Version2.0 2020-01-30T13:36:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C=CCn1c(nnc1SCC(=O)Nc2c(c3c(s2)CCCC3)C#N)CCCOc4ccc(cc4Cl)Cl C01804645 RHF 6-31G(d) (6D,7F) C=CCn1c(nnc1SCC(=O)Nc2c(c3c(s2)CCCC3)C#N)CCCOc4ccc(cc4Cl)Cl C01[X(C25H25Cl2N5O2S2)] 177 C1 606 C=CCn1c(CCCOc2ccc(cc2Cl)Cl)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 C=CCn1c(CCCOc2ccc(cc2Cl)Cl)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 Clc1ccc(OCCCc2nnc(SCC(=O)Nc3sc4CCCCc4c3C#N)n2CC=C)c(Cl)c1 InChIKey=GDCSCDVKHVBISX-UHFFFAOYSA-N InChI=1S/C25H25Cl2N5O2S2/c1-2-11-32-22(8-5-12-34-20-10-9-16(26)13-19(20)27)30-31-25(32)35-15-23(33)29-24-18(14-28)17-6-3-4-7-21(17)36-24/h2,9-10,13H,1,3-8,11-12,15H2,(H,29,33) InChI=1/C25H25Cl2N5O2S2/c1-2-11-32-22(8-5-12-34-20-10-9-16(26)13-19(20)27)30-31-25(32)35-15-23(33)29-24-18(14-28)17-6-3-4-7-21(17)36-24/h2,9-10,13H,1,3-8,11-12,15H2,(H,29,33)/f/h29H C=CCn1c(nnc1SCC(=O)Nc2c(c3c(s2)CCCC3)C#N)CCCOc4ccc(cc4Cl)Cl C01[X(C25H25Cl2N5O2S2)] 177 C01 606 C=CCn1c(CCCOc2ccc(cc2Cl)Cl)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 C=CCN1[C@H](SCC(=O)N[C@H]2SC3=C([C@@H]2C#N)CCCC3)NN=C1CCCOc1ccc(cc1Cl)Cl Clc1ccc(OCCCC2=NN[C@@H](SCC(=O)N[C@H]3SC4=C(CCCC4)[C@@H]3C#N)N2CC=C)c(Cl)c1 InChIKey=INSITXSNIODGAL-RIEVBORMSA-N InChI=1S/C25H29Cl2N5O2S2/c1-2-11-32-22(8-5-12-34-20-10-9-16(26)13-19(20)27)30-31-25(32)35-15-23(33)29-24-18(14-28)17-6-3-4-7-21(17)36-24/h2,9-10,13,18,24-25,31H,1,3-8,11-12,15H2,(H,29,33)/t18-,24-,25+/m0/s1 InChI=1/C25H29Cl2N5O2S2/c1-2-11-32-22(8-5-12-34-20-10-9-16(26)13-19(20)27)30-31-25(32)35-15-23(33)29-24-18(14-28)17-6-3-4-7-21(17)36-24/h2,9-10,13,18,24-25,31H,1,3-8,11-12,15H2,(H,29,33)/t18-,24-,25+/m0/s1/f/h29H 3978.2433473551 -3097.1806019 1-A 55726.9464 146 460 606 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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 7992.4293 100262.3879 103041.9778 0.99997 -0.00625 -0.00390 0.00620 0.99991 -0.01210 0.00398 0.01208 0.99992 1 0.01084 0.00086 0.00084 0.22581 0.01800 0.01751 7.98 13.18 15.20 24.20 33.25 38.49 59.73 65.44 70.97 89.61 99.62 111.23 124.59 145.23 153.46 154.90 174.19 175.57 183.48 204.97 224.18 239.40 264.84 277.68 278.36 284.77 315.70 330.03 351.78 398.61 421.67 445.85 452.29 474.84 524.23 547.59 558.49 567.19 584.13 606.78 630.35 638.55 640.97 694.72 720.03 736.76 747.06 766.96 775.60 777.94 825.31 859.81 868.96 880.20 904.20 914.08 922.08 932.20 967.06 1033.90 1099.28 1105.64 1124.83 1141.77 1147.19 1175.73 1179.74 1194.38 1198.96 1252.42 1287.22 1303.39 1311.36 1329.53 1338.83 1341.46 1382.63 1442.37 1443.71 1464.04 1472.40 1484.78 1487.69 1536.08 1545.54 1586.93 1589.26 1603.15 1609.15 1622.40 1637.24 1667.50 1669.97 1685.39 1718.52 1730.23 1736.68 1748.29 1762.33 1787.37 1789.70 1811.82 1820.59 1852.35 1866.78 1875.40 1898.78 1907.89 1934.11 1988.20 1995.10 2000.51 2015.64 2032.63 2039.20 2059.09 2072.13 2072.46 2088.46 2120.99 2147.39 2164.58 2167.18 2179.36 2190.67 2201.46 2221.06 