Version2.1 2021-01-19T20:33:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1CCN(CC1)C(=O)C2=CNN3[C@@H]2C=C(C=C3)C4CCN(CC4)S(=O)(=O)c5c[nH]cn5 C64612215 RHF 6-31G(d) (6D,7F) CC1CCN(CC1)C(=O)C2=CNN3[C@@H]2C=C(C=C3)C4CCN(CC4)S(=O)(=O)c5c[nH]cn5 C01[X(C22H30N6O3S1)] 180 C1 544 CC1CCN(CC1)C(=O)C1=CNN2[C@@H]1C=C(C=C2)C1CCN(CC1)S(=O)(=O)c1c[nH]cn1 CC1CCN(CC1)C(=O)C1=CNN2[C@@H]1C=C(C=C2)C1CCN(CC1)S(=O)(=O)c1c[nH]cn1 CC1CCN(CC1)C(=O)C2=CNN3C=CC(=C[C@H]23)C4CCN(CC4)[S](=O)(=O)c5c[nH]cn5 InChIKey=IVRWIQBJMVBUMW-HXUWFJFHSA-N InChI=1S/C22H30N6O3S/c1-16-2-7-26(8-3-16)22(29)19-13-25-28-11-6-18(12-20(19)28)17-4-9-27(10-5-17)32(30,31)21-14-23-15-24-21/h6,11-17,20,25H,2-5,7-10H2,1H3,(H,23,24)/t20-/m1/s1 InChI=1/C22H30N6O3S/c1-16-2-7-26(8-3-16)22(29)19-13-25-28-11-6-18(12-20(19)28)17-4-9-27(10-5-17)32(30,31)21-14-23-15-24-21/h6,11-17,20,25H,2-5,7-10H2,1H3,(H,23,24)/t20-/m1/s1/f/h23H CC1CCN(CC1)C(=O)C2=CNN3[C@@H]2C=C(C=C3)C4CCN(CC4)S(=O)(=O)c5c[nH]cn5 C01[X(C22H30N6O3S1)] 180 C01 544 CC1CCN(CC1)C(=O)C1=CNN2[C@@H]1C=C(C=C2)C1CCN(CC1)S(=O)(=O)c1c[nH]cn1 C[C@@H]1CCN(CC1)C(=O)C1=CNN2[C@@H]1C=C(C=C2)[C@@H]1CCN(CC1)S(=O)(=O)[C]1=CNC=[N]1 C[C@@H]1CCN(CC1)C(=O)C2=CNN3C=CC(=C[C@H]23)C4CCN(CC4)[S](=O)(=O)c5c[nH]cn5 InChIKey=IVRWIQBJMVBUMW-HXUWFJFHSA-N InChI=1S/C22H30N6O3S/c1-16-2-7-26(8-3-16)22(29)19-13-25-28-11-6-18(12-20(19)28)17-4-9-27(10-5-17)32(30,31)21-14-23-15-24-21/h6,11-17,20,25H,2-5,7-10H2,1H3,(H,23,24)/t20-/m1/s1 InChI=1/C22H30N6O3S/c1-16-2-7-26(8-3-16)22(29)19-13-25-28-11-6-18(12-20(19)28)17-4-9-27(10-5-17)32(30,31)21-14-23-15-24-21/h6,11-17,20,25H,2-5,7-10H2,1H3,(H,23,24)/t20-/m1/s1/f/h23H 3430.4645950471 -1799.2000469 1-A 24817.3922 122 422 544 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1421.0887 1426.3761 1428.4894 1453.5488 1456.6381 1464.9187 1466.8206 1469.6279 1485.5682 1489.3184 1509.1605 1514.4807 1515.8034 1518.8659 1529.2324 1532.5114 1550.3103 1551.6903 1554.1573 1562.7199 1563.3409 1567.6598 1572.4309 1584.0883 1594.4347 1623.7515 1627.8594 1637.5661 1640.2375 1643.6543 1644.3472 1649.1011 1653.2303 1660.0644 1668.8495 1696.3453 1734.1926 1835.4129 1868.2791 1905.6552 1927.8506 3142.2836 3157.0280 3165.1773 3175.0697 3190.9611 3191.5242 3193.9971 3202.2989 3204.8138 3210.3742 3213.6646 3225.1834 3233.0881 3238.7066 3256.1639 3257.7345 3261.0327 3279.4828 3324.8103 3342.0825 3345.7953 3353.2218 3388.1249 3403.8429 3413.3731 3424.2105 3456.2770 3498.5170 3714.6969 3910.2575 5.6189 6.1118 5.1467 6.4371 4.3882 4.3388 4.9353 4.1665 4.4718 5.1677 4.2372 4.8579 4.0561 3.3712 6.1193 3.4441 3.4052 4.2951 3.4139 2.8428 1.3178 3.8283 2.6243 2.5125 3.5686 3.6041 3.5543 2.5887 7.3629 3.6261 4.8809 3.0430 4.5678 3.4436 4.5346 1.9429 2.7593 2.7155 2.8371 2.5313 5.8437 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1504.50 1513.64 1533.30 1536.88 1543.94 1545.68 1561.98 1583.16 1587.92 1601.91 1641.64 1665.65 1682.08 1708.04 1716.59 1727.61 1754.92 1774.39 1780.62 1798.74 1804.08 1839.12 1853.21 1858.82 1868.24 1869.77 1885.95 1887.11 1928.10 1941.82 1983.05 1996.21 2005.92 2022.54 2024.20 