Version2.2 2021-02-25T11:54:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccnc(n1)SCCCn2c3c(=O)[nH]c(=O)n(c3nc2N4CCCCC4)C C05082889 RHF 6-31G(d) (6D,7F) Cc1ccnc(n1)SCCCn2c3c(=O)[nH]c(=O)n(c3nc2N4CCCCC4)C C01[X(C19H25N7O2S1)] 156 C1 489 Cc1ccnc(n1)SCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1 Cc1ccnc(n1)SCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1 CN1C(=O)NC(=O)c2n(CCCSc3nccc(C)n3)c(nc12)N4CCCCC4 InChIKey=VAYDNWMYVXKGAF-UHFFFAOYSA-N InChI=1S/C19H25N7O2S/c1-13-7-8-20-17(21-13)29-12-6-11-26-14-15(24(2)19(28)23-16(14)27)22-18(26)25-9-4-3-5-10-25/h7-8H,3-6,9-12H2,1-2H3,(H,23,27,28) InChI=1/C19H25N7O2S/c1-13-7-8-20-17(21-13)29-12-6-11-26-14-15(24(2)19(28)23-16(14)27)22-18(26)25-9-4-3-5-10-25/h7-8H,3-6,9-12H2,1-2H3,(H,23,27,28)/f/h23H Cc1ccnc(n1)SCCCn2c3c(=O)[nH]c(=O)n(c3nc2N4CCCCC4)C C01[X(C19H25N7O2S1)] 156 C01 489 Cc1ccnc(n1)SCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1 O=C1NC(=O)[C]2[C]([N][C]([N]2CCCS[C]2[N][CH][CH][C]([N]2)C)N2CCCCC2)N1C C[C]1[CH][CH][N][C]([N]1)SCCCN2[C]([N][C]3[C]2C(=O)NC(=O)N3C)N4CCCCC4 InChIKey=VAYDNWMYVXKGAF-UHFFFAOYSA-N InChI=1S/C19H25N7O2S/c1-13-7-8-20-17(21-13)29-12-6-11-26-14-15(24(2)19(28)23-16(14)27)22-18(26)25-9-4-3-5-10-25/h7-8H,3-6,9-12H2,1-2H3,(H,23,27,28) InChI=1/C19H25N7O2S/c1-13-7-8-20-17(21-13)29-12-6-11-26-14-15(24(2)19(28)23-16(14)27)22-18(26)25-9-4-3-5-10-25/h7-8H,3-6,9-12H2,1-2H3,(H,23,27,28)/f/h23H 2867.7348664741 -1662.5160929 1-A 18821.3346 110 379 489 |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|A|A| -91.94443 -20.53394 -20.52896 -15.63621 -15.62103 -15.60912 -15.58611 -15.57179 -15.56756 -15.55710 -11.39581 -11.37019 -11.35408 -11.34280 -11.31898 -11.30711 -11.29914 -11.28185 -11.27125 -11.26098 -11.26059 -11.25621 -11.25517 -11.24045 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0.4172 0.8565 0.5784 0.8368 0.6128 0.7486 0.3715 0.4261 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 6 6 7 6 7 16 6 6 6 7 6 6 8 7 1 6 8 7 6 7 6 7 6 6 6 6 6 6 1 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 12.00000 12.00000 14.00307 12.00000 14.00307 31.97207 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 8484.2554 26382.2405 33280.1402 0.99990 -0.01386 0.00052 0.01386 0.99990 0.00066 -0.00053 -0.00065 1.00000 1 0.01021 0.00328 0.00260 0.21272 0.06841 0.05423 15.96 29.36 36.42 45.73 63.02 75.96 80.05 86.62 98.95 102.25 153.54 166.65 183.66 220.63 239.75 260.61 273.05 297.35 319.40 320.50 337.69 366.76 373.87 387.39 461.83 470.02 510.76 542.15 552.16 604.02 627.63 647.00 669.25 698.22 701.86 706.79 747.61 784.70 822.56 853.30 903.14 944.78 947.52 999.54 1081.76 1126.47 1133.50 1156.69 1168.03 1181.70 1201.39 1207.17 1229.90 1245.82 1252.20 1276.36 1283.51 1306.97 1320.94 1344.20 1359.45 1390.19 1424.29 1436.17 1524.94 1550.76 1571.57 1603.55 1606.08 1625.96 1627.27 1636.04 1649.90 