2223.52 2239.82 2261.32 2290.89 2298.82 2303.79 2341.05 2345.06 2349.54 2354.30 2358.53 2370.94 2371.98 2378.41 2394.53 2420.61 2432.83 2520.33 2543.85 2547.46 2585.79 2586.51 2705.52 2858.23 3713.99 4598.17 4599.39 4602.79 4606.98 4610.73 4624.81 4650.75 4655.45 4662.31 4666.11 4675.14 4682.77 4693.32 4699.01 4706.91 4736.31 4756.44 4774.10 4797.04 4816.23 4890.33 4916.85 4918.54 4921.47 5515.14 0.505683 0.539283 0.540227 0.430657 -3096.674919 -3096.641319 -3096.640375 -3096.749945 3.674996D-04 MUNgauss RevisionA2.0 retrievium 30-Jan-2020 DUDE C=CCn1c(nnc1SCC(=O)Nc2c(c3c(s2)CCCC3)C#N)CCCOc4ccc(cc4Cl)Cl C01804645 RHF 6-31G(d) (6D,10F) C1 561.082674 |X|Y|Z| 55.551417 39.764633 225.964020 79.325071 28 6 7 8 16 21 4 1 2 |36.858105| |14.462055|36.858105| |7.642585|12.653149|36.858105| |5.366921|7.716705|13.065452|53.358707| |4.077286|5.537531|7.471157|18.941698|36.858105| |3.437026|4.327181|5.304552|11.922336|14.872236|53.358707| |3.630840|4.396682|5.309977|11.908154|8.897257|19.000215|53.358707| |4.656690|5.794104|7.528062|19.054501|8.889881|12.157622|20.225276|36.858105| |4.873567|5.188016|5.909051|9.438731|4.946742|6.727508|9.528204|10.826129|388.023441| |3.359836|3.545086|3.929465|6.486832|4.040959|6.159186|9.088531|7.119880|74.770391|36.858105| |3.009288|3.015546|3.212995|4.883375|3.091378|4.532546|5.941516|4.693609|49.831979|12.580257|36.858105| |3.190437|3.073925|3.204842|4.622359|2.864951|4.044677|5.093190|4.223175|47.198397|7.958243|15.969061|73.516695| |2.486478|2.508632|2.658660|4.050855|2.688116|4.020661|5.078815|3.747530|34.039216|7.910571|13.932088|15.052599|53.358707| |2.197674|2.179520|2.274060|3.363256|2.254378|3.310286|3.996961|2.969858|26.203309|5.085972|7.770767|11.967156|18.730385|36.858105| |1.910868|1.908047|1.987692|2.942119|2.019247|2.982710|3.510205|2.544933|21.197771|3.953069|5.148761|8.089659|10.691410|14.019957|36.858105| |1.747373|1.724397|1.778539|2.580528|1.771723|2.575451|2.965885|2.178371|18.046947|3.138206|3.977670|6.782086|7.067784|8.128622|13.170441|36.858105| |1.829034|1.778762|1.821625|2.601667|1.761345|2.524278|2.907917|2.183156|18.563327|3.118391|4.081175|7.454068|6.735576|7.677362|8.253542|14.217470|36.858105| |2.192164|2.113766|2.168199|3.092220|2.043311|2.914184|3.439668|2.646295|23.884988|4.063662|5.988526|11.898699|9.396979|11.014351|7.445959|7.399102|10.914890|388.023441| |1.675034|1.615414|1.641034|2.308453|1.567520|2.221174|2.513983|1.897969|15.903386|2.547601|3.178456|5.967897|4.888131|4.810219|5.061911|7.531815|12.653054|47.566110|36.858105| |1.497288|1.454893|1.475642|2.085192|1.435207|2.042871|2.286468|1.702825|13.887264|2.225238|2.670443|4.857759|4.147253|3.910773|4.460479|6.704259|7.663729|32.758102|12.418360|36.858105| |1.442780|1.417835|1.453334|2.074077|1.440257|2.067015|2.309694|1.698627|13.647746|2.229412|2.637077|4.650695|4.214607|3.960883|4.911849|7.614844|6.755081|29.761829|7.525610|12.442789|36.858105| |1.537848|1.523490|1.568