Version2.0 2020-07-26T11:53:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 31-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)Sc1[nH]c(=O)c2c(n1)NC3=C([C@@H]2c4ccc(cc4)OCc5ccccc5)C(=O)CC(C3)(C)C C33810441 RHF 6-31G(d) (6D,7F) CC(C)Sc1[nH]c(=O)c2c(n1)NC3=C([C@@H]2c4ccc(cc4)OCc5ccccc5)C(=O)CC(C3)(C)C C01[X(C29H31N3O3S1)] 195 C1 606 CC(Sc1nc2NC3=C([C@@H](c2c(=O)[nH]1)c1ccc(cc1)OCc1ccccc1)C(=O)CC(C3)(C)C)C CC(Sc1nc2NC3=C([C@@H](c2c(=O)[nH]1)c1ccc(cc1)OCc1ccccc1)C(=O)CC(C3)(C)C)C CC(C)SC1=NC2=C([C@@H](c3ccc(OCc4ccccc4)cc3)C5=C(CC(C)(C)CC5=O)N2)C(=O)N1 InChIKey=QVVUPFJYIZGVOU-QHCPKHFHSA-N InChI=1S/C29H31N3O3S/c1-17(2)36-28-31-26-25(27(34)32-28)23(24-21(30-26)14-29(3,4)15-22(24)33)19-10-12-20(13-11-19)35-16-18-8-6-5-7-9-18/h5-13,17,23H,14-16H2,1-4H3,(H2,30,31,32,34)/t23-/m0/s1 InChI=1/C29H31N3O3S/c1-17(2)36-28-31-26-25(27(34)32-28)23(24-21(30-26)14-29(3,4)15-22(24)33)19-10-12-20(13-11-19)35-16-18-8-6-5-7-9-18/h5-13,17,23H,14-16H2,1-4H3,(H2,30,31,32,34)/t23-/m0/s1/f/h30,32H CC(C)Sc1[nH]c(=O)c2c(n1)NC3=C([C@@H]2c4ccc(cc4)OCc5ccccc5)C(=O)CC(C3)(C)C C01[X(C29H31N3O3S1)] 195 C01 606 CC(Sc1nc2NC3=C([C@@H](c2c(=O)[nH]1)c1ccc(cc1)OCc1ccccc1)C(=O)CC(C3)(C)C)C CC(S[C]1[N][C]2[C]([C](=O)N1)[C@@H]([C]1[CH][CH][C]([CH][CH]1)OC[C]1[CH][CH][CH][CH][CH]1)C1=C(N2)CC(CC1=O)(C)C)C CC(C)S[C]1[N][C]2NC3=C([C@H]([C]4[CH][CH][C]([CH][CH]4)OC[C]5[CH][CH][CH][CH][CH]5)[C]2C(=O)N1)C(=O)CC(C)(C)C3 InChIKey=QVVUPFJYIZGVOU-QHCPKHFHSA-N InChI=1S/C29H31N3O3S/c1-17(2)36-28-31-26-25(27(34)32-28)23(24-21(30-26)14-29(3,4)15-22(24)33)19-10-12-20(13-11-19)35-16-18-8-6-5-7-9-18/h5-13,17,23H,14-16H2,1-4H3,(H2,30,31,32,34)/t23-/m0/s1 InChI=1/C29H31N3O3S/c1-17(2)36-28-31-26-25(27(34)32-28)23(24-21(30-26)14-29(3,4)15-22(24)33)19-10-12-20(13-11-19)35-16-18-8-6-5-7-9-18/h5-13,17,23H,14-16H2,1-4H3,(H2,30,31,32,34)/t23-/m0/s1/f/h30,32H 3863.0656114142 -1901.7304465 1-A 26924.4450 133 473 606 |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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97310 -20.57697 -20.53289 -20.52388 -15.63173 -15.61232 -15.57624 -11.38448 -11.35710 -11.33651 -11.31521 -11.30392 -11.28787 -11.28261 -11.28165 -11.25649 -11.25311 -11.24105 -11.23839 -11.23308 -11.23275 -11.22659 -11.22646 -11.22585 -11.22542 -11.22520 -11.22463 -11.22411 -11.22339 -11.22101 -11.22051 -11.21976 -11.21363 -11.21341 -11.21217 -11.20497 -8.98463 -6.66766 -6.66579 -6.66414 -1.40735 -1.40415 -1.37953 -1.34785 -1.30080 -1.21579 -1.15261 -1.14809 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709.37 749.29 756.67 781.01 792.28 844.90 870.12 873.95 889.69 914.50 940.32 969.21 978.06 981.82 997.30 1004.46 1017.60 1031.14 1044.86 1112.01 1119.11 1148.70 1165.66 1194.00 1210.72 1230.35 1254.77 1282.10 1289.84 1320.58 1323.59 1355.71 1374.14 1374.45 1379.36 1432.30 1451.73 1474.92 1480.74 1483.50 1488.48 1502.63 1530.35 1535.25 1556.37 1568.02 1571.76 1584.32 1599.32 1616.48 1621.91 1625.92 1639.70 1640.75 1665.08 1695.96 1709.91 1721.51 1729.40 1748.70 1765.03 1770.57 1796.78 1814.66 1839.54 1848.96 1857.52 1866.52 