Version2.0 2020-01-26T21:50:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc2=[NH+]C(=O)[C@H](C=c2c1)[C@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)C(=O)c5ccco5 C39710387 RHF 6-31G(d) (6D,7F) CCc1ccc2=[NH+]C(=O)[C@H](C=c2c1)[C@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)C(=O)c5ccco5 C01[X(C26H35N7O3)] 207 C1 610 CCc1ccc2=[NH+]C(=O)[C@H](C=c2c1)[C@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(CC1)C(=O)c1ccco1 CCc1ccc2=[NH+]C(=O)[C@H](C=c2c1)[C@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(CC1)C(=O)c1ccco1 CCC1=CC2=C[C@H]([C@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)C(=O)c5occc5)C(=O)[NH+]=C2C=C1 InChIKey=RDSLCKXNJROJGG-UEVCKROQSA-P InChI=1S/C26H33N7O3/c1-5-17-8-9-20-18(15-17)16-19(24(34)27-20)22(23-28-29-30-33(23)26(2,3)4)31-10-12-32(13-11-31)25(35)21-7-6-14-36-21/h6-9,14-16,19,22-23H,5,10-13H2,1-4H3,(H,28,30)/p+2/t19-,22-,23-/m1/s1 InChI=1/C26H33N7O3/c1-5-17-8-9-20-18(15-17)16-19(24(34)27-20)22(23-28-29-30-33(23)26(2,3)4)31-10-12-32(13-11-31)25(35)21-7-6-14-36-21/h6-9,14-16,19,22-23H,5,10-13H2,1-4H3,(H,28,30)/p+2/t19-,22-,23-/m1/s1/fC26H35N7O3/h27,30-31H/q+2 CCc1ccc2=[NH+]C(=O)[C@H](C=c2c1)[C@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)C(=O)c5ccco5 C01[X(C26H35N7O3)] 207 C01 610 CCc1ccc2=[NH+]C(=O)[C@H](C=c2c1)[C@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(CC1)C(=O)c1ccco1 CCC1=CC2=C[C@@H](C(=O)N[C@H]2CC1)[C@H]([C@@H]1N=NNN1C(C)(C)C)[NH]1CCN(CC1)C(=O)c1ccco1 CCC1=CC2=C[C@H]([C@H]([C@@H]3N=NNN3C(C)(C)C)[NH]4CCN(CC4)C(=O)c5occc5)C(=O)N[C@H]2CC1 InChIKey=RAOKRPHRSICKRJ-IRMYBRCSSA-N InChI=1S/C26H38N7O3/c1-5-17-8-9-20-18(15-17)16-19(24(34)27-20)22(23-28-29-30-33(23)26(2,3)4)31-10-12-32(13-11-31)25(35)21-7-6-14-36-21/h6-7,14-16,19-20,22-23,31H,5,8-13H2,1-4H3,(H,27,34)(H,28,30)/t19-,20+,22-,23-/m1/s1 InChI=1/C26H38N7O3/c1-5-17-8-9-20-18(15-17)16-19(24(34)27-20)22(23-28-29-30-33(23)26(2,3)4)31-10-12-32(13-11-31)25(35)21-7-6-14-36-21/h6-7,14-16,19-20,22-23,31H,5,8-13H2,1-4H3,(H,27,34)(H,28,30)/t19-,20+,22-,23-/m1/s1/f/h27,30H 4034.9421453758 -1610.0546878 1-A 22738.8101 131 479 610 |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| -20.80868 -20.79175 -20.69988 -15.93269 -15.90371 -15.88505 -15.85538 -15.83726 -15.82399 -15.77531 -11.63738 -11.60236 -11.57160 -11.56701 -11.54926 -11.54635 -11.52933 -11.52787 -11.52493 -11.51440 -11.50684 -11.49900 -11.48674 -11.48152 -11.47676 -11.47602 -11.46778 -11.44401 -11.43911 -11.42654 -11.41715 -11.40117 -11.39749 -11.39306 -11.39126 -11.37319 -1.70531 -1.68525 -1.63226 -1.57662 -1.56712 -1.56006 -1.49139 -1.44784 -1.42507 -1.41024 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12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8639.9985 34290.6048 39449.3570 0.99999 -0.00010 -0.00444 0.00006 0.99995 -0.00983 0.00444 0.00983 0.99994 1 0.01002 0.00253 0.00220 0.20888 0.05263 0.04575 18.37 32.01 39.41 42.74 60.60 68.65 87.45 90.01 94.45 104.33 125.13 144.66 175.61 186.73 215.82 226.05 242.13 266.26 289.55 301.93 315.55 329.31 343.02 356.42 374.67 399.73 412.46 422.64 430.61 441.92 457.64 477.75 512.69 533.57 540.01 550.86 565.30 579.04 609.68 642.00 665.08 699.56 703.81 723.08 729.18 741.52 776.90 800.43 829.27 852.53 861.66 