Version2.0 2020-01-20T17:51:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CN(C[C@@H](O1)C)c2nc3c(n2C[C@@H](C)CSc4nnnn4c5ccccc5)c(=O)[nH]c(=O)n3C C10249360 RHF 6-31G(d) (6D,7F) C[C@H]1CN(C[C@@H](O1)C)c2nc3c(n2C[C@@H](C)CSc4nnnn4c5ccccc5)c(=O)[nH]c(=O)n3C C01[X(C23H29N9O3S1)] 189 C1 602 C[C@H](Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1C[C@H](C)O[C@H](C1)C)CSc1nnnn1c1ccccc1 C[C@H](Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1C[C@H](C)O[C@H](C1)C)CSc1nnnn1c1ccccc1 C[C@@H](CSc1nnnn1c2ccccc2)Cn3c(nc4N(C)C(=O)NC(=O)c34)N5C[C@H](C)O[C@@H](C)C5 InChIKey=NUHKMCGROQHXEQ-PMPSAXMXSA-N InChI=1S/C23H29N9O3S/c1-14(13-36-23-26-27-28-32(23)17-8-6-5-7-9-17)10-31-18-19(29(4)22(34)25-20(18)33)24-21(31)30-11-15(2)35-16(3)12-30/h5-9,14-16H,10-13H2,1-4H3,(H,25,33,34)/t14-,15+,16+/m1/s1 InChI=1/C23H29N9O3S/c1-14(13-36-23-26-27-28-32(23)17-8-6-5-7-9-17)10-31-18-19(29(4)22(34)25-20(18)33)24-21(31)30-11-15(2)35-16(3)12-30/h5-9,14-16H,10-13H2,1-4H3,(H,25,33,34)/t14-,15+,16+/m1/s1/f/h25H C[C@H]1CN(C[C@@H](O1)C)c2nc3c(n2C[C@@H](C)CSc4nnnn4c5ccccc5)c(=O)[nH]c(=O)n3C C01[X(C23H29N9O3S1)] 189 C01 602 C[C@H](Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1C[C@H](C)O[C@H](C1)C)CSc1nnnn1c1ccccc1 C[C@H](CN1[C@@H](N[C@H]2[C@@H]1C(=O)NC(=O)N2C)N1C[C@H](C)O[C@H](C1)C)CS[C@@H]1NNNN1c1ccccc1 C[C@@H](CS[C@@H]1NNNN1c2ccccc2)CN3[C@@H](N[C@H]4[C@@H]3C(=O)NC(=O)N4C)N5C[C@H](C)O[C@@H](C)C5 InChIKey=MXFXOBLWYLBNGB-NNIZNCSESA-N InChI=1S/C23H37N9O3S/c1-14(13-36-23-26-27-28-32(23)17-8-6-5-7-9-17)10-31-18-19(29(4)22(34)25-20(18)33)24-21(31)30-11-15(2)35-16(3)12-30/h5-9,14-16,18-19,21,23-24,26-28H,10-13H2,1-4H3,(H,25,33,34)/t14-,15+,16+,18-,19-,21+,23-/m1/s1 InChI=1/C23H37N9O3S/c1-14(13-36-23-26-27-28-32(23)17-8-6-5-7-9-17)10-31-18-19(29(4)22(34)25-20(18)33)24-21(31)30-11-15(2)35-16(3)12-30/h5-9,14-16,18-19,21,23-24,26-28H,10-13H2,1-4H3,(H,25,33,34)/t14-,15+,16+,18-,19-,21+,23-/m1/s1/f/h25H 4030.0879881829 -1999.9956438 1-A 26176.2202 135 467 602 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97808 -20.56906 -20.54282 -20.53684 -15.67696 -15.65055 -15.64632 -15.63725 -15.62918 -15.61744 -15.59734 -15.58903 -15.56755 -11.40374 -11.37900 -11.36414 -11.35131 -11.32892 -11.30403 -11.29329 -11.29243 -11.29122 -11.27706 -11.27642 -11.26778 -11.26699 -11.26479 -11.25955 -11.25789 -11.25760 -11.25493 -11.25400 -11.25318 -11.22940 -11.22463 -11.22227 -8.98833 -6.67139 -6.66968 -6.66772 -1.51331 -1.43847 -1.40857 -1.40229 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14.00307 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 13693.2405 36699.8984 45851.2295 0.99983 -0.01839 -0.00283 0.01839 0.99983 0.00192 0.00279 -0.00198 0.99999 1 0.00633 0.00236 0.00189 0.13180 0.04918 0.03936 12.45 16.96 28.37 38.59 47.63 55.56 65.09 76.91 