1873.25 1875.75 1900.00 1910.82 1930.93 1933.96 1953.68 1970.10 2010.79 2012.88 2031.43 2037.45 2037.71 2067.06 2079.30 2114.45 2124.19 2125.67 2146.54 2153.82 2187.66 2236.44 2242.30 2246.02 2252.94 2267.25 2271.65 2290.69 2319.47 2322.39 2335.94 2338.64 2346.19 2351.07 2351.95 2363.61 2365.74 2376.50 2380.11 2386.40 2390.59 2402.34 2408.88 2439.44 2526.92 2558.96 2572.64 2612.67 2614.11 2620.47 2684.03 2819.85 2837.90 4587.45 4592.05 4593.74 4600.73 4613.53 4615.68 4622.68 4636.59 4656.24 4686.15 4695.87 4696.43 4701.10 4701.51 4707.47 4715.27 4723.16 4734.02 4758.65 4771.41 4814.87 4827.05 4830.78 4848.54 4863.20 4868.29 4887.71 4889.69 4890.48 5526.99 5586.41 0.592028 0.623420 0.624364 0.524315 -1901.138418 -1901.107027 -1901.106082 -1901.206132 3.355693D-04 MUNgauss RevisionA2.0 retrievium 26-Jul-2020 DUDE CC(C)Sc1[nH]c(=O)c2c(n1)NC3=C([C@@H]2c4ccc(cc4)OCc5ccccc5)C(=O)CC(C3)(C)C C33810441 RHF 6-31G(d) (6D,10F) C1 501.208614 |X|Y|Z| 84.546251 133.638825 43.782982 79.088034 28 6 7 8 24 3 1 |36.858105| |12.482573|36.858105| |7.513502|12.454705|36.858105| |6.821768|10.371720|7.029663|388.023441| |5.547911|6.751538|4.621439|76.844632|36.858105| |4.106962|4.678017|3.626554|51.621917|14.141477|53.358707| |3.782964|4.325420|3.535253|50.296164|9.306693|25.965646|0.500000| |3.353378|3.631427|2.920230|34.040539|7.851279|18.486632|0.259349|36.858105| |2.824095|3.026767|2.542664|27.908103|5.458196|11.544386|0.218707|15.898925|73.516695| |3.403943|3.590348|2.837820|30.180238|6.978038|10.917340|0.161674|13.216925|14.290670|36.858105| |4.167297|4.409372|3.302975|34.516594|8.461888|9.884422|0.146105|7.973133|9.604057|14.095571|36.858105| |5.674612|6.439457|4.325272|50.613828|14.898959|11.231321|0.165231|6.736283|8.423685|7.857042|13.892771|53.358707| |3.793566|3.863865|2.995709|27.256677|5.507950|6.495933|0.106050|5.200545|7.176827|8.056426|13.884491|11.294385|53.358707| |2.979098|3.026161|2.473295|21.714035|4.115817|5.296812|0.090065|4.525730|6.703722|6.853651|7.952631|7.247128|18.761202|36.858105| |2.646078|2.701916|2.247008|20.330067|3.862102|5.370603|0.092314|4.997438|7.725092|7.700604|6.847256|6.266001|10.971775|14.245957|36.858105| |2.746303|2.822826|2.329563|22.569932|4.489975|6.850165|0.115471|7.443279|11.480027|12.580034|7.580307|6.807129|9.056342|7.596339|12.527610|36.858105| |2.470031|2.587349|2.185112|21.007163|4.026463|6.379728|0.111888|6.977564|12.269306|8.980279|5.830727|5.796994|6.983481|5.851186|8.969114|17.603440|0.500000| |2.568733|2.544723|2.125206|20.223794|3.805474|5.836436|0.103311|5.907189|10.106406|7.539826|5.455558|5.543181|6.788095|5.464217|7.544460|12.449530|0.250009|36.858105| |2.208890|2.201669|1.887282|17.640231|3.155463|4.949799|0.092220|4.847088|9.370109|5.279636|4.009775|4.401798|5.020622|4.033428|5.321298|7.492475|0.206303|13.678146|36.858105| |2.045721|2.003195|1.737905|15.853965|2.725374|4.187768|0.080091|3.816324|7.335480|3.996328|3.271147|3.765927|4.179020|3.284540|4.016554|4.989689|0.134254|7.886552|13.825564|36.858105| |2.131127|2.036008|1.758703|15.823393|2.