Version2.0 2019-11-13T15:40:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCOc1ccc(cc1OCC)[C@H]2c3c(=O)c4cc(ccc4oc3C(=O)N2CC[NH+](CC)CC)Cl C35486503 RHF 6-31G(d) (6D,7F) CCCOc1ccc(cc1OCC)[C@H]2c3c(=O)c4cc(ccc4oc3C(=O)N2CC[NH+](CC)CC)Cl C01[X(C28H34Cl1N2O5)] 204 C1 612 CCCOc1ccc(cc1OCC)[C@@H]1N(CC[NH+](CC)CC)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl CCCOc1ccc(cc1OCC)[C@@H]1N(CC[NH](CC)CC)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl CCCOc1ccc(cc1OCC)[C@@H]2N(CC[NH](CC)CC)C(=O)C3=C2C(=O)c4cc(Cl)ccc4O3 InChIKey=PFKXRBAVKJOQEV-VWLOTQADSA-N InChI=1S/C28H34ClN2O5/c1-5-15-35-22-11-9-18(16-23(22)34-8-4)25-24-26(32)20-17-19(29)10-12-21(20)36-27(24)28(33)31(25)14-13-30(6-2)7-3/h9-12,16-17,25,30H,5-8,13-15H2,1-4H3/t25-/m0/s1 InChI=1/C28H34ClN2O5/c1-5-15-35-22-11-9-18(16-23(22)34-8-4)25-24-26(32)20-17-19(29)10-12-21(20)36-27(24)28(33)31(25)14-13-30(6-2)7-3/h9-12,16-17,25,30H,5-8,13-15H2,1-4H3/t25-/m0/s1 CCCOc1ccc(cc1OCC)[C@H]2c3c(=O)c4cc(ccc4oc3C(=O)N2CC[NH+](CC)CC)Cl C01[X(C28H34Cl1N2O5)] 204 C01 612 CCCOc1ccc(cc1OCC)[C@@H]1N(CC[NH+](CC)CC)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl CCCOc1ccc(cc1OCC)[C@@H]1N(CC[NH](CC)CC)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl CCCOc1ccc(cc1OCC)[C@@H]2N(CC[NH](CC)CC)C(=O)C3=C2C(=O)c4cc(Cl)ccc4O3 InChIKey=PFKXRBAVKJOQEV-VWLOTQADSA-N InChI=1S/C28H34ClN2O5/c1-5-15-35-22-11-9-18(16-23(22)34-8-4)25-24-26(32)20-17-19(29)10-12-21(20)36-27(24)28(33)31(25)14-13-30(6-2)7-3/h9-12,16-17,25,30H,5-8,13-15H2,1-4H3/t25-/m0/s1 InChI=1/C28H34ClN2O5/c1-5-15-35-22-11-9-18(16-23(22)34-8-4)25-24-26(32)20-17-19(29)10-12-21(20)36-27(24)28(33)31(25)14-13-30(6-2)7-3/h9-12,16-17,25,30H,5-8,13-15H2,1-4H3/t25-/m0/s1 4047.7134050939 -2022.6048119 1-A 25049.3188 136 476 612 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 19095.9430 29693.4019 41642.4282 0.99989 0.01368 -0.00508 -0.01370 0.99990 -0.00332 0.00503 0.00339 0.99998 1 0.00454 0.00292 0.00208 0.09451 0.06078 0.04334 11.89 21.31 30.17 30.87 34.91 53.95 65.56 83.61 96.65 107.11 117.10 124.62 137.79 142.62 154.24 162.40 188.76 192.40 212.05 220.08 242.28 251.18 266.98 291.43 310.46 323.17 343.64 357.91 364.03 366.47 397.70 398.54 430.12 445.02 457.35 488.96 497.48 513.72 537.21 550.24 563.54 570.58 618.33 633.12 649.90 675.97 692.20 697.96 739.28 754.19 791.22 834.80 852.46 875.38 893.12 924.52 935.49 973.99 1008.08 1037.87 1052.37 1108.01 1139.24 1162.06 1190.56 1193.07 1223.79 1225.06 1232.04 1244.03 1260.18 1270.34 1290.31 1300.02 1332.79 1341.94 1346.23 1360.88 1384.91 1417.50 1419.77 1421.76 1423.75 1446.07 1510.19 1512.90 1519.24 1534.34 1553.23 1571.35 1589.22 1596.77 1603.13 1607.84 1660.30 1664.56 1683.21 1691.49 1717.55 1731.78 1757.22 1771.69 1774.33 1789.73 1801.00 1808.48 1834.64 1859.02 1869.69 1873.24 1874.95 1884.32 1903.65 1919.01 1948.95 1966.12 2005.69 2010.08 2022.16 2027.08 2029.53 2035.61 2061.65 2071.45 2087.87 2088.55 2099.69 2116.99 2136.39 2150.23 2158.50 2195.30 2217.93 2225.34 2231.08 2254.91 2257.43 2264.19 2274.19 2277.66 2280.74 2282.47 2285.83 2301.84 2305.98 2342.06 2348.55 2351.46 2353.89 2356.09 2356.38 2359.91 2361.59 2364.72 2366.84 2369.37 2380.46 2384.21 2389.15 2400.40 2407.64 2414.74 2460.22 2538.60 2567.89 2591.68 2605.19 2696.79 2841.46 