Version2.0 2020-08-01T07:12:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 09-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC(=O)Nc1cccc(c1)[C@H]2NN[C@@H](N2C)SCC3[NH+]=c4ccccc4=[NH+]3 C63405928 RHF 6-31G(d) (6D,7F) CCC(=O)Nc1cccc(c1)[C@H]2NN[C@@H](N2C)SCC3[NH+]=c4ccccc4=[NH+]3 C01[X(C20H26N6O1S1)] 156 C1 476 CCC(=O)Nc1cccc(c1)[C@H]1NN[C@@H](N1C)SCC1[NH+]=c2c(=[NH+]1)cccc2 CCC(=O)Nc1cccc(c1)[C@H]1NN[C@@H](N1C)SCC1[NH+]=c2c(=[NH+]1)cccc2 CCC(=O)Nc1cccc(c1)[C@H]2NN[C@H](SCC3[NH+]=C4C=CC=CC4=[NH+]3)N2C InChIKey=BFEGCCRJSBUFLW-PMACEKPBSA-P InChI=1S/C20H24N6OS/c1-3-18(27)21-14-8-6-7-13(11-14)19-24-25-20(26(19)2)28-12-17-22-15-9-4-5-10-16(15)23-17/h4-11,17,19-20,24-25H,3,12H2,1-2H3,(H,21,27)/p+2/t19-,20-/m0/s1 InChI=1/C20H24N6OS/c1-3-18(27)21-14-8-6-7-13(11-14)19-24-25-20(26(19)2)28-12-17-22-15-9-4-5-10-16(15)23-17/h4-11,17,19-20,24-25H,3,12H2,1-2H3,(H,21,27)/p+2/t19-,20-/m0/s1/fC20H26N6OS/h21-23H/q+2 CCC(=O)Nc1cccc(c1)[C@H]2NN[C@@H](N2C)SCC3[NH+]=c4ccccc4=[NH+]3 C01[X(C20H26N6O1S1)] 156 C01 476 CCC(=O)Nc1cccc(c1)[C@H]1NN[C@@H](N1C)SCC1[NH+]=c2c(=[NH+]1)cccc2 CCC(=O)N[C]1[CH][CH][CH][C]([CH]1)[C@H]1NN[C@@H]([NH]1C)SC[C@@H]1N=C2[C]([NH]1)[CH]=CC=C2 CCC(=O)N[C]1[CH][CH][CH][C]([CH]1)[C@H]2NN[C@H](SC[C@H]3N[C]4C=CC=CC4=N3)[NH]2C InChIKey=PEKQDNNHDUEXJH-IHPCNDPISA-N InChI=1S/C20H26N6OS/c1-3-18(27)21-14-8-6-7-13(11-14)19-24-25-20(26(19)2)28-12-17-22-15-9-4-5-10-16(15)23-17/h4-11,17,19-20,22,24-26H,3,12H2,1-2H3,(H,21,27)/t17-,19-,20-/m0/s1 InChI=1/C20H26N6OS/c1-3-18(27)21-14-8-6-7-13(11-14)19-24-25-20(26(19)2)28-12-17-22-15-9-4-5-10-16(15)23-17/h4-11,17,19-20,22,24-26H,3,12H2,1-2H3,(H,21,27)/t17-,19-,20-/m0/s1/f/h21H 2605.3735255542 -1571.0129427 1-A 22497.9769 105 371 476 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 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0.2763 0.2598 0.4004 0.3971 0.3659 0.4538 0.5458 0.2496 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 8 7 6 6 6 6 6 6 6 1 7 7 6 1 7 6 16 6 6 7 1 6 6 6 6 6 6 7 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 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 14.00307 14.00307 12.00000 1.00783 14.00307 12.00000 31.97207 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 3267.1304 39095.1658 40257.4670 0.99998 -0.00605 0.00064 0.00605 0.99997 0.00473 -0.00067 -0.00473 0.99999 1 0.02651 0.00222 0.00215 0.55239 0.04616 0.04483 10.86 21.79 25.26 39.88 48.54 53.69 73.34 105.31 119.31 130.60 145.30 169.09 214.99 244.28 305.54 333.52 338.15 378.58 396.71 405.22 418.91 432.00 445.95 462.97 475.52 524.31 557.18 622.38 665.96 683.48 695.88 734.67 739.30 752.40 771.76 789.89 879.93 886.55 901.67 925.18 932.56 989.87 1005.43 1030.55 1034.03 1056.13 1082.90 1088.47 1122.79 1187.86 1212.62 1242.92 1245.72 1275.91 1285.33 1297.52 1330.73 1338.81 1363.47 1371.32 1407.63 1424.56 1439.44 1448.12 1466.63 1469.34 1502.66 