882.22 918.21 926.60 931.19 946.60 965.43 1030.97 1044.20 1089.28 1096.53 1117.71 1162.21 1170.82 1200.55 1218.01 1223.00 1239.90 1262.39 1274.96 1294.17 1309.81 1321.76 1351.75 1371.67 1376.88 1392.63 1442.97 1448.49 1451.10 1452.60 1461.53 1478.83 1484.73 1485.91 1500.01 1506.13 1516.91 1519.47 1553.01 1567.97 1582.88 1597.88 1600.28 1625.77 1639.75 1648.12 1654.05 1662.65 1666.09 1673.21 1687.98 1701.78 1721.73 1729.23 1751.38 1771.62 1811.47 1826.08 1835.93 1851.86 1876.40 1881.19 1887.54 1906.91 1935.75 1942.04 1945.37 1956.08 1986.06 1988.99 1993.02 2004.36 2012.81 2026.46 2047.16 2065.13 2077.37 2087.49 2106.31 2133.49 2150.21 2158.95 2179.61 2184.64 2200.08 2208.26 2217.79 2231.44 2241.98 2245.34 2249.02 2252.07 2258.57 2270.34 2278.77 2281.82 2292.08 2327.63 2333.25 2338.96 2344.38 2345.89 2346.42 2353.87 2358.26 2359.50 2362.84 2370.77 2375.95 2378.97 2379.61 2389.13 2392.13 2399.53 2480.39 2583.11 2584.57 2644.74 2670.33 2809.73 2891.88 4551.43 4594.77 4606.82 4612.67 4619.95 4624.26 4636.32 4642.61 4677.91 4697.41 4699.43 4718.96 4729.01 4731.33 4734.33 4736.15 4745.99 4752.79 4753.81 4758.70 4768.81 4818.30 4851.60 4862.45 4873.89 4875.76 4897.35 4901.16 4923.93 4972.30 4992.56 5017.37 5285.37 5444.49 5468.23 0.650272 0.681506 0.682450 0.585286 -1609.404415 -1609.373182 -1609.372238 -1609.469402 3.258897D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2020 DUDE CCc1ccc2=[NH+]C(=O)[C@H](C=c2c1)[C@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)C(=O)c5ccco5 C39710387 RHF 6-31G(d) (6D,10F) C1 493.280138 |X|Y|Z| 63.235716 132.689499 33.666407 65.614314 28 6 7 8 20 7 1 |36.858105| |12.416704|36.858105| |7.497826|12.587389|36.858105| |5.919166|7.464626|13.199471|36.858105| |4.248229|4.958297|7.647927|13.911940|36.858105| |3.704078|4.356860|6.655574|8.008245|13.670214|36.858105| |2.953937|3.332961|4.530253|5.267298|7.987442|14.180917|53.358707| |2.754653|3.038712|3.975097|4.842637|7.393137|9.376292|25.852530|0.500000| |2.577903|2.876744|3.719283|3.964424|5.166100|7.849493|18.804320|0.263141|36.858105| |2.240418|2.450371|3.039964|3.266321|4.130071|5.467013|11.618079|0.220643|16.026177|73.516695| |2.644085|2.999889|3.845274|3.752921|4.455430|6.609208|10.469762|0.157224|12.501089|14.225188|36.858105| |2.449825|2.820769|3.527352|3.426206|3.978430|5.530611|8.588827|0.137625|9.118719|12.432641|17.495580|0.500000| |3.249358|3.831243|5.188814|4.640675|5.193119|7.909670|9.373640|0.140427|7.522562|9.294411|12.698391|0.258259|36.858105| |4.000932|4.929955|7.790368|6.895045|7.761929|13.116894|10.728788|0.159009|6.617321|8.328697|7.591965|0.173620|14.189822|36.858105| |5.402729|7.556367|14.183261|8.021654|6.732259|7.618941|6.957206|0.116840|4.398418|6.138528|4.941587|0.123255|7.771251|13.095979|36.858105| |2.353277|2.571811|3.125848|3.009930|3.417422|4.528394|6.935876|0.117219|7.361913|11.415095|12.138117|0.244229|7.471416|5.122643|3.874053|36.858105| |2.291425|2.518921|2.992725|2.796581|3.065563|3.928341|5.678545|0.097675|5.473711|8.626102|8.826597|0.219508|6.880599|4.669302|3.744517|17.610585|0.500000| |2.532647|2.675776|3.237075|3.110211|3.481299|4.470681|6.497723|0.112480|5.998038|9.311375|7.550779|0.153089|6.499380|5.021486|3.954