Version2.0 2020-08-01T10:30:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 07-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)c1ccc(cc1)[C@H](c2cccs2)NC(=O)NC3CC[NH+](CC3)C4CC4 C45159590 RHF 6-31G(d) (6D,7F) CC(C)c1ccc(cc1)[C@H](c2cccs2)NC(=O)NC3CC[NH+](CC3)C4CC4 C01[X(C23H32N3O1S1)] 174 C1 488 O=C(N[C@@H](c1cccs1)c1ccc(cc1)C(C)C)NC1CC[NH+](CC1)C1CC1 O=C(N[C@@H](c1cccs1)c1ccc(cc1)C(C)C)NC1CC[NH+](CC1)C1CC1 CC(C)c1ccc(cc1)[C@@H](NC(=O)NC2CC[NH+](CC2)C3CC3)c4sccc4 InChIKey=YRJNGJHMGOBISE-JOCHJYFZSA-O InChI=1S/C23H31N3OS/c1-16(2)17-5-7-18(8-6-17)22(21-4-3-15-28-21)25-23(27)24-19-11-13-26(14-12-19)20-9-10-20/h3-8,15-16,19-20,22H,9-14H2,1-2H3,(H2,24,25,27)/p+1/t22-/m1/s1 InChI=1/C23H31N3OS/c1-16(2)17-5-7-18(8-6-17)22(21-4-3-15-28-21)25-23(27)24-19-11-13-26(14-12-19)20-9-10-20/h3-8,15-16,19-20,22H,9-14H2,1-2H3,(H2,24,25,27)/p+1/t22-/m1/s1/fC23H32N3OS/h24-26H/q+1 CC(C)c1ccc(cc1)[C@H](c2cccs2)NC(=O)NC3CC[NH+](CC3)C4CC4 C01[X(C23H32N3O1S1)] 174 C01 488 O=C(N[C@@H](c1cccs1)c1ccc(cc1)C(C)C)NC1CC[NH+](CC1)C1CC1 CC([C]1[CH][CH][C]([CH][CH]1)[C@H](C1=[CH][CH]=CS1)NC(=O)N[C@@H]1CC[N@H](CC1)C1CC1)C CC(C)[C]1[CH][CH][C]([CH][CH]1)[C@@H](NC(=O)NC2CC[NH](CC2)C3CC3)c4sccc4 InChIKey=NUKMGBMLKZVXQR-JOCHJYFZSA-N InChI=1S/C23H32N3OS/c1-16(2)17-5-7-18(8-6-17)22(21-4-3-15-28-21)25-23(27)24-19-11-13-26(14-12-19)20-9-10-20/h3-8,15-16,19-20,22,26H,9-14H2,1-2H3,(H2,24,25,27)/t22-/m1/s1 InChI=1/C23H32N3OS/c1-16(2)17-5-7-18(8-6-17)22(21-4-3-15-28-21)25-23(27)24-19-11-13-26(14-12-19)20-9-10-20/h3-8,15-16,19-20,22,26H,9-14H2,1-2H3,(H2,24,25,27)/t22-/m1/s1/f/h24-25H 2682.5281883668 -1525.1198591 1-A 19525.9158 107 381 488 |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| -92.02652 -20.61102 -15.85467 -15.68713 -15.66871 -11.46777 -11.44412 -11.44242 -11.43751 -11.39890 -11.38912 -11.38838 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2.35663 2.37821 2.38591 2.39459 2.40535 2.41222 2.44554 2.45554 2.46223 2.47589 2.47877 2.48250 2.48857 2.50343 2.51427 2.52157 2.53896 2.54385 2.55096 2.55727 2.56639 2.57608 2.58253 2.58328 2.58715 2.60096 2.60474 2.63470 2.63748 2.64791 2.65717 2.68261 2.69507 2.71581 2.72571 2.73345 2.75755 2.76319 2.78721 2.79600 2.81103 2.81827 2.82114 2.82702 2.85815 2.88796 2.90281 2.92264 2.92332 2.93863 2.94588 2.95354 2.96311 2.98746 2.99756 3.02320 3.02814 3.04380 3.04776 3.07483 3.08222 3.09509 3.13789 3.16193 3.17284 3.18366 3.21770 3.27444 3.29991 3.38173 3.43857 3.47025 3.51259 3.77094 4.28288 4.31124 4.35995 4.40919 4.44141 4.48577 4.48998 4.50621 4.50764 4.51872 4.54181 4.56147 4.58315 4.61136 4.66660 4.67978 4.68608 4.70977 4.72489 4.76821 4.77447 4.80852 4.82322 4.84843 4.91724 4.95000 4.98944 5.12946 11.26080 23.4565 -2.5921 -3.2374 23.8203 |XX|YY|ZZ|XY|XZ|YZ| 13.4622 -154.7290 -166.5130 -17.0116 -2.7248 -3.3890 |XX|YY|ZZ|XY|XZ|YZ| 116.0555 -52.1357 -63.9198 -17.0116 -2.7248 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0.4809 0.7815 0.8568 0.3545 0.5351 0.3662 0.3475 0.3653 0.2602 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 