|3.126925|3.682562|3.977283|3.326150|5.218658|2.943400|3.097498|4.004612|2.887248|2.627758|36.858105| |17.563114|8.793462|5.485231|7.468858|3.299131|2.764458|4.805860|2.339915|3.793568|2.223158|2.404676|2.947265|1.889943|1.788905|1.888904|0.050843|1.751462|1.608479|1.499588|1.505166|1.617732|1.755531|1.889450|2.330258|2.447543|1.584117|2.673639|1.496169|1.534601|1.745683|1.466826|1.437743|2.935054|0.500000| |17.538048|8.763927|6.799734|8.306549|3.759773|2.992161|4.955303|2.369012|3.888188|2.182913|2.295613|2.772083|1.793370|1.728353|1.860769|0.050357|1.753918|1.629739|1.531980|1.536808|1.637187|1.757023|1.940596|2.402970|2.510682|1.534790|2.619339|1.433380|1.456790|1.637825|1.406466|1.354782|2.736071|0.302055|0.500000| |17.535611|8.761567|6.801252|8.299568|3.754875|2.987705|5.195166|2.462682|3.940917|2.329809|2.523641|3.065003|1.944432|1.840684|1.964000|0.052198|1.854408|1.694829|1.594046|1.620810|1.756244|1.891941|2.040984|2.500191|2.664128|1.616043|2.726377|1.515470|1.564384|1.779197|1.517854|1.452003|3.114905|0.301981|0.301549|0.500000| |8.824366|17.548915|8.948788|13.077418|4.876523|3.990762|6.630381|3.110192|5.025301|2.804436|2.958604|3.442411|2.192332|2.114563|2.305049|0.062899|2.092542|1.919795|1.755936|1.731097|1.850496|2.044221|2.136261|2.638998|2.724373|1.845588|3.133816|1.701799|1.710890|1.959248|1.618789|1.573015|3.639965|0.211820|0.210051|0.172501|0.500000| |8.826785|17.542039|8.944381|13.042130|4.863219|3.978825|7.234040|3.329598|5.139072|3.135578|3.498048|4.053626|2.485069|2.329332|2.508882|0.066571|2.268161|2.027691|1.850264|1.852699|2.026235|2.263940|2.271076|2.768038|2.921759|1.991063|3.320719|1.843283|1.891707|2.214173|1.794270|1.730179|4.705617|0.211961|0.172544|0.209972|0.303562|0.500000| |6.850804|8.834054|17.479077|16.548144|7.270933|4.762287|7.970961|3.430652|5.327339|3.069707|3.245655|3.704161|2.305714|2.222352|2.479838|0.065341|2.363780|2.139743|2.000033|2.035473|2.221723|2.415586|2.523154|3.063527|3.269765|1.904178|3.227054|1.733048|1.770775|2.024041|1.732154|1.599441|4.069549|0.140242|0.168182|0.202846|0.174086|0.212913|0.500000| |6.866150|8.840746|17.478428|16.555324|7.291571|4.771559|7.165720|3.185695|5.192337|2.751806|2.795668|3.215166|2.063163|2.030627|2.278863|0.061769|2.163591|2.011347|1.880014|1.874912|1.992919|2.150368|2.339256|2.888219|2.996382|1.773538|3.051139|1.612056|1.617947|1.821447|1.570849|1.471279|3.313170|0.140419|0.203318|0.168690|0.212835|0.174094|0.301448|0.500000| |3.759200|4.742811|7.252883|16.529531|17.508861|8.905465|13.147733|4.946595|7.542932|3.979600|3.868313|4.176320|2.624190|2.631638|3.134307|0.082328|3.082824|2.794707|2.600957|2.633301|2.864306|3.126979|3.194382|3.849975|4.069566|2.218057|3.813779|1.947170|1.952823|2.210777|1.933309|1.717778|4.433235|0.087926|0.099502|0.105227|0.117354|0.126934|0.218290|0.177479|0.500000| |3.759746|4.745605|7.231798|16.536028|17.485549|8.973949|10.264074|4.294664|7.189148|3.356