688886|4.009748|0.076392|3.501503|6.403118|3.732998|3.212758|3.758130|4.177800|3.215620|3.737233|4.396328|0.111169|6.796301|7.935197|13.698396|36.858105| |2.447031|2.295513|1.944361|17.586496|3.053552|4.432795|0.082236|3.838328|6.614798|4.316911|3.820518|4.389732|5.035767|3.809373|4.303874|4.970174|0.116523|7.856346|6.890377|7.949093|13.753612|36.858105| |2.739572|2.608964|2.160611|20.137766|3.704211|5.381093|0.095725|4.912218|8.026789|6.124425|5.191833|5.509968|6.772738|5.161457|6.078883|7.489009|0.156005|13.772594|8.022205|6.924476|7.948553|13.704809|36.858105| |1.917481|1.822022|1.599448|14.029990|2.303897|3.397051|0.066049|2.856348|5.260850|2.965260|2.635600|3.187444|3.458899|2.638176|2.969160|3.351978|0.087236|4.586414|5.291692|8.189259|14.074750|7.853239|5.193062|73.516695| |1.918114|1.790060|1.576928|13.545723|2.181815|3.143502|0.061248|2.558517|4.601609|2.664489|2.454522|3.032137|3.261114|2.445809|2.654361|2.904227|0.074538|3.769636|3.984732|5.255632|7.993734|6.705626|4.505026|24.190831|36.858105| |1.689623|1.585424|1.419166|11.967058|1.884000|2.711233|0.053603|2.172673|3.952151|2.222443|2.062790|2.592476|2.741852|2.054477|2.212496|2.393960|0.062901|2.961155|3.190002|4.067940|5.209831|4.400831|3.337445|14.262105|12.613060|36.858105| |1.599650|1.517522|1.368129|11.600384|1.813143|2.643979|0.052940|2.118148|3.929298|2.119048|1.945046|2.459462|2.550643|1.905930|2.067328|2.270471|0.060799|2.771496|3.078696|3.935513|4.624699|3.767555|2.993657|12.041596|7.543199|13.703806|36.858105| |1.446706|1.376031|1.254140|10.458084|1.609965|2.333149|0.047020|1.845767|3.421153|1.838838|1.705138|2.178829|2.245578|1.676017|1.801427|1.953036|0.052745|2.312060|2.540512|3.103864|3.472989|2.963320|2.459884|8.133135|5.017608|7.915574|13.766641|36.858105| |1.379690|1.305457|1.194547|9.792960|1.497384|2.142488|0.043026|1.680669|3.076927|1.691441|1.590489|2.041087|2.118369|1.582119|1.681407|1.790811|0.048120|2.091475|2.248224|2.677795|3.019846|2.681285|2.247981|6.824050|4.433400|6.834446|7.924944|13.735161|36.858105| |1.435557|1.347379|1.227609|10.006721|1.535893|2.176932|0.043365|1.706801|3.086729|1.741794|1.652111|2.114199|2.222921|1.663112|1.755809|1.848624|0.049120|2.168321|2.289473|2.717361|3.164882|2.881622|2.381655|7.160740|5.025297|7.901767|6.879544|7.956884|13.768643|36.858105| |1.584723|1.479497|1.333976|10.994654|1.709605|2.423417|0.047887|1.915888|3.445820|1.975070|1.868090|2.368224|2.518567|1.887932|2.000348|2.112045|0.055456|2.535221|2.662141|3.227821|3.967960|3.607441|2.857930|9.434360|7.591349|13.733461|7.961756|6.897987|7.939867|13.737680|36.858105| |2.203013|2.243377|1.924688|16.714962|2.990155|4.200637|0.075318|3.780559|6.287653|4.976662|4.484613|4.634425|6.983756|7.833712|12.910206|7.422527|0.194963|5.937155|4.958639|3.880530|3.523509|3.824662|4.862469|5.110165|2.545890|2.159058|2.022823|1.776090|1.664656|1.737216|1.967227|36.858105| |2.008113|2.053328|1.784632|15.589605|2.745704|3.978172|0.072795|3.631283|6.359614|4.464853|3.825599|4.093996|5.526288|5.415663|8.148401|6.710392|0.204194|