2854.38 4592.70 4602.43 4609.04 4631.54 4634.91 4635.28 4641.45 4654.01 4655.27 4661.22 4670.58 4675.93 4717.00 4721.32 4721.56 4722.66 4733.07 4733.25 4737.36 4740.96 4753.42 4759.92 4760.57 4769.52 4815.37 4826.57 4831.80 4859.96 4890.16 4894.30 4905.62 4914.92 4924.42 5309.70 0.629945 0.663920 0.664864 0.558598 -2021.974867 -2021.940892 -2021.939948 -2022.046213 3.564146D-04 MUNgauss RevisionA1.9 retrievium 13-Nov-2019 DUDE CCCOc1ccc(cc1OCC)[C@H]2c3c(=O)c4cc(ccc4oc3C(=O)N2CC[NH+](CC)CC)Cl C35486503 RHF 6-31G(d) (6D,10F) C1 513.215595 |X|Y|Z| 93.936386 118.222075 47.418801 80.753434 19 6 7 8 17 1 1 |36.858105| |12.466198|36.858105| |7.542366|12.551097|36.858105| |5.098024|8.055560|13.516522|73.516695| |3.892988|5.235439|7.987261|25.329154|36.858105| |3.594006|4.392564|6.680294|14.049154|13.804450|36.858105| |2.850086|3.331002|4.490139|9.237321|7.897757|13.668085|36.858105| |2.518833|2.971351|3.775054|8.197530|6.811436|7.926936|13.845439|36.858105| |2.617542|3.201069|3.978270|9.423160|7.907784|6.903575|7.969321|13.629198|36.858105| |3.145834|4.085737|5.231943|14.541371|13.498394|7.915745|6.849437|7.872361|13.812743|36.858105| |3.123768|4.146606|4.791751|13.143350|8.177004|5.300871|4.626830|5.187069|7.909827|14.234500|73.516695| |2.578107|3.242931|3.556292|8.527158|5.234458|3.981308|3.787559|4.487159|6.680139|7.982618|24.016737|36.858105| |2.539406|3.174700|3.249153|7.395112|4.095584|3.207656|2.982349|3.331913|4.397468|5.243501|14.355953|12.579501|36.858105| |2.104465|2.403182|2.910730|5.994840|4.414124|5.001046|7.533459|12.539371|7.565351|5.014781|6.874471|3.669577|2.841051|36.858105| |1.979000|2.268835|2.681035|5.592418|3.997439|4.199198|5.605584|8.929238|7.435817|4.834639|6.975982|3.950464|3.015470|17.563249|0.500000| |1.977616|2.207003|2.642180|5.223080|3.682928|4.270455|6.068808|7.423332|5.205242|3.938442|5.650492|3.044048|2.459105|12.635180|0.248575|36.858105| |1.947596|2.163418|2.552752|5.001148|3.430388|3.836209|4.942603|5.697726|4.579306|3.663996|5.428989|2.974538|2.440907|7.110276|0.176260|12.988975|36.858105| |2.019902|2.273107|2.663552|5.316878|3.634032|3.866099|4.716660|5.614926|4.981732|4.016686|6.036824|3.370692|2.735171|6.188292|0.167680|8.096271|15.938314|73.516695| |1.779519|1.930714|2.240373|4.247841|2.805724|3.154826|3.864410|4.086905|3.401996|2.890681|4.420390|2.421760|2.060812|4.877175|0.122994|7.809396|12.841463|14.262389|36.858105| |1.703186|1.831284|2.086851|3.912303|2.514333|2.754283|3.192534|3.320632|2.923131|2.578418|4.053809|2.241990|1.949781|3.706049|0.097317|5.084991|7.632430|11.804221|13.625740|36.858105| |1.563350|1.655567|1.863086|3.435954|2.166009|2.370356|2.689542|2.735916|2.433567|2.191350|3.494747|1.931255|1.710977|3.023499|0.079642|3.941438|5.076118|7.994527|7.949057|13.901512|36.858105| |1.496300|1.574049|1.773303|3.248611|2.046896|2.268576|2.594335|2.607559|2.284329|2.053758|3.264327|1.793717|1.591635|2.930731|0.076271|3.815657|4.469802|6.726170|6.856289|7.927358|13.647452|36.858105| |1.544683|1.632749|1.860458|3.424695|2.188714|2.468894|2.905998|2.920214|2.483363|2.194832|3.437988|1.877324|1.646959|3.398904|0.086504|4.609470|5.035630|7.069605|7.869152|6.839646|7.932598|13.862641|36.858105| |1.681998|1.804105|2.088124|3.906140|2.558484|2.923531|3