Version2.1 2021-01-08T21:07:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2=[NH+]CC(=c2c1)C[C@@H]3C(=O)N(C(=O)N3)CC(=O)N4CCN(CC4)C(=O)c5cccs5 C63209034 RHF 6-31G(d) (6D,7F) c1ccc2=[NH+]CC(=c2c1)C[C@@H]3C(=O)N(C(=O)N3)CC(=O)N4CCN(CC4)C(=O)c5cccs5 C01[X(C23H24N5O4S1)] 165 C1 547 O=C(N1CCN(CC1)C(=O)c1cccs1)CN1C(=O)N[C@@H](C1=O)CC1=c2ccccc2=[NH+]C1 O=C(N1CCN(CC1)C(=O)c1cccs1)CN1C(=O)N[C@@H](C1=O)CC1=c2ccccc2=[NH+]C1 O=C(CN1C(=O)N[C@H](CC2=C3C=CC=CC3=[NH+]C2)C1=O)N4CCN(CC4)C(=O)c5sccc5 InChIKey=SNJIRZVUWFEDNS-GOSISDBHSA-O InChI=1S/C23H23N5O4S/c29-20(26-7-9-27(10-8-26)22(31)19-6-3-11-33-19)14-28-21(30)18(25-23(28)32)12-15-13-24-17-5-2-1-4-16(15)17/h1-6,11,18H,7-10,12-14H2,(H,25,32)/p+1/t18-/m1/s1 InChI=1/C23H23N5O4S/c29-20(26-7-9-27(10-8-26)22(31)19-6-3-11-33-19)14-28-21(30)18(25-23(28)32)12-15-13-24-17-5-2-1-4-16(15)17/h1-6,11,18H,7-10,12-14H2,(H,25,32)/p+1/t18-/m1/s1/fC23H24N5O4S/h24-25H/q+1 c1ccc2=[NH+]CC(=c2c1)C[C@@H]3C(=O)N(C(=O)N3)CC(=O)N4CCN(CC4)C(=O)c5cccs5 C01[X(C23H24N5O4S1)] 165 C01 547 O=C(N1CCN(CC1)C(=O)c1cccs1)CN1C(=O)N[C@@H](C1=O)CC1=c2ccccc2=[NH+]C1 O=C1N[C@@H](C(=O)N1C[C]([N]1CCN(CC1)C(=O)C1=[CH][CH]=[CH]S1)=O)CC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1 O=C(CN1C(=O)N[C@H](CC2=C3C=CC=C[C]3NC2)C1=O)N4CCN(CC4)C(=O)c5sccc5 InChIKey=LAIZJOMNISQKIS-GOSISDBHSA-N InChI=1S/C23H24N5O4S/c29-20(26-7-9-27(10-8-26)22(31)19-6-3-11-33-19)14-28-21(30)18(25-23(28)32)12-15-13-24-17-5-2-1-4-16(15)17/h1-6,11,18,24H,7-10,12-14H2,(H,25,32)/t18-/m1/s1 InChI=1/C23H24N5O4S/c29-20(26-7-9-27(10-8-26)22(31)19-6-3-11-33-19)14-28-21(30)18(25-23(28)32)12-15-13-24-17-5-2-1-4-16(15)17/h1-6,11,18,24H,7-10,12-14H2,(H,25,32)/t18-/m1/s1/f/h25H 3316.9145570420 -1854.005343 1-A 29998.5730 122 425 547 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12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 31.97207 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 3967.1336 53557.8624 54858.7648 1.00000 0.00068 -0.00195 -0.00071 0.99987 -0.01640 0.00194 0.01640 0.99986 1 0.02183 0.00162 0.00158 0.45492 0.03370 0.03290 11.89 17.03 27.59 44.26 51.09 56.71 78.55 91.54 98.29 101.71 129.45 145.98 170.62 202.39 222.92 248.85 271.71 283.70 298.42 342.48 366.76 420.97 427.51 462.31 471.46 519.62 558.58 574.77 614.53 620.16 657.89 673.02 683.27 708.58 718.76 728.28 764.69 783.44 794.40 827.19 836.41 865.38 875.69 887.58 898.88 907.79 959.15 996.78 999.63 1016.27 1034.20 1046.56 1099.06 1136.99 1161.96 1165.31 1186.97 1195.12 1218.29 1226.45 1234.18 1272.30 1322.57 1324.05 1330.32 1358.16 1369.67 1376.41 1407.05 1450.26 1464.82 1482.37 1504.17 1516.99 1518.42 1522.89 1532.40 1575.79 1616.22 1627.01 1632.85 1636.23 1641.94 1667.35 1685.18 1697.08 1705.15 1749.68 1752.68 1774.48 1809.55 1816.80 1820.10 1870.36 1875.78 1894.36 1907.61 1915.00 1915.82 1951.69 1973.39 1983.02 2001.00 2018.04 2019.97 2038.59 2073.74 2127.63 2152.54 2161.74 2172.96 2175.63 2178.16 2186.86 2208.17 2208.44 2228.74 2246.11 2253.26 2263.66 2269.06 2281.63 2285.40 2297.36 2322.18 2327.47 2342.10 2342.66 2357.15 2364.66 2368.33 2379.94 2384.74 