879|12.172524|0.244443|36.858105| |2.849647|3.025501|3.679417|3.385008|3.663126|4.692626|6.266836|0.106636|5.338556|7.885340|7.113493|0.147310|7.638327|5.787388|4.684692|9.073984|0.226071|17.591215|0.500000| |2.634641|2.744239|3.390703|3.443608|4.047234|5.213855|8.029963|0.141962|7.069368|11.031435|6.826964|0.137713|5.856560|5.181138|3.970014|7.748415|0.156983|13.058366|0.255370|53.358707| |2.391965|2.424899|2.889791|2.962836|3.401287|4.056052|6.162738|0.117362|5.133696|8.894510|4.824268|0.106625|4.271681|3.944629|3.246045|5.658533|0.124909|8.669889|0.182570|21.281731|53.358707| |2.202020|2.220062|2.571688|2.559138|2.831123|3.313588|4.862662|0.092220|4.092568|7.163409|4.195517|0.096356|3.787145|3.391871|2.903730|5.395441|0.127189|8.518344|0.180375|12.206561|19.437111|53.358707| |2.233853|2.298470|2.667281|2.573395|2.811300|3.381245|4.883026|0.089409|4.277085|7.247985|4.894663|0.111743|4.389107|3.669845|3.119980|7.276105|0.178124|13.166754|0.253087|11.277038|11.498751|18.249397|53.358707| |2.230730|2.260630|2.544369|2.389748|2.515326|2.926878|4.030202|0.074314|3.344778|5.581204|3.879802|0.092668|3.810705|3.272723|2.956576|5.175285|0.144503|7.559157|0.207878|7.410727|7.564019|10.750847|17.236497|36.858105| |2.557934|2.522088|2.809112|2.601527|2.673648|3.038398|4.014522|0.074140|3.159900|5.137425|3.574015|0.084804|3.780190|3.428456|3.227064|4.272950|0.117036|6.219004|0.198183|7.031446|7.137017|8.867886|10.264719|12.423263|36.858105| |2.171621|2.248432|2.505784|2.299653|2.388609|2.794232|3.802841|0.069354|3.184604|5.261900|3.914721|0.097253|3.914144|3.237748|2.968422|5.269004|0.168136|6.345208|0.188903|5.980810|5.646454|6.955395|10.585299|12.440701|7.545534|36.858105| |1.926329|1.928542|2.127199|2.031310|2.133672|2.415957|3.370607|0.063852|2.764633|4.786448|3.057953|0.075599|2.941654|2.609642|2.395972|3.910393|0.108621|5.021324|0.131366|5.667649|6.254545|9.078072|10.633811|12.436409|7.594822|7.641078|36.858105| |2.007504|2.169359|2.572558|2.550891|2.915182|3.676958|5.934786|0.107421|6.317354|12.200472|7.476505|0.190567|4.909670|3.826350|3.031062|12.590486|0.255218|7.259522|0.152841|8.133549|6.884854|6.718445|8.214856|4.315749|3.483063|4.310439|3.627944|53.358707| |2.000424|2.143699|2.555732|2.598588|3.033875|3.808967|6.452849|0.120201|7.030726|15.578205|6.855711|0.167291|4.568072|3.755084|2.952353|9.257282|0.182315|6.835783|0.141130|9.043560|7.862198|7.170955|7.864708|4.033232|3.356909|3.792245|3.476631|25.650437|0.500000| |1.876449|2.059102|2.420930|2.407920|2.740581|3.399555|5.480863|0.100849|5.625845|11.166570|6.453329|0.204303|4.391203|3.503580|2.822006|7.497463|0.191168|4.796371|0.114045|5.786794|5.012395|4.826111|5.590058|3.283866|2.780858|3.428813|2.863954|17.059713|0.259023|36.858105| |1.647846|1.783420|2.056207|2.073893|2.345464|2.788745|4.475256|0.086544|4.258033|8.988216|4.362646|0.131453|3.279940|2.784993|2.323810|4.913277|0.127500|3.714540|0.089117|4.726056|4.361178|4.259088|4.685899|2.820585|2.402046|2.884916|2.592435|10.335889|0.198699|12.530348|36.858105| |1.543346|1.649967|1.873499|1.869271|2.075651|2.427276|3.773426|0.073093|3.459905|6.983032|3.652960|0.105813|2.892521|2.466700|2.109539|4.409571|0.119586|3.541120|0.084963|4.372