.592446|3.687578|3.023500|2.593057|3.977331|2.164715|1.860754|4.505592|0.111391|6.935637|7.612212|9.388017|13.710894|7.937438|6.921894|7.998645|13.723095|36.858105| |1.704160|1.834230|2.140384|4.022980|2.666489|3.099684|3.942869|4.053255|3.202292|2.700037|4.089383|2.209118|1.883656|5.257353|0.124686|8.026816|6.597608|8.296786|7.898269|5.193202|4.628594|5.289876|8.140036|13.959324|73.516695| |1.838878|2.013701|2.386402|4.589214|3.138494|3.691116|5.029642|5.462054|4.028451|3.237418|4.769084|2.561714|2.130644|8.162734|0.175372|14.374911|7.849692|9.604561|7.058615|4.651604|3.899090|4.083246|5.388841|8.338288|25.669979|36.858105| |1.832834|2.010959|2.383164|4.601033|3.144524|3.695267|5.016363|5.438362|4.026617|3.241372|4.777219|2.549207|2.121122|8.025591|0.173411|8.245237|5.134517|7.266980|4.552572|3.412619|2.996198|3.157145|3.967959|5.169090|13.762999|12.784793|36.858105| |1.715170|1.856569|2.170739|4.116797|2.735082|3.178367|4.048034|4.175510|3.295355|2.772243|4.189620|2.239641|1.904736|5.404995|0.127790|5.489743|3.958172|5.819925|3.751021|2.951036|2.696774|2.918161|3.663763|4.414744|11.431338|7.822840|15.904751|73.516695| |1.977955|2.218323|2.659614|5.312328|3.757114|4.352018|6.192993|7.651737|5.347577|4.025743|5.757003|3.055017|2.463621|12.962997|0.252750|8.332095|5.104422|7.703679|4.108056|3.176464|2.727786|2.761903|3.293072|4.216810|9.653847|8.464103|14.055463|14.884002|53.358707| |1.953918|2.195983|2.600028|5.213843|3.597933|4.001961|5.147777|6.032705|4.874644|3.867325|5.697575|3.024131|2.467862|7.387680|0.183175|5.159255|3.729753|5.994613|3.139095|2.566418|2.263659|2.296065|2.667498|3.220436|7.023374|5.244438|7.869222|12.106464|18.080874|36.858105| |2.100158|2.337633|2.799104|5.462803|3.706356|4.284070|5.231090|5.229345|4.273440|3.701684|5.452490|2.780312|2.324587|5.353509|0.127856|4.176684|3.194472|5.180212|2.784802|2.325515|2.087342|2.132940|2.460849|2.890275|6.215269|4.354375|6.114019|10.623720|10.565113|12.396716|36.858105| |1.912226|2.097951|2.429939|4.662997|3.007279|3.311085|3.739245|3.759166|3.333306|3.014570|4.677443|2.433962|2.099542|3.863248|0.098806|3.200814|2.579601|4.248588|2.317094|1.985524|1.817025|1.868056|2.128969|2.421548|5.101771|3.373114|4.483718|8.502025|6.953416|7.586663|12.645640|53.358707| |1.840584|2.034776|2.328096|4.538519|2.913046|3.101524|3.473695|3.646091|3.354051|3.011878|4.757669|2.522366|2.175774|3.786812|0.100727|3.080801|2.505610|4.177833|2.232453|1.924176|1.756080|1.793213|2.028222|2.306401|4.800573|3.179789|4.140911|7.648047|6.630363|7.571906|9.280995|25.709522|0.500000| |1.701010|1.832588|2.094585|3.942543|2.507229|2.778022|3.155301|3.157290|2.775632|2.505701|3.938214|2.083900|1.823644|3.402553|0.087470|3.000928|2.439088|3.953417|2.261842|1.940572|1.805385|1.890951|2.177225|2.432886|5.206571|3.319799|4.466692|9.429093|6.178824|5.944189|7.654590|17.096431|0.257684|36.858105| |1.533833|1.645134|1.840830|3.463357|2.158054|2.320706|2.568779|2.618309|2.391471|2.185835|3.529590|1.901719|1.692490|2.814510|0.075070|2.513763|2.106597|3.465278|1.970633|1.721708|1.615853|1.688728|1.916241|2.103992|4.390264|2.732391|3.473985|7.120131|4.819657|4.478763|5.024925|10.290684|0.209368|12.532638|36.858105| |2.027790|2.205223|2.531709|4.757718|2.967636|3.229552|3.419