Version2.4 2021-06-12T21:01:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[C@H](c1cc(c2c(c1)OC(C[C@H]2C3=CC[NH+](CC3)Cc4ccc5ccccc5c4)(C)C)O)O C45168432 RHF 6-31G(d) (6D,7F) CCCC[C@H](c1cc(c2c(c1)OC(C[C@H]2C3=CC[NH+](CC3)Cc4ccc5ccccc5c4)(C)C)O)O C01[X(C32H40N1O3)] 222 C1 620 CCCC[C@H](c1cc(O)c2c(c1)OC(C[C@H]2C1=CC[NH+](CC1)Cc1ccc2c(c1)cccc2)(C)C)O CCCC[C@H](c1cc(O)c2c(c1)OC(C[C@H]2C1=CC[NH+](CC1)Cc1ccc2c(c1)cccc2)(C)C)O CCCC[C@@H](O)c1cc(O)c2[C@@H](CC(C)(C)Oc2c1)C3=CC[NH+](CC3)Cc4ccc5ccccc5c4 InChIKey=AMLMFZFYSYRFNX-WUFINQPMSA-O InChI=1S/C32H39NO3/c1-4-5-10-28(34)26-18-29(35)31-27(20-32(2,3)36-30(31)19-26)24-13-15-33(16-14-24)21-22-11-12-23-8-6-7-9-25(23)17-22/h6-9,11-13,17-19,27-28,34-35H,4-5,10,14-16,20-21H2,1-3H3/p+1/t27-,28+/m0/s1 InChI=1/C32H39NO3/c1-4-5-10-28(34)26-18-29(35)31-27(20-32(2,3)36-30(31)19-26)24-13-15-33(16-14-24)21-22-11-12-23-8-6-7-9-25(23)17-22/h6-9,11-13,17-19,27-28,34-35H,4-5,10,14-16,20-21H2,1-3H3/p+1/t27-,28+/m0/s1/fC32H40NO3/h33H/q+1 CCCC[C@H](c1cc(c2c(c1)OC(C[C@H]2C3=CC[NH+](CC3)Cc4ccc5ccccc5c4)(C)C)O)O C01[X(C32H40N1O3)] 222 C01 620 CCCC[C@H](c1cc(O)c2c(c1)OC(C[C@H]2C1=CC[NH+](CC1)Cc1ccc2c(c1)cccc2)(C)C)O CCCC[C@H]([C]1[CH][C]([C]2[C]([CH]1)OC(C[C@H]2C1=CC[NH](CC1)C[C]1[CH]=[CH][C]2[C]([CH]=1)[CH]=[CH][CH]=[CH]2)(C)C)O)O CCCC[C@@H](O)[C]1[CH][C](O)[C]2[C]([CH]1)OC(C)(C)C[C@H]2C3=CC[NH](CC3)CC4=C[C]5C=CC=C[C]5C=C4 InChIKey=VGDMZKWMNRMVOY-WUFINQPMSA-N InChI=1S/C32H40NO3/c1-4-5-10-28(34)26-18-29(35)31-27(20-32(2,3)36-30(31)19-26)24-13-15-33(16-14-24)21-22-11-12-23-8-6-7-9-25(23)17-22/h6-9,11-13,17-19,27-28,33-35H,4-5,10,14-16,20-21H2,1-3H3/t27-,28+/m0/s1 InChI=1/C32H40NO3/c1-4-5-10-28(34)26-18-29(35)31-27(20-32(2,3)36-30(31)19-26)24-13-15-33(16-14-24)21-22-11-12-23-8-6-7-9-25(23)17-22/h6-9,11-13,17-19,27-28,33-35H,4-5,10,14-16,20-21H2,1-3H3/t27-,28+/m0/s1 3667.7628578914 -1513.929792 1-A 34325.9652 131 489 620 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.68257 -20.65770 -20.62721 -15.83251 -11.43014 -11.42413 -11.42207 -11.38496 -11.37830 -11.37387 -11.36491 -11.36451 -11.36253 -11.35500 -11.35093 -11.34829 -11.34738 -11.34496 -11.34421 -11.34328 -11.34196 -11.32738 -11.32544 -11.32449 -11.32368 -11.31865 -11.31665 -11.31039 -11.29303 -11.28884 -11.28729 -11.28687 -11.28485 -11.27178 -11.26760 -11.25478 -1.50051 -1.49426 -1.47737 -1.43878 -1.28861 -1.25401 -1.23166 -1.22302 -1.18746 -1.18369 -1.16316 -1.15213 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1609.02 1637.94 1638.38 1638.72 1655.17 1704.55 1708.96 1715.39 1726.56 1737.74 1738.73 1759.62 1784.45 1793.27 1818.56 1831.82 1837.63 1851.50 1860.75 1875.73 1876.91 1887.52 1925.58 1930.09 1945.44 1980.53 1988.41 1991.24 1996.49 1999.94 2006.61 2015.75 2025.61 2044.87 2047.91 2085.53 2101.04 2112.36 2113.45 2115.86 2129.06 2133.71 2140.49 2163.37 2165.84 2184.91 2193.53 2202.94 2210.47 2227.19 2239.28 2240.92 2250.30 2251.80 2257.38 2270.87 2280.93 2289.42 2295.36 2310.44 2332.69 2342.81 2347.64 2350.26 2352.48 2355.12 2356.54 2360.59 2364.41 2365.12 2366.61 2367.01 2383.98 2386.28 2391.28 2417.63 2417.88 2547.26 2561.79 2603.11 2628.37 2648.65 2735.14 4565.37 4587.02 4598.34 4607.12 4613.30 4621.66 4627.18 4628.59 4636.01 4641.26 4657.84 4663.72 4677.93 4691.10 4695.65 4699.77 4701.12 4703.77 4715.27 4725.34 4733.67 4742.21 4748.51 4749.54 4784.72 4789.61 4799.13 4802.14 4826.49 4842.81 4848.48 4850.62 4866.48 4873.39 4874.07 4881.04 4891.80 5313.24 5890.08 5904.47 0.711747 0.743782 0.744727 0.644639 -1513.218045 -1513.186010 -1513.185065 -1513.285153 3.356968D-04 