2506.13 2527.70 2544.75 2657.33 2740.55 2772.98 2899.55 2992.41 4611.59 4643.93 4650.51 4658.07 4665.44 4667.61 4678.94 4720.22 4729.79 4753.73 4777.50 4818.01 4823.28 4823.91 4834.26 4879.64 4892.08 4902.13 4906.88 4919.45 4928.20 4955.88 5522.75 5566.86 0.493196 0.520126 0.521070 0.429657 -1853.512147 -1853.485217 -1853.484273 -1853.575686 3.066007D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE c1ccc2=[NH+]CC(=c2c1)C[C@@H]3C(=O)N(C(=O)N3)CC(=O)N4CCN(CC4)C(=O)c5cccs5 C63209034 RHF 6-31G(d) (6D,10F) C1 466.154901 |X|Y|Z| 39.856119 29.861213 165.885006 58.228624 29 6 7 16 23 5 1 |36.858105| |13.163055|36.858105| |7.702108|14.053038|36.858105| |6.812936|8.079237|13.457557|36.858105| |4.654107|5.258238|7.717770|14.488658|53.358707| |3.947893|4.640301|6.811047|9.269365|26.008062|0.500000| |4.104133|4.154596|5.197876|8.368543|17.925609|0.244006|36.858105| |5.138741|4.651422|5.289818|8.416005|11.257736|0.161765|12.715626|36.858105| |7.959062|6.887215|7.653189|13.185086|11.485900|0.164321|8.214366|14.054051|36.858105| |14.205727|7.863591|6.602950|7.632997|7.197373|0.117505|5.079273|7.429581|13.193045|36.858105| |4.143278|3.589606|3.799141|5.100737|6.925209|0.113305|7.264861|12.732495|7.395717|5.809037|36.858105| |3.690558|3.208873|3.329274|4.212798|5.698849|0.097383|5.466029|7.550412|5.607697|4.886242|12.366011|36.858105| |4.152950|3.480476|3.488356|4.282912|5.461412|0.093459|4.815190|6.774454|5.844065|5.568338|8.775877|17.564359|0.500000| |2.982829|2.607428|2.654722|3.189468|4.343427|0.077334|3.984253|4.948992|3.995025|3.738855|7.607200|12.493937|0.249347|36.858105| |2.895189|2.489748|2.482997|2.916773|3.892203|0.069788|3.459347|4.322637|3.659512|3.596736|6.420125|7.884287|0.190654|16.071155|73.516695| |2.554032|2.309062|2.387822|2.832721|3.978784|0.072650|3.618590|4.093936|3.348590|3.075408|5.511243|8.201424|0.176788|13.935939|14.783306|53.358707| |2.621287|2.425020|2.562664|3.076938|4.433084|0.081257|4.068516|4.371990|3.538285|3.130891|5.385834|8.195715|0.178292|8.369427|9.894094|18.711939|36.858105| |2.322472|2.193975|2.329481|2.735121|3.985378|0.075076|3.524830|3.588903|3.016278|2.689904|4.104827|5.503513|0.131970|5.590123|7.508874|11.308992|16.097687|73.516695| |3.182140|2.930247|3.149486|3.963291|5.737949|0.101119|5.562125|6.237214|4.719446|3.944641|7.587506|13.170012|0.251066|8.222000|9.768204|11.602562|13.734277|14.749693|53.358707| |2.185842|1.988020|2.032008|2.338284|3.258650|0.060725|2.843323|3.136161|2.693117|2.551960|3.954636|5.175048|0.126610|7.754986|11.678777|17.978303|7.741104|11.856413|7.216334|36.858105| |2.172559|1.962407|1.973429|2.225709|3.035172|0.056708|2.562032|2.859018|2.557132|2.498871|3.460725|4.597931|0.124280|6.168774|9.882704|10.724767|6.087445|9.948462|6.264050|12.385723|36.858105| |2.425107|2.166285|2.161121|2.436289|3.271258|0.060594|2.737971|3.123187|2.834349|2.804914|3.741260|5.253017|0.152434|6.527608|10.061744|10.038186|6.320648|9.891722|6.989391|8.066380|15.799235|73.516695| |1.904610|1.735269|1.737299|1.925793|2.623839|0.049630|2.172284|2.381172|2.171835|2.144