Version2.2 2021-02-10T14:59:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 17-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN(c1ccccc1)C(=O)[C@@H]2CC(=O)N(C2)CCC3=c4cc(ccc4=[NH+]C3)Cl C63557741 RHF 6-31G(d) (6D,7F) CCN(c1ccccc1)C(=O)[C@@H]2CC(=O)N(C2)CCC3=c4cc(ccc4=[NH+]C3)Cl C01[X(C23H25Cl1N3O2)] 156 C1 489 CCN(C(=O)[C@@H]1CC(=O)N(C1)CCC1=c2cc(Cl)ccc2=[NH+]C1)c1ccccc1 CCN(C(=O)[C@@H]1CC(=O)N(C1)CCC1=c2cc(Cl)ccc2=[NH+]C1)c1ccccc1 CCN(C(=O)[C@H]1CN(CCC2=C3C=C(Cl)C=CC3=[NH+]C2)C(=O)C1)c4ccccc4 InChIKey=XRUPHHJWXPKETB-QGZVFWFLSA-O InChI=1S/C23H24ClN3O2/c1-2-27(19-6-4-3-5-7-19)23(29)17-12-22(28)26(15-17)11-10-16-14-25-21-9-8-18(24)13-20(16)21/h3-9,13,17H,2,10-12,14-15H2,1H3/p+1/t17-/m1/s1 InChI=1/C23H24ClN3O2/c1-2-27(19-6-4-3-5-7-19)23(29)17-12-22(28)26(15-17)11-10-16-14-25-21-9-8-18(24)13-20(16)21/h3-9,13,17H,2,10-12,14-15H2,1H3/p+1/t17-/m1/s1/fC23H25ClN3O2/h25H/q+1 CCN(c1ccccc1)C(=O)[C@@H]2CC(=O)N(C2)CCC3=c4cc(ccc4=[NH+]C3)Cl C01[X(C23H25Cl1N3O2)] 156 C01 489 CCN(C(=O)[C@@H]1CC(=O)N(C1)CCC1=c2cc(Cl)ccc2=[NH+]C1)c1ccccc1 CCN([C]1[CH][CH][CH][CH][CH]1)C(=O)[C@H]1CN(C(=O)C1)CCC1=[C]2[CH]=[C]([CH]=[CH][C]2[NH]C1)Cl CCN([C]1[CH][CH][CH][CH][CH]1)C(=O)[C@H]2CN(CCC3=C4C=C(Cl)C=C[C]4NC3)C(=O)C2 InChIKey=VZLBZMFDKXRIEJ-QGZVFWFLSA-N InChI=1S/C23H25ClN3O2/c1-2-27(19-6-4-3-5-7-19)23(29)17-12-22(28)26(15-17)11-10-16-14-25-21-9-8-18(24)13-20(16)21/h3-9,13,17,25H,2,10-12,14-15H2,1H3/t17-/m1/s1 InChI=1/C23H25ClN3O2/c1-2-27(19-6-4-3-5-7-19)23(29)17-12-22(28)26(15-17)11-10-16-14-25-21-9-8-18(24)13-20(16)21/h3-9,13,17,25H,2,10-12,14-15H2,1H3/t17-/m1/s1 2714.5237989888 -1657.9074037 1-A 21577.8790 108 381 489 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.93838 -20.63005 -20.59584 -15.78085 -15.69251 -15.66332 -11.48853 -11.45503 -11.44725 -11.44581 -11.43487 -11.42726 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0.8562 0.8492 0.8552 0.7985 0.8535 0.8553 0.8130 0.7680 0.8413 0.7530 0.4812 0.6712 0.7971 0.0827 0.7623 0.7458 0.6463 0.7945 0.6431 0.4514 0.3446 0.8239 0.8071 0.5470 0.3927 0.6930 0.8532 0.7910 0.1350 0.8200 0.4274 0.6804 0.6781 0.6474 0.4923 0.8445 0.8384 0.8233 0.8294 0.7288 0.1675 0.4615 0.5984 0.6058 0.7243 0.8569 0.1027 0.5850 0.5715 0.4197 0.6758 0.1797 0.8560 0.1266 0.8496 0.6064 0.3366 0.8031 0.6289 0.5710 0.7933 0.5289 0.7621 0.1854 0.4877 0.4082 0.2199 0.7291 0.3045 0.7057 0.8422 0.6559 0.7046 0.6781 0.8564 0.4645 0.7969 0.8529 0.4686 0.3013 0.8211 0.4379 0.8282 0.8291 0.6900 0.8526 0.8488 0.5826 0.7398 0.7962 0.7372 0.8570 0.3172 0.3564 0.4953 0.5729 0.5460 0.8571 0.8518 0.8210 0.4967 0.7317 0.8104 0.6532 0.3736 0.6827 0.4019 0.8051 0.7245 0.5706 0.7909 0.8300 0.4161 0.8541 0.8044 0.6566 0.3905 0.7461 0.8406 0.8561 0.7868 0.3497 0.8568 0.7856 0.5496 0.4440 0.6695 0.0794 0.3188 0.1804 0.4090 0.1713 0.8426 0.7819 0.8425 0.4100 0.2403 0.8571 0.6311 0.6223 0.6669 0.4797 0.8428 0.8293 0.8420 0.8242 0.7685 0.2137 0.3008 0.8463 0.3377 0.4687 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 6 6 7 6 6 6 6 6 6 6 8 6 1 6 6 