MUNgauss RevisionA2.1 retrievium 12-Jun-2021 DUDE CCCC[C@H](c1cc(c2c(c1)OC(C[C@H]2C3=CC[NH+](CC3)Cc4ccc5ccccc5c4)(C)C)O)O C45168432 RHF 6-31G(d) (6D,10F) C1 486.300819 |X|Y|Z| 174.334843 54.139264 31.657223 66.853341 27 6 7 8 25 1 1 |36.858105| |12.466941|36.858105| |7.478535|12.450627|36.858105| |4.867477|7.476819|12.444981|36.858105| |3.729675|4.855029|7.440178|12.424145|36.858105| |3.667791|4.551261|6.921015|8.883763|17.573103|0.500000| |2.966808|3.743336|4.866611|7.490454|12.480034|0.249643|36.858105| |2.560729|3.111636|3.853054|5.268290|7.508807|0.164681|13.709730|36.858105| |2.200248|2.618912|3.078044|3.995345|5.006508|0.120716|7.940405|13.789180|36.858105| |2.107627|2.505779|2.874899|3.703075|4.379719|0.110826|6.747323|7.829013|13.657921|36.858105| |2.328255|2.819583|3.252595|4.320148|5.005804|0.129562|7.918918|6.906582|8.036097|13.669759|36.858105| |2.774594|3.474658|4.226658|6.122047|7.548987|0.190764|13.777602|7.979685|6.934203|7.837826|13.718803|36.858105| |2.175848|2.593468|2.883808|3.642462|3.936877|0.106448|5.295689|4.644179|5.248428|7.935240|14.151429|8.219813|73.516695| |1.911109|2.236429|2.419777|2.954383|3.118048|0.083505|3.995143|3.810650|4.538147|6.739789|7.969422|5.281858|23.767932|36.858105| |1.746793|2.015262|2.206122|2.657099|2.908257|0.077941|3.751951|3.861657|4.968958|7.587856|6.827034|4.567679|14.186834|12.470366|36.858105| |1.816597|2.110767|2.347463|2.878979|3.244320|0.084408|4.383822|4.963872|7.445358|12.513587|7.505663|4.979710|11.668729|7.446843|12.357878|36.858105| |1.779848|2.069014|2.264886|2.766639|3.025555|0.077376|3.974295|4.547768|6.560513|8.944745|6.057518|4.366520|9.680482|6.486841|8.871462|17.555523|0.500000| |1.649684|1.879959|2.096899|2.494489|2.857407|0.075698|3.674790|4.305489|6.142034|7.429442|5.107885|3.895316|8.118957|4.934560|7.642169|12.505228|0.251587|36.858105| |1.508382|1.701582|1.870104|2.184290|2.444841|0.064583|3.016683|3.515720|4.691208|5.165050|3.874118|3.125902|6.383273|4.001287|5.703189|7.688880|0.208841|14.416757|36.858105| |1.377660|1.532150|1.679954|1.920052|2.148288|0.057459|2.556799|2.947033|3.675426|3.813804|3.057985|2.595786|5.100054|3.104475|4.096014|4.879012|0.131248|7.594787|12.680898|36.858105| |1.369689|1.514654|1.674348|1.898786|2.154800|0.058697|2.541706|2.883850|3.495826|3.629084|3.001228|2.584179|5.028901|2.971028|3.871584|4.376287|0.109920|6.697514|7.691297|12.714874|53.358707| |1.350153|1.492252|1.642606|1.860562|2.095996|0.057529|2.470435|2.734089|3.290727|3.559421|3.019376|2.570350|5.211684|3.134273|4.157686|4.390062|0.108434|6.455635|7.015971|9.382843|25.700801|0.500000| |1.505499|1.674467|1.884376|2.157145|2.522113|0.068967|3.026588|3.511462|4.302804|4.325577|3.494865|3.026091|5.622603|3.168322|4.085702|4.867039|0.115721|7.584549|6.840319|7.761822|17.295170|0.259281|36.858105| |1.648788|1.862067|2.108682|2.475050|2.921999|0.079675|3.690451|4.254482|5.590500|6.221284|4.753549|3.845568|7.512816|4.197433|5.822626|7.296177|0.152610|12.594106|7.743479|6.452927|10.481814|0.205827|12.543170|36.858105| |1.259360|1.376504|1.513980|1.687037|1.900024|0.052054|2.175184|2.440037|2.828307|2.852137|2.446768|2.180049|4.125869|2.407345|2.967268|3.256932|0.084435|4.398883|4.965433|7.579641|17.153215|0.258401|7.610727|4.979040|36.858105| |1.161227|1.263548|1.373366|1.520142|1.681721|0.046067|1.905860|2.100962|2.410092|2.472996|2.165716|1.931418|3.735697|2.223594|2.704604|2.860068|0.075980|3.664147|4.267641|6.230743|10.351108|0.201752|4.967918|3.848985|12.667899|36.858105| |1.125630|1.221774|1.322544|1.458463