166|2.269795|1.580476|2.296342|2.593637|1.885838|15.145157|2.563828|3.058762|5.214561|5.160038|5.041158|7.268842|12.635560|7.602672|33.570949|6.274174|7.521464|12.427561|36.858105| |1.815651|1.843178|1.934186|2.913566|2.043538|3.076481|3.596122|2.522750|20.055623|3.802448|4.471443|6.719808|8.958342|7.810951|13.304183|7.465113|5.187694|34.389273|3.768961|3.594267|4.139865|6.083370|36.858105| |1.734608|1.780396|1.876010|2.854699|2.039253|3.108982|3.589496|2.458928|18.831795|3.534136|3.866421|5.788544|7.176552|5.494508|7.413370|5.271322|3.974558|26.832548|3.102851|3.044493|3.518656|4.868320|16.734651|53.358707| |3.629335|4.833926|6.037966|10.169686|12.716489|10.549365|7.216228|5.284241|25.809275|3.069714|2.492282|4.188710|3.022803|1.916352|1.744703|1.556225|1.548766|12.551657|1.397913|1.290399|1.294989|1.407371|1.768209|2.413000|36.858105| |3.151889|3.953935|5.121562|7.756501|7.534416|7.692609|5.856918|4.336527|22.849775|2.778234|2.308508|3.904465|2.827927|1.812789|1.660546|1.490541|1.483833|11.941391|1.346177|1.243692|1.253758|1.354677|1.682673|2.298160|12.407626|36.858105| |2.712367|3.278244|3.880571|5.483378|4.926264|5.540484|4.434738|3.257110|18.330133|2.279192|1.951721|3.331476|2.428323|1.584560|1.468099|1.332844|1.326982|10.537538|1.215989|1.131581|1.140183|1.223850|1.489279|2.039943|7.543234|12.543823|36.858105| |2.419865|2.824805|3.349920|4.625608|3.902226|4.594946|3.862202|2.853339|16.705257|2.107023|1.834213|3.145417|2.298353|1.513067|1.408252|1.285595|1.280716|10.112229|1.178787|1.098081|1.109493|1.185147|1.427033|1.953964|5.107541|8.093920|13.553279|73.516695| |2.127350|2.425431|2.763974|3.762118|3.099297|3.758101|3.234443|2.382913|14.367443|1.835413|1.624847|2.800320|2.054939|1.367983|1.282450|1.179825|1.175519|9.198455|1.089408|1.019912|1.030321|1.095222|1.299780|1.781924|3.893245|5.242026|7.987244|25.291537|36.858105| |2.024271|2.298243|2.531743|3.441137|2.844519|3.477252|2.991260|2.192571|13.286973|1.703097|1.514893|2.614311|1.923113|1.285476|1.209272|1.115968|1.111479|8.660733|1.033213|0.971036|0.978974|1.039632|1.226789|1.684225|3.599799|4.400319|6.698327|14.032728|13.736456|36.858105| |1.787642|1.989927|2.153380|2.909969|2.356675|2.936307|2.580114|1.891399|11.714028|1.516548|1.366153|2.366169|1.746225|1.177341|1.113574|1.034069|1.030161|7.970442|0.962890|0.908431|0.915963|0.968585|1.129287|1.550954|2.855616|3.337965|4.503424|9.242197|7.896691|13.735088|36.858105| |1.669009|1.836045|1.998538|2.691393|2.145634|2.696980|2.406696|1.769395|11.112948|1.447484|1.313878|2.280697|1.685108|1.141529|1.082280|1.008384|1.005071|7.750396|0.942026|0.889301|0.898147|0.946718|1.096439|1.504835|2.523625|2.979411|3.787684|8.220472|6.845776|7.967189|13.840407|36.858105| |1.722566|1.895503|2.102859|2.831061|2.243885|2.816023|2.523263|1.861490|11.702968|1.523769|1.381771|2.397849|1.769376|1.196701|1.132515|1.053653|1.050585|8.119438|0.983083|0.925536|0.936452|0.987159|1.146310|1.571517|