84.43 90.18 96.17 137.50 150.04 158.53 168.56 179.45 197.78 228.03 253.24 272.99 275.69 308.26 327.81 335.60 347.98 359.10 364.41 376.41 395.34 416.77 431.85 447.04 484.10 516.83 542.23 566.23 589.79 592.75 620.93 630.39 649.03 659.98 676.56 699.46 719.98 724.85 760.05 794.09 799.08 853.60 888.59 894.11 928.52 970.49 1001.93 1036.06 1094.64 1104.38 1109.39 1133.07 1134.45 1163.55 1167.56 1196.48 1203.91 1229.32 1232.45 1239.96 1245.16 1269.30 1286.58 1321.63 1370.43 1374.73 1378.14 1424.43 1441.47 1456.58 1477.23 1480.13 1510.65 1519.51 1550.67 1572.37 1590.41 1605.15 1624.51 1627.88 1628.37 1657.78 1661.85 1671.06 1701.25 1735.40 1738.27 1743.68 1760.03 1770.46 1777.76 1804.13 1821.23 1824.78 1830.36 1840.15 1849.10 1866.39 1872.67 1897.98 1901.51 1927.33 1934.13 1945.05 1991.89 2004.54 2030.89 2054.83 2069.84 2084.25 2116.36 2122.86 2143.38 2165.44 2172.74 2187.52 2193.80 2202.02 2223.77 2231.66 2244.10 2248.14 2253.61 2257.60 2271.22 2274.32 2280.02 2293.42 2310.75 2311.23 2332.40 2339.28 2346.22 2350.31 2352.11 2361.95 2365.89 2366.07 2366.50 2374.45 2376.53 2378.80 2384.19 2406.35 2424.52 2428.97 2492.15 2581.53 2590.08 2603.71 2808.32 2831.74 4575.50 4606.41 4622.38 4624.39 4625.38 4627.74 4676.98 4682.60 4691.98 4701.05 4713.85 4715.28 4716.03 4723.50 4731.28 4732.28 4742.91 4744.60 4747.41 4771.63 4785.57 4803.99 4846.72 4864.49 4873.68 4878.41 4893.15 4899.70 5547.74 0.569092 0.600870 0.601814 0.499907 -1999.426552 -1999.394774 -1999.393830 -1999.495737 3.417978D-04 MUNgauss RevisionA2.0 retrievium 20-Jan-2020 DUDE C[C@H]1CN(C[C@@H](O1)C)c2nc3c(n2C[C@@H](C)CSc4nnnn4c5ccccc5)c(=O)[nH]c(=O)n3C C10249360 RHF 6-31G(d) (6D,10F) C1 511.211408 |X|Y|Z| 135.590312 79.591649 38.166092 74.403144 30 6 7 8 16 19 9 1 1 |36.858105| |12.482580|36.858105| |8.944698|17.588453|0.500000| |7.453958|12.482520|0.249405|36.858105| |6.150259|7.805247|0.157900|13.024635|53.358707| |5.159336|6.700416|0.141591|7.913389|17.655731|36.858105| |6.227059|7.972027|0.162678|6.706189|10.632101|12.510865|36.858105| |6.861982|7.073064|0.144412|5.840665|9.608534|8.942731|17.519986|0.500000| |7.810759|13.517355|0.267227|7.919698|9.305457|7.937374|13.567284|0.258576|73.516695| |4.341890|5.186667|0.122538|4.533470|6.824444|7.545946|12.549364|0.247332|14.400185|36.858105| |4.441294|5.142620|0.117662|7.956381|18.695655|7.945908|5.147323|0.134569|8.191487|3.875458|36.858105| |3.747973|4.427408|0.108941|6.808259|10.841561|5.722737|4.088800|0.104539|6.981190|3.285732|14.495557|53.358707| |3.075295|3.423587|0.085775|4.666015|7.512910|4.431976|3.331181|0.087936|5.566105|2.802475|9.063877|19.288879|36.858105| |3.047666|3.256200|0.079796|4.218967|7.388397|4.478580|3.373905|0.092105|5.403224|2.841954|8.765893|11.600840|14.030994|36.858105| |3.752467|3