2036.37 2044.63 2052.24 2055.28 2091.33 2095.78 2107.69 2110.43 2114.47 2137.40 2142.80 2171.35 2179.00 2180.90 2185.31 2200.22 2204.94 2230.55 2232.54 2236.09 2248.41 2249.30 2255.51 2262.38 2279.15 2294.04 2336.22 2342.13 2356.09 2359.94 2364.85 2365.85 2372.69 2378.63 2388.46 2401.10 2440.66 2495.12 2640.75 2688.04 2741.81 2773.75 4521.05 4542.26 4553.98 4568.22 4591.08 4591.89 4595.45 4607.39 4611.01 4619.01 4623.75 4640.32 4651.69 4659.78 4684.89 4687.15 4691.90 4718.44 4783.66 4808.51 4813.85 4824.54 4874.76 4897.37 4911.08 4926.68 4972.81 5033.59 5344.62 5625.99 0.561056 0.588101 0.589046 0.498881 -1798.638991 -1798.611945 -1798.611001 -1798.701166 3.024149D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE CC1CCN(CC1)C(=O)C2=CNN3[C@@H]2C=C(C=C3)C4CCN(CC4)S(=O)(=O)c5c[nH]cn5 C64612215 RHF 6-31G(d) (6D,10F) C1 458.210011 |X|Y|Z| 48.277857 30.011803 146.921131 59.709227 28 6 7 16 21 6 1 |36.858105| |12.468721|36.858105| |7.511085|12.435995|36.858105| |4.885473|7.495748|12.478588|36.858105| |4.414018|6.537935|7.780576|13.049734|53.358707| |4.898966|7.540786|6.592274|7.832133|17.756921|36.858105| |7.512584|12.433753|7.624028|6.548903|10.559873|12.488424|36.858105| |3.358474|4.443851|5.200332|7.900198|18.867076|7.653321|5.124030|36.858105| |2.979506|3.810930|4.644620|7.110614|11.507224|5.418485|4.047029|15.852196|73.516695| |2.939940|3.668713|3.948464|5.041220|10.546407|6.326818|4.501811|12.778853|14.507214|36.858105| |2.990934|3.601886|3.727067|4.322945|8.599584|5.875787|4.628485|7.579281|9.701808|14.452124|36.858105| |2.488694|2.875142|2.923545|3.290987|5.912244|4.243627|3.557184|5.117324|7.452444|8.344518|13.530433|53.358707| |2.229458|2.590148|2.679767|3.115010|5.430749|3.773380|3.080610|5.042946|7.858336|8.151274|8.429019|18.222819|53.358707| |2.397010|2.880811|3.043515|3.755941|6.752346|4.449639|3.391272|7.100679|11.073359|12.432147|8.251729|10.971345|17.524373|36.858105| |2.358631|2.846279|2.923405|3.593793|6.366547|4.499763|3.367121|6.180642|9.668745|8.919381|6.548650|8.818323|12.353344|17.474463|0.500000| |2.152441|2.550772|2.778633|3.452209|5.679936|3.579276|2.846567|5.924368|11.302533|7.344418|5.364804|7.183322|10.373626|12.617822|0.250214|36.858105| |1.922023|2.218526|2.413545|2.883318|4.561728|2.929336|2.442491|4.403038|8.398625|5.287318|4.436021|6.405531|9.106705|7.618570|0.165697|14.395447|36.858105| |1.856179|2.105670|2.252449|2.599366|4.152026|2.749495|2.352643|3.821879|6.815771|4.856010|4.576620|7.408631|10.789111|6.630229|0.144808|7.907822|12.920050|36.858105| |1.983487|2.252644|2.365918|2.701072|4.463624|3.035117|2.589784|4.051341|6.765264|5.627573|5.810994|11.132512|18.526920|7.682316|0.163508|6.872479|7.863829|14.412972|36.858105| |1.740313|1.984287|2.177239|2.573646|3.869316|2.485443|2.122657|3.573438|7.154497|3.885740|3.341076|4.678220|5.947796|4.883586|0.118118|7.684073|12.579506|7.375041|5.025434|36.858105| |1.696518|1.907851|2.122112|2.459718|3.613861|2.296020|2.012796|3.249026|6.514416|3.433708|3.068463|4.240872|5.031252|3.928371|0.094015|5.374824|7.513845