1526.62 1555.35 1577.83 1590.51 1600.39 1630.19 1632.72 1645.39 1674.07 1704.04 1708.14 1729.87 1744.43 1749.22 1758.23 1789.61 1806.36 1818.35 1827.70 1839.76 1857.06 1870.53 1903.65 1910.64 1922.76 1927.60 2006.44 2019.13 2027.43 2030.77 2049.19 2097.98 2107.11 2118.50 2148.45 2161.72 2188.19 2190.54 2204.50 2216.63 2260.95 2261.29 2264.75 2265.84 2271.54 2291.59 2303.13 2322.99 2332.07 2350.05 2355.88 2358.77 2362.59 2379.40 2402.21 2416.96 2474.79 2546.34 2570.05 2583.82 2602.72 2713.62 2881.25 4603.04 4635.93 4649.47 4651.16 4668.24 4705.93 4708.57 4749.95 4768.02 4802.25 4811.41 4830.20 4851.84 4853.91 4888.27 4888.52 4889.71 4910.61 4919.29 4935.22 4996.68 5270.53 5333.31 5497.07 5499.79 5565.21 0.489120 0.513781 0.514726 0.428451 -1570.523823 -1570.499161 -1570.498217 -1570.584492 2.893678D-04 MUNgauss RevisionA2.0 retrievium 01-Aug-2020 DUDE CCC(=O)Nc1cccc(c1)[C@H]2NN[C@@H](N2C)SCC3[NH+]=c4ccccc4=[NH+]3 C63405928 RHF 6-31G(d) (6D,10F) C1 398.188881 |X|Y|Z| 26.926713 37.093277 142.816296 52.249897 22 6 7 16 16 5 1 |36.858105| |12.494617|36.858105| |7.522923|12.560452|36.858105| |6.797412|7.952640|15.983761|73.516695| |5.050790|7.845713|13.762928|14.982792|53.358707| |3.794254|5.035579|7.629566|11.744529|18.592717|36.858105| |3.482163|4.223640|6.291584|11.899639|10.546300|13.619605|36.858105| |2.782125|3.240878|4.326112|8.114963|6.996917|7.910638|13.789235|36.858105| |2.468687|2.900408|3.668899|6.500085|6.183026|6.802481|7.900674|13.750902|36.858105| |2.572468|3.126337|3.888139|6.481115|7.064655|7.883802|6.870342|7.979809|13.739604|36.858105| |3.098869|3.988453|5.144373|7.991871|10.861861|13.681680|7.929441|6.899363|7.903540|13.701505|36.858105| |2.199957|2.619994|3.066434|5.094194|5.288399|5.017961|4.460704|5.079375|7.688662|12.716362|7.568507|36.858105| |2.007689|2.343590|2.722217|4.616222|4.530355|4.215400|4.017352|4.820320|7.372483|8.942957|5.655339|17.541638|0.500000| |2.176103|2.618347|2.947736|4.757239|5.100667|4.454407|3.745912|3.927559|5.128508|7.646004|6.566166|13.260499|0.250716|53.358707| |1.898576|2.227546|2.448234|4.013843|4.045336|3.396277|2.990108|3.172875|4.010717|5.203268|4.515541|8.367470|0.204531|18.441841|53.358707| |1.899910|2.213585|2.447424|4.049540|4.003111|3.372591|2.996401|3.193261|4.024067|5.125686|4.428980|7.851402|0.182673|11.923751|18.219115|36.858105| |1.995323|2.341274|2.556401|4.173639|4.191425|3.430914|2.963866|3.047971|3.694790|4.758752|4.477005|6.395643|0.142957|10.316056|12.680935|17.690745|0.500000| |2.047026|2.392957|2.745548|4.610737|4.553005|4.081589|3.703477|4.128686|5.612382|7.344205|5.544948|12.149903|0.252553|11.398303|11.067376|12.451071|0.252648|53.358707| |2.217073|2.591668|3.000198|5.056136|4.932613|4.364960|3.920912|4.191864|5.233155|6.517880|5.642027|7.296248|0.158260|7.869516|7.255606|7.560069|0.214038|17.342164|36.858105| |1.624064|