952|4.183215|4.295214|4.783316|2.934530|2.430401|3.028626|2.791342|8.937922|0.165750|7.837869|13.201666|53.358707| |1.602297|1.693254|1.926599|1.920293|2.133353|2.502092|3.882510|0.075004|3.573198|7.172072|3.771663|0.102999|2.995760|2.548520|2.174319|4.923054|0.129504|4.178395|0.096343|5.083277|5.024795|5.377518|6.019325|3.543278|2.818802|3.532302|3.433581|10.347665|0.197133|6.670791|7.976203|17.950834|36.858105| |1.807425|1.919721|2.210820|2.169479|2.408488|2.902148|4.460602|0.083300|4.242951|8.077027|4.861366|0.127711|3.755650|3.052671|2.558687|7.518936|0.198378|5.972453|0.130837|6.485196|6.122925|6.740493|8.547716|4.681060|3.517259|4.765468|4.208765|17.037507|0.254087|7.785678|6.671445|10.683346|12.533869|36.858105| |1.389428|1.479302|1.656748|1.656639|1.821354|2.082584|3.190182|0.062752|2.808667|5.601187|2.909671|0.084812|2.404747|2.103710|1.838130|3.338311|0.092003|2.816112|0.069520|3.555135|3.458025|3.553467|3.855858|2.462811|2.086069|2.544874|2.404494|6.038919|0.116959|5.205206|7.936228|18.575491|7.605263|5.113426|36.858105| |1.344132|1.436361|1.606025|1.616662|1.780386|2.019377|3.101686|0.061623|2.693651|5.403316|2.733548|0.080964|2.274557|2.017342|1.767829|2.995063|0.081986|2.529211|0.063244|3.261240|3.152434|3.172118|3.389977|2.180467|1.889685|2.244937|2.113532|5.238306|0.103826|4.718226|7.248628|11.542871|5.420725|4.076407|15.946035|73.516695| |1.298468|1.370432|1.516684|1.507190|1.636329|1.848182|2.777142|0.054681|2.389868|4.652339|2.498505|0.071589|2.133246|1.882261|1.673916|2.895134|0.081243|2.549039|0.063692|3.194407|3.166407|3.337961|3.613647|2.381478|2.009191|2.472266|2.399971|4.951119|0.095750|3.926547|5.060199|10.470034|6.273523|4.440698|12.965411|14.632787|36.858105| |1.189801|1.250842|1.372156|1.366706|1.474862|1.642998|2.448732|0.048625|2.062904|3.990249|2.131120|0.061025|1.857152|1.665019|1.498947|2.404688|0.067402|2.164122|0.054857|2.754635|2.749069|2.883044|3.066308|2.060374|1.773208|2.127690|2.099047|3.950964|0.077789|3.114863|3.867708|6.917233|4.411484|3.390103|7.536729|11.664914|14.160867|36.858105| |1.149130|1.200955|1.307885|1.294979|1.385701|1.535823|2.261183|0.044774|1.886542|3.593200|1.967665|0.055773|1.745011|1.568535|1.426760|2.238780|0.063416|2.060891|0.052674|2.602519|2.619561|2.793933|2.977727|2.048031|1.759064|2.124995|2.130740|3.575076|0.069983|2.720199|3.184335|5.570081|3.873353|3.129157|5.201907|7.963429|8.582118|13.313296|36.858105| 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|17.593028|8.827988|5.492215|4.554905|3.466845|3.082148|3.457471|0.066423|2.258862|3.543134|2.326145|0.060710|2.799794|3.317073|4.303191|2.101570|0.057414|2.242097|0.069488|3.135946|2.884422|2.694126|2.738959|2.031493|2.314182|1.995554|1.779097|2.473165|0.050131|1.712367|1.517387|1.945836|1.478860|1.655496|1.296843|2.234594|1.218511|1.122214|1.087433|1.153494|2.211212|0.500000| |17.568193|8.757926|6.769658|5.276321|4.050417|3.702428|4.053364|0.076381|2.644232|4.076038|2.752243|0.069754|3.412221|4.119315|5.504040|2.497401|0.067665|2.759181|0.087802|3.878905|3.530104|3.274619|3.327280|2.479104|2.925348|2.393744|2.119415|2.863838|0.058075|1.935713|1.692685|2.173278|1.674135|1.906310|1.430794|2.444069|1.341929|1.225851|