|1.603474|0.044271|1.809420|1.955334|2.223541|2.333177|2.090760|1.861923|3.686018|2.210860|2.671515|2.701330|0.071102|3.348323|3.741960|4.883629|8.124661|0.186907|4.250423|3.546723|7.543129|13.392559|36.858105| |1.051128|1.136270|1.219741|1.337151|1.452783|0.040074|1.624501|1.739785|1.958244|2.057889|1.869662|1.675739|3.330506|2.012525|2.379509|2.369465|0.063476|2.820780|3.156002|3.905005|5.858690|0.131500|3.291824|2.888791|5.046168|7.897959|14.042993|36.858105| |1.009211|1.088913|1.163696|1.272346|1.374177|0.037681|1.528991|1.645475|1.845485|1.916056|1.735127|1.564722|3.071133|1.856269|2.168839|2.194644|0.059969|2.579634|2.946222|3.652650|5.106479|0.108361|2.922671|2.572143|4.419498|6.786876|7.882585|13.404261|36.858105| |0.944887|1.015447|1.078032|1.172077|1.254696|0.034423|1.384757|1.477601|1.640634|1.704763|1.563410|1.419551|2.786627|1.686319|1.932278|1.933702|0.053263|2.207596|2.483343|2.933188|4.017343|0.085293|2.408599|2.181371|3.325324|4.508775|5.121663|7.671551|13.430477|36.858105| 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|1.033681|1.117046|1.196632|1.311157|1.420797|0.038730|1.583731|1.726835|1.944602|1.987767|1.774621|1.603164|3.095406|1.860956|2.182596|2.272607|0.062670|2.709753|3.173627|4.109451|5.530562|0.110816|3.121772|2.675869|5.000123|7.861900|6.802944|7.814936|13.519596|7.815057|6.822535|7.904353|13.424884|36.858105| |1.108512|1.202881|1.299121|1.431972|1.569520|0.042717|1.764514|1.950159|2.220366|2.249369|1.973425|1.774767|3.395528|2.026522|2.418890|2.581338|0.070483|3.201297|3.815961|5.398758|7.471480|0.140981|3.963527|3.211463|7.633203|13.991728|7.915525|6.846030|7.819898|5.106303|4.523344|5.127310|7.679497|13.419686|36.858105| |1.938746|2.286970|2.413088|2.954706|2.982136|0.077576|3.731982|3.607173|4.215750|5.698705|6.268783|4.670374|14.027968|12.454448|7.471387|6.149190|0.180633|4.185204|3.651876|2.848369|3.573671|0.075304|2.742163|3.436389|2.174174|2.036113|2.001729|1.850724|1.742227|1.599461|1.504191|1.516774|1.629947|1.761891|1.900399|36.858105| |1.784692|2.050464|2.182837|2.570650|2.664815|0.073394|3.209984|3.003952|3.388673|4.491816|5.274524|4.104591|14.485317|12.507256|7.590283|4.891096|0.122467|3.829978|3.274127|2.695581|3.604134|0.079296|2.758725|3.486062|2.204038|2.079139|2.121575|1.959425|1.793320|1.647556|1.521140|1.503733|1.605073|1.765240|1.891134|7.597451|36.858105| |1.959039|2.276948|2.617668|3.224750|3.874516|0.095683|5.226451|8.004847|14.023855|8.116207|5.289875|4.640093|7.138452|3.785044|4.396387|6.729803|0.179783|6.736213|5.567548|4.379230|5.418244|0.099511|4.895492|5.832646|3.200851|2.678387|2.396337|2.094315|1.995230|1.756700|1.665181|1.749721|1.972903|2.145058|2.493645|3.616834|2.941081|73.516695| |3.550509|4.338919|6.393783|7.856091|13.564341|0.266467|7.860364|6.903796|4.602564|3.779908|3.948001|5.141350|5.646861|2.649135|2.563969|2.918911|0.076737|2.679865|2.342471|2.100824|2.868834|0.056148|2.474647|2.763831|1.887669|1.661996|1.568228|1.419932|1.351725|1.233266|1.178280|1.215650|1.322896|1.408745|1.561808|2.561890|2.285862|6.835723|73.516695| |17.540334|8.774310|6.777084|4.496403|3.615649|0.097888|2.859085|2.525458|2.158204|2.034776|2.207539|2.609474|3.628954|1.804713|1.672972|1.757681|0.047925|1.612724|1.481241|1.360852|1.842006|0.036879|1.489684|1.616762|1.250507|1.150860|1.111111|1.036957|0.998092|0.934025|0.901618|0.921885|0.980273|1.025671|1.101433|1.827952|1.676854|3.457182|6.467207|0.500000| |17.541211|8.775218|6.775197|4.499822|3.615386|0.103180|2.877144|2.463431|2.126942|2.055118|2.287195|2.728626|3