5.841069|5.534543|4.244815|3.634749|3.715037|4.510073|5.295462|2.568687|2.201663|2.092306|1.837256|1.707468|1.764502|1.988090|15.900609|73.516695| |2.067706|2.085917|1.812335|15.024878|2.593170|3.524161|0.064001|3.000964|4.967572|3.790444|3.716413|4.056659|6.132182|6.684208|7.449712|4.839042|0.125940|4.236013|3.672185|3.123874|2.973435|3.248013|3.886122|4.493724|2.311948|1.991512|1.849328|1.645113|1.566424|1.649146|1.856220|12.561664|14.306654|36.858105| |2.216273|2.253991|1.955842|15.781882|2.703182|3.546885|0.064016|2.916566|4.699790|3.695913|3.901637|4.348247|6.889327|7.464455|6.467617|4.274264|0.109588|3.589386|3.054990|2.631503|2.555507|2.841658|3.402860|3.918414|2.061708|1.790809|1.666278|1.494662|1.431372|1.507201|1.684562|7.450900|9.407959|12.405580|36.858105| |2.677335|2.691185|2.266542|18.478030|3.252216|4.120444|0.072662|3.344027|5.171885|4.454216|5.126767|5.532257|10.642452|12.627778|7.561001|4.850278|0.115586|3.989358|3.204054|2.747886|2.734507|3.172501|3.945452|4.135390|2.200796|1.882316|1.738123|1.547988|1.480641|1.565884|1.764393|6.520920|8.231360|7.652850|12.382661|36.858105| |2.135314|2.237384|1.968049|15.815947|2.683101|3.539841|0.064339|2.888365|4.691078|3.550994|3.707266|4.238425|6.142409|5.983215|5.494035|3.963431|0.107706|3.200600|2.802641|2.393911|2.274112|2.468402|2.929294|3.517980|1.840299|1.621017|1.531894|1.384388|1.320693|1.375858|1.521058|6.127342|8.647866|7.553294|12.389345|7.541513|36.858105| |2.011747|2.018859|1.784288|13.848923|2.287652|2.978544|0.054670|2.384645|3.893265|2.893711|3.080309|3.618323|5.250333|4.934238|4.347049|3.227466|0.083693|2.886300|2.535824|2.271134|2.248892|2.480981|2.840027|3.541641|1.899063|1.672990|1.550153|1.404685|1.360787|1.440860|1.599959|4.904187|6.995497|7.586260|12.424936|7.604607|7.626485|36.858105| |17.563645|8.794872|6.850996|44.993066|4.853518|5.226206|0.102129|3.131747|4.805892|3.077866|3.585298|6.301350|4.398150|2.625062|2.392659|2.523979|0.063707|2.415760|2.113824|1.985434|2.077944|2.361562|2.584428|3.362832|1.905467|1.691318|1.608927|1.460027|1.391885|1.443625|1.587082|2.021508|3.319886|1.891985|1.996398|2.363518|1.924274|1.824101|0.500000| |17.531717|8.871101|6.856746|36.117962|4.381526|4.620329|0.087227|2.891654|4.401053|3.002688|3.664813|6.397537|4.802621|2.826703|2.478407|2.503104|0.062778|2.346358|2.029592|1.891192|1.976534|2.264085|2.511188|3.187447|1.805988|1.600713|1.509379|1.372878|1.319156|1.378224|1.516576|2.095817|3.382095|2.006536|2.178035|2.628414|2.092472|2.011774|0.300917|0.500000| |17.613845|8.787178|5.474820|45.248898|6.223367|6.170249|0.111679|3.768284|5.515366|3.945697|4.993257|9.324394|6.142117|3.423581|3.007428|3.132849|0.076399|2.947759|2.476020|2.282824|2.403416|2.826025|3.216231|3.793948|2.135727|1.851773|1.737918|1.556646|1.481142|1.549018|1.727498|2.450259|3.931398|2.281524|2.432833|3.006988|2.300585|2.184204|0.300640|0.301411|0.500000| |8.865156|17.645156|8.859792|57.103987|6.811844|6.299435|0.114437|3.720796|5.432161|3.843371|4.959687|10.133067|6.081844|3.408318|2.956659|3.010037|0.076