547|2.795605|3.477063|0.095258|4.375263|7.503403|7.084060|4.368561|7.650739|4.754628|7.713081|14.187958|15.057090|53.358707| |1.836265|1.672422|1.655885|1.804989|2.429123|0.046141|1.967695|2.158954|2.020547|2.033100|2.465612|3.011420|0.085779|3.559842|6.217039|5.356198|3.520111|6.212714|4.072472|4.971920|7.851523|12.312500|17.702144|36.858105| |1.627312|1.505499|1.499251|1.621094|2.199015|0.042243|1.764093|1.893237|1.779695|1.776830|2.114245|2.516313|0.070927|2.868701|4.952901|4.374072|3.011117|5.549685|3.503114|3.951748|5.328672|8.475525|10.617388|12.515384|36.858105| |1.499108|1.392926|1.392699|1.507294|2.058368|0.039699|1.656825|1.763419|1.647769|1.636045|1.975680|2.298717|0.063551|2.652231|4.646476|4.063559|2.753234|5.083730|3.195392|3.752231|4.591693|6.929543|9.132093|7.729876|13.075117|53.358707| |1.535715|1.428942|1.440502|1.575811|2.173293|0.041868|1.773487|1.878053|1.726727|1.692306|2.132286|2.485461|0.067109|2.937855|5.104426|4.672841|3.105173|5.786601|3.494361|4.574797|5.236686|7.314683|10.549201|6.607677|7.888310|17.833004|36.858105| |1.708568|1.570328|1.579347|1.745706|2.399256|0.045740|1.985955|2.141670|1.947138|1.911076|2.502322|2.969271|0.079437|3.714582|6.556840|5.985281|3.695993|6.593584|4.075355|6.535545|7.655866|9.412577|17.798317|7.760284|6.651188|10.534501|12.447579|36.858105| |1.403259|1.302888|1.295219|1.391123|1.889943|0.036521|1.509833|1.609820|1.517750|1.520467|1.793918|2.045972|0.056873|2.342833|4.194884|3.477330|2.345757|4.258250|2.795365|3.110249|3.670599|5.742044|6.734946|5.822584|7.878209|18.831080|7.657934|5.716427|36.858105| |1.410649|1.304597|1.287537|1.374392|1.852459|0.035752|1.469844|1.577723|1.502075|1.520822|1.750313|1.990940|0.056086|2.259299|4.083459|3.276280|2.213832|3.968715|2.685635|2.857587|3.427999|5.568857|6.063943|5.678492|7.076626|11.506176|5.436665|4.697506|15.885169|73.516695| |1.287035|1.202065|1.199205|1.286187|1.756178|0.034096|1.401578|1.481052|1.394081|1.390113|1.643545|1.839971|0.050622|2.096015|3.767644|3.105401|2.101968|3.827355|2.520401|2.743548|3.045785|4.764961|5.263430|4.114543|5.035830|10.528531|6.305209|4.724017|12.786291|14.536292|36.858105| |1.226985|1.144945|1.138266|1.215928|1.655127|0.032157|1.316111|1.393125|1.317358|1.320439|1.542941|1.703237|0.046925|1.934174|3.525887|2.811331|1.893960|3.406469|2.305732|2.438032|2.655406|4.218676|4.416903|3.426272|3.882364|7.053496|4.571607|3.869601|7.612218|11.741185|14.108137|36.858105| |1.136530|1.067078|1.064615|1.135385|1.552164|0.030292|1.231573|1.292589|1.221787|1.219012|1.422610|1.552669|0.042533|1.746739|3.171782|2.540708|1.727874|3.123851|2.113945|2.172115|2.298394|3.673008|3.701151|2.785944|3.123558|5.445395|3.784471|3.225514|5.089863|7.966546|8.207084|13.316708|36.858105| |1.121933|1.058650|1.061706|1.134401|1.559451|0.030521|1.238768|1.290275|1.215120|1.203795|1.415539|1.548270|0.042205|1.733624|3.109173|2.556031|1.757105|3.218185|2.134995|2.188051|2.293444|3.648897|3.682154|2.726884|3.135672|5.547583|3.978392|3.232029|4.832879|7.190158|7.709700|8.260579|14.144934|36.858105| |1.210