.834484|1.884777|1.723048|1.775756|0.047920|1.620376|1.476779|1.353781|1.846225|0.037264|1.493615|1.635573|1.249387|1.151802|1.120944|1.046310|1.001225|0.937520|0.901055|0.916287|0.972421|1.022156|1.095624|1.884766|1.779378|3.359761|6.039251|0.301709|0.500000| |17.557369|8.779947|5.458416|4.043098|3.162025|0.085836|2.627188|2.303411|2.018710|1.952128|2.147162|2.504515|3.617278|1.812568|1.651896|1.706439|0.046762|1.549137|1.426592|1.304833|1.758687|0.035451|1.407959|1.537638|1.190837|1.104779|1.073141|1.006601|0.968864|0.910430|0.878793|0.895326|0.947930|0.991061|1.058157|1.858080|1.705851|3.224197|5.345547|0.301752|0.301772|0.500000| |8.861426|17.508286|8.853036|6.870371|4.532136|0.112443|3.644171|3.124765|2.644793|2.506190|2.769204|3.342895|4.498646|2.216305|2.004439|2.121442|0.058556|1.883813|1.717899|1.542796|2.055637|0.041182|1.661155|1.841642|1.372192|1.262054|1.215347|1.132201|1.089951|1.017191|0.980993|1.004307|1.070674|1.122059|1.207615|2.313300|2.011075|4.128901|7.459785|0.210671|0.172962|0.212958|0.500000| |8.861237|17.511928|8.851955|6.883873|4.532489|0.120640|3.681951|3.010621|2.588477|2.544341|2.930394|3.603255|4.906009|2.368634|2.091659|2.153283|0.058548|1.896037|1.711066|1.532655|2.061563|0.041717|1.666672|1.869492|1.370792|1.263340|1.228198|1.144353|1.094037|1.021704|0.980297|0.997159|1.060573|1.117531|1.200073|2.430823|2.193964|3.967257|6.828772|0.172954|0.210722|0.212913|0.304007|0.500000| |6.874313|8.854457|17.505083|8.868383|6.841449|0.208873|4.572507|3.585787|2.912093|2.767611|3.171654|4.122570|5.084861|2.379590|2.170479|2.274994|0.060188|2.049438|1.819806|1.644688|2.257040|0.045408|1.871851|2.094401|1.503354|1.363108|1.319810|1.216234|1.155075|1.070123|1.022075|1.041107|1.114733|1.182639|1.283084|2.321679|2.182651|4.403750|10.201668|0.169125|0.203898|0.140479|0.173650|0.211663|0.500000| |6.882871|8.855490|17.541585|8.826733|6.835140|0.173297|4.497239|3.780445|2.990975|2.717112|2.968428|3.742696|4.633272|2.224277|2.072599|2.236398|0.060163|2.033153|1.827258|1.656642|2.248612|0.044708|1.863507|2.054779|1.504829|1.361164|1.303621|1.201423|1.150012|1.064713|1.022637|1.049000|1.126197|1.187719|1.291984|2.217439|2.001672|4.625201|12.759432|0.204183|0.169404|0.140575|0.211370|0.173700|0.304530|0.500000| |4.523842|6.844992|8.801847|17.468030|8.884945|0.174394|6.816529|5.354734|4.104199|3.718406|4.162944|5.505128|6.197826|2.917559|2.639813|2.915061|0.079743|2.509553|2.223879|1.944538|2.576860|0.051247|2.132481|2.432768|1.681358|1.519488|1.449402|1.332137|1.275477|1.176045|1.128017|1.159147|1.249219|1.320812|1.441730|3.022245|2.500658|5.986752|12.603951|0.119217|0.111054|0.108451|0.206459|0.171253|0.173256|0.209560|0.500000| |4.544110|6.879674|8.861444|17.565529|8.857429|0.210654|7.019294|4.812466|3.885184|3.826001|4.745839|6.904927|7.370327|3.277174|2.837165|2.986588|0.079389|2.530511|2.202934|1.920026|2.583272|0.052178|2.139706|2.491215|1.676009|1.519276|1.468964|1.349955|1.280130|1.181362|1.125441|1.146667|1.231550|1.311507|1.426758|3.281487|2.869208|5.505601|10.121209|0.111408|0.119914|0.108825|0.171327|0.207964|0.212335|0.173599|0.304769|0.500000| |2.562324|3.061805|3.815653|4.939141|6.958641|0.152690|8.901479|17.741646|8.938415|5.606821|4.971711|5.662968|6.543738|3.148836|3.228918|4.062513|0.106692|3.755242|3.206024|2.784916|3.714596|0.070885|3.309042|3.772933|2.366704|2.033440|1.875397|1.672408|1.593744|1.433194|1.366637|1.423059|1.571929|1.684864|1.905451|3.037465|2.571357|12.928261|14.195351|0.071677|0.068035|0.063753|0.086237|0.080149|0.097501|0.