55 56 57 58 59 60 6 6 6 6 6 6 6 6 6 6 1 6 6 6 6 16 7 6 8 7 6 6 6 7 1 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 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8497.5934 26845.7477 33630.6506 0.99993 0.01182 0.00108 -0.01182 0.99992 0.00528 -0.00102 -0.00530 0.99999 1 0.01019 0.00323 0.00258 0.21238 0.06723 0.05366 15.71 27.72 32.75 49.07 55.69 58.68 83.02 98.07 117.79 118.17 149.76 153.80 191.47 247.25 266.50 288.34 320.56 339.57 359.48 362.68 369.41 388.39 406.91 435.36 453.87 485.30 526.21 528.48 594.50 625.07 658.04 670.95 682.72 698.78 715.77 737.10 739.85 762.00 791.34 828.99 877.56 886.27 923.62 972.66 995.89 1026.84 1122.36 1124.90 1159.69 1172.68 1177.18 1199.27 1228.53 1242.26 1255.83 1269.31 1305.76 1316.86 1337.74 1343.23 1370.02 1372.57 1382.62 1387.82 1422.17 1432.63 1459.38 1490.20 1493.36 1500.89 1523.65 1554.60 1568.66 1586.71 1587.62 1604.05 1606.78 1618.76 1637.81 1654.60 1670.77 1679.13 1730.11 1739.76 1742.15 1743.54 1761.57 1765.84 1781.34 1800.23 1805.72 1809.85 1832.05 1865.89 1878.79 1884.98 1887.93 1892.60 1909.48 1913.18 1933.71 1943.18 1980.83 1993.24 2016.18 2058.50 2063.56 2091.00 2108.06 2119.19 2128.75 2138.60 2155.37 2172.75 2179.65 2196.07 2213.85 2236.89 2242.04 2247.36 2262.32 2264.41 2293.54 2316.04 2322.57 2342.65 2347.81 2356.58 2359.27 2359.70 2368.80 2371.13 2377.45 2383.96 2404.92 2413.00 2435.86 2473.59 2544.58 2548.68 2622.99 2788.97 4593.31 4602.01 4606.13 4612.96 4617.04 4694.22 4704.35 4707.27 4708.44 4712.56 4713.51 4717.28 4735.15 4747.62 4759.86 4773.26 4783.79 4802.50 4805.53 4819.12 4831.37 4855.37 4860.39 4871.17 4893.61 4902.48 4919.53 4919.92 4955.06 5298.78 5517.81 5538.43 0.561287 0.587249 0.588193 0.500476 -1524.558572 -1524.532610 -1524.531666 -1524.619383 2.942043D-04 MUNgauss RevisionA2.0 retrievium 01-Aug-2020 DUDE CC(C)c1ccc(cc1)[C@H](c2cccs2)NC(=O)NC3CC[NH+](CC3)C4CC4 C45159590 RHF 6-31G(d) (6D,10F) C1 398.226610 |X|Y|Z| 120.627864 65.752693 25.514821 58.710787 24 6 7 16 20 3 1 |36.858105| |12.411073|36.858105| |7.522977|12.411475|36.858105| |7.522833|12.517213|7.521391|36.858105| |5.317172|7.531942|5.307472|13.746253|36.858105| |4.007605|4.992787|4.001936|7.873814|13.713583|36.858105| |3.725112|4.389356|3.720178|6.759682|7.903224|13.771595|36.858105| |4.308293|4.987278|4.305115|7.877793|6.920268|7.995606|13.670642|36.858105| |6.059583|7.476792|6.064567|13.645648|8.006044|6.912823|7.896116|13.805719|36.858105| |2.887272|3.250339|2.890540|4.390287|5.009335|7.565619|12.521562|7.482387|4.992932|36.858105| |2.692662|3.038755|2.688065|3.987521|4.830060|7.452095|8.984078|5.596703|4.202521|17.644693|0.500000| |2.687657|2.866049|2.547478|3.689000|3.959909|5.239803|7.487531|6.092519|4.296319|12.576070|0.250004|36.858105| |2.855679|2.922705|2.538821|3.699043|3.854400|4.774535|6.285612|5.729569|4.308894|7.382868|0.170221|14.145857|36.858105| |2.431152|2.432567|2.161905|2.923269|2.993801|3.516559|4.284823|4.108645|3.335413|5.013142|0.124579|8.190341|13.251906|36.858105| |2.137170|2.174