1.842270|2.008265|3.388717|3.157550|2.601925|2.414556|2.602337|3.157724|3.624408|3.168872|4.867292|0.131848|6.731937|9.479445|10.527554|0.219159|9.422128|5.312916|388.023441| |1.543690|1.745897|1.854310|3.095273|2.886459|2.293946|2.095424|2.188147|2.557104|2.948904|2.738833|3.727673|0.098868|5.700051|7.930994|6.927095|0.186344|6.247721|3.934593|74.067110|36.858105| |1.373780|1.532190|1.616579|2.723388|2.473163|1.951016|1.815477|1.902542|2.187062|2.438870|2.266643|2.976756|0.081814|4.407978|5.738018|4.601393|0.121502|4.754896|3.069877|48.199183|12.466117|36.858105| |1.304566|1.440888|1.523399|2.591202|2.304301|1.818659|1.715916|1.806477|2.056735|2.243444|2.079240|2.670528|0.073880|3.782643|4.673835|3.901693|0.103692|4.343222|2.912182|41.762205|7.520155|12.954934|53.358707| |1.306196|1.438138|1.515958|2.580824|2.281419|1.789939|1.687401|1.765276|1.991821|2.169384|2.032021|2.537799|0.069274|3.568706|4.295972|3.666929|0.100719|4.168213|2.899904|37.313562|6.496004|8.660932|25.901478|0.500000| |1.228076|1.349091|1.430049|2.448295|2.152138|1.705434|1.629616|1.730986|1.967247|2.107274|1.933517|2.492911|0.070648|3.472325|4.226622|3.406715|0.088102|3.953605|2.619005|35.176116|5.464779|8.409002|19.996255|0.258907|36.858105| |1.147960|1.250189|1.325036|2.285933|1.974170|1.561563|1.509822|1.607515|1.805796|1.898421|1.744223|2.194329|0.062567|2.994274|3.518005|2.824323|0.073581|3.439779|2.330678|27.384243|3.946822|5.195846|10.438459|0.186208|13.472447|36.858105| |1.093492|1.187204|1.259259|2.179910|1.870646|1.481912|1.443792|1.544637|1.730567|1.799135|1.645952|2.068085|0.059865|2.808851|3.264904|2.547107|0.065660|3.159438|2.118875|23.695929|3.328837|4.213412|7.191599|0.128144|8.140253|14.070167|36.858105| |1.099048|1.196864|1.270531|2.195032|1.894893|1.505269|1.466154|1.573772|1.772909|1.844852|1.678686|2.139987|0.062803|2.930976|3.434754|2.593785|0.065879|3.195711|2.092826|23.687011|3.333576|4.209075|6.387760|0.109572|6.812005|7.621542|12.978537|36.858105| |1.162434|1.274976|1.353777|2.324391|2.036134|1.620850|1.564929|1.678174|1.910209|2.016047|1.829281|2.385944|0.070164|3.329874|4.013504|2.971314|0.074522|3.548342|2.269551|27.548943|3.995626|5.246162|7.239276|0.117411|7.507028|6.482537|7.783293|14.285468|36.858105| |1.238720|1.366830|1.450278|2.475181|2.195735|1.746468|1.665984|1.776283|2.035655|2.189721|1.994409|2.634557|0.075966|3.734236|4.655617|3.549495|0.089303|4.046467|2.580803|35.556964|5.584466|8.668968|11.684569|0.165564|12.841315|7.533788|6.873756|7.999186|13.092701|36.858105| |1.317562|1.466074|1.552387|2.626614|2.372538|1.884222|1.772228|1.877039|2.167018|2.383527|2.182054|2.926298|0.083248|4.303326|5.609362|4.175137|0.104889|4.482178|2.803052|41.647228|7.663456|13.301530|11.323422|0.162517|8.401100|5.315160|4.742345|5.305506|7.746334|15.087567|53.358707| |1.894725|2.176478|2.494258|4.271624|4