202|3.288440|3.014602|2.875916|4.542949|2.321136|2.044835|3.179876|0.081630|2.702970|2.261168|3.787848|2.050092|1.791887|1.651647|1.689663|1.895289|2.120973|4.344269|2.793713|3.461451|6.436343|5.243516|5.009861|7.613305|17.200464|0.259360|7.601816|5.911873|36.858105| |2.183641|2.420192|2.749573|5.272795|3.227077|3.341579|3.382422|3.308237|3.200943|3.157981|5.100185|2.581537|2.287852|3.064176|0.080460|2.551099|2.175166|3.728510|1.943250|1.717353|1.572372|1.585215|1.752798|1.965009|3.934974|2.540904|3.029007|5.387754|4.761911|4.482739|5.987588|10.296221|0.207398|4.974975|4.384731|12.523608|36.858105| |1.463731|1.536307|1.696404|3.102686|1.912136|2.047519|2.244301|2.273220|2.091570|1.931182|3.150050|1.753477|1.585705|2.430847|0.065264|2.966490|3.670932|6.286427|4.762865|7.061150|10.974456|7.036121|4.774578|4.244767|5.788181|2.889136|2.359224|3.848723|3.002631|1.892231|1.766123|2.130471|0.042257|1.551619|1.409016|1.444223|1.389024|448.794386| |17.575768|8.807673|5.496637|7.488190|3.304302|3.024699|2.477933|2.241618|2.350437|2.791977|5.062058|2.410357|2.436664|1.904479|0.050289|1.794200|1.775421|3.283274|1.631236|1.572472|1.451275|1.388499|1.426291|1.543211|2.771293|1.673279|1.668434|2.788966|2.443175|1.781932|1.900060|2.385754|0.047192|1.568954|1.430288|1.858741|2.008482|11.006318|0.500000| |17.534903|8.756299|6.810719|8.306499|3.715128|3.557026|2.837374|2.476691|2.529580|2.988196|5.175590|2.413604|2.350082|2.082088|0.054053|1.951771|1.896732|3.451627|1.741948|1.655166|1.526892|1.475342|1.533172|1.665942|3.028541|1.836735|1.851741|3.106929|2.709811|1.984964|2.173313|2.714005|0.052926|1.772038|1.594051|2.149521|2.312369|11.414931|0.302179|0.500000| |17.541456|8.759881|6.813996|8.303823|3.739220|3.566758|2.854665|2.499775|2.558370|3.022803|5.241311|2.461886|2.401350|2.100278|0.054586|2.008260|2.002485|3.693612|1.844648|1.779300|1.636846|1.560958|1.601993|1.737731|3.101495|1.867484|1.837127|3.049871|2.670865|1.909478|2.039909|2.509144|0.049096|1.656838|1.489207|1.932450|2.044173|12.355348|0.302234|0.301358|0.500000| |8.820146|17.554312|8.947809|13.142768|4.913299|4.040649|3.140789|2.865092|3.137256|4.012559|7.508863|3.313242|3.311015|2.334517|0.061816|2.111232|2.044958|3.807196|1.821193|1.719256|1.557694|1.488411|1.550110|1.712338|3.120431|1.935011|1.960359|3.235228|2.966607|2.200844|2.352376|2.916292|0.058166|1.854577|1.677274|2.280450|2.563321|11.592494|0.212008|0.209835|0.172459|0.500000| |8.821400|17.562136|8.955084|13.128916|4.968679|4.055064|3.164275|2.900735|3.192070|4.096366|7.710341|3.439802|3.457023|2.360075|0.062610|2.182772|2.178315|4.136932|1.938666|1.858557|1.674074|1.575835|1.620872|1.790056|3.199962|1.970878|1.943252|3.171565|2.916163|2.099995|2.186962|2.668077|0.053225|1.724639|1.557226|2.027565|2.213520|12.573647|0.212001|0.172437|0.209964|0.303615|0.500000| |6.846419|8.830496|17.540634|16.524632|7.186051|6.802327|4.633010|3.794211|3.862483|4.847026|7.655572|3.315692|3.004578|2.947339|0.074607|2.757406|2.718915|5.053268|2.402935|2.255045|2.008592|1.899238|1.980722|2.221306|3.994277|2.481524|2.422197|3.901348|3.618746|2.529579|2.693987|3.151245|0.061261|2.030353|1.777442|2.372730|2.506298|14.690172|0.140253|0.167931|0.202515|0.174114|0.213279|0.500000| |6.864282|8.839524|17.