444|1.977331|2.587149|2.670425|3.157460|3.830218|3.612372|2.930751|4.806004|0.121647|7.662825|8.233431|14.190303|36.858105| |2.169619|2.285463|2.100164|2.782760|2.936907|3.632286|4.586867|4.080147|3.162027|6.736428|0.166468|10.934575|7.465465|7.468427|11.031254|388.023441| |2.565175|2.912380|2.731903|3.762932|4.089468|5.474774|7.685331|6.065707|4.326400|13.011332|0.260468|7.849457|5.171870|4.067227|4.225762|44.951053|53.358707| |2.364414|2.732483|2.616434|3.422618|3.819157|4.944438|5.846876|4.686546|3.702590|7.762837|0.210569|5.236717|3.877367|3.214965|3.359265|33.378912|19.140259|36.858105| |2.335151|2.723052|2.572450|3.380949|3.971622|5.217287|5.470009|4.186649|3.461538|6.780973|0.219599|4.620596|3.574932|2.972916|3.056459|28.992893|11.444098|15.836427|73.516695| |2.140519|2.452292|2.431642|2.953500|3.152050|3.772983|4.344833|3.880962|3.218923|5.189549|0.136704|4.069485|3.191358|2.774068|2.946592|28.191209|11.274366|13.765694|15.019769|53.358707| |1.924751|2.203224|2.209346|2.569120|2.763708|3.196406|3.439296|3.091917|2.698768|3.907502|0.109132|3.193403|2.619049|2.330829|2.468470|22.529370|7.158425|7.859182|12.542862|17.992469|36.858105| |1.796371|2.040223|2.098985|2.317024|2.414964|2.682362|2.881120|2.724596|2.448369|3.133236|0.085165|2.679884|2.270934|2.059180|2.173870|19.104491|5.489102|5.136866|8.156613|10.641103|12.462475|36.858105| |1.619832|1.829306|1.886155|2.032590|2.129676|2.322503|2.418106|2.281744|2.100157|2.588660|0.072022|2.255377|1.954490|1.793841|1.885982|16.132814|4.270860|3.872377|6.658484|6.846232|7.558414|12.501061|36.858105| |1.498592|1.672760|1.696981|1.859202|1.968206|2.168346|2.251534|2.094633|1.914395|2.468645|0.069992|2.190411|1.898144|1.764917|1.878331|16.084724|4.009544|3.602536|6.351511|6.062461|6.479385|7.621230|12.649856|53.358707| 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|5.471639|8.754532|17.554896|6.895002|5.403185|4.143250|3.787953|4.224924|5.577817|2.965951|0.077263|2.545523|2.475206|2.103458|1.950435|15.018722|3.898421|2.814541|4.957551|3.581435|2.413424|2.295180|2.063001|2.496474|0.048691|1.889479|2.059869|1.667151|1.530149|1.483541|0.140794|0.122452|0.139003|0.213382|0.500000| |6.888865|8.788563|17.549345|5.487209|4.273627|3.333802|3.092025|3.479459|4.583226|2.491586|0.065252|2.237275|2.247334|1.950611|1.790695|13.376564|3.219575|2.286282|4.026000|2.923519|1.983753|1.903016|1.736029|2.136853|0.042008|1.611769|1.740481|1.445190|1.342359|1.305157|0.207156|0.140805|0.168889|0.215625|0.301205|0.500000| |6.793101|8.734311|17.545720|6.716089|4.666478|3.752883|3.702468|4.533635|6.488675|2.905794|0.073530|2.600282|2.597200|2.222945|2.035042|15.320215|3.793511|2.625220|4.482634|3.365511|2.218356|2.131166|1.895468|2.312342|0.045764|1.738826|1.912787|1.540505|1.430757|1.386572|0.168914|0.139025|0.200411|0.173692|0.301478|0.301994|0.500000| |5.010695|6.997068|4.999050|8.928828|17.706638|8.943212|5.643916|4.975810|5.668214|4.098900|0.115213|3.348154|3.282710|2.644043|2.383617|18.442119|4.707140|3.359818|6.412850|3.848525