109029|0.142745|0.118966|0.500000| |2.978787|3.762714|4.517898|6.367675|6.930094|0.192490|8.851048|5.642265|4.986880|5.635093|9.015434|17.743485|13.612865|4.927650|4.045838|4.095848|0.101851|3.299454|2.721987|2.307416|3.150018|0.064646|2.658008|3.292179|1.983384|1.780057|1.735810|1.575671|1.470193|1.343551|1.264127|1.279838|1.381751|1.495001|1.638979|4.382666|4.133189|6.540513|8.246085|0.076064|0.082567|0.074613|0.097603|0.112505|0.126602|0.106337|0.149081|0.226264|0.123784|0.500000| |1.606993|1.834978|1.979317|2.339795|2.514405|0.067364|3.127824|3.250703|4.077091|5.553916|4.986794|3.660262|10.160986|8.828255|17.563208|8.817892|0.222708|6.782174|5.870838|4.245825|5.262009|0.117534|3.811746|5.023510|2.984203|2.807871|2.803304|2.531666|2.313984|2.067663|1.894121|1.892997|2.065093|2.312190|2.530748|6.802267|6.832227|6.827098|4.017973|0.042856|0.043963|0.042536|0.050982|0.052862|0.053978|0.051959|0.065181|0.068995|0.077979|0.092444|0.500000| |1.706760|1.950998|2.152893|2.557873|2.847986|0.078218|3.614606|3.669105|4.563146|6.541987|6.213669|4.383325|12.965251|8.994338|17.543295|8.799157|0.174717|7.271654|5.301959|4.072810|5.621984|0.127595|4.450225|6.597122|3.143420|2.834826|2.852351|2.504628|2.234768|1.978167|1.796452|1.790141|1.961946|2.222895|2.474721|5.510421|7.216629|7.204212|4.474491|0.045452|0.047187|0.044681|0.053324|0.056167|0.059689|0.056289|0.069297|0.075622|0.086102|0.109909|0.302843|0.500000| |1.489716|1.683314|1.828381|2.135676|2.340592|0.061230|2.864960|3.308133|4.343576|4.787180|3.672255|2.977543|6.143013|3.975229|5.434547|7.102748|0.230864|9.131852|17.709799|8.754173|7.562841|0.146039|4.951975|5.519661|4.076223|3.739401|3.330920|2.930421|2.812879|2.421749|2.263828|2.376002|2.721902|3.036571|3.520865|3.854855|3.237306|9.072565|3.980979|0.040588|0.040305|0.039351|0.047574|0.047124|0.049057|0.049543|0.061151|0.060031|0.084127|0.072589|0.165237|0.131468|0.500000| |1.367070|1.516058|1.663547|1.892426|2.119694|0.056333|2.494607|2.925469|3.591385|3.534987|2.838571|2.470322|4.646751|2.768128|3.492094|4.253359|0.117756|6.080975|8.839790|17.577455|12.430889|0.182869|6.853552|5.407337|7.211079|5.783669|4.309105|3.541301|3.455906|2.803955|2.618018|2.859376|3.521783|4.074628|5.490474|2.601905|2.401589|7.963739|3.752099|0.037728|0.037195|0.035950|0.042589|0.041834|0.045030|0.045958|0.053590|0.052002|0.078687|0.060886|0.098667|0.095274|0.200725|0.500000| |1.292232|1.429883|1.551956|1.758911|1.937820|0.052009|2.272668|2.560936|3.112536|3.282843|2.727491|2.330847|4.674196|2.902803|3.759409|4.185913|0.115764|5.797935|8.864239|17.644421|12.404986|0.231440|5.660240|4.974351|6.917529|7.005855|5.559405|4.564614|4.343528|3.411694|3.071922|3.255863|3.986482|4.914759|6.341341|2.699058|2.588954|6.364204|3.358096|0.035404|0.035296|0.034173|0.040026|0.039872|0.042256|0.042424|0.049516|0.049120|0.067362|0.058467|0.113117|0.103475|0.214394|0.302535|0.500000| |1.528351|1.699924|1.919536|2.196722|2.582844|0.069708|3.082283|3.708958|4.525965|4.225120|3.356329|2.975344|5.257339|2.927671|3.651875|4.548949|0.112667|6.686489|6.396833|7.302307|12.442782|0.182366|17.620930|8.817012|6.830375|4.539605|3.732976|2.984104|2.746545|2.285183|2.105876|2.221663|2.614413|3.018267|3.857200|2.615566|2.520334|9.904258|4.613086|0.042279|0.041909|0.039637|0.047113|0.046609|0.052556|0.053264|0.060887|0.059695|0.100098|0.071958|0.094735|0.105834|0.134541|0.211567|0.145886|0.500000| |1.471935|1.623611|1.831381|2.068249|2.425449|0.067528|2.840496|3.205825|3.728457|3.737308|3.182599|2.836199|5.195051|2.874382|3.566