316|2.638069|2.256233|2.027404|2.047526|2.317150|2.678413|3.233561|1.776443|1.567890|1.495745|1.354704|1.286857|1.331366|1.464715|2.430748|3.901873|2.273018|2.509079|3.044385|2.511517|2.229522|0.173319|0.213020|0.212600|0.500000| |6.764192|8.756012|17.550421|46.598552|4.201093|4.691308|0.096207|2.772769|4.368429|2.637804|2.982859|5.167565|3.654790|2.252932|2.081463|2.186250|0.057212|2.031394|1.824006|1.696894|1.722964|1.892796|2.073983|2.807480|1.563614|1.415001|1.369786|1.259228|1.198689|1.228210|1.330165|1.797171|2.990076|1.686973|1.795829|2.060012|1.797587|1.645184|0.201585|0.166812|0.139110|0.173019|0.500000| |5.470589|8.754677|17.582723|46.725840|4.441209|4.872861|0.098037|2.892816|4.516423|2.783328|3.191774|5.579301|3.927537|2.416470|2.211985|2.293044|0.060593|2.064570|1.847096|1.690426|1.690817|1.850642|2.062684|2.732172|1.503368|1.357986|1.315955|1.209016|1.149426|1.176690|1.274678|1.907016|3.158854|1.792175|1.938351|2.217219|1.984915|1.762401|0.139553|0.140899|0.122569|0.213989|0.300795|0.500000| |6.940300|8.873392|17.557652|36.739380|3.867884|4.220628|0.083078|2.592812|4.043511|2.582802|3.020845|5.205868|3.871516|2.372198|2.132560|2.167803|0.056352|1.988674|1.767748|1.637274|1.666261|1.845584|2.038341|2.708091|1.511604|1.364488|1.309811|1.204800|1.154336|1.190788|1.291933|1.844695|3.027932|1.763509|1.920269|2.225137|1.924578|1.776281|0.172159|0.208032|0.141343|0.211015|0.301924|0.301110|0.500000| |4.146203|4.211788|3.238653|27.548872|5.205130|5.801283|0.097185|4.329049|6.133542|5.897932|9.447463|10.856267|26.073119|9.229186|5.858543|4.943867|0.113320|3.979186|3.099797|2.664276|2.695551|3.211396|4.077802|4.068509|2.195575|1.870162|1.739358|1.545382|1.468813|1.544228|1.738289|4.242606|6.113526|3.999783|4.755116|7.427715|4.311557|3.827749|0.095128|0.110194|0.135987|0.141156|0.079043|0.085994|0.086977|0.500000| |2.078052|2.109898|1.828563|17.049559|3.021460|4.810784|0.090923|4.749034|9.716944|4.964358|3.741705|4.157789|4.658685|3.773902|5.023660|6.977708|0.229812|8.918862|17.733789|8.980602|5.654096|4.962368|5.684236|7.615971|3.333255|2.800687|2.771631|2.344958|2.077956|2.089310|2.376045|4.913651|10.507312|3.588240|2.984186|3.038422|2.831909|2.465928|0.055230|0.053143|0.063785|0.060283|0.049035|0.050250|0.047476|0.080665|0.500000| |1.851655|1.823619|1.604707|14.436230|2.423126|3.725408|0.072703|3.317506|6.530691|3.367241|2.806146|3.307455|3.596307|2.819989|3.387426|4.068632|0.114621|5.615235|8.900289|17.734175|8.959840|5.665723|4.980082|13.479743|4.871399|4.084972|4.181723|3.320399|2.801164|2.770880|3.219008|3.383300|6.741983|2.793416|2.365992|2.421251|2.188384|2.073048|0.050242|0.047760|0.056646|0.051104|0.043719|0.043567|0.042053|0.064771|0.215298|0.500000| |2.480253|2.272995|1.930859|17.032803|2.881452|4.062392|0.075897|3.360315|5.698954|3.743897|3.501717|4.164562|4.713591|3.484340|3.727129|4.076158|0.096537|5.630044|4.964428|5.636154|8.865603|17.755709|8.943585|12.445608|7.410925|4.684831|3.805939|3.010181|2.786591|3.079471|3.952796|3.334692|5.653783|2.968409|2.665444|3.007857