|2.563300|2.253675|2.030351|2.568648|0.049893|2.053028|2.282466|1.704387|1.527608|1.533155|0.117905|0.144204|0.116950|0.230944|0.143587|0.117704|0.116741|0.500000| |3.388097|4.085609|3.386053|5.628230|8.927409|17.712485|8.931329|5.664868|4.972430|7.032919|0.230662|4.924568|4.395615|3.346508|3.071029|25.424051|7.066213|5.007606|10.277664|5.091636|3.263829|2.677805|2.353699|3.039423|0.059132|2.531821|2.947673|1.965074|1.726665|1.765677|0.081094|0.098680|0.087664|0.115250|0.098568|0.081056|0.087609|0.216946|0.500000| |3.728411|4.079304|3.719674|5.629014|4.975086|5.663585|8.879651|17.694939|8.974001|6.913474|0.139954|6.442334|6.040525|4.468051|3.975971|31.823581|8.401044|4.539400|6.887373|5.333372|3.062077|2.744506|2.272681|2.844885|0.057721|2.213629|2.640105|1.809347|1.654767|1.640548|0.086074|0.101280|0.112997|0.096580|0.100891|0.085934|0.112659|0.107886|0.124170|0.500000| |6.292792|6.915631|6.301443|8.877764|5.668189|4.972684|5.640904|8.987027|17.714575|4.083825|0.096575|3.727771|3.817237|3.099337|2.739255|20.519392|5.065489|3.219851|5.293471|3.967175|2.471757|2.302296|1.984675|2.455571|0.049186|1.877643|2.137252|1.604253|1.481122|1.452724|0.133919|0.151037|0.212830|0.139906|0.151290|0.134028|0.213263|0.124194|0.107853|0.218481|0.500000| |3.327743|3.348870|2.808747|4.315779|4.449295|5.359604|6.801388|6.428616|5.005603|6.570141|0.155414|8.926568|17.762221|8.596733|5.736788|37.719595|6.229389|3.570407|5.993995|4.018628|2.461293|2.152754|1.868327|2.449339|0.049712|1.962223|2.299822|1.590460|1.452030|1.477192|0.078034|0.101029|0.095540|0.085447|0.074826|0.068699|0.079346|0.103548|0.131622|0.175198|0.120780|0.500000| |2.389824|2.332923|2.068158|2.734699|2.760676|3.126655|3.657746|3.614298|3.079307|4.007821|0.102046|5.715027|8.585463|17.749884|8.922484|37.734876|4.543973|2.736793|4.565837|3.277175|2.063905|1.850504|1.631685|2.185243|0.045105|1.734030|2.004642|1.433761|1.329648|1.361077|0.058922|0.071266|0.069497|0.060638|0.055323|0.052358|0.059091|0.068673|0.082612|0.107845|0.081079|0.201995|0.500000| |1.923385|1.943816|1.787206|2.263381|2.321975|2.683612|3.156722|3.024284|2.533498|3.826918|0.099460|5.395657|5.683068|8.773289|17.787538|55.321209|4.807439|2.929383|4.777553|3.605726|2.267821|2.027758|1.778830|2.432587|0.051119|1.939264|2.277909|1.580219|1.468524|1.518687|0.048246|0.055709|0.055501|0.051024|0.048982|0.045384|0.051134|0.058419|0.073106|0.092047|0.066819|0.122591|0.203679|0.500000| |2.574170|2.893528|2.770387|3.692879|3.795767|4.761341|6.754272|6.298385|4.457151|9.055725|0.181340|7.037542|4.963744|4.017291|4.186577|42.745891|26.014007|9.439185|10.896553|10.633577|4.916818|4.053438|3.094809|3.884620|0.079729|3.098521|4.060200|2.343292|2.093528|2.094078|0.062838|0.070483|0.073967|0.073800|0.080143|0.066475|0.080339|0.088815|0.120351|0.197912|0.110085|0.122329|0.092385|0.098229|0.500000| |2.058050|2.315941|2.304432|2.764793|2.878395|3.395578|4.019432|3.742596|3.085038|4.864671|0.123576|4.096775|3.217320|2.858112|3.099579|29.980169|10.565498|9.351062|10.970921