1664.72 1675.55 1687.29 1713.00 1719.56 1785.56 1801.59 1825.06 1828.53 1844.91 1850.25 1877.23 1920.13 1945.00 1959.38 1970.51 1991.79 2003.60 2019.67 2022.45 2042.12 2073.40 2079.57 2100.72 2145.04 2152.10 2161.99 2177.03 2201.17 2203.86 2205.90 2227.33 2244.77 2245.53 2257.83 2261.06 2289.37 2310.19 2332.73 2335.04 2340.11 2343.07 2344.83 2348.54 2357.33 2366.39 2368.34 2376.77 2378.65 2381.51 2398.93 2422.37 2491.37 2541.77 2582.37 2590.75 2808.88 2828.00 4549.90 4588.83 4595.03 4613.33 4614.95 4636.02 4650.43 4666.31 4671.44 4675.56 4682.95 4688.91 4704.59 4732.17 4739.77 4744.98 4749.66 4767.05 4769.21 4770.45 4791.83 4851.60 4872.19 4904.08 5549.89 0.478595 0.504625 0.505569 0.417236 -1662.037498 -1662.011468 -1662.010523 -1662.098857 2.962737D-04 MUNgauss RevisionA2.1 retrievium 25-Feb-2021 DUDE Cc1ccnc(n1)SCCCn2c3c(=O)[nH]c(=O)n(c3nc2N4CCCCC4)C C05082889 RHF 6-31G(d) (6D,10F) C1 415.179045 |X|Y|Z| 117.690009 66.093710 24.535188 57.574438 25 6 7 16 17 7 1 |36.858105| |12.674361|36.858105| |7.506730|13.699617|36.858105| |5.063881|8.100728|13.834036|36.858105| |4.515452|7.010333|8.029698|14.398651|53.358707| |5.262386|8.436208|7.203636|8.519167|19.682464|36.858105| |7.921767|14.418151|8.075051|7.102923|11.005208|14.428974|53.358707| |3.822495|4.958689|4.321324|4.906848|9.699387|10.790416|9.982362|388.023441| |2.978703|3.775755|3.688420|4.550746|9.022395|6.824757|6.457663|74.563181|36.858105| |2.484874|2.973123|2.863411|3.334107|5.896050|4.579524|4.927851|49.631213|12.456676|36.858105| |2.140295|2.523846|2.515811|2.951120|4.975460|3.596040|3.981389|32.905984|7.597060|12.458482|36.858105| |1.877406|2.152251|2.124439|2.415060|3.914698|2.889288|3.348754|25.936271|4.980758|7.635727|13.061420|53.358707| |1.759515|1.988158|1.950853|2.182209|3.475707|2.592401|3.072579|22.953777|4.085284|5.797628|7.506039|18.621918|36.858105| |1.789385|2.015785|1.970497|2.191186|3.475603|2.608622|3.113917|22.935013|3.939167|5.242907|5.912509|10.024520|13.319652|36.858105| |1.952440|2.221882|2.170288|2.428680|3.894938|2.928091|3.457223|25.870585|4.467968|5.697265|5.910642|8.287672|8.023852|15.861295|73.516695| |1.606293|1.777826|1.735712|1.898960|2.943597|2.213069|2.707246|18.874151|3.068737|3.830749|4.186846|7.037812|8.232960|13.695731|14.992951|53.358707| |1.589965|1.749887|1.706063|1.854108|2.851266|2.147956|2.651869|18.063640|2.864775|3.441305|3.628942|5.698068|5.905858|9.356822|13.816576|25.982559|0.500000| |1.461825|1.603018|1.567363|1.703193|2.609824|1.957616|2.420019|16.457752|2.638340|3.247558|3.597686|6.266977|6.840002|7.584819|9.482686|18.768004|0.263478|36.858105| |1.359747|1.476620|1.443266|1.554257|2.353081|1.765900|2.210401|14.589546|2.282699|2.717928|2.939080|4.861008|4.784952|5.339470|7.524802|11.550180|0.219827|15.908437|73.516695| |1.454514|1.599971|1.568336|1.711660|2.630683|1.965976|2.417