|6.059023|4.358685|12.381713|36.858105| |1.532432|1.704481|1.889825|2.159721|3.083421|1.986834|1.768667|2.676656|5.373088|2.739203|2.476368|3.397947|3.913510|3.053425|0.076409|3.941050|4.902212|4.180042|3.266023|7.519978|12.478610|36.858105| |1.405182|1.554766|1.694020|1.918883|2.755746|1.817579|1.622031|2.361487|4.629788|2.459796|2.250336|3.157323|3.671619|2.806493|0.072021|3.539871|4.411057|3.918748|3.081048|6.562541|7.711524|13.004616|53.358707| |1.421975|1.585138|1.710793|1.956522|2.839755|1.891515|1.666295|2.452760|4.791724|2.583295|2.330943|3.297094|3.941551|3.057686|0.080153|3.941275|4.905047|4.165521|3.258475|7.523764|6.504125|7.697211|17.746492|36.858105| |1.547157|1.741261|1.872615|2.165349|3.229862|2.148816|1.862403|2.862487|5.529602|3.134282|2.799083|4.046425|5.092858|3.935759|0.101364|5.370291|7.522137|6.020891|4.343251|12.382255|7.552182|6.507017|10.517037|12.471461|36.858105| |1.273968|1.391219|1.503275|1.670323|2.387877|1.597140|1.448574|2.000831|3.841316|2.091739|1.963331|2.781821|3.157625|2.341367|0.060614|2.798066|3.380068|3.244580|2.659625|4.375878|5.111455|7.045762|16.038923|7.108512|5.142748|388.023441| |1.189648|1.296110|1.388939|1.538358|2.191347|1.482826|1.347137|1.818407|3.473056|1.894305|1.777974|2.520244|2.854833|2.124864|0.056126|2.501049|2.929951|2.798654|2.355301|3.673559|3.906935|4.995449|10.468749|6.457126|4.516766|94.523878|73.516695| |1.261641|1.369412|1.490032|1.642418|2.321018|1.543410|1.413757|1.926561|3.709505|1.985648|1.875139|2.622891|2.912246|2.163242|0.055668|2.546533|3.004376|2.899551|2.430258|3.756607|4.693196|6.622574|10.556536|4.985296|3.982176|94.872546|13.635418|73.516695| |1.267190|1.378481|1.475627|1.627374|2.362589|1.596440|1.452661|1.976206|3.709938|2.122415|2.035077|2.961763|3.366703|2.398627|0.061746|2.793865|3.448813|3.584868|2.937007|4.146085|4.700454|5.232372|9.540274|5.598053|4.976567|77.127483|13.416740|13.079071|36.858105| |1.185660|1.283399|1.359813|1.488841|2.164058|1.482600|1.355662|1.790358|3.320493|1.931521|1.870371|2.747268|3.101956|2.183459|0.057088|2.476870|2.976112|3.149155|2.675520|3.407509|3.615312|3.871538|6.763814|4.539331|4.161334|48.905232|11.609634|9.237964|14.099466|36.858105| |1.196668|1.290717|1.361013|1.480951|2.169585|1.494613|1.372721|1.788708|3.272934|1.956871|1.927662|2.877687|3.222016|2.206232|0.057381|2.445531|2.936815|3.267403|2.830944|3.194466|3.381593|3.398901|5.473253|3.756029|3.747786|35.055312|7.978400|7.375720|8.866248|13.975471|53.358707| |1.148566|1.233756|1.292521|1.398390|2.049441|1.424157|1.314136|1.676028|3.042992|1.836645|1.823731|2.735063|3.033216|2.061567|0.054083|2.243092|2.640640|2.952465|2.633888|2.802124|2.904767|2.893581|4.562773|3.224070|3.252635|28.268499|6.749058|6.130322|6.113603|9.025193|26.078258|0.500000| |1.286956|1.391176|1.476299|1.609569|2.370604|1.618026|1.484014|1.969758|3.603610|2.171640|2.150068|3.223997|3.608823|2.441570|0.062236|2.719847|3.346341|3.856249|3.271995|3.603316|3.992638|3.842564|5.869988|3.868799|4.030996|35.651359|7.361575|7.836270|9.048404|8.712144|19.153