521792|16.505150|7.003340|6.725829|4.555164|3.710378|3.759970|4.699403|7.442522|3.196117|2.902532|2.894968|0.073192|2.614322|2.468457|4.477120|2.186783|2.015858|1.814194|1.750096|1.854135|2.075908|3.840114|2.409256|2.454630|4.021321|3.714735|2.711657|3.024902|3.588125|0.069212|2.253971|1.963955|2.814000|3.058091|13.173362|0.140477|0.203072|0.168447|0.213054|0.174251|0.300697|0.500000| |4.000724|4.676440|7.430681|12.585515|8.941536|17.764608|8.936506|5.660302|4.971794|5.629246|7.597601|3.325368|2.811280|4.088805|0.096520|3.708897|3.397873|5.990032|2.929178|2.598893|2.283076|2.205302|2.389176|2.768030|5.190767|3.355714|3.357931|5.297406|5.114183|3.500463|3.900601|4.238206|0.079750|2.664671|2.228782|3.131527|3.191498|15.973825|0.090976|0.112705|0.112147|0.115969|0.115381|0.223957|0.228436|0.500000| |2.651345|2.979648|3.903965|7.464254|5.644174|8.932051|17.702618|8.916194|5.644109|4.939121|6.522445|3.129150|2.554017|6.931890|0.139869|6.409376|5.039322|7.974854|4.155111|3.351363|2.860087|2.822266|3.238927|4.035712|8.130669|5.808396|5.751438|8.255832|8.743083|5.089619|5.382232|5.184332|0.095435|3.330979|2.654342|3.448071|3.250400|18.794013|0.064278|0.074335|0.074689|0.077788|0.078197|0.114388|0.113052|0.217402|0.500000| |2.331235|2.808245|3.325552|7.607775|5.631436|4.971047|5.672549|8.915223|17.755510|8.966243|12.646129|7.459048|4.690957|7.075327|0.232025|4.936416|4.439068|8.794798|3.301406|2.863729|2.384687|2.229481|2.410164|2.919937|5.461070|3.830305|3.821508|5.600639|6.856987|4.677620|3.878383|4.276237|0.090189|2.656865|2.340448|2.801262|2.979093|16.557719|0.059179|0.062458|0.063244|0.077391|0.078886|0.089675|0.087359|0.107900|0.124247|0.500000| |2.438025|3.003168|3.323748|7.694477|4.873237|3.884786|3.823347|4.645161|6.812535|7.215376|16.531163|17.554951|8.835796|3.887077|0.118344|3.298840|3.333056|6.987252|2.664755|2.483424|2.107496|1.929562|2.006130|2.328836|4.159884|2.710673|2.623735|4.049405|4.240253|2.974350|2.680715|3.161386|0.066439|2.022312|1.840346|2.183064|2.367499|15.352609|0.063230|0.063181|0.065949|0.082889|0.089385|0.089275|0.082636|0.090101|0.088329|0.223686|0.500000| |2.352728|2.894965|3.189835|7.422278|4.680689|3.746152|3.707459|4.541291|6.712616|6.972406|16.508112|17.530570|8.851755|3.853134|0.118938|3.093082|2.933999|5.778404|2.388558|2.182787|1.888037|1.771623|1.871693|2.163552|3.985114|2.625192|2.672270|4.181334|4.444019|3.327431|2.988692|3.588727|0.077367|2.233994|2.050984|2.481806|2.787066|13.661256|0.061225|0.062293|0.062216|0.083245|0.083050|0.082292|0.082366|0.087024|0.085859|0.230066|0.300679|0.500000| |2.225490|2.695286|2.747486|6.005051|3.390069|2.779112|2.657573|2.998840|3.838969|4.244490|10.246297|8.885441|17.560838|2.658940|0.079809|2.328777|2.328415|4.643510|1.981492|1.887552|1.662916|1.545254|1.592473|1.790129|3.209457|2.028387|2.014182|3.229317|3.157049|2.322943|2.158747|2.682890|0.057123|1.732253|1.624571|1.904604|2.112123|12.449850|0.059824|0.057627|0.058967|0.077625|0.080952|0.071759|0.069309|0.068366|0.064336|0.118130|0.212155|0.212951|0.500000| |2.611408|3.281781|3.285249|7.425276|3.970328|3.110319|2.850506|3.118768|4.013909|4.858721|12.955970|8.863956|17.581489|2.659608|0.077513|2.289712|2.234942|4.358649|1.908918|1.798589|1.593579|1.497184|1.555885