.994450|0.093439|5.265036|10.869962|6.122655|4.336409|0.120523|6.635084|3.457139|14.210539|11.683597|8.720744|13.677825|53.358707| |3.734995|3.709717|0.086044|4.394980|8.694682|5.509343|4.312274|0.129440|6.338288|3.484885|7.567975|7.154573|5.295463|7.503711|17.795216|36.858105| |3.481068|3.254759|0.077499|3.720065|6.484942|3.998695|3.440428|0.105354|5.370317|2.840950|5.411567|5.804550|4.453748|5.981702|10.352267|12.382930|36.858105| |2.970922|2.845202|0.069338|3.287276|5.533218|3.474943|2.967231|0.088238|4.713280|2.519604|4.859631|5.599656|4.620015|6.489893|9.416171|8.937052|17.585924|0.500000| |4.097377|3.645074|0.086896|4.172381|6.784132|3.868654|3.443905|0.105686|5.663280|2.762192|5.399085|5.954410|4.322205|5.161819|8.645902|7.485883|12.444826|0.246024|36.858105| |3.164843|2.880492|0.069274|3.090394|5.183684|3.464722|3.178535|0.100416|4.910292|2.722958|3.973071|4.415467|3.319771|4.163096|6.827325|7.729679|12.404629|0.247128|7.471050|36.858105| |2.622554|2.367726|0.058731|2.506672|3.941354|2.631506|2.474146|0.076418|3.988883|2.175614|3.037059|3.599952|2.756776|3.308472|4.931034|4.637967|6.878818|0.185086|5.780375|10.430678|388.023441| |2.379269|2.142536|0.053519|2.196919|3.409676|2.374122|2.307030|0.071864|3.701745|2.088969|2.539867|3.028126|2.277841|2.659467|3.984836|3.685531|4.621129|0.120803|4.022492|7.003558|77.447801|36.858105| |2.430816|2.193575|0.054502|2.214990|3.466564|2.482638|2.453016|0.077387|3.869588|2.252992|2.528462|2.980658|2.211463|2.570754|3.932498|3.690682|4.282928|0.108250|3.670431|6.535995|49.629570|14.711091|53.358707| |2.141443|1.940636|0.048885|1.936904|2.965734|2.147288|2.152540|0.067124|3.444339|2.018566|2.151592|2.584740|1.914193|2.179873|3.271256|2.936190|3.295778|0.085570|2.948434|4.482204|35.486842|9.059607|19.347711|53.358707| |1.983590|1.798250|0.045702|1.804795|2.727245|1.947947|1.940217|0.059799|3.154472|1.812937|1.999406|2.436431|1.817899|2.056978|3.028737|2.657276|3.051436|0.081229|2.796280|3.987576|35.178563|8.848389|12.123004|20.804489|53.358707| |2.086524|1.885841|0.047789|1.919480|2.912135|2.038147|1.998943|0.061502|3.259896|1.836056|2.165844|2.638251|1.986902|2.271149|3.324933|2.936697|3.547755|0.095715|3.247380|4.723916|49.391233|14.237277|12.143949|12.449060|19.352386|53.358707| |1.913148|1.736540|0.044475|1.777103|2.653098|1.837853|1.794150|0.054484|2.972458|1.647542|1.992222|2.471891|1.875189|2.117488|3.029928|2.588267|3.137587|0.087261|2.977363|3.852541|41.015683|7.559401|7.330786|7.547829|10.752466|18.195591|36.858105| |1.832639|1.651299|0.042645|1.670127|2.451199|1.697989|1.679298|0.050926|2.818052|1.546729|1.819694|2.274259|1.707606|1.893603|2.711618|2.272171|2.698998|0.074125|2.663446|3.194816|31.164029|5.353202|5.843584|6.294031|8.639332|10.712568|13.753809|36