153|0.251720|36.858105| |1.340421|1.457471|1.563521|1.720286|2.520421|1.695961|1.545737|2.117322|3.940656|2.307465|2.242952|3.302348|3.736261|2.596529|0.065533|2.994509|3.777322|4.169745|3.377438|4.332482|5.166060|5.129403|7.932434|4.761860|4.795560|49.184225|8.879827|10.568522|13.931606|8.495048|11.838460|0.168497|14.803652|53.358707| |17.543749|8.778716|6.841576|4.511784|5.247712|4.062183|5.469580|3.032977|4.943644|2.629953|2.629197|3.024412|2.758965|2.187831|0.059819|2.006365|1.804400|1.731779|1.827046|1.657193|1.624961|1.482960|1.849391|1.370341|1.477082|8.778946|2.053698|2.182771|1.220289|1.141359|1.561930|0.030582|1.230905|1.749353|0.500000| |17.539055|8.772048|5.467248|4.048591|5.244631|4.519085|6.842818|3.022038|4.757159|2.729917|2.807526|3.245851|2.904693|2.269388|0.062835|2.023886|1.812828|1.762627|1.893930|1.639920|1.588932|1.439552|1.812644|1.353928|1.473547|8.623459|2.022994|2.127375|1.211108|1.139675|1.568674|0.030841|1.234111|1.739928|0.301598|0.500000| |17.529799|8.780937|6.789992|4.528516|5.777557|4.533902|6.784994|3.302910|5.191065|2.951100|3.083539|3.493775|3.079639|2.391257|0.064377|2.144661|1.934532|1.890531|2.029741|1.746701|1.720001|1.547533|1.925418|1.422089|1.549238|9.154942|2.127466|2.275053|1.287030|1.202834|1.659602|0.032509|1.317365|1.864573|0.301568|0.301420|0.500000| |8.923715|17.472741|8.923844|6.831240|7.868073|6.883861|8.936057|4.125404|6.468614|3.399776|3.246093|3.610005|3.332870|2.758239|0.077404|2.467591|2.136428|2.006199|2.128559|1.927622|1.835216|1.653961|2.066367|1.558792|1.704707|9.647165|2.261762|2.365795|1.337253|1.248521|1.701329|0.033220|1.338742|1.909631|0.213380|0.213287|0.173557|0.500000| |6.823041|8.810749|17.527361|8.893026|7.671914|4.929147|5.525402|4.239931|7.183331|3.302662|3.100553|3.433520|3.209084|2.663485|0.071527|2.502024|2.205190|2.048918|2.120541|2.033049|1.997615|1.808811|2.208078|1.631491|1.761460|10.278593|2.382779|2.561040|1.407764|1.298127|1.760512|0.034130|1.397039|2.017737|0.203494|0.140005|0.166809|0.216036|0.500000| |6.947029|8.847435|17.512433|8.900068|9.497358|5.744909|6.819615|5.010230|7.913696|3.965125|3.892145|4.135091|3.713527|3.024142|0.078819|2.760460|2.437624|2.311646|2.439445|2.191347|2.172134|1.922243|2.331127|1.712136|1.876427|10.858912|2.491184|2.706472|1.507716|1.385810|1.897401|0.036748|1.522249|2.193004|0.172357|0.141070|0.205988|0.174369|0.302563|0.500000| |4.474679|6.699860|8.812990|17.477237|12.350307|7.012567|5.714067|6.569409|11.285238|4.442785|3.754558|4.049464|3.937102|3.527456|0.097289|3.295751|2.739444|2.438002|2.509226|2.482484|2.336135|2.082475|2.544339|1.926223|2.116638|11.553927|2.685511|2.826680|1.571873|1.444171|1.944010|0.037522|1.538879|2.237573|0.118465|0.106926|0.110388|0.199464|0.215690|0.173756|0.500000| |4.066580|5.483247|8.831050|17.683600|12.521188|5.689637|4.916363|7.638263|14.517820|4.854611|4.097601|4.330813|4.184989|3.717162|0.096099|3.592537|3.038033|2.696666|2.738354|2.760417|2.688219|2.359116|2.800596|2.074038|2.279687|12.643436|2.888177|3.131327|1.715535|1.554942|2.095345|0