719|16.597145|2.704918|3.396217|3.911113|7.384214|7.928214|6.636075|8.325317|11.127560|0.164929|13.874226|14.939119|53.358707| |1.580939|1.761006|1.729594|1.910942|2.982256|2.221648|2.685771|19.127920|3.247904|4.295507|5.295304|11.871139|14.033738|7.813617|9.476325|9.844270|0.145727|8.055501|9.727574|18.902807|36.858105| |1.559286|1.737917|1.713788|1.897122|2.952950|2.186475|2.640972|18.658511|3.185489|4.151312|5.253181|11.682500|8.526556|5.309914|7.350015|6.530819|0.106512|5.248260|7.261313|10.769597|14.184348|53.358707| |1.715759|1.940744|1.920218|2.157185|3.417664|2.515160|2.976423|21.824106|3.930639|5.359967|7.561569|19.332777|8.762455|5.308030|7.785071|5.903554|0.098840|4.290501|6.068307|7.548958|9.059072|19.704413|36.858105| |1.721192|1.949804|1.942894|2.188589|3.445428|2.507883|2.968483|21.241151|3.799040|4.798466|6.378635|10.859006|5.427713|3.897622|6.140481|4.495489|0.078751|3.280853|4.888112|5.480993|5.522712|10.849826|13.751327|53.358707| |1.532784|1.713355|1.718442|1.914645|2.938211|2.122647|2.561291|17.327832|2.966842|3.513233|4.397702|7.177513|4.233301|3.223623|5.079289|3.935128|0.069900|2.990098|4.582930|5.044341|4.685303|9.288009|7.960519|17.699565|36.858105| |1.523633|1.701987|1.722850|1.919877|2.908829|2.076205|2.515332|16.462737|2.779201|3.108778|3.729376|5.459858|3.272756|2.646376|4.326387|3.243655|0.059069|2.423663|3.807187|3.896735|3.438323|6.034747|5.152494|10.604015|12.489804|36.858105| |1.601187|1.783384|1.789204|1.977781|2.999629|2.169486|2.646092|17.257110|2.829361|3.124281|3.518032|4.975195|2.980557|2.455002|4.075169|3.000479|0.055122|2.219876|3.510057|3.507159|3.061875|5.197615|4.478983|8.955359|7.555993|12.457002|36.858105| |1.824590|2.060327|2.049215|2.285978|3.553858|2.597925|3.116172|21.294573|3.553015|3.983005|4.371235|5.919177|3.366637|2.748349|4.613873|3.262477|0.059739|2.355991|3.675905|3.686634|3.307950|5.510477|5.130638|10.561492|6.545581|7.589649|12.458864|36.858105| |1.829557|2.067681|2.031107|2.265507|3.585169|2.669703|3.181044|23.031320|3.934453|4.903791|5.544656|8.311499|4.442081|3.410589|5.552559|3.970327|0.071023|2.870363|4.366352|4.624911|4.382922|7.700710|7.909208|17.658354|7.819482|6.568892|7.569986|12.495507|36.858105| |1.324102|1.442934|1.416554|1.533897|2.327351|1.735842|2.159538|14.379808|2.294820|2.784906|3.151486|5.620362|5.115136|4.402178|6.129694|7.030850|0.118665|7.747629|12.140644|17.794687|7.759169|8.993926|4.581913|4.941256|3.601166|2.802741|2.511513|2.547112|3.114009|36.858105| |17.573549|8.949359|5.886637|4.366833|5.542315|4.835527|9.622910|26.536509|2.879975|2.443404|2.094783|2.521476|1.758022|1.809310|3.530120|2.221312|0.045174|1.479444|2.454683|1.987660|1.577248|2.098809|1.684841|2.274989|1.488326|1.466134|1.532138|1.740150|1.767485|1.326368|0.500000| |17.574485|8.947121|5.874431|4.362185|5.541887|4.839329|9.645183|26