471|4.006346|0.095873|5.521204|4.981589|5.642403|12.349672|0.217939|17.629638|8.795568|7.300596|4.783076|4.255565|3.268508|2.849154|2.356549|2.116931|2.172544|2.517515|2.988692|3.742002|2.474211|2.578814|7.197135|4.248021|0.040505|0.040824|0.038182|0.044433|0.044855|0.051039|0.050409|0.056173|0.056930|0.084863|0.070415|0.092302|0.110758|0.108111|0.143823|0.126990|0.300609|0.500000| |1.611681|1.812098|2.040514|2.373848|2.767934|0.077021|3.432319|3.730704|4.627790|5.466523|4.617148|3.724156|7.813687|4.406679|6.156361|6.412447|0.134406|8.857930|6.168357|5.386489|9.132942|0.208089|8.861165|17.518158|4.609907|3.732391|3.639515|2.968549|2.577459|2.196738|1.969927|1.982549|2.232087|2.605976|3.059477|3.439162|3.830485|8.027841|4.572747|0.043648|0.044720|0.041844|0.049408|0.050970|0.056925|0.054758|0.064022|0.067351|0.091469|0.091294|0.147071|0.221976|0.131210|0.123288|0.125404|0.173673|0.218633|0.500000| |1.793770|2.039868|2.356023|2.800567|3.433578|0.093818|4.463135|5.282570|6.932156|7.176341|5.433917|4.518912|7.990027|4.143127|5.293881|6.831279|0.143284|8.892646|5.865588|4.957372|7.648644|0.147138|8.997152|17.613660|4.133017|3.250111|3.003375|2.505634|2.264284|1.951778|1.792037|1.838918|2.078239|2.360769|2.792152|3.406395|3.392679|11.981816|5.764597|0.048932|0.049470|0.046061|0.055774|0.056572|0.065120|0.063889|0.075705|0.077519|0.127582|0.104272|0.121833|0.162800|0.127632|0.125268|0.110255|0.219178|0.208659|0.305357|0.500000| |1.258393|1.369981|1.512753|1.675704|1.898218|0.052579|2.154181|2.387997|2.715766|2.737344|2.394507|2.158849|4.048391|2.324209|2.821408|3.038235|0.077423|3.981171|4.184888|5.599300|12.437660|0.221370|7.332247|4.821136|17.612031|8.876584|6.954573|4.703678|3.970583|3.075828|2.690725|2.771681|3.333644|4.244458|5.809574|2.073859|2.154814|5.327707|3.354184|0.034718|0.034844|0.032981|0.037723|0.037885|0.042017|0.041786|0.046000|0.046226|0.064435|0.054908|0.077562|0.084842|0.096442|0.147341|0.142157|0.175377|0.235996|0.129159|0.114434|0.500000| |1.264943|1.381145|1.521230|1.692048|1.909356|0.051964|2.173985|2.475884|2.851609|2.786724|2.371657|2.139598|3.935431|2.273435|2.756479|3.112969|0.082095|4.134410|4.709441|7.058895|12.390852|0.181918|6.917491|4.557276|17.634710|8.827598|5.555369|4.177580|3.939160|3.058797|2.789089|3.027631|3.821575|4.710354|7.242632|2.088305|2.059170|5.902988|3.420245|0.035055|0.034747|0.033199|0.038389|0.037990|0.041767|0.042288|0.047105|0.046302|0.067838|0.053820|0.076384|0.079491|0.109909|0.222843|0.171594|0.203294|0.179041|0.112338|0.109906|0.301653|0.500000| |1.157910|1.257531|1.366225|1.507634|1.665618|0.046320|1.882962|2.018149|2.289871|2.428879|2.196634|1.952333|3.898284|2.324473|2.818342|2.797358|0.072101|3.463449|3.702894|4.599961|8.235206|0.205739|4.522161|3.825263|6.995798|8.771845|17.674421|9.034453|5.615664|4.151080|3.293662|3.131612|3.596845|4.912812|5.637744|2.063840|2.252284|4.314481|2.878299|0.031680|0.032145|0.030602|0.034586|0.035191|0.038065|0.037296|0.041341|0.042315|0.053415|0.050702|0.081226|0.085800|0.089887|0.110407|0.137359|0.105877|0.131031|0.113511|0.089438|0.203617|0.140737|0.500000| |1.024664|1.105099|1.182720|1.292148|1.397715|0.038725|1.555879|1.647932|1.841272|1.950500|1.798129|1.615984|3.240107|1.960440|2.289920|2.231648|0.059577|2.596991|2.835429|3.346667|5.019078|0.114926|2.950403|2.669722|4.108514|5.618341|9.019598|17.720046|8.830349|7.042101|4.695544|3.933660|4.147357|5.591950|4.938283|1.796470|1.942317|3.448933|2.417002|0.028019|0.028402|0.027299|0.030514|0.031008|0.032863|0.032271|0.035643|0.036