.040156|1.681493|2.471145|0.108159|0.094711|0.108942|0.139970|0.212092|0.217030|0.303347|0.500000| |4.525436|6.831800|5.822904|7.098868|12.408724|17.459955|8.871903|6.404522|8.913874|5.262920|4.672101|4.957356|4.635052|4.087419|0.120553|3.395846|2.770681|2.557033|2.771567|2.393393|2.184870|1.917400|2.407032|1.857477|2.094691|11.036170|2.583804|2.656465|1.539893|1.435422|1.957392|0.038115|1.543444|2.203186|0.108258|0.119436|0.111251|0.204801|0.130354|0.133473|0.210938|0.144793|0.500000| |4.068070|5.498857|4.915860|5.669775|12.407235|17.694378|8.835186|7.223589|8.945136|7.388211|7.382409|7.097212|6.064775|5.136686|0.146871|3.842532|3.125347|2.995681|3.419327|2.580370|2.352667|2.013470|2.528563|1.946926|2.245605|11.622277|2.697398|2.786683|1.652986|1.540996|2.128048|0.041473|1.694654|2.401395|0.094830|0.108325|0.108578|0.141173|0.108159|0.128024|0.143821|0.127553|0.303531|0.500000| |6.938576|8.836496|6.816065|5.723126|9.481368|8.882989|17.506412|4.941441|6.920599|4.572519|5.057584|5.220432|4.341556|3.391195|0.090824|2.832684|2.470427|2.428555|2.706081|2.133298|2.049549|1.788764|2.224928|1.665440|1.866180|10.431350|2.411114|2.554916|1.482199|1.381510|1.916095|0.037442|1.531660|2.165592|0.140947|0.172247|0.205478|0.174384|0.139330|0.199625|0.131866|0.128622|0.173997|0.214699|0.500000| |6.814716|8.801961|5.523742|4.903473|7.656907|8.888963|17.523074|4.171696|6.048956|3.885953|4.063433|4.488345|3.901883|3.088711|0.087284|2.589549|2.244193|2.182740|2.414067|1.958866|1.847625|1.636249|2.066113|1.567158|1.747511|9.705698|2.271714|2.360406|1.374279|1.292204|1.784462|0.035034|1.408545|1.983044|0.139952|0.203211|0.166396|0.216392|0.123471|0.139333|0.128152|0.108056|0.215834|0.213576|0.302111|0.500000| |3.392529|4.042195|4.109066|4.483937|8.805507|6.277842|5.414768|6.572526|8.543873|8.847449|17.762151|12.149429|7.945461|5.664509|0.135534|4.184715|3.612181|3.742985|4.562353|2.870569|2.719868|2.246449|2.776300|2.085428|2.442564|12.841456|2.915042|3.103066|1.868418|1.724673|2.425062|0.047047|1.982078|2.800523|0.081032|0.087910|0.099644|0.097429|0.092873|0.123411|0.105054|0.115582|0.131224|0.213082|0.179428|0.129015|0.500000| |2.453603|2.805368|2.760490|3.043077|5.388502|4.134420|3.529964|4.402889|6.447191|6.522638|9.510158|25.831228|13.006751|6.461633|0.165026|4.407652|3.953940|4.500011|6.388212|3.009125|2.717759|2.237289|2.877507|2.224141|2.694072|13.409232|3.076686|3.154162|2.012302|1.894217|2.707664|0.053073|2.195903|3.020651|0.060535|0.066451|0.069945|0.072481|0.066427|0.078808|0.077722|0.080160|0.100098|0.145583|0.104933|0.093974|0.211290|0.500000| |2.184279|2.617230|2.889835|3.699509|5.878023|3.625269|2.853442|6.165685|13.202849|6.444874|4.606651|5.819671|7.504077|8.694459|0.212472|17.759389|9.111125|5.598118|4.956521|7.058980|5.037094|3.919576|4.740181|3.906866|5.002245|19.333562|4.373240|4.430571|2.620209|2.323667|3.069385|0.057538|2.469880|3.729358|0.057056|0.056795|0.059751|0.071362|0.073056|0.078213|0.100730|0.108379|0.098324|0.104353|0.077257|0.071795|0.104497|0.103112|0.500000| |1.704234|1.904531