8 7 6 6 6 6 6 6 6 6 6 6 7 1 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 34.96885 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 4731.0553 36450.2807 38833.2365 0.99997 -0.00729 0.00411 0.00725 0.99993 0.00888 -0.00417 -0.00885 0.99995 1 0.01831 0.00238 0.00223 0.38147 0.04951 0.04647 18.77 25.92 32.95 53.69 58.95 68.90 86.50 105.35 127.97 138.72 164.89 169.59 182.55 233.89 238.61 280.04 304.67 330.64 341.86 394.30 403.09 426.66 472.44 483.74 495.98 504.13 555.20 560.70 581.31 656.88 664.33 724.60 740.76 762.09 776.25 807.69 823.20 840.15 872.37 912.63 924.85 971.13 977.75 991.74 1023.10 1061.25 1119.62 1128.08 1170.44 1182.74 1185.99 1195.27 1215.16 1230.33 1250.56 1292.51 1326.38 1339.02 1368.52 1407.79 1453.62 1461.10 1477.01 1501.27 1509.61 1534.19 1550.00 1573.82 1580.09 1583.74 1622.49 1624.86 1626.40 1634.38 1649.53 1674.42 1690.54 1695.39 1696.54 1720.10 1731.30 1748.16 1786.96 1796.57 1813.64 1827.07 1862.25 1874.86 1880.24 1909.19 1917.03 1926.96 1947.09 1997.89 2017.62 2020.81 2027.17 2038.94 2062.81 2072.32 2093.79 2110.74 2124.72 2145.04 2178.75 2182.19 2202.56 2221.42 2243.01 2258.98 2276.42 2285.45 2303.91 2306.18 2320.96 2329.28 2339.43 2349.21 2364.68 2369.05 2384.45 2398.42 2408.67 2432.92 2489.72 2534.83 2573.63 2599.68 2650.09 2773.41 2800.04 4616.00 4643.06 4661.10 4663.84 4672.89 4675.99 4692.41 4708.67 4709.46 4726.20 4733.40 4738.26 4758.96 4766.55 4773.44 4773.84 4838.42 4847.49 4861.59 4874.07 4887.01 4887.44 4894.41 4914.69 5571.21 0.479527 0.504511 0.505456 0.419885 -1657.427877 -1657.402892 -1657.401948 -1657.487519 2.870065D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE CCN(c1ccccc1)C(=O)[C@@H]2CC(=O)N(C2)CCC3=c4cc(ccc4=[NH+]C3)Cl C63557741 RHF 6-31G(d) (6D,10F) C1 410.163530 |X|Y|Z| 45.057703 28.648436 136.845506 56.109126 24 6 7 21 3 |36.858105| |12.486960|36.858105| |7.611030|13.001784|53.358707| |5.835478|7.719502|18.043331|36.858105| |5.231297|5.619261|10.584947|13.753501|36.858105| |3.956333|4.155627|6.976862|7.943831|13.754825|36.858105| |3.448933|3.798603|6.160764|6.872034|7.933675|13.750559|36.858105| |3.606883|4.288062|6.989015|7.939738|6.876102|7.945656|13.750896|36.858105| |4.490914|5.957788|10.631985|13.751602|7.940483|6.880968|7.937456|13.754805|36.858105| |5.597156|7.594067|19.114334|7.952444|6.023164|4.295142|3.801410|4.174272|5.707160|36.858105| |4.284469|5.281654|11.548478|7.074497|5.945231|4.442502|3.926576|4.207663|5.421105|15.860264|73.516695| |5.184985|6.479351|10.447695|5.010756|4.168626|3.229843|2.928783|3.181575|4.067944|12.453439|14.369675|36.858105| |6.347953|7.345518|9.770964|4.687037|3.997959|3.103055|2.792922|3.000320|3.785504|8.753385|10.578620|17.628836|0.500000| |4.080122|5.272945|7.773357|4.151401|3.387640|2.776004|2.640374|2.958497|3.738398|7.477882|10.600531|12.351495|0.245613|36.858105| |3.287101|3.844130|5.529717|3.198844|2.776206|2.344193|2.222907|2.423518|2.911879|5.145298|8.196371|7.908083|0.182575|12.608572|36.858105| |2.798557|3.217686|4.505435|2.719