381|0.043865|0.042534|0.067794|0.067424|0.073695|0.084010|0.106082|0.073913|0.082400|0.077738|0.064952|0.111035|0.096139|0.217865|0.500000| |0.925825|0.993386|1.052580|1.141873|1.219142|0.033567|1.342094|1.420687|1.570813|1.643261|1.521806|1.383385|2.734957|1.656778|1.885144|1.858124|0.050943|2.096867|2.319966|2.675319|3.714851|0.080280|2.265356|2.083337|3.009355|3.926722|4.695397|7.037822|8.833317|17.718385|8.994285|5.620181|4.925296|5.590653|4.150928|1.565510|1.638828|2.957290|2.121664|0.025374|0.025570|0.024805|0.027582|0.027833|0.029101|0.028809|0.031734|0.032073|0.038157|0.036565|0.056095|0.053917|0.062791|0.070196|0.085218|0.059176|0.062099|0.059061|0.051951|0.079148|0.076139|0.111508|0.213086|0.500000| |0.869383|0.929858|0.979896|1.058411|1.122272|0.030705|1.226412|1.303987|1.431771|1.475684|1.363811|1.251263|2.428660|1.464503|1.642390|1.649876|0.046043|1.835842|2.048169|2.337738|3.116692|0.064858|1.945545|1.792934|2.515702|3.128820|3.291850|4.147188|5.622699|9.012315|17.729925|8.831768|5.651182|4.926857|3.603921|1.414323|1.432895|2.719652|1.969009|0.023912|0.023914|0.023367|0.025959|0.025962|0.026950|0.026941|0.029621|0.029587|0.035351|0.033052|0.048662|0.046096|0.056700|0.063677|0.073624|0.052348|0.052719|0.049729|0.045428|0.065194|0.066950|0.079047|0.111305|0.216483|0.500000| |0.897102|0.960888|1.014719|1.097943|1.167165|0.031706|1.276249|1.375480|1.513220|1.533160|1.397460|1.285837|2.449587|1.468423|1.652717|1.707780|0.048187|1.917208|2.179478|2.536481|3.278354|0.065764|2.046104|1.853885|2.688164|3.288469|3.131550|3.600914|4.923225|5.648720|8.829910|17.730166|9.011588|5.622245|4.149352|1.432684|1.407741|2.930748|2.067879|0.024785|0.024568|0.024082|0.026956|0.026681|0.027752|0.028056|0.030926|0.030473|0.037633|0.033693|0.048619|0.045856|0.060815|0.071930|0.079512|0.056511|0.054694|0.050191|0.047187|0.067840|0.074726|0.074093|0.089700|0.124062|0.214169|0.500000| |0.997292|1.074483|1.145655|1.249498|1.344930|0.036381|1.485426|1.630359|1.816867|1.817807|1.621140|1.483123|2.796398|1.668498|1.917270|2.038974|0.057440|2.370022|2.773750|3.439518|4.359341|0.083896|2.634081|2.293721|3.749734|4.690241|3.931120|4.147646|5.585990|4.924824|5.622187|8.997448|17.712264|8.825408|7.040993|1.617088|1.566834|3.609581|2.397672|0.027619|0.027262|0.026626|0.030171|0.029712|0.031255|0.031782|0.035258|0.034485|0.044793|0.038385|0.055975|0.053168|0.076218|0.101989|0.108478|0.074145|0.069306|0.060661|0.057785|0.089953|0.108851|0.089578|0.095719|0.107047|0.124099|0.216524|0.500000| |1.124258|1.220369|1.319678|1.454965|1.597204|0.043230|1.792959|2.004040|2.279210|2.265430|1.970129|1.782329|3.346778|1.982745|2.352002|2.571240|0.070933|3.184374|3.828075|5.428497|7.091319|0.126405|3.942250|3.162412|7.037891|8.982444|5.617873|4.936070|5.597774|4.154481|3.943461|4.710628|7.076089|8.855586|17.691641|1.878776|1.828061|4.639738|2.850590|0.031133|0.030776|0.029788|0.034146|0.033681|0.036061|0.036623|0.040884|0.040033|0.054925|0.045495|0.067728|0.066059|0.099025|0.169537|0.167194|0.111988|0.101724|0.081504|0.077581|0.148103|0.220772|0.123667|0.107243|0.095840|0.089888|0.111626|0.214283|0.500000| |2.048109|2.431456|2.518341|3.070433|2.987636|0.078029|3.615591|3.352142|3.701957|4.714175|5.581379|4.571846|12.727228|8.851445|5.476951|4.680419|0.134078|3.430093|3.033290|2.456834|3.133444|0.065897|2.414405|2.955839|1.946808|1.830953|1.808851|1.684906|1.590459|1.472365|1.389826|1.398191|1.492348|1.603068|1.716666|17.583653|7.040542|5.609205|4.499796|0.053041|0.055280|0.054859|0.068202|0.073128|0.067292