151|1.141066|1.147186|1.231131|1.695802|0.033128|1.352694|1.409297|1.321445|1.304038|1.551021|1.724777|0.047010|1.939406|3.432588|2.915004|2.013369|3.738113|2.405814|2.544901|2.721710|4.268966|4.517101|3.356102|4.121395|7.991112|5.625148|4.039390|6.645087|8.751860|10.958596|7.452381|7.451256|11.071442|388.023441| |17.757453|8.768392|5.584090|4.926468|5.019288|0.089892|3.356450|4.104883|5.627736|9.047982|3.560974|3.274914|0.103224|2.755297|4.853839|3.221955|2.393302|3.798417|3.843288|2.066519|2.083120|4.133949|2.513554|1.802231|1.596960|2.000357|1.493520|1.657723|1.385344|2.492318|1.269370|1.215128|1.123817|1.104817|8.444500|0.500000| |8.798234|17.723306|9.093515|5.704554|5.714902|0.108454|3.399656|3.684792|4.960847|5.656761|2.990061|2.736095|0.082205|2.289707|3.920976|2.797202|2.149778|3.505344|3.450041|1.800239|1.791143|3.499400|2.181995|1.559116|1.414085|1.783184|1.336244|1.457214|1.231797|2.199780|1.139074|1.088036|1.016102|1.007334|7.695351|0.215663|0.500000| |5.517979|8.945973|17.753886|8.755741|9.232240|0.192489|4.541597|4.291325|5.493231|4.813148|3.225654|2.883058|0.082728|2.355402|3.917801|2.944890|2.335626|3.844168|3.824783|1.864827|1.810659|3.495587|2.190691|1.538243|1.407318|1.785895|1.355958|1.473344|1.222254|2.157273|1.136556|1.079485|1.013826|1.013618|7.774740|0.123127|0.216808|0.500000| |3.553485|3.593096|4.371919|6.289041|12.298945|0.204491|17.556559|8.866949|6.204329|4.281109|6.519287|5.694395|0.135743|4.135161|6.145856|5.380939|4.747242|7.413054|9.122555|3.061154|2.736127|5.191361|3.133636|2.069034|1.863783|2.375670|1.878944|2.095961|1.575191|2.710427|1.459196|1.360381|1.272700|1.287163|10.072089|0.082957|0.083987|0.110064|0.500000| |3.574649|3.613827|4.398325|6.336005|12.349041|0.205404|17.542438|8.895008|6.249432|4.308955|6.475579|4.710190|0.113103|3.715035|5.887205|4.635922|3.702743|5.772970|6.426975|2.725767|2.411426|4.481219|2.814574|1.862307|1.678343|2.171659|1.718801|1.923633|1.460673|2.519975|1.367395|1.289441|1.212756|1.220315|9.420689|0.083402|0.084409|0.110606|0.300839|0.500000| |9.025654|5.585384|4.812091|5.490713|5.832557|0.098036|4.427427|6.566715|8.703085|17.741932|6.143784|5.303408|0.174377|4.188970|7.424710|4.501292|3.245112|4.880020|5.452204|2.750377|2.712831|5.448566|3.149575|2.192618|1.886985|2.360423|1.791856|2.049081|1.614892|2.881801|1.469632|1.398291|1.283838|1.261498|9.714829|0.215559|0.124027|0.105168|0.107309|0.107946|0.500000| |3.443315|3.106477|3.348538|4.396692|6.396487|0.108638|7.000538|8.992609|5.637041|4.493192|17.579039|8.859460|0.173493|7.079872|10.767323|7.628525|5.381885|7.402278|9.441646|4.040778|3.357448|6.182224|3.733158|2.377332|2.062101|2.665272|2.145822|2.518353|1.776817|3.054125|1.644806|1.545290|1.433783|1.432159|11.131772|0.083730|0.073461|0.081514|0.180573|0.197937|0.129034|0.500000| |4.342389|3.584359|3.621799|4.612120|5.900227|0.098761|5.520377|8.945546|6.810855|6.222147|17.596066|8.902032|0.215039|7.018425|12.401750|6.605877|4.432440|6.205695|7.609028|3.706552|3.322185|6.371483|3.711752|2.433404|2.069639|2.640241|2.077149|2.452378|1