.565231|2.879974|2.443703|2.097555|2.524636|1.731776|1.745008|3.350559|2.137744|0.043001|1.438957|2.379871|1.959839|1.566162|2.115842|1.709895|2.349557|1.538975|1.534914|1.630229|1.863105|1.858359|1.316875|0.302668|0.500000| |17.593226|8.844494|7.168062|4.737051|5.445450|4.320856|7.812925|22.900490|2.646383|2.230069|1.963556|2.357532|1.627162|1.653260|3.193128|2.033288|0.041140|1.366145|2.268508|1.850540|1.471531|1.979862|1.593774|2.183969|1.442787|1.442700|1.510694|1.702544|1.693839|1.244116|0.299940|0.299878|0.500000| |6.829211|8.821417|17.760153|8.884142|7.759018|5.124990|7.772415|24.715959|3.078843|2.477123|2.227740|2.602041|1.768464|1.786906|3.473739|2.167011|0.043606|1.447788|2.385332|1.970236|1.584237|2.140184|1.746490|2.411337|1.587800|1.601020|1.658274|1.871722|1.842278|1.316949|0.149795|0.149335|0.214494|0.500000| |4.082836|5.693320|8.902466|17.703636|12.712442|5.951621|6.900956|28.744416|4.083105|3.082684|2.845401|3.180669|2.110501|2.111573|4.136195|2.501877|0.049829|1.656123|2.691792|2.270043|1.859079|2.521509|2.102848|2.920604|1.897823|1.919141|1.956961|2.230832|2.188653|1.500370|0.099980|0.099857|0.111342|0.212180|0.500000| |2.937326|3.744340|3.782082|4.803921|9.436957|6.462725|6.173274|56.491794|17.624917|8.808280|6.861879|6.270085|3.965353|4.013068|8.486965|4.246212|0.082161|2.635718|4.073187|3.604416|3.128025|4.081441|3.607420|4.651608|2.748880|2.573994|2.555432|3.086025|3.380842|2.235375|0.079634|0.076991|0.073371|0.088106|0.122527|0.500000| |2.937467|3.746300|3.785662|4.814319|9.478000|6.475882|6.177290|56.542004|17.611405|8.779915|6.957056|6.310252|3.683740|3.424839|6.626658|3.732161|0.070823|2.422432|3.752384|3.442022|3.040251|4.206330|3.870660|5.408160|3.113505|3.013676|3.109543|3.986941|4.184359|2.188553|0.076993|0.079588|0.073398|0.088164|0.122814|0.302624|0.500000| |2.449830|2.882659|2.727985|3.098029|5.356191|4.298721|4.795886|47.189140|8.829526|17.557210|8.840547|9.457046|5.253065|4.540691|8.241502|4.773655|0.087220|3.093261|4.642061|4.508730|4.179881|5.743149|5.468050|6.967227|3.678541|3.261990|3.411573|4.547713|5.825613|2.780236|0.066611|0.068246|0.060849|0.065868|0.079063|0.173209|0.208825|0.500000| |2.436517|2.868463|2.722926|3.098437|5.352102|4.269281|4.757114|46.257448|8.847063|17.607553|8.890187|9.470980|6.243962|6.317053|13.156834|6.036247|0.111690|3.586331|5.300287|4.909914|4.443797|5.473124|4.839936|5.586302|3.139084|2.743652|2.728885|3.339511|4.103368|2.885786|0.067856|0.066178|0.060594|0.065799|0.079247|0.213418|0.173118|0.302455|0.500000| |2.114037|2.500799|2.532866|3.003485|5.015719|3.517263|3.887928|30.540683|6.953709|8.860797|17.614670|12.588548|6.992991|6.253234|11.967871|5.924977|0.106722|3.619461|5.287266|5.151331|4.896558|6.257967|5.950157|6.855648|3.823026|3.311024|3.054293|3.607295|4.293454|3.028525|0.057737|0.056797|0.054235|0.062575|