166|3.169606|3.514137|2.284955|2.331745|2.759055|0.075635|2.675731|2.526818|2.352272|2.309778|2.416917|2.607270|2.841849|3.516147|3.572387|2.021367|3.536902|1.782255|1.755147|1.956313|1.717545|1.563458|3.505896|0.087984|0.105393|0.099307|0.127522|0.117151|0.175985|0.218316|0.300602|0.500000| |2.727779|3.356538|4.257561|10.251658|8.888860|17.615079|16.512893|7.206361|12.988844|4.712507|3.944044|4.203283|2.788689|2.992691|3.854837|0.107341|3.821974|3.656581|3.290397|3.111721|3.201857|3.538352|3.657991|4.505023|4.437586|2.549213|4.542427|2.150387|2.068366|2.288937|2.032398|1.791094|3.897162|0.067584|0.073856|0.073495|0.092026|0.091303|0.112390|0.113531|0.211315|0.218790|0.500000| |3.067263|3.989778|4.859427|13.092936|8.886806|17.634712|16.505455|7.282693|12.965919|4.770706|4.125832|4.331143|2.845436|3.004980|3.754356|0.107682|3.393251|3.182593|2.777771|2.597029|2.698484|3.066262|3.063112|3.798826|3.739904|2.556609|4.505082|2.181182|2.086165|2.346883|1.989694|1.824624|4.250027|0.076629|0.082348|0.079528|0.115634|0.108207|0.117366|0.126799|0.174087|0.211266|0.301165|0.500000| |2.299420|2.663208|2.662919|5.318506|2.841710|3.063401|7.005923|4.193702|6.119522|5.896663|9.322922|26.083537|9.362370|5.904854|4.993701|0.114002|4.023322|3.129125|2.687083|2.734689|3.260050|4.146925|3.135040|3.665879|4.014115|4.272067|6.136109|4.039579|4.749014|7.536781|4.198563|3.849259|7.779045|0.062219|0.057402|0.064456|0.070666|0.085170|0.075323|0.064627|0.080623|0.067965|0.077451|0.080726|0.500000| |1.668443|1.911690|2.083466|4.330584|2.683676|3.338653|6.666891|4.876604|10.170156|4.933544|3.740923|4.704611|3.822754|5.112244|7.001982|0.230978|8.931844|17.757431|8.954592|5.681503|4.949601|5.656237|5.670231|7.158775|6.048665|5.032870|10.982396|3.621027|3.090963|3.075463|3.105396|2.505393|2.967484|0.043925|0.044505|0.045723|0.052971|0.055041|0.057157|0.054780|0.073705|0.068873|0.099723|0.089934|0.081351|0.500000| |1.493471|1.670519|1.838782|3.698675|2.330826|2.735074|5.211665|3.389316|6.573813|3.361870|2.806779|3.623285|2.844395|3.415088|4.073091|0.114809|5.624226|8.891671|17.786340|8.939458|5.634618|4.957627|9.775684|14.132391|8.823726|3.409964|6.907952|2.760390|2.507921|2.438760|2.688495|2.108015|2.376441|0.039171|0.040209|0.041443|0.045730|0.047550|0.051415|0.049081|0.066047|0.061308|0.084237|0.071656|0.065273|0.214660|0.500000| |1.699376|1.883838|2.079403|4.080367|2.530544|2.768567|5.687010|3.406267|5.624461|3.761598|3.509308|4.733773|3.477817|3.697717|4.066070|0.096460|5.616294|4.951931|5.635446|8.933645|17.786057|8.891786|9.788167|8.833266|14.183487|3.276530|5.645673|2.820525|2.916291|2.980769|3.415599|2.402777|3.013247|0.044332|0.044836|0.048571|0.049726|0.054927|0.060857|0.053921|0.076699|0.063990|0.080922|0.068620|0.086591|0.107560|0.124334|0.500000| |1.973730|2.254814|2.458490|4.989050|3.007527|3.405736|7.776138|4.933712|7.430704|6.556296|6.236294|8.550398|6.010179|6.221686|6.954606|0.140