.781956|3.114847|1.633173|1.545857|1.421835|1.403728|10.854357|0.106169|0.083505|0.084929|0.134796|0.144024|0.203200|0.302261|0.500000| |3.275226|3.078810|3.346715|4.180108|6.054871|0.107617|5.538747|5.892382|4.770296|3.964637|6.120270|8.973051|0.221342|5.969622|7.842368|8.418345|9.530576|13.392524|25.978261|4.402774|4.102746|8.369560|4.380345|2.849891|2.493676|3.060347|2.417508|2.746257|1.969712|3.381676|1.772467|1.619455|1.487326|1.505751|12.082840|0.080216|0.074002|0.083366|0.193047|0.125035|0.108323|0.151401|0.131567|0.500000| |2.008314|1.858203|1.918552|2.199108|3.113517|0.058786|2.704834|2.875105|2.472304|2.312659|3.491445|4.369802|0.106862|5.753659|8.735712|12.626374|7.257242|13.056764|6.574226|17.653554|8.747104|10.991041|9.320863|4.544686|3.906329|5.210331|4.908279|6.529439|3.111914|4.962205|2.797470|2.453145|2.214642|2.273781|19.073723|0.052628|0.046983|0.049437|0.082171|0.072654|0.067961|0.101374|0.089461|0.114843|0.500000| |2.113560|1.912296|1.942683|2.224583|3.084036|0.057512|2.682159|2.979947|2.571874|2.464735|3.805377|4.645426|0.114093|7.168213|12.671415|12.605426|5.743448|8.827404|6.047063|17.635661|8.763155|11.068968|9.243184|4.567663|3.648641|4.915745|4.427995|6.598248|3.098667|5.070641|2.784914|2.520952|2.247163|2.237083|18.140172|0.055865|0.048237|0.049516|0.078414|0.072749|0.074543|0.109994|0.102730|0.103241|0.300540|0.500000| |1.799948|1.629065|1.600111|1.734395|2.317641|0.043990|1.868949|2.065810|1.948637|1.986053|2.363988|2.823077|0.080844|3.355485|6.106100|4.833815|3.114173|5.374428|3.707896|4.386345|6.292528|10.148992|12.397336|17.551373|8.869178|9.382214|5.750225|6.904046|6.103585|11.534564|4.270913|3.688172|2.921209|2.770466|23.470538|0.049489|0.042325|0.041238|0.053927|0.049406|0.060006|0.063249|0.066000|0.071719|0.109363|0.119120|0.500000| |1.975607|1.791902|1.766555|1.922010|2.567209|0.048594|2.068087|2.286709|2.158826|2.186341|2.589904|3.227870|0.094550|3.703811|6.342089|5.463730|3.701610|6.481225|4.361888|4.741704|7.665505|14.681122|12.506553|17.692332|8.835043|7.636991|4.966978|5.669937|4.519689|8.159269|3.385837|2.902941|2.423682|2.381801|20.403998|0.053909|0.046344|0.045423|0.060501|0.053719|0.065545|0.068137|0.070755|0.086210|0.118301|0.117128|0.301162|0.500000| |1.568642|1.452649|1.438026|1.540007|2.076066|0.039984|1.647136|1.768187|1.682976|1.695817|1.950909|2.292324|0.065433|2.559986|4.462079|3.795266|2.643330|4.833736|3.162422|3.289948|4.282580|7.227096|7.679054|8.875023|17.683927|12.491312|5.706111|4.961270|7.599653|14.394627|4.838572|3.845904|3.074136|3.037229|27.588114|0.043057|0.038128|0.037579|0.048056|0.043486|0.049970|0.052542|0.053394|0.063204|0.089444|0.085737|0.215990|0.209807|0.500000| |1.635802|1.525012|1.529429|1.657275|2.263088|0.043613|1.815595|1.928157|1.806274|1.784952|2.135021|2.560063|0.071837|2.864683|4.817738|4.472549|3.191897|6.082717|3.665494|3.977689|5.253195|8.506174|9.525685|8.883532|17.553294|12.563662|7.159341|5.873342|5.876445|9.249318|4.284860|3.352328|2.820846|2.915622|27.444869|0.044323|0.039749|0.040003|0.053834|0.047796|0.052182