881|2.385997|2.065402|1.988412|2.170132|2.552655|3.941376|6.477144|5.320305|0.132865|7.821765|15.826668|73.516695| |3.290892|3.654171|5.398449|3.152706|2.839925|2.381762|2.206644|2.344798|2.778838|5.213357|8.601206|8.125691|0.188583|8.191279|14.081520|14.976594|53.358707| |3.933672|4.357054|6.918166|3.892045|3.533676|2.851670|2.565492|2.694124|3.247623|7.503361|12.221816|12.375813|0.247250|7.871753|8.098104|9.678120|17.768086|36.858105| |2.680344|2.873894|4.195867|2.586491|2.402006|2.072612|1.929414|2.021722|2.324507|3.832244|6.684014|5.082311|0.127372|5.170617|7.900322|12.274993|18.012359|7.442429|36.858105| |2.504236|2.614390|3.644499|2.264059|2.115508|1.845055|1.725394|1.803585|2.054068|3.150009|5.332081|4.104340|0.111817|4.234667|6.089151|10.846990|10.516341|5.196167|12.281473|36.858105| |2.093012|2.178693|3.043118|1.946529|1.835913|1.632637|1.540959|1.604960|1.797195|2.574841|4.464658|3.153790|0.085252|3.308703|4.442167|8.523888|6.907267|3.818051|7.530518|12.731646|36.858105| |1.913457|2.019294|2.819839|1.824242|1.709370|1.535240|1.466695|1.537641|1.713089|2.361408|4.123600|2.827580|0.075563|3.088341|4.089944|8.423665|5.827476|3.279725|5.755687|7.431907|14.033014|36.858105| |1.923045|2.071595|2.887810|1.866598|1.723429|1.550339|1.497279|1.588619|1.776956|2.409580|4.193672|2.877878|0.075989|3.315287|4.432579|10.033955|5.754897|3.207480|5.166064|5.884776|7.450849|13.195203|36.858105| |1.711010|1.840902|2.563365|1.685605|1.562167|1.422469|1.385183|1.469327|1.625310|2.104997|3.694541|2.435315|0.064445|2.786360|3.492225|7.629097|4.495420|2.651298|3.844334|4.181826|5.157682|8.005221|14.208434|36.858105| |1.545206|1.639535|2.283854|1.519536|1.426039|1.308550|1.272058|1.337311|1.463851|1.861079|3.289964|2.116726|0.056454|2.343264|2.845191|5.879214|3.802566|2.320878|3.284981|3.606810|4.656426|6.906018|7.835251|13.163995|36.858105| |1.532779|1.606409|2.239981|1.490908|1.412367|1.294957|1.249713|1.303357|1.423600|1.829104|3.239365|2.082908|0.055902|2.246771|2.727184|5.458368|3.783451|2.327306|3.369564|3.810311|5.294802|7.678053|6.586091|7.717767|14.063171|36.858105| |1.688202|1.760868|2.458364|1.618137|1.534603|1.394191|1.334032|1.388063|1.526771|2.029853|3.579712|2.356925|0.063412|2.512915|3.137983|6.214823|4.502278|2.703538|4.239653|5.110083|8.421215|13.225877|7.612350|6.828972|8.079244|13.463064|36.858105| |1.681444|1.728045|2.412755|1.591679|1.526108|1.386295|1.316509|1.358150|1.489080|1.989493|3.512631|2.301155|0.062494|2.377329|2.917874|5.543861|4.347054|2.679608|4.130463|5.074713|8.264083|8.438377|5.279231|4.660495|5.255981|7.712364|14.473694|53.358707| |1.560808|1.594303|2.224168|1.480843|1.429162|1.306802|1.241986|1.275666|1.388960|1.818414|3.222526|2.070628|0.056428|2.120018|2.537104|4.767142|3.759915|2.385906|3.450422|4.067702|5.820261|5.916620|4.223481|3.951115|4.636817|6.801547|9.261157|26.015074|0.500000| |1.895278|1.934050|2.700857|1.758228|1.687751|1.515913|1.425752|1.467753|1.622317|2.251722|3.945290|2.663702|0.072845|2.693335|3.370277