.027738|3.595794|3.432995|3.974883|5.407287|6.168188|4.581189|9.099659|0.249040|8.577735|8.974289|9.068862|0.184468|25.729643|9.369117|50.720084|4.378929|3.486626|4.461851|0.086691|3.056664|2.689837|2.486355|2.512829|2.768255|3.120522|4.579644|0.500000| |17.599230|8.802007|6.809454|12.109576|6.360709|3.656048|3.430415|2.764590|2.442385|2.520669|2.997422|2.157320|0.054697|2.869147|2.523018|1.881984|0.055006|2.779260|2.249167|11.522834|1.532619|1.364974|1.776627|0.036454|1.227805|1.151594|1.094546|1.094773|1.153549|1.230697|1.774887|0.052714|0.500000| |17.580849|8.864186|5.501809|8.750433|5.677070|3.232606|2.948073|2.429008|2.203312|2.314028|2.752531|2.024037|0.051490|2.765470|2.440903|1.788904|0.052386|2.581654|2.040795|10.958082|1.483366|1.326113|1.712481|0.035034|1.183487|1.106558|1.054018|1.059197|1.120076|1.193514|1.729146|0.048812|0.301067|0.500000| |17.605302|8.807040|6.821092|12.235430|6.336526|3.649929|3.493830|2.800043|2.444597|2.495842|2.952250|2.125568|0.054517|2.838862|2.477271|1.808637|0.052166|2.664804|2.093314|11.057812|1.471082|1.316641|1.703707|0.034702|1.185216|1.111174|1.063506|1.072006|1.132215|1.199520|1.731047|0.050756|0.302430|0.301119|0.500000| |8.811819|17.514573|8.982758|11.036669|9.706882|4.753350|3.957038|3.100280|2.819206|3.065738|3.895703|2.600965|0.064977|3.608981|3.057241|2.186922|0.063935|3.174528|2.462007|12.911157|1.734877|1.525972|1.939052|0.039309|1.336642|1.235326|1.176921|1.193129|1.275710|1.364207|1.998913|0.058889|0.172711|0.212949|0.210317|0.500000| |8.809841|17.512256|8.956766|10.940293|9.798312|4.767416|3.865668|3.052347|2.815852|3.112255|4.001729|2.659935|0.065289|3.672440|3.144780|2.320189|0.069379|3.372969|2.726192|13.667256|1.838218|1.602567|2.048394|0.041904|1.398503|1.291440|1.219304|1.224715|1.306453|1.410552|2.067263|0.062002|0.210072|0.212970|0.172747|0.303813|0.500000| |4.785012|7.683131|9.386116|10.891204|26.055680|9.352410|5.756148|4.293408|4.065292|4.891187|7.579473|3.884026|0.091256|5.400018|4.259049|3.053091|0.090436|4.562677|3.582538|16.900520|2.215826|1.885479|2.367245|0.047805|1.614261|1.470930|1.389802|1.410127|1.523358|1.651750|2.450397|0.081120|0.120181|0.115448|0.119188|0.212347|0.218321|0.500000| |3.848787|4.485148|6.913170|15.412216|9.581923|8.900182|17.834112|8.946646|5.642564|4.959718|5.649395|3.568278|0.091437|4.231002|3.490554|2.573957|0.071243|4.197859|3.291338|15.176583|1.881389|1.651079|2.138278|0.043072|1.497230|1.397602|1.340310|1.357826|1.440279|1.524988|2.194956|0.080643|0.106107|0.088299|0.110576|0.114376|0.109450|0.144128|0.500000| |2.582533|2.900639|3.762135|7.347198|5.668571|5.643930|8.981906|17.736355|8.929222|5.664661|4.967250|4.132763|0.114220|4.475391|3.768337|2.794799|0.073786|4.798941|3.570519|16.848084|1.999875|1.768028|2.308478|0.046070|1.640537|1.539736|1.489458|1.516410|1.603414|1.679779|2.389690|0.097576