|2.035632|2.306425|3.591000|2.396806|2.100384|3.194204|5.758951|3.856155|3.744005|5.972453|7.709338|4.827954|0.112362|5.643657|8.580427|17.754473|9.190131|6.818715|6.332218|4.453956|5.851659|4.407495|6.211203|26.063650|5.486338|5.753386|4.304848|3.719256|5.384349|0.097179|4.910296|7.237411|0.044448|0.045048|0.048393|0.050445|0.051995|0.058306|0.060274|0.066781|0.062251|0.071674|0.060436|0.054461|0.088978|0.104818|0.123316|0.500000| |1.902811|2.123652|2.204434|2.450928|3.997289|2.780239|2.444526|3.464963|5.730076|4.623012|5.160180|10.368990|12.519774|5.593226|0.129142|4.958136|5.566830|9.047720|17.757531|4.065965|3.737890|2.917267|3.800041|2.899215|3.702442|17.766057|3.952075|4.095207|2.830575|2.627823|3.892203|0.074986|3.323584|4.499621|0.048632|0.050782|0.054517|0.055499|0.055064|0.063674|0.063133|0.068597|0.070306|0.087093|0.071865|0.063986|0.119571|0.177749|0.107723|0.217589|0.500000| |1.781546|2.048689|2.266156|2.726171|4.027106|2.558699|2.165382|3.738240|7.828399|3.857306|3.212083|4.332308|5.372821|4.714692|0.117965|7.526889|9.030961|5.508196|4.204771|17.509428|8.923437|6.893200|7.989606|6.907993|8.929753|28.027023|6.111026|6.166417|3.539528|2.978058|3.756140|0.068258|3.028631|4.863307|0.047367|0.046494|0.049256|0.055787|0.059171|0.062558|0.074156|0.081922|0.069430|0.072669|0.059675|0.055334|0.077244|0.078285|0.231054|0.138106|0.096046|0.500000| |1.832757|2.072109|2.350532|2.749541|4.007223|2.477270|2.170656|3.644598|7.514587|3.733448|3.294977|4.390865|5.057816|4.057380|0.095235|5.468429|6.865867|5.500328|4.225751|8.825857|17.540838|8.889707|7.637241|4.888443|5.503505|29.268496|5.817294|7.173459|3.797451|3.038422|3.947238|0.070646|3.403069|5.727238|0.048807|0.047236|0.051777|0.054981|0.061385|0.067331|0.071551|0.085342|0.064888|0.069672|0.061623|0.054664|0.081711|0.077167|0.146101|0.150007|0.100631|0.216964|0.500000| |1.648223|1.835839|2.022328|2.302437|3.416208|2.201705|1.952644|3.023675|5.840782|3.294511|3.057982|4.358887|5.125704|3.758320|0.089410|4.812322|6.857206|6.717794|4.715937|8.774789|17.577712|8.916741|9.334782|5.674602|6.742174|37.147275|6.910116|8.558985|5.404053|4.045966|5.331583|0.091773|4.932421|9.069062|0.043695|0.043038|0.046748|0.048758|0.052678|0.058045|0.060281|0.069113|0.057711|0.063303|0.055815|0.050021|0.075662|0.077455|0.119233|0.222157|0.115668|0.173960|0.302316|0.500000| |1.555198|1.737633|1.939615|2.236198|3.142011|2.011508|1.784531|2.722521|5.593854|2.705952|2.405298|3.234411|3.700997|2.978502|0.075559|3.863307|4.513247|3.690706|2.978145|6.743129|8.824955|17.523958|12.551618|6.927723|5.697442|39.814278|7.927242|9.633992|4.149435|3.271777|3.927019|0.069863|3.163542|5.420841|0.042019|0.040481|0.043365|0.047133|0.051949|0.054340|0.060491|0.068395|0.054401|0.056033|0.049709|0.045765|0.060826|0.059456|0.112169|0.104498|0.073522|0.202288|0.216298|0.174195|0.500000| |1.486129|1.636883|1.818882|2.047666|2.895904|1.869447|1.688328|2.469767|4.904323|2.512542|2.315348|3.169619|3.556859|2.723615|0.068149|3.365423|4.061809|3.679194|2.970799|5.480887|8.794050|17.687743