|2.301930|2.387106|0.066900|0.064284|0.079884|0.063326|0.052412|0.050590|0.051299|0.085906|0.107740|0.124172|0.500000| |3.110503|2.904314|2.355642|21.793673|4.068627|5.585376|0.097119|4.850929|7.447177|6.418424|6.117598|6.383630|8.385923|6.014495|6.312690|6.940585|0.140435|8.927742|5.673336|4.977363|5.667272|8.974154|17.698101|7.458353|3.913594|2.987641|2.665292|2.236210|2.079439|2.220673|2.640693|4.735306|7.353431|3.960111|3.640606|4.505445|3.073622|3.037169|0.080040|0.079304|0.104359|0.083572|0.062233|0.061815|0.062019|0.138517|0.124451|0.107963|0.218477|0.500000| |2.084579|1.922714|1.684762|14.601598|2.343156|3.368622|0.065777|2.703130|4.818030|2.782387|2.582381|3.232338|3.382984|2.476474|2.649028|2.937982|0.074542|3.781878|3.852085|4.840220|7.185617|6.879882|4.655558|16.593019|17.522361|8.900510|6.387340|4.507949|4.005689|4.451877|6.239127|2.472621|4.375290|2.237258|2.030928|2.206617|1.820469|1.863712|0.057984|0.054151|0.064860|0.052531|0.046633|0.044320|0.044726|0.063451|0.089367|0.121374|0.227751|0.114962|0.500000| |1.920885|1.782934|1.567796|13.270188|2.142453|3.036477|0.058569|2.465299|4.357415|2.633545|2.467908|3.029916|3.357921|2.546515|2.735177|2.898137|0.073508|3.719662|3.788630|4.756420|7.040255|6.747214|4.575881|16.539642|17.549569|8.904004|5.623948|4.203251|3.985636|4.767880|7.275528|2.647320|4.682339|2.450794|2.177946|2.327041|1.912368|2.025680|0.052595|0.050681|0.059635|0.049488|0.042944|0.041447|0.042014|0.063036|0.088100|0.119723|0.225724|0.113366|0.301560|0.500000| |1.653297|1.579792|1.420159|12.244252|1.927002|2.852380|0.057362|2.308435|4.351861|2.278292|2.057575|2.591637|2.663094|1.987362|2.180921|2.446445|0.066029|3.021427|3.455572|4.545622|5.162621|4.001484|3.196490|13.365594|6.998331|8.924996|17.741887|8.921956|5.641937|4.957348|5.660303|2.122829|3.939332|1.908981|1.714043|1.788743|1.585597|1.577283|0.046184|0.043032|0.049931|0.043216|0.039509|0.038048|0.037552|0.050089|0.086510|0.138652|0.107857|0.077600|0.172647|0.142149|0.500000| |1.386738|1.327963|1.216535|10.151992|1.554289|2.264915|0.045977|1.787865|3.344021|1.761781|1.627814|2.088573|2.131374|1.588237|1.710244|1.863259|0.050825|2.179820|2.415106|2.911025|3.136190|2.677229|2.275592|7.037889|4.091689|5.639056|8.935500|17.711518|8.910122|5.653135|4.964521|1.688254|3.122755|1.559137|1.420328|1.465245|1.327340|1.332707|0.038956|0.036503|0.041220|0.036265|0.034003|0.032691|0.032399|0.040779|0.062939|0.088017|0.074328|0.057524|0.105226|0.096662|0.215542|0.500000| |1.286286|1.220616|1.124279|9.135021|1.385633|1.977986|0.039868|1.542465|2.825199|1.547274|1.460824|1.885017|1.947444|1.453005|1.537959|1.630368|0.044034|1.875729|2.009448|2.348243|2.589158|2.329482|1.995887|5.636375|3.545952|4.931666|5.639218|8.900732|17.713597|8.912074|5.643618|1.527262|2.786266|1.445034|1.327456|1.367599|1.231781|1.268014|0.036103|0.034261|0.038130|0.033407|0.031385|0.030108|0.030230|0.037679|0.052204|0.068409|0.066911|0.051697|0.091106|0.090685|0.124080|0.214647|0.500000| |1.369677|1.283300|1.174536|9.449225|1.441057|2.026773|0.040