|6.217490|5.277271|3.200843|5.293365|7.212353|12.712869|8.215905|5.083246|4.114467|4.157090|5.200552|8.375919|17.930758|0.243949|36.858105| |1.650934|1.800394|2.498738|1.656977|1.521468|1.394968|1.375698|1.473673|1.625749|2.024095|3.549553|2.296485|0.060546|2.693777|3.227161|7.107045|3.962741|2.405572|3.159723|3.270326|3.639823|4.755722|7.097079|11.026697|7.023186|4.761419|4.221326|4.459203|0.081051|3.020283|448.794386| |17.553018|8.837715|7.561975|4.555430|4.126346|3.344060|3.021077|3.178152|3.823551|4.390341|6.223925|4.331760|0.147654|3.662404|3.035083|4.714926|4.067901|3.403063|2.481454|2.382265|2.008519|1.845633|1.859288|1.662404|1.504022|1.489919|1.634514|2.213478|0.042027|1.824088|12.929521|0.500000| |17.584303|8.810095|9.365699|6.251947|6.193853|4.660388|3.906649|3.921627|4.707807|5.007299|7.256421|4.330445|0.136789|3.470093|2.859497|4.386199|3.942754|3.475261|2.419357|2.248961|1.912490|1.756442|1.759555|1.579880|1.438761|1.430501|1.567219|2.132508|0.040655|1.754372|12.264709|0.301471|0.500000| |17.544375|8.769734|9.271146|5.093574|4.808539|3.640506|3.116319|3.190710|3.890265|5.790813|7.888679|5.784234|0.211116|4.240314|3.525446|5.243089|5.003788|4.532400|2.974159|2.780097|2.282746|2.050560|2.031729|1.788925|1.618307|1.618433|1.802497|2.464524|0.046560|2.070719|13.649676|0.300948|0.301433|0.500000| |8.880097|17.619311|12.592332|7.503585|5.342155|4.206698|4.057682|4.797915|6.741026|5.808803|7.955367|4.925265|0.146601|4.442000|3.332323|5.138994|4.231818|3.562707|2.519732|2.315900|1.971674|1.853948|1.918400|1.727944|1.543439|1.504105|1.630722|2.168840|0.041034|1.760562|13.758791|0.213855|0.212266|0.173151|0.500000| |8.831027|17.628918|12.388744|5.722979|4.375229|3.414069|3.199112|3.628228|4.854899|7.119959|8.789654|7.435032|0.250100|6.549559|4.539864|6.690921|5.608561|4.698174|3.152756|2.896983|2.377347|2.205074|2.284244|2.010672|1.769434|1.724319|1.896620|2.514157|0.047007|2.073823|15.802457|0.213335|0.173146|0.209167|0.306258|0.500000| |5.562212|5.406255|9.736845|8.934201|17.727794|8.902215|5.641131|4.954487|5.651894|6.061382|10.523325|4.354985|0.118477|3.376004|2.827585|4.281500|4.056612|3.811870|2.526824|2.225858|1.917216|1.763002|1.755833|1.581602|1.449078|1.446293|1.583629|2.161910|0.041324|1.773245|12.219003|0.118910|0.185493|0.152189|0.133689|0.119153|0.500000| |3.518102|3.517969|5.661349|5.652117|8.931277|17.723271|8.912110|5.648069|4.956611|3.660829|6.797436|2.876307|0.077535|2.472183|2.141537|3.377587|3.001602|2.625108|1.951965|1.748995|1.558519|1.462124|1.465345|1.348171|1.249425|1.242946|1.337898|1.821671|0.035203|1.462329|10.562768|0.084154|0.115568|0.092379|0.097429|0.082283|0.214960|0.500000| |2.927737|3.145671|4.907533|4.951995|5.644375|8.913673|17.723742|8.913971|5.645786|3.141973|5.809061|2.517884|0.067047|2.306589|1.982818|3.193088|2.682875|2.255062|1.750823|1.577376|1.423517|1.360838|1.387901|1.292934|1.194287|1.174009|1.246978|1.676640|0.032418|1.326098|10.334087|0.073011|0.091386|0.074416|0.093221|0.075559|0.124053|0.