|0.063361|0.086923|0.097311|0.079267|0.126329|0.139835|0.124352|0.087966|0.063169|0.065027|0.064353|0.061581|0.082801|0.082804|0.052050|0.052140|0.051870|0.045705|0.040195|0.036503|0.036847|0.041140|0.047179|0.500000| |1.757167|2.039197|2.128706|2.540576|2.561650|0.067096|3.113283|3.086761|3.612694|4.642210|4.744488|3.711319|10.094408|8.809927|6.778973|5.463155|0.168995|3.981750|3.656681|2.871744|3.540654|0.075173|2.632738|3.217402|2.164734|2.064343|2.040839|1.907206|1.803980|1.664814|1.567174|1.575685|1.685336|1.817081|1.940589|17.555873|6.845296|5.812912|4.012874|0.046259|0.047473|0.047120|0.057521|0.059888|0.057010|0.054929|0.072498|0.077066|0.074234|0.097570|0.201586|0.140632|0.110730|0.072395|0.077331|0.069546|0.065843|0.089816|0.086077|0.056877|0.057531|0.058028|0.051524|0.045316|0.040995|0.041341|0.046277|0.053055|0.301027|0.500000| |2.021868|2.411246|2.562302|3.204107|3.243125|0.082050|4.167697|4.160308|4.989340|6.657267|6.756301|5.038043|12.527494|8.726522|6.731911|6.819078|0.220082|4.452984|3.887132|2.975314|3.662904|0.075577|2.843442|3.552978|2.222867|2.060066|1.990782|1.831574|1.738397|1.589638|1.503891|1.531175|1.655543|1.780840|1.936345|17.584900|5.498813|7.533424|4.982501|0.053275|0.054046|0.053615|0.068673|0.070336|0.067337|0.065832|0.093451|0.097206|0.096246|0.124723|0.166712|0.138646|0.115833|0.076718|0.077120|0.076915|0.070354|0.095052|0.099402|0.058497|0.060090|0.056565|0.048930|0.042904|0.039178|0.040285|0.046007|0.053779|0.302302|0.301125|0.500000| |1.745074|1.986900|2.138424|2.490931|2.634643|0.074044|3.147539|2.938747|3.287048|4.290340|5.013338|3.994109|13.112485|8.827472|6.981075|4.605189|0.110733|3.824233|3.223149|2.712429|3.744335|0.083576|2.893323|3.676846|2.291162|2.150075|2.219822|2.035048|1.837012|1.680516|1.539252|1.514026|1.618019|1.794887|1.928832|5.513624|17.575657|5.087885|4.031736|0.045664|0.048751|0.046113|0.053612|0.058769|0.060191|0.054670|0.066306|0.076608|0.070214|0.112424|0.169955|0.220203|0.085934|0.066718|0.072120|0.072153|0.076441|0.117191|0.099250|0.063072|0.058858|0.066522|0.056368|0.046629|0.040213|0.039210|0.043688|0.051445|0.143030|0.139982|0.122899|0.500000| |1.637256|1.861961|1.960930|2.276304|2.344183|0.064214|2.777849|2.666678|3.027631|3.885284|4.245800|3.396083|10.265505|8.823058|6.825614|4.477666|0.117099|3.644801|3.251200|2.699228|3.557169|0.078961|2.637895|3.245590|2.187811|2.103959|2.166276|2.025567|1.857912|1.717129|1.583495|1.556972|1.652743|1.815812|1.924539|6.881635|17.561515|4.840844|3.651228|0.042931|0.045214|0.043765|0.051106|0.055059|0.054216|0.050413|0.062262|0.069583|0.064577|0.093803|0.201064|0.175283|0.091154|0.066389|0.073582|0.066905|0.068244|0.098587|0.085467|0.058929|0.056533|0.063488|0.056049|0.047615|0.041519|0.040452|0.044592|0.051375|0.172932|0.203274|0.139849|0.300149|0.500000| |1.875365|2.161284|2.269654|2.659192|2.682255|0.074131|3.152545|2.865892|3.118266|3.978791|4.875560|4.063465|13.140745|8.854014|5.519888|4.059153|0.104702|3.231634|2.809073|2.358370|3.155791|0.068519|2.429096|2.992463|1.969115|1.861907|1.894553|1.763920|1.627743|1.508113|1.402017|1.387286|1.472817|1.605021|1.709833|6.977244|17.586175|4.775254|4.042738|0.048472|0.052038|0.050019|0.058629|0.065231|0.063201|0.057124|0.071473|0.084174|0.068552|0.119419|0.139750|0.145852|0.077755|0.059417|0.063006|0.062609|0.063724|0.089659|0.082768|0.053717|0.051594|0.055605|0.048689|0.041734|0.036882|0.036281|0.040061|0.046146|0.213492|0.169708|0.142467|0.301556|0.300822|0.500000| 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