348|1.578817|2.838625|1.617465|1.548455|1.990533|2.097903|1.569395|1.642920|1.709956|0.045420|1.976950|2.062571|2.396221|2.755829|2.573223|2.168955|5.980057|4.101766|5.633532|4.955004|5.649924|8.913528|17.711879|8.918958|1.630615|2.929786|1.565888|1.440161|1.493093|1.314470|1.389537|0.038252|0.036743|0.040905|0.035257|0.032634|0.031261|0.031784|0.040743|0.052622|0.067399|0.076810|0.056941|0.103639|0.113370|0.107592|0.124142|0.214599|0.500000| |1.623686|1.505430|1.353979|11.061019|1.722210|2.414664|0.047386|1.903120|3.380654|1.988785|1.903253|2.410105|2.597754|1.950346|2.045963|2.126744|0.055302|2.540210|2.605402|3.093670|3.848761|3.675670|2.918528|8.651462|7.047101|8.912619|5.651437|4.963104|5.651083|8.929677|17.692792|2.011547|3.572110|1.921405|1.749047|1.839695|1.563687|1.673816|0.044997|0.043402|0.049343|0.041522|0.037388|0.035831|0.036586|0.050004|0.064255|0.083648|0.115796|0.076151|0.165707|0.221937|0.124270|0.107688|0.124216|0.215914|0.500000| |1.859638|1.886438|1.663784|13.647021|2.309742|3.170264|0.058448|2.681157|4.540662|3.250690|3.139606|3.531712|4.953239|4.940511|5.561813|4.070840|0.111703|3.651626|3.346674|2.898683|2.718719|2.873050|3.313826|4.194305|2.151324|1.885424|1.766369|1.584926|1.511459|1.583242|1.765148|8.996484|13.588274|17.584776|8.740637|5.520617|6.956977|6.780865|0.047651|0.050248|0.056309|0.056757|0.043211|0.045972|0.045024|0.091794|0.093425|0.073848|0.073143|0.091615|0.057354|0.063036|0.050610|0.041919|0.038918|0.041864|0.050516|0.500000| |2.046597|2.025671|1.758977|14.483500|2.478076|3.355196|0.061181|2.832439|4.698060|3.543030|3.500349|3.869144|5.775865|5.978753|6.420323|4.468622|0.112738|4.244277|3.677259|3.236384|3.177781|3.523327|4.120267|4.819263|2.504691|2.139013|1.956132|1.733105|1.660026|1.766442|2.005818|9.050485|11.764459|17.488196|8.821754|6.898065|5.500433|7.091001|0.052265|0.055379|0.063133|0.060757|0.045729|0.047887|0.047737|0.105723|0.096491|0.079793|0.090653|0.117170|0.066759|0.075223|0.055598|0.045251|0.042362|0.046663|0.058281|0.302585|0.500000| |2.664688|2.595348|2.189404|17.573089|3.035765|3.834658|0.068217|3.075777|4.796607|4.001471|4.584504|5.111118|9.135791|9.024426|6.224768|4.342701|0.102282|3.865147|3.111708|2.746405|2.815567|3.335705|4.061572|4.286360|2.319473|1.971476|1.796051|1.596863|1.537835|1.642721|1.862947|5.562984|7.356747|6.699637|8.798765|17.500454|5.512821|7.270644|0.065686|0.073403|0.083949|0.080300|0.055700|0.058725|0.060191|0.183282|0.080145|0.066957|0.090058|0.132357|0.064577|0.069254|0.050898|0.041699|0.039356|0.043649|0.054555|0.137963|0.197255|0.500000| |2.823541|2.876486|2.428892|19.145153|3.301471|4.057092|0.071758|3.173270|4.870404|4.092616|4.954497|5.696459|10.164895|8.939160|5.732993|4.134619|0.101137|3.403580|2.793026|2.425298|2.418202|2.779410|3.379738|3.714533|1.996461|1.727809|1.604913|1.440335|1.381527|1.456817|1.628451|4.931006|6.733658|5.548879|8.809265|17.518228|7.146905|6.722369|0.068222|0.078142|0.086909|0.092620|0.060450|0.066230|0.066891|0.231667|0.074388|0.060080|0.074192|0.107278|0.056067|0.058