2.612232|3.195526|3.969383|9.386753|7.884582|6.886954|7.952300|13.756868|36.858105| |1.929957|2.154570|2.448366|3.309428|2.649733|3.279206|2.901047|2.144355|13.259447|1.711937|1.535104|2.655264|1.952762|1.309919|1.232859|1.140021|1.136582|8.847188|1.057691|0.991493|1.003572|1.062112|1.247918|1.709596|3.142206|4.082075|5.230847|14.507717|13.638804|7.971952|6.901301|7.979794|13.826163|36.858105| |1.949355|2.158464|2.511376|3.397973|2.660983|3.320243|2.997339|2.230030|13.959489|1.810062|1.628150|2.817424|2.070027|1.388391|1.304331|1.205110|1.202394|9.378148|1.117200|1.043424|1.059243|1.120078|1.317518|1.800651|3.012752|3.970339|4.449510|11.719917|7.011741|4.769472|4.237096|4.786926|7.085045|10.975018|448.794386| |1.463044|1.585660|1.697859|2.282269|1.796649|2.288295|2.073342|1.523472|9.729932|1.278363|1.173261|2.042873|1.514359|1.034228|0.985739|0.924134|0.921286|7.053901|0.868298|0.823182|0.831169|0.872424|0.998194|1.370307|2.059312|2.343199|2.825182|5.778159|4.210399|4.763512|7.031934|10.937041|7.039262|4.776693|28.416215|448.794386| |17.725891|9.114891|5.481321|5.849504|3.493502|4.127758|4.322702|3.874001|28.912309|2.993456|2.745915|5.190025|3.146263|2.073427|1.817590|1.676653|1.758458|14.837507|1.623775|1.458608|1.397599|1.483923|1.725588|2.244650|3.197120|2.773311|2.458172|3.905860|1.964463|1.897438|1.692969|1.577781|1.613193|1.786145|14.329048|11.210581|0.500000| |17.699400|9.085993|6.932936|6.708541|3.714007|4.351238|4.704252|4.468761|36.283613|3.455764|3.177711|6.168554|3.524186|2.300880|1.981500|1.819390|1.924186|16.606253|1.765285|1.562205|1.499882|1.591142|1.860445|2.399300|3.280084|2.970085|2.550332|4.144251|2.053195|1.931895|1.716352|1.621118|1.688196|1.890674|15.600219|11.445386|0.289241|0.500000| |9.158760|17.672040|8.653343|9.345219|5.651933|6.012312|5.817083|5.226910|31.367946|3.244540|2.754923|4.906599|3.191555|2.045818|1.813335|1.639977|1.678698|13.984333|1.527657|1.388851|1.356729|1.460571|1.769951|2.346170|5.201279|3.993003|3.393248|5.050174|2.456100|2.373897|2.048838|1.864846|1.900347|2.149713|16.914341|12.927417|0.218593|0.173463|0.500000| |6.030531|8.910029|17.615370|12.615511|7.127979|6.669312|6.167439|5.716738|32.054089|3.301745|2.761167|4.878495|3.199124|2.040902|1.811099|1.633062|1.666172|13.864063|1.513321|1.370909|1.355443|1.455367|1.775138|2.360219|6.927215|6.295128|4.706515|7.108255|3.219835|2.911531|2.429779|2.239323|2.365843|2.800413|22.843801|15.021307|0.129956|0.153759|0.204737|0.500000| |7.255007|8.890025|17.607159|12.510495|5.761268|6.183473|6.595291|6.939416|46.319095|4.140146|3.462113|6.287728|3.824374|2.407243|2.080117|1.865147|1.927683|16.534299|1.735642|1.545446|1.518475|1.632427|1.998776|2.613382|4.723598|4.395001|3.416506|5.504477|2.585332|2.341083|2.019120|1.905347|2.026539|2.350259|19.880143|13.093096|0.143083|0.217687|0.171766|0.304182|0.500000| |3.201149|3.423137|3.670489|6.206230|4.063923|6.484436|9.729834|6.733371|56.396105|17.616315|