1.188265|1.269973|2.450027|0.301580|0.500000| |17.549830|8.715092|6.749518|6.387394|4.545567|3.753110|4.101603|0.079689|2.578508|4.014237|2.565885|0.065774|3.070831|3.809864|4.800331|2.277721|0.060748|2.460179|0.075482|3.577255|3.279722|2.977982|2.963813|2.145015|2.447447|2.055481|1.869933|2.677860|0.055103|1.837094|1.626045|2.066722|1.578502|1.766583|1.369346|2.361379|1.277539|1.172798|1.130223|1.197636|2.307825|0.302702|0.301292|0.500000| |8.832280|17.582491|8.959246|5.556955|4.136613|3.904057|4.182905|0.077038|2.746331|4.171704|2.963094|0.078329|3.834081|4.678888|7.262771|2.575377|0.071547|2.655728|0.084467|3.593892|3.173274|2.958625|3.120340|2.290876|2.548979|2.327984|1.947223|2.939236|0.058489|2.058385|1.775172|2.248559|1.691050|1.926779|1.482391|2.552687|1.378259|1.257444|1.211134|1.290017|2.498797|0.213386|0.210626|0.172361|0.500000| |8.822754|17.546758|8.951613|6.895777|4.664473|3.965704|4.237085|0.080415|2.674663|4.107191|2.737950|0.072932|3.374666|4.248417|5.862489|2.339240|0.063607|2.388169|0.073423|3.351253|2.987936|2.735182|2.816738|2.021302|2.215703|2.015942|1.749583|2.741714|0.055491|1.942994|1.700119|2.132827|1.593763|1.784392|1.415405|2.460621|1.309699|1.201154|1.150604|1.215274|2.350242|0.213709|0.172672|0.209146|0.304517|0.500000| |6.120056|7.029063|8.800854|17.708575|9.083404|5.697507|5.791253|0.114544|3.316021|5.049697|3.111459|0.080269|3.677089|4.962766|5.709762|2.582364|0.067135|2.675791|0.079827|4.028276|3.576818|3.123648|3.102961|2.139537|2.333242|2.053915|1.853391|3.055939|0.063790|2.135322|1.875591|2.317000|1.745197|1.942963|1.525473|2.657972|1.395905|1.275297|1.211120|1.275715|2.484382|0.134071|0.141837|0.203551|0.141556|0.201819|0.500000| |3.671183|4.070437|5.510434|8.950253|17.743152|8.872748|9.809709|0.219977|4.737857|7.153055|3.879481|0.097956|4.187715|5.543534|4.881394|3.076813|0.076299|3.127105|0.088738|5.046909|4.393539|3.637143|3.531979|2.309345|2.431953|2.173829|1.999634|3.716054|0.080363|2.588783|2.270227|2.729130|2.055774|2.274526|1.774257|3.104444|1.592725|1.443299|1.352152|1.420596|2.800589|0.085807|0.096711|0.112448|0.095651|0.110613|0.218941|0.500000| |3.184250|3.751540|4.763621|4.018841|4.194442|5.617843|6.747224|0.109215|5.430369|7.453878|8.632282|0.209842|17.687865|9.110089|7.155809|6.832977|0.204465|6.024742|0.211894|6.713173|5.178104|4.860982|5.869168|3.974908|3.934910|4.356663|3.025306|6.171280|0.112661|4.106339|3.095399|3.823170|2.904729|3.679934|2.352772|3.929433|2.116928|1.844711|1.749697|1.915132|3.883033|0.077473|0.094069|0.081505|0.109206|0.091012|0.091239|0.096330|0.500000| |5.083277|6.911244|9.040984|5.649334|4.879790|5.507135|5.661964|0.097020|3.843361|5.517389|4.566689|0.116833|7.126150|8.779118|17.721405|3.785874|0.106290|3.849995|0.130406|4.967386|4.126733|3.822626|4.218004|3.037494|3.327210|3.154652|2.444843|4.005253|0.077928|2.747277|2.259243|2.831168|2.142751|2.539751|1.817420|3.092670|1.668491|1.494415|1.431230|1.542557|3.041642|0.117768|0.148988|0.119501|0.218684|0.148416|0.124458|0.106321|0.217683|0.500000| |1.981451|1.994455|2.281164|2.290953|2.533091|2.912470|4.335730|0.084174|3.649665|6.669370|3.651640|0.086765|3.240557|2.929021|2.536017|4.628589|0.111456|6.251655|0.137245