|0.071847|0.062901|0.073335|0.077073|0.075349|0.098346|0.216998|0.500000| |2.172539|2.493363|3.047330|5.456273|4.920745|4.914311|5.633328|8.912244|17.698799|8.861381|5.617425|7.100362|0.223557|6.420604|5.357027|3.961039|0.097671|7.511348|4.851522|23.157507|2.573332|2.231154|2.877840|0.056493|2.049104|1.890997|1.826171|1.879146|2.018883|2.129992|3.052686|0.161475|0.059925|0.054498|0.060041|0.067675|0.067510|0.092140|0.124269|0.215345|0.500000| |3.072840|4.024063|4.813613|7.166393|10.005003|8.910111|5.639297|4.965822|5.632896|8.901617|17.719109|6.990578|0.142582|10.069113|6.744558|4.770660|0.141153|7.418775|5.517279|23.427737|2.946827|2.396754|2.947192|0.058850|1.988546|1.775576|1.664834|1.697744|1.863182|2.053895|3.102514|0.120822|0.081824|0.077360|0.079767|0.111110|0.116901|0.230846|0.124118|0.107769|0.123687|0.500000| |2.186017|2.638065|2.943892|4.722467|5.088663|4.359778|3.672021|3.796102|4.788534|6.724032|6.139235|9.172956|0.211682|25.921854|12.860657|6.149281|0.154780|8.048284|4.498329|28.950741|3.642674|2.938691|3.429419|0.065834|2.346167|2.039754|1.937902|2.043869|2.323199|2.556631|3.995802|0.136214|0.058087|0.056880|0.058634|0.075742|0.074598|0.111166|0.085481|0.088969|0.122207|0.191154|0.500000| |1.770601|2.051430|2.258937|3.755321|3.671662|3.100530|2.823695|3.071558|3.907947|4.767668|3.982174|7.520156|0.220635|12.882707|25.718082|9.445749|0.183205|9.562925|4.612211|48.616365|5.454821|4.243742|4.723109|0.086651|3.245500|2.701576|2.551208|2.744229|3.257340|3.706820|6.043452|0.180440|0.048036|0.046468|0.047574|0.057595|0.058429|0.077659|0.067748|0.075802|0.111191|0.115761|0.221987|0.500000| |2.446963|2.927125|3.374229|5.521116|5.706986|4.917765|4.110869|4.117590|4.908343|6.543505|6.562317|6.764511|0.140334|8.218635|7.121137|6.881305|0.224575|12.308388|17.689473|32.808931|3.765109|2.919628|3.703810|0.075661|2.426564|2.153503|1.960300|1.942866|2.113934|2.404027|3.599184|0.181496|0.068732|0.062529|0.063269|0.076868|0.087294|0.118077|0.095677|0.095590|0.119919|0.193172|0.131434|0.120491|0.500000| |2.289527|2.654192|3.160290|5.467853|5.132170|4.720513|4.485068|4.983044|6.188448|6.934762|5.766931|6.634997|0.152657|6.677642|5.950848|5.537144|0.150256|12.309106|17.684086|30.662293|3.268991|2.670135|3.510387|0.071372|2.373786|2.158975|1.989270|1.965211|2.103884|2.340491|3.393175|0.226809|0.065071|0.057846|0.060490|0.069252|0.076352|0.099578|0.103452|0.117552|0.157896|0.143500|0.111867|0.110409|0.300130|0.500000| |2.031072|2.329152|2.630484|4.468676|4.178240|3.535260|3.248003|3.446721|4.113475|4.776918|4.297579|5.427528|0.128285|6.382663|6.456641|7.031870|0.205862|12.364951|17.636876|41.509282|4.252619|3.311345|4.400660|0.091246|2.856389|2.542299|2.267509|2.197574|2.364831|2.731273|3.999286|0.223196|0.057608|0.052454|0.053203|0.061414|0.068460|0.084922|0.078353|0.084702|0.110358|0.119737|0.104824