8.878879|10.928627|9.681357|4.747065|3.862102|3.049979|2.968227|26.431599|2.434339|2.167888|2.177758|2.530948|3.861877|5.008275|3.084152|2.719156|2.250752|3.654381|1.798549|1.685993|1.502113|1.425184|1.488926|1.666158|13.953737|10.124175|0.080928|0.088614|0.090037|0.086604|0.102692|0.500000| |3.038478|3.265775|3.774511|6.354846|4.118820|6.446905|9.394952|6.758532|56.324843|17.606271|8.885746|10.974069|9.633850|4.737507|3.851872|3.046115|2.967016|26.443050|2.434693|2.148855|2.194234|2.527236|3.845382|4.983518|3.136402|2.916590|2.369157|3.934354|1.916224|1.760173|1.563860|1.499223|1.589714|1.795669|15.426878|10.590517|0.074907|0.086954|0.083449|0.090623|0.110898|0.303505|0.500000| |2.363201|2.430138|2.597985|4.053675|2.761088|4.243911|5.378637|3.773556|31.757544|7.637976|9.334521|10.856205|25.976074|9.399534|7.352900|4.760776|4.264182|37.261788|3.193467|2.822679|2.948538|3.676053|7.559216|8.763197|2.274524|2.124253|1.821604|3.058654|1.536445|1.438378|1.304368|1.257000|1.319126|1.457191|12.379335|9.057470|0.061059|0.067393|0.063892|0.064345|0.075063|0.211104|0.208809|0.500000| |1.646246|1.585944|1.621604|2.266813|1.536777|2.165675|2.439920|1.851201|15.489542|2.447020|3.023108|5.732538|4.550050|4.323344|4.433116|6.069192|8.922860|42.282179|17.513614|8.806485|6.561997|5.273556|3.412719|3.893672|1.375762|1.335444|1.207552|2.092600|1.088880|1.029661|0.960815|0.943213|0.987185|1.061706|9.048166|6.984131|0.044150|0.048505|0.041479|0.041707|0.047949|0.064065|0.065765|0.082800|0.500000| |1.721934|1.644465|1.652193|2.305164|1.557207|2.192575|2.478264|1.886938|15.928873|2.496721|3.108896|5.992654|4.616583|4.372054|4.338265|5.757113|8.888305|45.278690|17.543770|8.806732|5.502763|4.849092|3.321226|3.790518|1.390728|1.333301|1.206316|2.073107|1.078582|1.025603|0.956010|0.933664|0.972160|1.045056|8.828282|6.912506|0.046677|0.050481|0.043178|0.042215|0.048523|0.066470|0.065273|0.083125|0.303683|0.500000| |1.411983|1.368102|1.385006|1.943101|1.339279|1.895110|2.103507|1.571395|12.729763|2.000906|2.361790|4.333941|3.577939|3.247489|3.583040|4.907075|5.577159|27.231150|8.841523|17.551377|8.810142|5.484344|3.001735|3.557554|1.212820|1.173536|1.073196|1.857306|0.973958|0.928308|0.871194|0.854612|0.889053|0.949526|8.020914|6.370707|0.038312|0.040968|0.036295|0.035911|0.040306|0.054034|0.053866|0.068017|0.219704|0.206818|0.500000| |1.495671|1.452898|1.462507|2.070840|1.428661|2.037695|2.279509|1.692283|13.750662|2.202817|2.625837|4.752140|4.074356|3.789844|4.319966|6.176065|6.691352|30.883656|8.848766|17.523621|8.854311|6.922295|3.551309|4.129430|1.284563|1.230284|1.120943|1.925556|1.006628|0.961775|0.899713|0.878349|0.911263|0.975435|8.198545|6.529920|0.040695|0.043096|0.038713|0.037686|0.042292|0.060448|0.058525|0.077527|0.174097|0.220085|0.303060|0.500000| |1.431305|1.407442|1.452717|2.067355|1.433972|2.051705|2.287840|1.687685|13.556590|2.202947|2.598748|4.602787|4.112089|3.814116|4.591255|6.641430|6.203