214799|0.500000| |3.102662|3.662824|5.673481|5.650045|4.954104|5.647585|8.910296|17.723519|8.929279|3.529906|6.336811|2.816588|0.073926|2.711691|2.252116|3.646233|2.931796|2.415493|1.878147|1.687569|1.516506|1.465958|1.524270|1.421438|1.295003|1.256348|1.328427|1.761714|0.033835|1.387866|11.556897|0.078254|0.091812|0.076774|0.115288|0.089430|0.107558|0.124118|0.214743|0.500000| |4.247512|5.976363|9.802729|8.931663|5.650899|4.955941|5.641895|8.901981|17.713976|5.523002|9.034335|4.158214|0.106713|4.079225|3.098995|4.873750|3.891296|3.245442|2.373862|2.104053|1.841282|1.770283|1.860396|1.704011|1.521880|1.467916|1.568484|2.064401|0.039173|1.645664|13.838798|0.103746|0.117178|0.102270|0.196211|0.144552|0.124378|0.107583|0.124058|0.214945|0.500000| |3.638256|4.768525|7.547121|4.283192|3.434579|2.859459|2.776241|3.171719|4.023183|7.281280|11.493459|8.706544|0.174723|17.546818|9.041736|12.013570|8.840218|6.480320|4.583073|3.681296|3.022989|2.899772|3.165861|2.725964|2.295086|2.178368|2.395278|3.060665|0.056059|2.495359|21.674461|0.090466|0.089178|0.102105|0.117391|0.153186|0.092497|0.070092|0.067308|0.081453|0.124955|0.500000| |4.235019|5.615992|7.359380|3.968319|3.202611|2.655854|2.563258|2.909405|3.680656|6.090238|8.522695|8.569728|0.219924|17.617844|8.864658|12.386800|8.228498|5.702769|4.263428|3.800249|3.037926|2.877554|3.128197|2.671304|2.246580|2.138622|2.364178|3.033799|0.055514|2.496675|21.173649|0.109558|0.097873|0.118108|0.135054|0.213332|0.087561|0.065576|0.062427|0.074945|0.114718|0.301961|0.500000| |4.010739|4.117320|6.278907|3.626605|3.443210|2.785276|2.459822|2.524905|2.984739|6.178316|10.051000|8.708613|0.226090|5.731589|5.969730|7.913621|12.344072|17.588982|6.651319|5.136167|3.764751|3.136142|2.963921|2.466591|2.204315|2.250473|2.637910|3.655534|0.066911|3.278312|17.748158|0.096514|0.099059|0.134975|0.093226|0.120240|0.107022|0.072556|0.060435|0.062705|0.081263|0.133504|0.128933|0.500000| |3.515757|3.925282|6.604269|3.943008|3.642809|2.972834|2.671973|2.784953|3.314236|7.349481|14.563873|8.758559|0.176111|6.486640|6.493860|8.454966|12.293295|17.630111|6.575770|4.466809|3.518741|3.097869|3.041270|2.562875|2.264695|2.269218|2.604974|3.511267|0.064336|3.019529|18.800940|0.084207|0.089562|0.109144|0.091890|0.112838|0.108402|0.076186|0.065322|0.069239|0.090852|0.171658|0.133259|0.300318|0.500000| |2.618298|2.749430|4.080858|2.559380|2.433354|2.104612|1.936641|1.998914|2.274662|3.735416|6.715982|4.697614|0.118296|4.395816|5.813019|8.928936|12.586779|7.297272|17.607069|8.751401|6.432952|4.881601|4.220437|3.325683|2.974686|3.131228|3.919217|5.480749|0.095638|5.255249|22.158426|0.066740|0.066652|0.081547|0.066901|0.081613|0.072134|0.055610|0.048936|0.051316|0.063470|0.111278|0.101576|0.200237|0.194169|0.500000| |2.427542|2.645617|3.895301|2.451276|2.264922|1.981853|1.869920|1.971249|2.249981|3.524205|6.317008|4.429651|0.108638|4.836684|7.321059|12.878447|12.534313|5.914565|17.585920|8.778343|7.284223|6.436186|6.139280|4.484045|3.721914|3.727949|