751|8.894976|5.650730|4.953018|5.687873|8.981698|17.728307|5.679511|6.054638|7.179142|4.617115|7.293282|3.749751|3.964521|4.453632|4.411633|3.043421|4.635390|0.051652|0.051090|0.055961|0.059531|0.067595|0.071206|0.061851|0.089701|0.072856|0.094518|0.084234|0.141598|0.124221|0.107618|0.215236|0.500000| |1.410107|1.567875|1.600285|3.156153|1.794965|2.015890|4.103931|2.680734|4.693429|3.229961|3.120886|4.963352|4.949249|5.589292|4.087401|0.110674|3.740748|3.460847|3.008169|2.827466|2.964634|3.394262|3.298186|4.050387|4.025499|9.000234|13.500695|17.583277|8.739596|5.523443|6.965943|6.764565|2.544202|0.038377|0.036982|0.038916|0.043330|0.046515|0.044280|0.041462|0.049773|0.045918|0.055220|0.055408|0.092206|0.096444|0.076662|0.075016|0.092993|0.500000| |1.533013|1.720773|1.732461|3.440497|1.920393|2.164454|4.452041|2.926829|5.062900|3.597483|3.563643|5.778509|5.937144|6.320801|4.382488|0.120613|3.614086|3.235359|2.729751|2.552802|2.716855|3.212804|2.963764|3.637960|3.632897|9.055718|11.989840|17.488312|8.819686|6.878846|5.498834|7.119150|2.886714|0.041963|0.039957|0.042001|0.047898|0.051519|0.047487|0.044557|0.052612|0.048777|0.058110|0.060313|0.107887|0.091931|0.069367|0.068871|0.090575|0.303249|0.500000| |1.796801|2.026151|2.001922|3.945688|2.139230|2.346740|4.993789|3.149834|5.071985|4.096990|4.735783|9.188263|9.014491|6.195897|4.313646|0.107753|3.466562|2.886836|2.474427|2.431247|2.738416|3.326720|2.829616|3.391872|3.569071|5.590251|7.420780|6.719771|8.796654|17.493651|5.506931|7.262955|3.906580|0.049469|0.045903|0.049619|0.055547|0.062490|0.055420|0.050342|0.059249|0.053235|0.061183|0.064361|0.193433|0.078230|0.061623|0.071613|0.102347|0.138102|0.197273|0.500000| |1.799753|2.009595|2.012372|3.920584|2.152041|2.322229|4.985604|3.068019|4.842463|4.024645|4.815224|10.104195|8.962664|5.760332|4.178566|0.098889|3.627882|2.940532|2.587668|2.648619|3.108242|3.772340|3.085996|3.622430|3.971130|4.919040|6.691732|5.546707|8.794542|17.515124|7.120336|6.720964|4.012945|0.049169|0.045873|0.050534|0.054025|0.062074|0.056899|0.050443|0.061069|0.053333|0.061084|0.062044|0.227026|0.076573|0.063490|0.083480|0.122826|0.123348|0.139497|0.303508|0.500000| |1.388107|1.524249|1.563521|3.033988|1.733100|1.898362|3.882980|2.445669|4.149223|2.958189|2.988647|4.915125|4.613582|4.586201|3.534992|0.088971|3.545632|3.169094|2.938406|2.995883|3.302423|3.634449|3.572227|4.248633|4.537213|5.404102|8.113851|6.884517|8.783764|5.482307|17.553543|6.959580|2.496338|0.037670|0.036292|0.038881|0.041423|0.045374|0.044086|0.040392|0.049176|0.044228|0.052204|0.050938|0.094377|0.082355|0.073525|0.087714|0.103735|0.208825|0.142151|0.123223|0.143179|0.500000| |1.505658|1.651178|1.685133|3.249117|1.837149|1.982087|4.116970|2.538680|4.172428|3.139244|3.360093|5.854613|5.275264|4.588205|3.534455|0.085703|3.475670|2.957939|2.736409|2.880751|3.347172|3.767960|3.431612|4.003478|4.472041|4.629781|6.696567|5.483079|8.763