|8.951275|13.347829|25.903954|12.569699|6.366525|5.156137|4.452396|6.431002|6.329802|0.140865|3.414082|3.145792|4.429753|4.201837|4.966888|2.716884|4.277674|2.582415|2.232352|2.170559|2.442578|4.941372|0.049953|0.059546|0.054944|0.054257|0.050717|0.057803|0.067538|0.085307|0.068244|0.500000| |2.951763|2.933288|3.314487|2.987480|3.032875|3.488193|4.456242|0.080637|3.451154|5.421337|4.006569|0.093527|4.516258|4.108319|3.917314|4.589946|0.126141|6.692295|0.249715|7.496123|6.959015|7.704163|9.087509|8.673829|17.535678|6.861387|5.480515|4.818410|0.094131|2.860692|2.417574|3.257003|2.713284|3.405722|2.047613|3.328012|1.946348|1.717855|1.689269|1.884850|3.720894|0.073035|0.095422|0.077323|0.082763|0.070183|0.073177|0.074894|0.132736|0.113644|0.123685|0.500000| |2.441932|2.381864|2.576484|2.363927|2.383952|2.651037|3.473442|0.064781|2.701002|4.430697|3.042744|0.074366|3.250161|2.991188|2.912576|3.549048|0.100234|4.683400|0.147444|5.437650|5.530078|6.665640|7.514107|8.855211|17.585084|6.865391|7.013596|4.064658|0.079467|2.466889|2.164399|3.010120|2.530977|3.076261|1.930915|3.118814|1.885128|1.680362|1.684589|1.894146|3.669731|0.062387|0.077765|0.064402|0.067655|0.058347|0.059680|0.060543|0.095878|0.084972|0.116237|0.303860|0.500000| |2.540243|2.457463|2.739225|2.602098|2.695986|3.010765|4.012290|0.075401|3.103089|5.110240|3.343427|0.079077|3.475052|3.265463|3.060543|3.883711|0.102239|5.644310|0.166982|7.243705|8.003344|9.934141|9.334670|8.759232|17.600476|5.484207|6.874598|4.463858|0.090776|2.624021|2.307718|3.163713|2.707385|3.281709|2.007982|3.250474|1.932512|1.716117|1.698723|1.895169|3.708325|0.063655|0.080638|0.068766|0.067746|0.060263|0.065428|0.069056|0.096733|0.085280|0.159206|0.300706|0.302310|0.500000| |1.972276|2.058624|2.294938|2.134617|2.240668|2.625348|3.656498|0.067159|3.129847|5.304019|3.837111|0.098051|3.639393|2.984418|2.697130|5.362708|0.176985|5.768087|0.156626|5.542038|5.277764|6.474085|9.702413|8.757997|5.479477|17.563352|6.958952|6.444566|0.112102|3.772882|3.201386|4.737758|4.129780|5.747198|2.891448|4.441284|2.836860|2.399256|2.406495|2.855961|5.839582|0.050598|0.059498|0.052183|0.059042|0.051939|0.053196|0.057211|0.110883|0.078818|0.121166|0.139830|0.140476|0.122537|0.500000| |2.098265|2.148349|2.337799|2.130553|2.175133|2.485570|3.335442|0.061517|2.720026|4.514552|3.255654|0.082681|3.345463|2.866800|2.722315|4.080249|0.128207|4.745246|0.143908|4.900881|4.731282|5.709313|7.636745|8.855869|6.889787|17.598031|7.014537|4.727565|0.086730|2.898284|2.505919|3.597643|3.019037|3.828441|2.284797|3.614770|2.258778|1.978050|2.003026|2.316626|4.541827|0.054181|0.064484|0.054875|0.062307|0.053583|0.053441|0.055199|0.104060|0.081405|0.104669|0.170688|0.205540|0.140585|0.302483|0.500000| |2.386037|2.516452|2.836151|2.546273|2.629106|3.129413|4.174264|0.074591|3.494420|5.588322|4.537567|0.112073|4.768664|3.790098|3.471242|5.984711|0.204430|6.889646|0.232419|6.254124|5.545092|6.338977|9.351882|8.683934|6.842874|17.524710|5.498121|6.086833|0.107418|3.621328|2.937599|4.063843|3.363355|4.561539|2.496557|3.967459|2.376908|2.047940|2.018668|2.309695|4.662781|0.060482|0.073181|0.062010|0.073158|0.062094|0.062328|0.065333|0.156618|0.104869|0.110390