|25.998039|9.098238|7.151972|4.636006|5.702154|0.119919|4.472505|6.594869|3.164049|2.764911|2.743095|0.051818|0.055896|0.058321|0.060756|0.068299|0.056801|0.066016|0.071481|0.092021|0.109602|0.079183|0.081338|0.068693|0.078019|0.233020|0.500000| |2.008934|2.337348|2.344332|2.723394|2.987080|3.435870|3.548662|3.135730|2.787054|3.877922|0.110954|3.081228|2.559727|2.248600|2.335911|20.898070|6.713017|7.470721|14.000489|12.769083|17.612866|8.910416|6.888185|7.835251|0.137270|6.905466|8.930786|4.232307|3.316442|3.317266|0.051336|0.054440|0.055066|0.063727|0.072201|0.058381|0.064435|0.077902|0.098948|0.083768|0.070093|0.067990|0.055648|0.059325|0.124418|0.181411|0.500000| |1.906896|2.187218|2.292747|2.473854|2.538546|2.769903|2.973526|2.877770|2.623663|3.117860|0.083197|2.644700|2.264320|2.035203|2.117341|18.340410|5.406141|4.895214|7.701544|9.647407|8.825489|17.585357|8.956404|7.578923|0.144891|4.884645|5.517543|4.150141|3.593825|3.242032|0.049170|0.050692|0.053382|0.058298|0.070418|0.057469|0.065041|0.065508|0.075385|0.080320|0.068978|0.060325|0.051026|0.054605|0.113706|0.180088|0.215564|0.500000| |1.719406|1.924806|1.975640|2.181118|2.245828|2.495277|2.733044|2.624392|2.341070|3.019290|0.080925|2.665756|2.261787|2.082369|2.228614|19.604499|5.321275|4.689749|7.188829|9.633935|8.797699|17.493807|8.863459|9.286593|0.208139|5.664103|6.787293|4.609938|4.063749|3.736402|0.044334|0.046284|0.048422|0.051288|0.059201|0.049906|0.056286|0.057915|0.068695|0.075081|0.061831|0.058950|0.051954|0.058248|0.112581|0.211382|0.173803|0.303289|0.500000| |1.656890|1.888543|1.952538|2.087049|2.205635|2.384521|2.428580|2.275564|2.120569|2.551803|0.071766|2.194274|1.913404|1.742635|1.811791|15.373180|4.118228|3.766172|6.753187|6.296957|6.805995|8.788953|17.611104|12.437822|0.182178|7.015286|5.760950|7.132739|5.189193|4.592366|0.043315|0.044545|0.045577|0.051787|0.059925|0.050019|0.053944|0.059029|0.067596|0.061976|0.055369|0.051303|0.044176|0.047274|0.081677|0.113866|0.202932|0.214248|0.173125|0.500000| |1.536231|1.722165|1.792869|1.889398|1.952307|2.098452|2.188707|2.103673|1.958232|2.314764|0.063771|2.053660|1.803635|1.670026|1.753015|14.747510|3.761280|3.271006|5.561866|5.635875|5.487246|8.759870|17.640937|12.379368|0.224140|5.600682|4.893092|7.237784|6.488405|4.940276|0.040269|0.041215|0.042760|0.046702|0.054266|0.046155|0.050331|0.051794|0.058539|0.058633|0.052039|0.048039|0.042491|0.046244|0.077126|0.110775|0.140337|0.211360|0.214342|0.301543|0.500000| |1.601680|1.808349|1.803880|2.028097|2.215964|2.476987|2.493626|2.236630|2.040906|2.742394|0.080927|2.360733|2.032382|1.859410|1.958318|16.890525|4.341511|4.093795|7.998239|6.257326|6.805286|5.756397|7.015637|12.418462|0.182117|17.608772|8.786997|7.113542|4.584159|5.177655|0.041664|0.043889|0.043739|0.050133|0.054497|0.046213|0.049311|0.059782|0.073155|0.060451|0.052381|0.053843|0.046814|0.051151|0.081817|0.110770|0.203826|0.129219|0.132195|0.212445|0.144077|0.500000| |1.463020|1.621503|1.607315|1.815664|1.962572|2.203660|2.267100|