618|28.920319|6.931015|8.860082|17.519677|8.849757|3.899183|4.554385|1.291605|1.259309|1.144969|1.990403|1.039837|0.984756|0.921928|0.906788|0.948409|1.016662|8.659381|6.736829|0.038347|0.041522|0.037270|0.037741|0.042375|0.059027|0.060909|0.079756|0.195877|0.139914|0.211090|0.173784|0.500000| |1.339737|1.319585|1.349396|1.924854|1.345962|1.931590|2.139466|1.565702|12.403661|2.006999|2.320736|4.073963|3.659276|3.301697|4.024759|5.557139|4.935741|24.202018|5.486631|8.814489|17.552827|8.840969|3.625033|4.375372|1.218207|1.180492|1.079556|1.869334|0.980244|0.934040|0.876535|0.859999|0.894874|0.955840|8.076447|6.409916|0.036175|0.038512|0.035248|0.035123|0.038968|0.054942|0.055037|0.072333|0.137835|0.123242|0.214916|0.210915|0.303237|0.500000| |1.505588|1.493577|1.526218|2.214823|1.550408|2.259638|2.543492|1.837974|14.621557|2.467894|2.894751|4.904485|4.843426|4.547802|6.342445|8.942495|6.109719|29.730229|5.262951|6.546181|8.804388|17.510333|5.793034|6.599948|1.383238|1.323371|1.199144|2.056143|1.070608|1.020605|0.951529|0.927669|0.963792|1.035238|8.713011|6.871431|0.040577|0.042974|0.040029|0.039353|0.043803|0.069006|0.066972|0.097473|0.120694|0.122304|0.137580|0.195080|0.174085|0.219689|0.500000| |1.491827|1.489282|1.546096|2.250547|1.578822|2.305416|2.593071|1.868004|14.781945|2.519247|2.938485|4.918926|4.977712|4.640821|6.721986|8.905471|5.795084|29.141654|4.851589|5.500599|8.805020|17.546590|6.496763|7.415146|1.408493|1.363116|1.231882|2.127737|1.106312|1.048092|0.976872|0.956596|0.999288|1.075311|9.130115|7.076407|0.039826|0.042801|0.039713|0.040037|0.044651|0.069046|0.070383|0.101655|0.122612|0.108140|0.123197|0.139762|0.220032|0.206581|0.304262|0.500000| |3.137079|4.005169|4.613837|7.749582|9.166873|10.139097|6.707243|4.555321|22.943312|2.862052|2.340100|3.897818|2.891400|1.840991|1.694369|1.511030|1.492969|11.969468|1.348179|1.253751|1.262618|1.375892|1.735346|2.389914|17.587919|8.828230|6.927009|8.380647|3.753367|3.602505|2.873247|2.505766|2.548758|3.014754|22.670595|16.512450|0.079104|0.078845|0.122915|0.139073|0.105069|0.081789|0.081332|0.061079|0.036733|0.037201|0.032723|0.034781|0.034881|0.033124|0.037750|0.038338|0.500000| |4.062905|5.608070|6.480101|9.333734|8.926547|7.983468|6.136552|4.765917|24.692379|2.857244|2.369460|4.052927|2.858566|1.830178|1.662888|1.495713|1.499398|12.165200|1.362386|1.256412|1.252383|1.353363|1.670021|2.264829|17.531204|8.786311|6.867320|8.386126|3.751727|3.583735|2.862837|2.504171|2.553341|3.023335|22.816016|16.502545|0.099979|0.098715|0.178303|0.217998|0.134498|0.079643|0.079204|0.059082|0.037235|0.037872|0.032895|0.034812|0.034644|0.032753|0.037010|0.037431|0.303251|0.500000| |3.426545|4.282400|5.916909|8.147897|6.763192|6.805805|5.621511|4.427706|24.098012|2.838530|2.378958|4.077198|2.878466|1.849028|1.680974|1.514052|1.518574|12.310855|1.380518|1.267546|1.273452|1.369875|1.685583|2.282600|8.757825|17.558007|8.950968|13.317294|4.974203|4.