|0.204009|0.169035|0.139974|0.299789|0.304301|0.500000| |1.909134|1.888443|2.081653|2.016267|2.126489|2.378601|3.333578|0.063992|2.694962|4.709905|2.877262|0.070759|2.763090|2.511894|2.307562|3.560910|0.095510|4.631200|0.119430|5.684563|6.692946|10.013848|9.438119|8.743303|6.968964|5.516190|17.588757|4.573485|0.092660|2.668290|2.454625|3.560006|3.212787|3.784340|2.274629|3.587029|2.264017|2.000596|2.023405|2.314293|4.499315|0.048925|0.058351|0.052013|0.052416|0.047697|0.051435|0.055895|0.077227|0.064481|0.209214|0.140598|0.175490|0.207161|0.141001|0.142781|0.122285|0.500000| |1.872188|1.862587|2.019773|1.910133|1.975678|2.206589|3.030851|0.057547|2.443986|4.203752|2.712297|0.068166|2.676073|2.402225|2.259370|3.346811|0.095406|4.107744|0.113010|4.718436|5.062409|6.704144|7.651631|8.839726|6.887439|7.034695|17.590439|4.205194|0.081700|2.536309|2.310479|3.383616|2.962937|3.529570|2.185818|3.444168|2.208144|1.958955|2.012361|2.328358|4.470257|0.048468|0.057378|0.050184|0.052647|0.046959|0.048734|0.051384|0.077716|0.064858|0.131919|0.141045|0.209230|0.168029|0.173780|0.213391|0.142487|0.303283|0.500000| |1.781581|1.802467|1.991605|1.914443|2.026834|2.304513|3.270093|0.062213|2.730834|4.826452|3.017882|0.075857|2.814566|2.468829|2.242894|3.944564|0.110516|4.726026|0.118796|5.309595|5.806116|8.181832|9.808150|8.771070|5.502413|6.934886|17.557114|5.271801|0.101982|3.053940|2.816323|4.267895|3.985830|4.846471|2.692026|4.127887|2.730905|2.360069|2.416189|2.867200|5.666576|0.045856|0.053803|0.048145|0.050577|0.045822|0.048593|0.053087|0.080166|0.063407|0.174430|0.122232|0.141908|0.140803|0.207975|0.171880|0.140618|0.300020|0.301861|0.500000| |1.857527|2.049676|2.381731|2.317381|2.576131|3.162628|4.857103|0.088541|4.707309|8.612931|5.891770|0.196041|4.333416|3.394733|2.803357|6.944694|0.209083|4.488819|0.111671|5.154429|4.479453|4.440967|5.313965|3.270859|2.757633|3.597352|2.839659|12.338836|0.181883|17.618938|8.815560|9.593604|5.878832|7.142540|4.992783|7.975746|3.918918|3.112813|2.758087|3.046374|6.831610|0.047348|0.053295|0.050012|0.057694|0.053663|0.057142|0.066829|0.118854|0.077606|0.086625|0.079153|0.068892|0.070902|0.112099|0.084889|0.107269|0.072101|0.070957|0.084298|0.500000| |1.973248|2.193507|2.619740|2.642143|3.069316|3.879574|6.491209|0.118354|6.935376|13.928648|7.445162|0.261342|4.819730|3.892548|3.052596|6.904958|0.168431|4.539969|0.110861|5.799701|4.896132|4.518400|5.067811|3.009546|2.645437|3.096348|2.603989|12.220140|0.224866|17.749413|8.983753|7.752625|4.999674|5.633655|4.266273|7.324251|3.304889|2.730682|2.395449|2.562665|5.554372|0.049769|0.056022|0.053869|0.060453|0.057833|0.064631|0.080625|0.119674|0.080962|0.087644|0.076951|0.065154|0.069988|0.091391|0.073672|0.092519|0.068336|0.064591|0.075419|0.298402|0.500000| |1.576836|1.716345|1.963679|1.979187|2.221278|2.604395|4.116669|0.080150|3.773194|7.729155|3.867860|0.121130|3.017986|2.601774|2.203127|4.096531|0.110036|3.164600|0.078434|4.054498|3.737308|3.638357|3.978009|2.476354|2.151618|2.568438|2.286442|7.568766|0.145376|8.995768|17.672989|12.514937|5.737054|4.990326|7.607573|14.786711|4.838079|3.854044|3.114822|3.215170|7.215768|0.040540|0.044676|0.043175|0.047584|0.045822|0.050