2.050534|1.853837|2.560724|0.075192|2.292897|1.976765|1.850629|1.990535|17.176593|4.050035|3.637752|6.765234|5.578436|5.476348|4.879377|5.602697|12.373791|0.224267|17.641784|8.754030|7.230936|4.934261|6.479325|0.038075|0.040324|0.040257|0.044672|0.047793|0.041344|0.044333|0.052608|0.064726|0.056449|0.047993|0.051612|0.046592|0.052781|0.077216|0.105930|0.140616|0.107582|0.127124|0.144168|0.126729|0.301461|0.500000| |1.651984|1.832286|1.810546|2.106595|2.253832|2.604953|2.828458|2.557250|2.225201|3.370832|0.095864|3.003592|2.479048|2.305281|2.542540|23.379729|5.860324|5.418444|8.877506|9.468552|8.794711|6.802512|5.693029|9.326516|0.209735|8.854743|17.494451|4.618829|3.744821|4.068834|0.042406|0.045446|0.046042|0.049510|0.053571|0.045842|0.050714|0.058584|0.074874|0.072142|0.057425|0.063117|0.056698|0.066629|0.112793|0.192180|0.174141|0.139245|0.198758|0.132518|0.127793|0.172932|0.213464|0.500000| |1.769629|1.987625|1.931819|2.312562|2.562805|3.036217|3.190279|2.747039|2.384471|3.848112|0.116741|3.254498|2.656292|2.407496|2.603717|24.094304|6.448405|6.576679|12.832678|9.428525|8.847242|5.530370|4.896835|7.590908|0.145345|8.962025|17.609837|4.149234|3.242417|3.591522|0.045254|0.049039|0.048660|0.054405|0.057523|0.048728|0.053228|0.067225|0.090762|0.074980|0.060177|0.068233|0.058966|0.066969|0.114447|0.161958|0.217238|0.123733|0.139282|0.129307|0.107825|0.214042|0.210889|0.302506|0.500000| |1.387611|1.548061|1.576749|1.685662|1.790894|1.929003|1.943051|1.811846|1.697363|2.067670|0.059313|1.842575|1.634054|1.521908|1.594542|13.253236|3.201655|2.799034|5.162211|4.339352|4.197242|4.581433|6.943596|12.279796|0.181055|6.939672|4.584852|17.745069|8.554952|8.558060|0.036596|0.037735|0.038057|0.042891|0.047499|0.041046|0.043347|0.048696|0.055632|0.049506|0.044551|0.043687|0.038953|0.042284|0.062905|0.082232|0.118867|0.110285|0.112528|0.211867|0.175805|0.211397|0.175897|0.112666|0.110226|0.500000| |1.222825|1.343470|1.381603|1.442529|1.499795|1.592705|1.624968|1.553726|1.468154|1.716351|0.048311|1.572991|1.416926|1.341433|1.409118|11.469729|2.637862|2.202503|3.915528|3.425629|3.053343|3.558851|4.859178|7.538552|0.145329|4.084464|3.220183|8.647157|17.736106|8.542120|0.032467|0.033148|0.033824|0.036963|0.041182|0.036292|0.038395|0.040638|0.045171|0.043086|0.039202|0.037880|0.034651|0.037838|0.053184|0.068103|0.082398|0.089695|0.096017|0.128978|0.153818|0.109738|0.111541|0.086904|0.078235|0.210346|0.500000| |1.270480|1.392604|1.429454|1.510785|1.563154|1.677644|1.743696|1.673197|1.560745|1.869734|0.052133|1.723514|1.538334|1.462033|1.552840|12.783152|2.935186|2.447004|4.234524|3.934166|3.513491|4.305021|5.773478|9.425457|0.214734|4.604113|3.753579|8.591554|17.692384|8.617588|0.033534|0.034443|0.035386|0.037974|0.042442|0.037290|0.040071|0.041857|0.047286|0.046956|0.041742|0.040743|0.037555|0.041789|0.059813|0.080279|0.089830|0.104099|0.124114|0.134225|0.192027|0.113329|0.124636|0.106462|0.087623|0.170586|0.293237|0.500000| 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