.858105| |1.675172|1.521225|0.039622|1.545029|2.243132|1.548690|1.525759|0.045785|2.585157|1.408639|1.675775|2.123910|1.601958|1.757790|2.478560|2.031456|2.390456|0.066725|2.392441|2.711651|25.594795|3.983223|4.501753|4.738257|6.007096|7.035198|7.977987|13.772024|36.858105| |1.602213|1.472031|0.038393|1.513314|2.201517|1.515201|1.474767|0.043904|2.497599|1.361443|1.667565|2.131808|1.627750|1.789632|2.482471|2.015485|2.378596|0.067994|2.357634|2.642569|25.109985|3.683673|4.128704|4.221401|5.178787|6.200573|6.910297|7.933203|13.736866|36.858105| |1.656106|1.532223|0.039731|1.592209|2.345343|1.612866|1.551598|0.046150|2.604579|1.429473|1.797913|2.292556|1.771173|1.975269|2.720541|2.227238|2.663494|0.077708|2.567955|2.981531|29.482863|4.216837|4.568529|4.547877|5.547247|7.017557|7.975386|6.861879|7.934657|13.758456|36.858105| |1.805770|1.663882|0.042741|1.728674|2.584414|1.782680|1.712882|0.051395|2.841176|1.573744|1.977915|2.483447|1.916200|2.173232|3.036489|2.555475|3.109525|0.090106|2.908005|3.661929|39.062924|5.964892|5.994060|5.872487|7.427029|10.663289|13.767825|7.899884|6.863146|7.933883|13.748983|36.858105| |2.519941|2.627868|0.065720|3.207046|5.306682|3.453131|2.759723|0.076378|4.439137|2.420727|5.310115|7.226170|7.812159|13.315224|10.022629|5.895033|5.363995|0.183076|4.390957|3.995799|23.887849|2.689370|3.485749|2.973839|2.837327|3.155878|2.184461|1.928542|1.801409|1.863459|2.091146|2.297421|36.858105| |2.367601|2.415957|0.060337|2.843452|4.706411|3.163882|2.604360|0.073471|4.138133|2.319611|4.383310|5.629292|5.331290|8.028135|8.294372|5.889517|5.687473|0.208034|4.287617|4.474070|26.967829|3.015074|3.880886|3.279719|3.127359|3.505091|2.408376|2.084472|1.933569|2.012137|2.298485|2.565577|15.860860|73.516695| |2.246642|2.367340|0.060580|2.875855|4.495694|2.954038|2.411743|0.065807|3.984933|2.150644|4.338866|6.528789|7.230558|8.233441|7.037902|4.180285|3.949783|0.129173|3.528427|3.127335|19.803555|2.288662|2.960416|2.586390|2.498518|2.759538|1.948007|1.744388|1.655652|1.725857|1.922056|2.064615|13.705616|14.987315|53.358707| |2.024605|2.111886|0.054421|2.503041|3.859101|2.589086|2.163816|0.059385|3.582069|1.959157|3.559226|5.217914|5.245091|5.905098|5.697481|3.621889|3.528284|0.116381|3.139019|2.910921|19.032301|2.223467|2.862371|2.523540|2.455985|2.712356|1.931567|1.725504|1.648192|1.734232|1.943357|2.073741|9.357453|13.801128|25.979357|0.500000| |2.241272|2.409893|0.062637|2.975024|4.465071|2.906677|2.374717|0.063685|4.017000|2.116661|4.292523|7.142194|8.056659|6.841403|6.267621|3.594839|3.358265|0.104131|3.188891|2.694468|17.175296|2.020389|2.631005|2.324841|2.249271|2.462636|1.747814|1.590555|1.519464|1.575591|1.727877|1.834075|7.586960|9.480455|18.758096|0.263428|36.858105| |1.988756|2.130167|0.056209|2