|1.748590|3.175975|2.016799|2.040508|3.292739|3.224091|2.426114|2.327468|2.904367|0.061652|1.838878|1.715853|2.111678|2.410605|11.852681|0.070119|0.067622|0.067310|0.098538|0.097556|0.082177|0.082656|0.076685|0.068216|0.115798|0.173284|0.212115|0.300429|0.500000| |2.724434|3.433955|3.424367|7.677536|4.077352|3.183311|2.898916|3.149223|4.031549|4.930098|12.935841|8.871682|17.589088|2.669572|0.077337|2.368544|2.396057|4.811221|2.040617|1.955328|1.718527|1.588422|1.630030|1.831786|3.261130|2.053979|2.017873|3.225973|3.142448|2.277765|2.171679|2.662332|0.055660|1.714680|1.586326|1.917306|2.122302|12.903869|0.073049|0.068647|0.071981|0.097726|0.108018|0.088940|0.082771|0.078643|0.069367|0.114934|0.212221|0.173493|0.300450|0.301023|0.500000| |1.748938|1.891975|2.143552|4.046362|2.585957|2.770300|3.143177|3.308682|3.008504|2.680299|4.260044|2.376849|2.071532|3.570723|0.095829|4.637410|7.114484|13.168962|8.934577|17.763520|8.923396|5.630267|4.938362|5.659123|7.464476|4.021831|3.079919|4.729751|4.055791|2.447770|2.218270|2.586360|0.051493|1.834398|1.637624|1.728565|1.679019|53.468924|0.044963|0.046782|0.050851|0.049179|0.053935|0.064553|0.056745|0.072076|0.088920|0.082487|0.074317|0.063487|0.055829|0.052527|0.058165|0.500000| |1.402281|1.462952|1.632379|2.967561|1.846721|2.032659|2.284520|2.280758|2.025622|1.844804|2.962835|1.630161|1.462539|2.526394|0.066276|3.156483|3.570779|5.562285|4.946094|5.654408|8.898070|17.752082|8.960820|5.671480|7.586429|3.391168|2.751396|4.635569|3.296651|2.060881|1.936530|2.344099|0.045950|1.756509|1.583829|1.570289|1.472491|53.922339|0.036312|0.038483|0.040659|0.038496|0.040659|0.048444|0.044866|0.055388|0.068757|0.055023|0.048414|0.044749|0.039546|0.038384|0.040611|0.124075|0.500000| |1.476812|1.551458|1.760894|3.222017|2.045633|2.310673|2.700831|2.688834|2.292539|2.039921|3.208867|1.748714|1.543230|3.120340|0.079443|4.038785|4.111748|5.926505|5.628130|4.937492|5.629178|8.902863|17.751672|8.937857|13.335074|4.943242|3.898901|6.728276|4.296917|2.609844|2.439008|2.912793|0.056342|2.233737|1.970101|1.903381|1.739349|31.550122|0.037947|0.040983|0.042412|0.041101|0.042535|0.051743|0.049193|0.062665|0.084268|0.061774|0.051366|0.048719|0.041472|0.040798|0.042301|0.107326|0.214033|0.500000| |2.006515|2.293019|2.700835|5.579837|3.873418|4.080768|5.054303|6.390383|5.700181|4.397418|6.522405|3.508871|2.798762|7.200204|0.199547|4.737948|3.589053|6.013299|2.952428|2.460892|2.154779|2.147098|2.441132|2.927493|6.107152|4.454517|5.795070|8.854014|12.620691|17.606355|8.822790|8.746418|0.197845|4.834802|3.969745|4.676630|4.612669|14.665791|0.050993|0.056232|0.054031|0.064479|0.061242|0.071935|0.077331|0.096548|0.128918|0.157868|0.094291|0.111059|0.073031|0.076586|0.070360|0.066445|0.053653|0.065581|0.500000| |1.761413|1.955197|2.266632|4.476864|2.990902|3.263064|4.017631|4.592338|3.919633|3.209585|4.913738|2.674425|2.234621|5.748049|0.153656|4.494549|3.365116|5.390087|2.933761|2.422565|2.171335|2.229766|2.598273|3.076353|6.753702|4.811970|7.265775|12.754161|12.608900|17.566748|8.791285|10.049028|0.218849|6.694707|5.234027|4.702015|4.088668|14.631596|0.045025|0.049744|0.047886|0.054581|0.052171|0.061442|0.065487|0.081434|0.112761|0.108577|0.073427|0.081978|0.059327|0.061150|0.057332