089|6.834306|17.537163|6.984792|2.843444|0.040897|0.039019|0.042497|0.044417|0.049723|0.047963|0.043098|0.052647|0.046429|0.053829|0.052655|0.117188|0.075559|0.067508|0.091912|0.115860|0.141389|0.123043|0.143074|0.212331|0.301880|0.500000| |1.563062|1.738011|1.804457|3.547204|2.043516|2.264013|4.773454|3.053125|5.048554|3.886812|3.925237|6.684669|6.579128|6.531576|4.802821|0.112265|4.938343|4.040992|3.631899|3.792619|4.492154|5.327029|4.272462|4.901108|5.402741|6.700911|9.351951|6.808882|8.685995|6.813539|17.577397|5.499702|3.110990|0.042060|0.040663|0.043908|0.046897|0.052046|0.051164|0.046190|0.058497|0.051405|0.062199|0.059809|0.121788|0.100116|0.086603|0.116689|0.157750|0.172401|0.138431|0.137923|0.177650|0.302199|0.301628|0.500000| |1.465096|1.612977|1.596125|3.087522|1.696230|1.843017|3.754153|2.341065|3.945614|2.822068|3.008381|5.072428|4.664835|4.128303|3.116441|0.082097|2.731621|2.431874|2.162585|2.118544|2.301917|2.632387|2.542740|3.102160|3.214302|4.607012|6.663471|6.920540|8.740839|6.908802|5.506002|17.542409|2.612580|0.040539|0.037974|0.040497|0.044484|0.048672|0.044208|0.040957|0.047013|0.043210|0.049128|0.050880|0.104366|0.066852|0.055292|0.060870|0.077331|0.166920|0.214622|0.217865|0.163670|0.141569|0.141552|0.122268|0.500000| |1.454915|1.588208|1.579827|3.025900|1.670379|1.790941|3.661500|2.243928|3.728509|2.714108|2.953135|5.092062|4.514311|3.834346|2.952379|0.075295|2.701348|2.374374|2.160087|2.181682|2.422170|2.731978|2.641365|3.180525|3.399288|4.037641|5.885013|5.495952|8.760126|6.913959|6.937467|17.533607|2.598346|0.040136|0.037628|0.040669|0.043249|0.048025|0.044341|0.040458|0.046983|0.042475|0.047932|0.048677|0.107610|0.063527|0.054802|0.065525|0.082109|0.138827|0.143510|0.181931|0.199403|0.171132|0.209438|0.141138|0.301229|0.500000| |1.345842|1.471537|1.475625|2.844002|1.587905|1.724638|3.485713|2.173088|3.701861|2.586965|2.683876|4.424917|4.064509|3.819166|2.943575|0.077224|2.727985|2.474703|2.252490|2.228665|2.403290|2.676128|2.702911|3.297949|3.427497|4.502824|6.755485|6.878833|8.779027|5.506531|6.973525|17.551378|2.319905|0.037012|0.035109|0.037411|0.040390|0.043987|0.041157|0.038127|0.044389|0.040694|0.046677|0.047198|0.088935|0.067255|0.057809|0.063934|0.077339|0.200484|0.175668|0.144910|0.138884|0.209757|0.173220|0.141393|0.301616|0.301790|0.500000| |3.118970|3.781219|3.949855|7.994847|4.157644|4.175712|10.085946|4.997473|6.769281|5.932804|8.947105|9.551671|4.678051|3.988798|4.232689|0.099854|3.730111|2.982160|2.637407|2.734949|3.266548|3.989268|3.180889|3.706226|4.118677|3.056041|4.809640|2.752806|2.974398|3.790274|2.866670|2.542891|17.526134|0.081022|0.075750|0.089437|0.094499|0.125930|0.116950|0.090320|0.123889|0.093462|0.100548|0.103136|0.203847|0.076704|0.064317|0.088567|0.134184|0.066947|0.073812|0.100137|0.110343|0.068731|0.080205|0.086147|0.069157|0.071111|0.062625|0.500000| 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