.565856|3.742333|2.485647|2.084857|0.055898|3.568077|1.888808|3.415187|5.559580|5.473555|4.786516|4.862081|2.937293|2.801893|0.086168|2.697442|2.328656|15.242526|1.822654|2.372101|2.123271|2.068448|2.254190|1.615691|1.480579|1.427375|1.487135|1.623983|1.703227|5.341682|7.523632|11.550923|0.219864|15.918232|73.516695| |2.580343|2.850399|0.073908|3.689735|5.479444|3.438979|2.732263|0.072076|4.674236|2.383037|5.549828|10.768542|13.897434|7.929904|7.385617|3.910679|3.519850|0.104456|3.458417|2.765983|17.162403|2.022069|2.656102|2.337540|2.245024|2.447713|1.723263|1.578863|1.499884|1.537407|1.669830|1.780106|6.636029|8.324761|11.120503|0.164864|13.866614|14.939008|53.358707| |2.479932|2.794557|0.074716|3.587433|4.938152|3.148614|2.573867|0.066881|4.555235|2.269830|4.583210|8.991101|7.758414|5.114305|5.620011|3.151327|2.873657|0.082914|2.925129|2.342900|14.790450|1.780043|2.350946|2.096613|2.019445|2.182370|1.545034|1.434472|1.371307|1.400250|1.502608|1.586063|4.401645|6.129042|7.027512|0.118634|7.744830|12.139789|17.785542|36.858105| |17.547042|8.842972|0.218414|6.689697|7.205661|4.250436|4.689166|0.138907|10.088900|3.507453|4.160551|4.983697|3.038468|2.969829|4.823174|3.465086|3.375809|0.081305|4.171380|3.026102|18.453766|2.319360|3.161487|2.798394|2.630802|2.794923|1.910914|1.843905|1.699717|1.628670|1.675159|1.810428|2.473211|4.108823|3.039637|0.055978|2.246787|3.562372|3.521768|2.511354|0.500000| |17.570698|8.861838|0.212839|5.472696|6.463493|4.398526|5.691848|0.177069|12.873396|4.312106|3.608364|4.248280|2.632894|2.624262|4.297210|3.211647|3.022806|0.072561|3.447508|2.860961|17.199985|2.259705|3.180715|2.847881|2.632189|2.729614|1.836355|1.776315|1.622759|1.540805|1.580437|1.719403|2.226859|3.768729|2.725333|0.050694|1.993343|3.182390|3.074141|2.187159|0.301006|0.500000| |17.593283|8.730076|0.173544|6.795575|9.219913|5.567150|6.515271|0.226255|11.996269|4.424444|4.861864|5.277943|3.241212|3.336491|5.820392|4.493184|4.193101|0.095587|4.974231|3.830296|21.680061|2.741765|3.833515|3.306367|3.028892|3.204386|2.126326|2.016060|1.820000|1.735181|1.805078|1.993575|2.747906|4.643412|3.255385|0.059772|2.337257|3.650199|3.628132|2.491043|0.302011|0.300758|0.500000| |5.489410|8.866138|0.224312|17.532174|12.305438|7.113226|5.860540|0.134426|12.484011|4.366338|6.944810|9.481842|4.671073|4.001020|6.368016|3.807677|3.215056|0.081431|3.481103|2.705758|15.910556|1.980452|2.719803|2.404869|2.249682|2.380520|1.629510|1.533882|1.428830|1.406701|1.479933|1.596410|3.080761|4.801381|3.869989|0.068752|3.025035|4.682616|5.205591|3.897236|0.141388|0.123698|0.137913|0.500000| |7.004273|8.838148|0.208717|17.615703|12.447929|5.699877|4.994235|0.130572|10.147556|3.638651|7.373376|9.356641|4.825856|4.279900|6.970303|4.242998|3.820134|0.094764