|0.063782|0.056041|0.071688|0.302227|0.500000| |2.077866|2.274215|2.734717|5.186513|3.490910|4.212367|5.230500|4.872501|3.840206|3.372093|4.963176|2.523797|2.134433|5.087195|0.117241|4.307204|3.277355|5.186768|2.933183|2.427888|2.197750|2.279331|2.670459|3.129494|6.904252|4.760333|6.871633|12.750927|10.101614|8.783501|17.672516|12.446415|0.183917|7.591451|4.763315|6.518464|4.897573|14.782587|0.052027|0.060001|0.056682|0.062722|0.058988|0.074538|0.082592|0.110533|0.164087|0.095947|0.068580|0.073800|0.055166|0.058994|0.056190|0.063436|0.057460|0.074353|0.174792|0.197991|0.500000| |2.364133|2.675757|3.276004|6.490227|4.486176|5.219858|6.111579|5.817568|4.857970|4.358610|6.266845|3.081221|2.553243|5.227801|0.124610|3.995365|3.145326|5.227757|2.700470|2.283663|2.036646|2.051717|2.329459|2.731209|5.683093|3.947191|5.035255|8.326756|8.880235|8.791006|17.684229|12.262198|0.206919|5.641056|4.132723|7.538898|6.888575|13.963614|0.058839|0.068200|0.063176|0.075219|0.068677|0.085889|0.099946|0.129626|0.163942|0.117168|0.081017|0.091413|0.064751|0.071597|0.066214|0.061305|0.051755|0.063397|0.223496|0.174830|0.301796|0.500000| |1.666610|1.799361|2.066660|3.909455|2.519337|2.817917|3.304864|3.365097|2.887681|2.543871|3.961833|2.112717|1.832611|3.814064|0.097295|3.409171|2.704794|4.303985|2.516967|2.125198|1.972878|2.083554|2.439736|2.754271|6.075599|3.911472|5.612122|12.931087|7.336282|6.851568|7.675529|12.313106|0.208443|17.660866|8.822113|5.639592|4.132090|13.428450|0.042654|0.047870|0.045423|0.050162|0.047389|0.056262|0.061108|0.074375|0.098456|0.077265|0.057682|0.062861|0.048534|0.050786|0.047920|0.055262|0.053434|0.069880|0.143754|0.233900|0.225639|0.149959|0.500000| |1.727436|1.839213|2.104238|3.887309|2.448576|2.753649|3.081579|2.972551|2.597957|2.389116|3.751292|1.963520|1.731652|3.128004|0.079161|2.836826|2.338320|3.783049|2.199867|1.898570|1.780759|1.876098|2.158359|2.383513|5.074424|3.162123|4.120276|8.752742|5.503516|4.881038|6.605182|12.405816|0.183486|17.623606|8.771028|7.474099|4.707981|12.317597|0.044150|0.050391|0.046862|0.051495|0.047773|0.056894|0.063575|0.075079|0.092275|0.068123|0.052989|0.057687|0.045515|0.048556|0.045633|0.049712|0.048651|0.061957|0.112487|0.142291|0.206081|0.145381|0.303256|0.500000| |1.435897|1.527382|1.700749|3.172641|1.966825|2.122229|2.349025|2.381910|2.168024|1.984714|3.215708|1.740300|1.558511|2.586735|0.068996|2.378546|2.013988|3.295515|1.916779|1.681941|1.594967|1.682852|1.913058|2.071963|4.323041|2.626978|3.287150|6.916124|4.377023|3.840283|4.171918|7.533853|0.148899|8.951772|17.590926|4.602152|3.551355|11.180114|0.037289|0.041411|0.038936|0.043032|0.040293|0.045982|0.050215|0.057061|0.068190|0.059082|0.047156|0.051742|0.041730|0.043695|0.040817|0.044202|0.044118|0.055256|0.094160|0.124574|0.115576|0.096860|0.214119|0.212123|0.500000| |1.537670|1.642761|1.823246|3.409690|2.094920|2.231708|2.413436|2.432065|2.258370|2.105417|3.435243|1.842893|1.657598|2.541396|0.067932|2.268941|1.931773|3.212580|1.806858|1.595423|1.500381|1.559730|1.750971|1.910561|3.920163|2.424792|2.990996|5.948839|4.209883|3.852623|4.462734|9.203835|0.188640|8.720161|17.583977|6.351818|4.748832|10.602713|0.039952|0.044628|0.041244|0.046843|0.042999|0.048551|0.054350|0.060024|0.068675