242|0.045826|0.038015|0.035616|0.038735|0.047091|0.123414|0.139729|0.303763|0.500000| |1.905311|1.991541|1.778269|14.176469|2.360634|3.161832|0.058353|2.580001|4.291654|3.070935|3.115225|3.633048|4.937002|4.608941|4.544141|3.472994|0.097213|2.903881|2.629918|2.274671|2.144560|2.282659|2.646808|3.356604|1.751576|1.558568|1.479595|1.344567|1.284713|1.334771|1.467264|5.461496|8.361555|6.902529|8.779494|5.484809|17.553263|6.938837|0.048234|0.051937|0.056581|0.061283|0.045491|0.049970|0.048364|0.096295|0.074816|0.058597|0.059140|0.075593|0.047761|0.050518|0.042487|0.035904|0.033388|0.035488|0.041803|0.209020|0.142074|0.123236|0.143426|0.500000| |2.181349|2.302436|2.040976|15.918242|2.648394|3.418252|0.062348|2.707765|4.361321|3.268231|3.540167|4.205944|5.884443|5.251343|4.529654|3.454926|0.093058|2.830873|2.482125|2.152203|2.069503|2.255871|2.648559|3.234236|1.711664|1.516519|1.434184|1.302763|1.247613|1.300059|1.431158|4.654995|6.826542|5.485923|8.762435|6.831127|17.536551|6.992599|0.054231|0.060037|0.064624|0.072686|0.051341|0.057409|0.055930|0.121221|0.069275|0.054875|0.059235|0.078287|0.047360|0.049362|0.041112|0.034737|0.032424|0.034630|0.040930|0.141391|0.123049|0.143209|0.212772|0.301761|0.500000| |2.236485|2.381197|2.078574|17.228520|2.989658|3.999364|0.072084|3.326794|5.379517|4.140298|4.218542|4.705685|6.750655|6.574800|6.405138|4.641326|0.129708|3.532440|3.073162|2.558150|2.387756|2.580832|3.119852|3.653096|1.890013|1.658993|1.577998|1.420655|1.345327|1.393803|1.542146|6.774109|9.671251|6.809965|8.693905|6.841587|17.571687|5.500583|0.055946|0.060049|0.067012|0.074417|0.052668|0.058619|0.055774|0.126683|0.087678|0.064744|0.065898|0.090046|0.052136|0.054008|0.045731|0.037955|0.034807|0.036807|0.043759|0.171613|0.138625|0.138272|0.178908|0.302110|0.301627|0.500000| |2.003133|1.974422|1.741242|13.492758|2.220702|2.890866|0.053160|2.310791|3.778938|2.797402|2.975158|3.506423|5.061809|4.665614|4.138076|3.129603|0.079866|2.905887|2.549328|2.322920|2.343838|2.611286|2.946229|3.708394|2.008964|1.762952|1.616186|1.462002|1.424035|1.520536|1.697206|4.604641|6.640067|6.923121|8.744238|6.900010|5.506067|17.543428|0.050670|0.055808|0.060820|0.059999|0.044848|0.047354|0.048275|0.102359|0.067716|0.058672|0.070722|0.088101|0.054571|0.060317|0.045373|0.038305|0.036771|0.040840|0.049758|0.167589|0.213862|0.217689|0.163364|0.141371|0.141599|0.122325|0.500000| |2.055502|2.070208|1.840898|13.936388|2.269321|2.907916|0.053475|2.281757|3.700029|2.737793|2.988464|3.605312|5.103007|4.512151|3.824427|2.937272|0.076231|2.610541|2.293225|2.064239|2.054449|2.271521|2.588994|3.258755|1.762682|1.561953|1.451503|1.321615|1.283340|1.357076|1.499509|4.044327|5.914736|5.494790|8.759913|6.920186|6.928083|17.531883|0.051457|0.057743|0.061472|0.064069|0.046842|0.050579|0.051351|0.107766|0.062043|0.052531|0.061295|0.077776|0.048460|0.051994|0.040984|0.034907|0.033327|0.036465|0.043566|0.138978|0.143235|0.182624|0.199634|0.170314|0.209422|0.141149|0.301226|0.500000| 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