|4.568841|3.103214|18.350925|2.218074|2.989763|2.613745|2.462645|2.647964|1.820985|1.716854|1.597107|1.568736|1.647613|1.778263|3.263791|5.100403|4.030464|0.071419|3.093890|4.745252|5.258492|3.780917|0.204328|0.141378|0.177971|0.301948|0.500000| |4.329793|5.869876|0.135282|7.129452|12.290702|17.480624|8.856776|0.174425|12.522147|7.009145|6.939872|7.882927|4.430276|4.227315|7.172792|4.489963|3.394483|0.085155|3.292645|2.953795|16.547218|2.110963|2.986459|2.622923|2.400778|2.504058|1.677013|1.555677|1.431487|1.407948|1.496641|1.639580|3.303814|5.297247|3.975721|0.071129|2.951229|4.524444|4.818662|3.339471|0.103087|0.105541|0.122393|0.213313|0.144729|0.500000| |4.293536|4.986629|0.110872|5.691564|12.362003|17.605202|8.869760|0.217978|10.171972|6.780400|7.333847|7.097787|4.397156|4.774428|9.163435|6.564634|4.386446|0.105446|3.942380|3.860053|20.111944|2.563828|3.694991|3.159000|2.833653|2.959191|1.937390|1.769051|1.603097|1.571338|1.686589|1.882464|3.751887|6.258961|4.232773|0.076010|2.961691|4.474831|4.631161|3.013066|0.101036|0.104810|0.134307|0.144371|0.127179|0.301124|0.500000| |3.737510|4.214961|0.100314|3.915768|6.235459|6.830077|8.822830|0.213268|10.244159|17.548374|3.737454|4.276847|2.761676|2.874931|4.760698|3.642298|2.920894|0.072094|2.743093|2.856899|16.021011|2.188976|3.259596|2.913609|2.588897|2.605119|1.701603|1.585451|1.436888|1.389871|1.466963|1.625627|2.488225|4.305353|2.977182|0.055635|2.119074|3.356997|3.197265|2.200805|0.086111|0.102263|0.110044|0.104301|0.090175|0.173054|0.200439|0.500000| |4.273782|4.833753|0.118541|3.972191|5.666726|5.509068|8.889006|0.214265|13.092058|17.587334|3.285957|3.868323|2.457552|2.489881|4.048284|3.046397|2.583676|0.063783|2.552646|2.528320|14.672959|2.012408|2.967354|2.693754|2.420655|2.430435|1.603930|1.519348|1.383630|1.329087|1.385402|1.520972|2.157103|3.704642|2.632102|0.049352|1.905319|3.053010|2.891972|2.041707|0.095802|0.125374|0.118382|0.105401|0.091503|0.142418|0.139765|0.300701|0.500000| |3.849380|4.832828|0.120125|4.401805|6.340843|6.858921|8.850103|0.173857|12.942684|17.568127|3.731525|4.485815|2.795357|2.763424|4.443480|3.161349|2.590981|0.065079|2.527975|2.444920|14.149611|1.898222|2.755022|2.486559|2.256480|2.291517|1.526449|1.435721|1.318034|1.281104|1.345000|1.470182|2.357090|3.969340|2.899255|0.053877|2.128070|3.395785|3.282142|2.337125|0.089288|0.105124|0.105411|0.125591|0.097892|0.209600|0.166026|0.299907|0.301391|0.500000| |4.416587|4.316614|0.096659|4.905692|10.233383|6.763762|5.427310|0.172966|7.534255|4.168367|7.283679|6.654518|4.525350|5.649072|12.634975|17.655609|8.830918|0.174809|6.798293|7.085563|30.409373|3.607134|5.106433|4.075930|3.623112|3.920639|2.506477|2.233066|1.982980|1.937895|2.109676|2.417389|4.486791|7.883707|4.686641|0.084242