|0.057937|0.057271|0.073322|0.113009|0.098417|0.174057|0.215631|0.301031|0.500000| |1.437833|1.342527|1.354815|1.478385|2.044117|0.039528|1.664872|1.752413|1.612285|1.578756|1.982618|2.261150|0.060678|2.658297|4.680149|4.161939|2.764651|5.123350|3.162007|3.963929|4.224650|6.073610|7.681484|4.947327|5.682478|12.379288|17.685954|8.912738|7.204494|8.959592|7.319052|5.249794|4.457576|4.820208|49.847397|0.038885|0.034963|0.035540|0.048766|0.045208|0.046334|0.055924|0.053885|0.060665|0.118958|0.111030|0.129025|0.109065|0.127378|0.144982|0.500000| |1.538929|1.442196|1.464063|1.605687|2.231252|0.043134|1.823084|1.908444|1.747067|1.695032|2.149713|2.520763|0.067643|2.926663|4.947114|4.783808|3.296135|6.383315|3.645765|4.609117|5.133079|7.282942|9.398539|5.787776|7.096083|12.514985|17.562675|8.856797|5.776373|7.858787|5.010257|3.779588|3.294850|3.578920|35.936095|0.041348|0.037425|0.038401|0.054223|0.048961|0.049443|0.060283|0.057374|0.070605|0.145793|0.117915|0.132915|0.130538|0.144818|0.214183|0.302567|0.500000| |1.723377|1.590003|1.612485|1.798258|2.497435|0.047617|2.093514|2.239588|2.004627|1.940393|2.644885|3.116153|0.081050|3.971510|6.920414|6.683385|4.030380|7.209723|4.332878|7.786019|7.226279|8.820098|12.352324|5.629326|4.986806|7.676164|8.912370|17.646448|4.455959|6.661400|4.003310|3.396390|2.964694|3.021155|26.132525|0.046106|0.040820|0.041809|0.061670|0.056796|0.057556|0.075448|0.071311|0.079701|0.237858|0.227973|0.141129|0.127250|0.109264|0.132125|0.214470|0.217799|0.500000| |1.672728|1.529131|1.527067|1.679109|2.291192|0.043641|1.886889|2.051153|1.879502|1.865946|2.400773|2.788521|0.075202|3.497985|6.460813|5.322861|3.245183|5.635801|3.712989|5.450229|6.189384|8.247460|12.427661|6.892758|5.756169|9.358886|8.849933|17.517270|5.954704|8.976370|5.013172|4.301003|3.482486|3.349423|28.407884|0.045391|0.039525|0.039524|0.054620|0.051024|0.055987|0.066985|0.066591|0.069457|0.142935|0.167264|0.201532|0.141792|0.128736|0.133877|0.217869|0.173910|0.302342|0.500000| |1.247041|1.158394|1.145822|1.221133|1.653279|0.032048|1.311965|1.398055|1.327938|1.340631|1.550541|1.707878|0.047337|1.941922|3.579346|2.781307|1.861357|3.310745|2.285484|2.394274|2.632021|4.227123|4.344809|3.439656|3.744368|6.403038|4.092765|3.697341|6.876140|12.354831|8.950081|17.761187|8.581406|5.737826|37.725806|0.034451|0.030608|0.030120|0.037486|0.035670|0.039613|0.042933|0.043465|0.044557|0.065722|0.069289|0.106876|0.081438|0.105249|0.088279|0.124245|0.094130|0.089496|0.117821|0.500000| |1.088075|1.022289|1.018377|1.082936|1.478456|0.028887|1.169613|1.227143|1.163500|1.163567|1.346629|1.456760|0.039933|1.631274|2.978323|2.349082|1.598182|2.873595|1.973300|1.982600|2.078742|3.354140|3.281494|2.463315|2.692613|4.495875|3.162280|2.807700|4.066281|6.706341|5.718591|8.597397|17.757125|8.906960|37.695940|0.029950|0.027098|0.026969|0.033438|0.032078|0.034030|0.037722|0.037531|0.038580|0.055825|0.057301|0.072247|0.060440|0.074197|0.068046|0.100996|0.077741|0.072751|0.084714|0.200881|0.500000| 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