057207|3.161650|2.898387|3.174788|4.077741|33.583387|18.418859|0.081974|0.091386|0.114631|0.219560|0.145010|0.075430|0.082643|0.059381|0.038211|0.038034|0.033273|0.034709|0.035649|0.033207|0.036999|0.038208|0.172778|0.209433|0.500000| |2.826806|3.446158|4.424451|7.098080|6.956458|8.098065|6.109760|4.295888|22.610481|2.860611|2.360882|3.937123|2.925115|1.867383|1.719559|1.534735|1.516571|12.150372|1.369515|1.268103|1.287491|1.397179|1.759044|2.419238|8.841813|17.580506|8.924635|13.031319|4.914075|4.046368|3.152246|2.879736|3.139693|4.012915|32.777779|18.327419|0.069503|0.075252|0.095469|0.140126|0.110442|0.077730|0.085593|0.061693|0.037767|0.037459|0.033175|0.034772|0.035994|0.033675|0.037846|0.039281|0.211594|0.173148|0.303538|0.500000| |2.471206|2.956571|3.387588|4.951880|4.578162|5.448067|4.290431|3.047665|17.150333|2.184737|1.872047|3.172195|2.354870|1.539063|1.436252|1.302865|1.289894|10.170700|1.181524|1.105540|1.117150|1.202094|1.468332|2.024786|6.823778|8.839475|17.546333|16.517877|7.081750|6.794174|4.610502|3.761081|3.797097|4.764763|31.689744|22.773728|0.063142|0.064254|0.086579|0.108811|0.083075|0.060782|0.063106|0.049432|0.032498|0.032518|0.029109|0.030497|0.031090|0.029468|0.032838|0.033674|0.205471|0.167987|0.174325|0.214448|0.500000| |2.862139|3.466633|3.958104|5.300656|4.555435|5.022246|4.124620|3.105060|17.817730|2.178137|1.883118|3.247940|2.332100|1.529603|1.414063|1.290522|1.291621|10.270439|1.188967|1.105546|1.107992|1.184775|1.425190|1.943034|6.893996|8.819221|17.531025|16.539104|7.090973|6.766817|4.603878|3.764728|3.807258|4.782775|31.850042|22.791539|0.072596|0.073799|0.101350|0.136672|0.095405|0.059805|0.061919|0.048252|0.032780|0.032913|0.029182|0.030474|0.030858|0.029155|0.032295|0.032987|0.172208|0.206067|0.211409|0.173809|0.300602|0.500000| |2.130625|2.446979|2.662893|3.641443|3.062814|3.715334|3.148800|2.299339|13.764313|1.756401|1.553192|2.675419|1.967223|1.310530|1.230945|1.133350|1.128287|8.810374|1.046885|0.983929|0.990324|1.054281|1.249783|1.716689|4.010354|4.684525|7.454350|12.564793|8.904361|17.772972|8.978225|5.680723|4.963828|5.652979|31.498336|31.656669|0.055696|0.055760|0.071489|0.085112|0.067153|0.048653|0.050119|0.040917|0.028885|0.028918|0.026088|0.027146|0.027588|0.026243|0.028828|0.029467|0.114279|0.112987|0.115569|0.116001|0.228509|0.225462|0.500000| |1.711391|1.895929|2.016677|2.725995|2.203707|2.763107|2.436290|1.782084|11.089731|1.439816|1.301547|2.256194|1.667783|1.127592|1.068859|0.994656|0.990712|7.643922|0.927877|0.877563|0.883742|0.933798|1.084339|1.490144|2.652023|2.980321|3.905705|7.456054|5.634320|8.921609|17.750967|8.945047|5.654092|4.969313|27.459900|53.612548|0.045428|0.045427|0.054694|0.062598|0.052354|0.039819|0.041024|0.034605|0.025674|0.025629|0.023396|0.024195|0.024659|0.023534|0.025547|0.026129|0.075132|0.074730|0.077999|0.077980|0.113887|0.113580|0.217112|0.500000| 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