|0.061162|0.049135|0.055083|0.044114|0.047081|0.043191|0.042412|0.040798|0.049831|0.098502|0.118428|0.116589|0.107824|0.172043|0.208070|0.302806|0.500000| |1.498585|1.619385|1.805327|3.438730|2.148945|2.276988|2.530938|2.649985|2.455033|2.220193|3.610784|1.973026|1.751896|2.890083|0.078906|2.546590|2.134131|3.530389|1.979357|1.729721|1.615627|1.678623|1.898491|2.095386|4.351736|2.733414|3.462614|6.919265|4.920548|4.676047|4.798935|9.259950|0.218696|8.794370|17.550870|5.132049|4.176913|11.321574|0.038935|0.042967|0.040369|0.045976|0.042856|0.048336|0.052980|0.059936|0.071521|0.067903|0.053036|0.059802|0.047008|0.049278|0.045274|0.045880|0.043629|0.053869|0.118621|0.159681|0.120793|0.110516|0.211027|0.172182|0.302800|0.300198|0.500000| |1.850613|1.985724|2.235022|4.152722|2.543336|2.735210|2.877618|2.791404|2.588994|2.479374|3.994144|2.072519|1.854939|2.753411|0.071744|2.401418|2.039206|3.418148|1.877145|1.655462|1.541378|1.585163|1.771662|1.955076|3.983157|2.507815|3.065929|5.837301|4.490069|4.152458|5.625827|12.377369|0.213587|7.523928|6.815177|17.656455|8.865211|10.892555|0.047571|0.054532|0.049084|0.057096|0.050970|0.058516|0.068477|0.074432|0.081221|0.067929|0.054386|0.061456|0.048433|0.053274|0.048446|0.044301|0.041224|0.049805|0.107954|0.114380|0.142985|0.148090|0.148099|0.213728|0.145385|0.233777|0.154468|0.500000| |2.153929|2.318121|2.698278|4.957679|3.090820|3.477808|3.648943|3.348426|2.999237|2.894625|4.509037|2.267174|1.998073|3.180565|0.079721|2.758348|2.312628|3.850924|2.111838|1.844220|1.703838|1.748595|1.965727|2.195612|4.500312|2.872920|3.520803|6.555231|5.201616|4.665083|7.368736|12.422123|0.183144|6.665786|4.937621|17.623625|8.765198|11.931621|0.054340|0.064087|0.057265|0.065932|0.058619|0.070684|0.084927|0.096331|0.104932|0.075862|0.059604|0.066182|0.051394|0.057046|0.052636|0.049246|0.045142|0.054935|0.117816|0.118264|0.199530|0.212510|0.146344|0.209248|0.114475|0.142677|0.117570|0.302391|0.500000| |2.429273|2.758237|3.206992|6.313913|3.934079|4.025985|3.999912|3.894472|3.818672|3.827978|6.063356|2.983014|2.593093|3.443170|0.089678|2.791313|2.371581|4.097398|2.082055|1.833398|1.661147|1.660420|1.833060|2.077868|4.142195|2.716766|3.204654|5.516519|5.214554|4.861713|6.453914|9.174317|0.183935|4.437386|3.783722|8.721813|17.593975|11.747143|0.061413|0.071134|0.062814|0.081460|0.069656|0.079913|0.099590|0.104446|0.103276|0.096356|0.075003|0.089465|0.065457|0.076069|0.066524|0.050056|0.042586|0.050052|0.144428|0.116377|0.142260|0.237745|0.108249|0.116503|0.087393|0.108541|0.102303|0.172526|0.208223|0.500000| |2.007884|2.231055|2.488811|4.835168|2.945462|2.974455|3.042827|3.088834|3.061040|2.985527|4.937359|2.568451|2.292198|2.928643|0.079000|2.431630|2.084728|3.593560|1.861456|1.651499|1.513258|1.522988|1.678429|1.877190|3.744715|2.412879|2.867634|5.103866|4.524054|4.322730|5.228832|9.288492|0.218578|4.724508|4.512973|8.794872|17.552925|10.773259|0.051870|0.058408|0.052263|0.065914|0.057485|0.063246|0.075144|0.077861|0.080599|0.081457|0.065196|0.078469|0.059449|0.067405|0.058401|0.044973|0.039361|0.046253|0.128042|0.113742|0.117744|0.156445|0.110163|0.118469|0.100095|0.137670|0.125524|0.211977|0.172162|0.300195|0.500000| 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