|0.116470|0.298036|0.298671|0.500000| |1.584286|1.804822|1.908231|3.158221|2.994597|2.369227|2.138823|2.217820|2.596248|3.045582|2.857140|3.894334|0.102672|6.371678|9.354778|6.996520|0.188941|6.119136|3.752352|56.288763|17.632876|9.014534|7.583753|0.135377|4.484508|3.377620|2.973595|3.080525|3.750312|4.960626|9.646573|0.115560|0.043358|0.042377|0.041957|0.050283|0.052750|0.064554|0.053198|0.055954|0.071940|0.086854|0.115092|0.174298|0.102742|0.087069|0.107404|0.500000| |1.577188|1.782243|1.879139|3.126600|2.911385|2.283321|2.069984|2.131499|2.453545|2.836488|2.702318|3.463562|0.089488|5.259947|6.787429|6.181486|0.189209|5.869246|3.979456|56.067609|17.612211|8.894258|9.200880|0.185782|4.765952|3.626698|3.019060|2.933802|3.373784|4.506629|7.643653|0.111704|0.043675|0.042217|0.041473|0.048915|0.052637|0.062354|0.051873|0.054037|0.067627|0.081612|0.093318|0.124274|0.108525|0.090949|0.123085|0.300934|0.500000| |1.338735|1.489411|1.554495|2.609383|2.365308|1.840485|1.704345|1.765261|2.002498|2.235192|2.118627|2.669849|0.072662|4.019801|5.073252|3.934203|0.108328|4.146524|2.744803|36.195066|8.984756|17.540889|12.445097|0.205545|6.554414|4.504201|3.742852|3.739984|4.540952|6.699422|12.707381|0.082975|0.036880|0.036103|0.035576|0.041332|0.043414|0.050406|0.043322|0.045607|0.056205|0.062775|0.075775|0.102239|0.074228|0.066783|0.081499|0.219633|0.219874|0.500000| |1.132130|1.228035|1.299287|2.246727|1.925625|1.517118|1.469139|1.558059|1.736288|1.819207|1.682982|2.074357|0.058598|2.812676|3.251159|2.647415|0.070134|3.272873|2.273281|25.087695|3.593689|4.483979|9.055229|0.186056|8.732832|17.759947|8.934609|5.474873|4.749506|5.424005|5.829731|0.070829|0.031666|0.030335|0.030393|0.033574|0.035310|0.039784|0.037922|0.041545|0.050287|0.047545|0.053105|0.068303|0.058442|0.058760|0.069679|0.085138|0.095561|0.111497|0.500000| |1.041476|1.124577|1.191653|2.071628|1.758954|1.389976|1.362447|1.456902|1.618034|1.666367|1.529723|1.887660|0.054622|2.543768|2.902606|2.262003|0.058753|2.862455|1.946615|20.383685|2.827625|3.429358|5.715371|0.107346|5.728598|9.103126|17.721080|8.755954|5.635679|4.955098|5.092233|0.062594|0.029012|0.027901|0.028185|0.030924|0.032023|0.036182|0.035317|0.039267|0.047459|0.042789|0.048961|0.062665|0.050116|0.051320|0.057776|0.070963|0.072734|0.086766|0.216445|0.500000| |1.049744|1.138623|1.207966|2.093821|1.793329|1.422820|1.394422|1.498507|1.677071|1.728403|1.574558|1.981341|0.058471|2.699743|3.108070|2.318036|0.059043|2.908760|1.913856|20.385157|2.834310|3.428099|5.052279|0.089823|4.928206|5.562832|8.738681|17.752564|9.079683|5.639355|5.728633|0.063533|0.029027|0.028116|0.028535|0.031573|0.032244|0.036975|0.036023|0.040355|0.049518|0.044026|0.052792|0.069101|0.049508|0.050450|0.055342|0.074188|0.070228|0.086753|0.122804|0.216396|0.500000| 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