006|0.059911|0.079838|0.059683|0.074258|0.060555|0.054516|0.057355|0.078502|0.063089|0.073303|0.060195|0.057562|0.068396|0.215109|0.217187|0.500000| |1.642724|1.767521|2.045848|2.100548|2.409294|2.845094|4.690286|0.093163|4.446592|10.104305|4.192233|0.121835|3.153907|2.749974|2.282616|4.550770|0.112640|3.616666|0.085883|4.859035|4.558735|4.335354|4.567519|2.711197|2.343669|2.683029|2.512469|9.279897|0.209074|8.860370|17.487613|12.302977|7.072270|5.778628|6.570857|11.380146|4.477930|3.580320|2.959596|3.092213|6.915774|0.041919|0.046765|0.045420|0.048391|0.046933|0.052984|0.065775|0.080807|0.060780|0.090062|0.065359|0.058378|0.063641|0.081033|0.065031|0.075429|0.067407|0.061881|0.075172|0.173235|0.219191|0.303513|0.500000| |1.510903|1.584568|1.779921|1.763531|1.932756|2.231433|3.387145|0.065714|3.015019|5.885553|3.205094|0.087363|2.658776|2.290363|1.995526|4.113519|0.112381|3.697402|0.087524|4.470750|4.526649|5.021353|5.598506|3.472834|2.739591|3.490802|3.533998|7.590689|0.144723|4.982244|5.722004|12.413257|17.713609|9.047802|7.064202|8.799882|7.165482|4.935858|4.552594|5.738594|15.608801|0.038964|0.043967|0.041273|0.044131|0.041437|0.044824|0.051763|0.072870|0.055110|0.111134|0.072014|0.069509|0.072963|0.115688|0.084587|0.089755|0.091210|0.085600|0.118130|0.131475|0.109649|0.127715|0.143712|0.500000| |1.597335|1.677495|1.914851|1.936970|2.174582|2.534500|4.002607|0.078804|3.664297|7.648425|3.648522|0.097528|2.893785|2.516230|2.137253|4.578730|0.114466|4.083949|0.092957|5.294848|5.409705|5.652139|5.893164|3.388928|2.757840|3.221645|3.322051|9.358640|0.209134|5.828248|7.132073|12.348973|17.454241|8.859928|6.369637|8.863233|5.302338|4.019611|3.520117|3.950447|9.256319|0.040859|0.046294|0.044067|0.046125|0.043943|0.049077|0.058898|0.076307|0.057772|0.126898|0.073493|0.068302|0.075376|0.100663|0.077088|0.085234|0.089377|0.078965|0.105208|0.134911|0.131180|0.144647|0.210424|0.302368|0.500000| |1.849737|1.937825|2.224560|2.180236|2.407904|2.877552|4.360213|0.081722|4.030326|7.510762|4.531418|0.113429|3.664564|3.028862|2.564055|7.039716|0.180393|6.842185|0.143900|7.239394|7.230658|8.778773|11.760527|5.905651|4.135326|5.534090|5.385328|12.271230|0.218383|5.643692|4.973079|7.701120|8.824742|17.769053|4.150829|6.059132|3.830244|3.046095|2.901908|3.434450|7.656262|0.046983|0.054724|0.050292|0.053896|0.049684|0.054335|0.063129|0.099929|0.070727|0.183456|0.107212|0.098442|0.107592|0.184206|0.120176|0.138374|0.133017|0.118443|0.178211|0.145623|0.126138|0.109389|0.129089|0.216044|0.213342|0.500000| |1.788206|1.910475|2.179296|2.101801|2.294489|2.750632|4.107451|0.076020|3.809683|6.951549|4.610716|0.126010|3.716702|2.978221|2.542482|6.938774|0.217565|5.368593|0.126492|5.607059|5.194640|5.751333|7.559747|4.592159|3.444546|5.186930|4.089177|12.357760|0.180396|7.198304|5.937389|9.707604|8.856450|17.626880|4.949081|7.026191|4.450347|3.399471|3.193235|3.838293|9.010218|0.045733|0.052407|0.048108|0.053895|0.049304|0.052303|0.059663|0.105475|0.071478|0.114933|0.093477|0.085559|0.086783|0.186469|0.115953|0.139527|0.098730|0.098495|0.130889|0.219810|0.145495|0.133001|0.135062|0.215467|0.173535|0.300798|0.500000| 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