|12.465366|5.634897|4.894782|49.972849|8.509684|14.462586|5.222131|3.820908|4.605414|0.079887|3.881587|7.153332|0.040080|0.038730|0.041908|0.043934|0.048596|0.051806|0.054517|0.062308|0.049888|0.052419|0.047722|0.043390|0.059234|0.058149|0.092280|0.110800|0.075519|0.140538|0.210041|0.217023|0.302928|0.500000| |1.436432|1.607791|1.741415|2.005986|2.877809|1.910230|1.676483|2.481303|4.927747|2.551837|2.267997|3.146108|3.729453|2.986038|0.079433|3.868983|4.522139|3.684206|2.975016|6.757586|5.701629|6.918423|12.537725|17.528490|8.827187|39.974381|9.689879|7.767491|4.329629|3.662612|4.223884|0.075907|3.178334|5.165229|0.038606|0.037941|0.039680|0.044206|0.046386|0.048030|0.055429|0.059259|0.052597|0.054140|0.046175|0.043755|0.056542|0.059170|0.111929|0.103771|0.073189|0.203201|0.128286|0.131438|0.204944|0.142529|0.500000| |1.326710|1.468907|1.569905|1.775916|2.574780|1.740577|1.545233|2.189056|4.205792|2.316772|2.122799|3.033354|3.590179|2.727820|0.072711|3.364581|4.061019|3.657883|2.958401|5.477488|4.882918|5.624925|12.448232|17.653116|8.781944|50.540868|13.738045|8.424329|5.856396|5.113643|5.494133|0.096829|3.916826|6.297299|0.035540|0.035276|0.036841|0.040225|0.041677|0.043603|0.048738|0.051823|0.047645|0.049919|0.042889|0.040675|0.053121|0.057622|0.091923|0.109056|0.074763|0.140800|0.107644|0.127352|0.142627|0.127307|0.303846|0.500000| |1.502353|1.677390|1.790882|2.042108|3.068108|2.063295|1.806457|2.687450|5.060334|3.012759|2.776700|4.137649|5.199008|3.767234|0.096169|4.812100|6.874005|6.674982|4.700269|8.790094|6.757652|5.689093|9.356414|8.885228|17.547673|37.417437|8.066931|7.142162|5.874879|4.938362|6.229249|0.108195|5.016044|8.011152|0.039722|0.039876|0.042026|0.045369|0.046653|0.050229|0.055013|0.059336|0.055415|0.060432|0.050719|0.047283|0.067513|0.076733|0.118638|0.215640|0.114334|0.174127|0.138616|0.196622|0.131553|0.128007|0.173869|0.215380|0.500000| |1.548031|1.749771|1.862151|2.161738|3.242751|2.189048|1.880619|2.865705|5.481420|3.153011|2.790377|4.046047|5.169698|4.071774|0.109502|5.457624|6.877307|5.460074|4.207315|8.809747|5.498433|4.881848|7.642399|8.878222|17.532767|29.459836|6.950864|5.878356|4.050147|3.620068|4.510294|0.082429|3.447911|5.275689|0.040985|0.041162|0.042788|0.047948|0.048591|0.051339|0.059376|0.062434|0.059952|0.063906|0.051889|0.049343|0.067256|0.076035|0.144047|0.146755|0.099256|0.216401|0.123448|0.138387|0.127890|0.107708|0.215770|0.210446|0.302582|0.500000| |1.125647|1.216244|1.284002|1.403119|2.029331|1.397983|1.280581|1.668085|3.094442|1.786611|1.725326|2.520139|2.834296|2.013845|0.053320|2.270817|2.668918|2.767588|2.392924|3.047954|3.149956|3.432859|6.032398|4.226182|3.749400|43.079221|12.201809|8.246037|8.627477|17.853545|12.070040|0.207659|5.933917|7.884779|0.030170|0.030131|0.031623|0.033009|0.034168|0.036193|0.038029|0.040587|0.037819|0.040276|0.036097|0.034032|0.044334|0.048663|0.059919|0.088041|0.065148|0.075992|0.074762|0.094438|0.083413|0.093470|0.097652|0.138690|0.118636|0.093878|0.500000| 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