4.615989|5.788807|0.098070|5.055621|29.143611|0.062701|0.061492|0.073177|0.065660|0.080253|0.065177|0.051772|0.047378|0.051344|0.064365|0.126869|0.111596|0.141422|0.159991|0.302543|0.500000| |2.597299|2.745082|3.740289|2.297475|2.113425|1.839998|1.733894|1.831658|2.101197|3.184872|5.259817|4.238095|0.117766|4.640968|6.934290|13.424364|10.198291|4.937018|8.871720|17.627873|9.075764|6.873594|6.258817|4.370659|3.611471|3.657456|4.667065|5.972355|0.099846|5.596188|28.179851|0.069473|0.063943|0.079276|0.067732|0.086523|0.061187|0.048118|0.043946|0.047780|0.060514|0.109053|0.119867|0.131090|0.115176|0.175024|0.201661|0.500000| |2.590646|2.626644|3.622347|2.250591|2.132009|1.854189|1.716648|1.777130|2.017425|3.091899|5.186145|3.996975|0.113281|3.867297|5.089379|8.561719|9.009131|5.065858|8.756137|17.579436|8.937539|5.602204|4.491245|3.441608|3.097554|3.335410|4.373074|6.354273|0.108002|6.944097|22.316001|0.068626|0.064624|0.081407|0.064171|0.080099|0.063143|0.049141|0.043608|0.045960|0.056809|0.092579|0.097826|0.151625|0.118859|0.219907|0.173934|0.302164|0.500000| |2.112628|2.312442|3.218818|2.051010|1.867944|1.666487|1.611729|1.725307|1.952495|2.706962|4.655861|3.308614|0.086577|3.993441|5.642977|14.373648|6.798925|3.626327|5.763583|6.258121|6.591893|8.693193|17.721043|8.982996|5.564186|4.801704|5.481729|5.828601|0.097959|4.435133|53.173375|0.056611|0.053196|0.061851|0.059240|0.071871|0.052655|0.043426|0.041251|0.045905|0.057273|0.104946|0.104598|0.090585|0.093963|0.123685|0.191105|0.202337|0.129427|0.500000| |1.435938|1.523914|2.120220|1.423001|1.337208|1.235361|1.207121|1.269305|1.380900|1.712478|3.035069|1.919766|0.051255|2.122565|2.511840|5.135434|3.328018|2.075494|2.796177|3.003593|3.688359|4.972165|5.651330|8.812402|17.737371|9.072954|5.699990|5.707766|0.108248|3.399847|54.841348|0.038927|0.037309|0.041515|0.040143|0.045483|0.037593|0.032803|0.031608|0.034310|0.039919|0.058295|0.056965|0.054796|0.056614|0.071297|0.087082|0.084091|0.073291|0.123805|0.500000| |1.420261|1.479030|2.061121|1.383253|1.318872|1.216473|1.174651|1.219640|1.323186|1.670947|2.969088|1.878299|0.050609|2.000629|2.373988|4.658635|3.312449|2.088035|2.898676|3.229154|4.290347|5.502016|4.804451|5.528176|8.966897|17.755959|8.746204|9.210157|0.191770|4.537065|31.631392|0.038417|0.037028|0.041588|0.038616|0.043800|0.037533|0.032571|0.030779|0.032714|0.037763|0.054082|0.053087|0.056592|0.056888|0.076660|0.087477|0.085680|0.081145|0.104993|0.216634|0.500000| |1.897715|1.909622|2.630171|1.710555|1.647970|1.480097|1.388723|1.425807|1.574202|2.164249|3.747128|2.560333|0.071543|2.556997|3.129916|5.716525|4.857058|3.016611|4.565956|6.431735|8.880725|6.231844|4.301520|3.575507|3.610234|4.393828|6.326228|12.345444|0.205530|17.546203|21.910109|0.051148|0.048721|0.057830|0.048278|0.056889|0.048273|0.039761|0.035907|0.037422|0.044269|0.065101|0.066846|0.087668|0.077786|0.125988|0.116486|0.147141|0.194100|0.107809|0.084308|0.110403|0.500000| 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