0.081666|0.206114|0.172839|0.173769|0.214111|0.500000| |2.116955|2.503250|2.532217|2.999084|5.008635|3.520389|3.894720|30.619123|6.909040|8.782630|17.637253|12.652155|5.686930|4.516493|7.915927|4.717723|0.084754|3.115735|4.634308|4.699250|4.560406|6.698396|7.314233|10.200283|4.990025|4.405468|4.142716|5.325539|6.430579|2.911090|0.056801|0.057920|0.054295|0.062545|0.081445|0.168879|0.207898|0.210288|0.173579|0.302113|0.500000| |1.461240|1.616866|1.607907|1.769577|2.700290|1.976821|2.416733|16.198787|2.683623|3.190074|3.794607|6.328881|3.974388|3.063644|4.777464|3.848366|0.068411|3.006009|4.656015|5.164547|4.629942|9.355338|6.880650|12.281032|17.498632|8.818366|6.768005|5.732307|7.020736|3.866854|0.039565|0.040932|0.038190|0.041381|0.048447|0.068948|0.077010|0.094519|0.081110|0.092178|0.114061|0.500000| |1.472439|1.645039|1.660134|1.853641|2.828782|2.025976|2.444717|16.363909|2.821405|3.312587|4.263047|7.061119|4.362376|3.335288|5.200372|4.122628|0.072970|3.167748|4.848835|5.390580|4.949913|9.618877|7.494131|12.489933|17.626672|8.835501|5.504749|4.904479|5.675912|3.869417|0.039847|0.040808|0.038644|0.042769|0.051404|0.074425|0.081325|0.092977|0.083809|0.107743|0.130933|0.302981|0.500000| |1.404396|1.554613|1.575672|1.740717|2.602835|1.858314|2.277448|14.543906|2.403073|2.653569|3.119024|4.593683|2.885203|2.384193|3.896023|2.989415|0.054849|2.266526|3.615035|3.629618|3.093318|5.315118|4.225449|7.672905|8.895722|17.539685|8.803632|5.510244|4.915800|2.687415|0.037613|0.039303|0.037129|0.040986|0.048521|0.062658|0.071594|0.076741|0.066462|0.079003|0.098865|0.215433|0.212480|0.500000| |1.572267|1.771070|1.814389|2.046152|3.097216|2.170980|2.604835|16.955570|2.927828|3.192832|3.920819|5.458868|3.231681|2.649731|4.399424|3.208191|0.058749|2.355674|3.698379|3.716438|3.282412|5.531685|4.862803|9.552106|8.899507|17.530952|8.842589|6.795403|5.739301|2.619635|0.041864|0.043759|0.041474|0.046849|0.057408|0.076141|0.089834|0.090739|0.077379|0.098592|0.133524|0.173776|0.216591|0.302384|0.500000| |1.521159|1.675878|1.666309|1.819154|2.745367|2.012351|2.486684|16.094486|2.568238|2.866787|3.150429|4.592005|2.840918|2.350723|3.870083|2.922329|0.053730|2.194667|3.495914|3.488630|2.991738|5.098035|4.171056|7.772514|6.775081|8.853984|17.502903|8.858324|6.779980|2.553743|0.040622|0.043201|0.039851|0.043024|0.049722|0.064562|0.076729|0.087916|0.071051|0.076352|0.098907|0.198240|0.139176|0.215514|0.173719|0.500000| |1.579764|1.754376|1.772949|1.954270|2.923888|2.096503|2.573649|16.260869|2.627127|2.799012|3.092622|4.233409|2.588897|2.189821|3.688581|2.691923|0.050021|1.981354|3.167657|3.072491|2.627227|4.298899|3.631362|6.707965|5.498934|8.805129|17.548805|8.812847|5.506733|2.206203|0.041750|0.044757|0.041648|0.045939|0.054080|0.066461|0.081166|0.083838|0.068234|0.076323|0.100868|0.138769|0.123352|0.209549|0.214752|0.303188|0.500000| |1.876411|2.102326|2.067639|2.274180|3.515886|2.615444|3.184895|21.383833|3.387406|3.707784|3.800592|5.079798|2.999557|2.516635|4.272768|3.016933|0.055811|2.175420|3.430350|3.352765|2.937175|4.731760|4.209695|7.654092|4.906619|5.508430|8.794833|17.542141|8.895779|2.330871|0.049531|0.053831|0.048497|0.052461|0.061034|0.080896|0.105144|0.120812|0.087546|0.088306|0.122919|0.128682|0.107944|0.123248|0.138968|0.215617|0.209307|0.500000| |1.937971|2.221930|2.241451|2.547392|3.987276|2.847591|3.352186|22.910092|3.970447|4.252559|4.746032|5.943396|3.325124|2.756972|4.720476|3.225783|0.059421|2.288610|3.569170|3.520587|3.159632|5.093293|4.837820|9.503595|5.712578|6.788947|8.841754|17.528357|8.903346|2.394902|0.050958|0.054652|0.050305|0.056637|0.069594|0.095574|0.130064|0.130375|0.096310|0.109584|0.171930|0.132048|0.128082|0.138978|0.198674|0.173758|0.215016|0.302338|0.500000| |2.018173|2.305588|2.239379|2.509844|4.068478|3.087067|3.622798|27.972370|4.853705|6.428934|6.650595|9.224753|4.766226|3.709418|6.165852|4.187612|0.075115|2.935408|4.435447|4.604368|4.384404|7.101033|7.397327|12.417335|5.667674|4.913798|5.514880|8.855620|17.641498|2.999543|0.054201|0.056973|0.051356|0.055712|0.066360|0.110421|0.141504|0.237082|0.141755|0.134495|0.206834|0.143670|0.127463|0.108064|0.128434|0.139422|0.123557|0.213223|0.216746|0.500000| |1.722343|1.917002|1.865713|2.046601|3.197480|2.415097|2.939146|20.781859|3.368381|4.172743|4.491470|7.101437|4.154063|3.229476|5.180575|3.883286|0.069510|2.881381|4.423272|4.706015|4.331552|7.707998|6.858332|12.305824|7.054324|5.762460|6.793512|8.829372|17.458749|3.267163|0.046486|0.048851|0.044327|0.047284|0.054737|0.081588|0.096735|0.138292|0.102317|0.100675|0.134360|0.209975|0.144204|0.129142|0.132686|0.198993|0.139100|0.215558|0.173832|0.302684|0.500000| |1.263944|1.368793|1.342145|1.444437|2.176730|1.626406|2.039500|13.353676|2.096216|2.496117|2.759670|4.709606|4.268518|3.978946|5.695470|6.709727|0.119038|7.640783|14.573143|12.581961|5.735320|6.598157|3.680190|4.110327|2.996031|2.423553|2.200825|2.230712|2.661342|17.708630|0.035313|0.034872|0.033058|0.034785|0.039252|0.057197|0.055322|0.068856|0.072704|0.074865|0.070746|0.088509|0.088855|0.065160|0.063560|0.062204|0.054520|0.057435|0.058723|0.072082|0.077281|0.500000| |1.286627|1.404843|1.389793|1.510716|2.282242|1.684413|2.089854|13.775509|2.223945|2.659268|3.086269|5.437629|4.696648|3.971621|5.665494|6.046549|0.104072|6.041903|9.645863|12.400921|6.890316|8.993868|4.589262|5.089386|3.896566|3.004616|2.610994|2.583994|3.105774|17.614845|0.035652|0.035506|0.033715|0.035999|0.041329|0.060444|0.059697|0.073326|0.075059|0.083090|0.080955|0.115798|0.121485|0.081236|0.078015|0.073404|0.063743|0.064870|0.067710|0.081297|0.089395|0.299427|0.500000| 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