|3.094929|4.606798|4.666664|2.892848|0.108916|0.104832|0.155042|0.114026|0.126080|0.140525|0.229414|0.121088|0.100237|0.101026|0.500000| |3.162094|3.187629|0.075561|3.672982|6.895724|4.877056|3.881982|0.114626|5.649296|3.331016|5.896135|6.123996|4.745998|6.763935|12.562011|17.622751|8.824625|0.216942|5.482256|7.137333|31.552004|3.682298|5.124306|4.088261|3.665364|4.003347|2.569569|2.229603|1.991204|1.986951|2.217107|2.561352|6.060468|11.801374|5.748081|0.103991|3.515541|5.154966|5.002379|2.955733|0.081355|0.077885|0.102727|0.092083|0.097159|0.115372|0.170652|0.100045|0.080780|0.084644|0.301440|0.500000| |5.133203|4.256341|0.098807|4.651856|7.480426|4.225766|3.931623|0.125376|6.488061|3.056448|5.312792|5.687003|3.883328|4.419182|7.767211|6.802126|8.768696|0.173015|17.540489|6.769799|36.168927|3.887708|5.023605|4.059107|3.788285|4.291311|2.844786|2.596679|2.313287|2.234921|2.388489|2.700355|3.695731|6.393442|4.148648|0.075771|2.827825|4.311786|4.247473|2.726215|0.143420|0.117163|0.186482|0.103638|0.139847|0.097019|0.116790|0.083207|0.079136|0.076244|0.201665|0.139492|0.500000| |3.565623|3.130449|0.076801|3.464325|5.324017|3.179050|2.920370|0.089242|4.898135|2.413986|4.175039|4.909744|3.645927|4.228520|6.484316|5.456348|8.765706|0.210986|17.580225|6.776664|46.773202|4.307811|5.078213|4.122010|4.020073|4.811444|3.330855|2.985739|2.689464|2.654241|2.888582|3.259221|3.856943|6.871890|4.385142|0.081733|2.916608|4.489564|4.185796|2.647470|0.103432|0.085968|0.116380|0.082430|0.106109|0.077119|0.089742|0.066679|0.063006|0.061771|0.139624|0.122852|0.301801|0.500000| |4.107857|3.816791|0.091916|4.654765|7.371850|3.967962|3.417078|0.100944|5.763926|2.723184|6.335716|7.257565|5.266955|6.038107|9.627351|6.789422|8.781357|0.212642|17.576558|5.455758|31.984236|3.305093|4.155614|3.446368|3.297402|3.770020|2.599312|2.357440|2.164440|2.158556|2.340167|2.586398|4.829874|7.831081|5.381243|0.095102|3.667072|5.416378|5.594580|3.435449|0.119184|0.094064|0.132070|0.108145|0.149275|0.095895|0.109075|0.074100|0.069344|0.070547|0.166522|0.139987|0.301231|0.303035|0.500000| |3.543682|3.114875|0.074086|3.223224|5.364809|3.632342|3.481868|0.114531|5.338844|2.951565|3.863044|4.239071|3.066831|3.687956|6.235760|6.786317|8.753918|0.173670|6.931685|17.618996|56.517577|6.724158|9.512744|6.465161|5.542076|6.283946|3.687184|3.165608|2.656131|2.522603|2.765726|3.353047|3.413529|6.527272|3.748897|0.071015|2.444424|3.788748|3.480121|2.215492|0.092483|0.089840|0.123084|0.077184|0.088908|0.084326|0.111129|0.085752|0.077052|0.072127|0.203842|0.167662|0.205306|0.172916|0.140662|0.500000| |2.845636|2.664847|0.064476|2.855236|4.822335|3.380555|3.077031|0.095916|4.669818|2.717728|3.725048|4.184666|3.190016|4.042346|6.480202|7.306482|8.774178|0.209231|5.469027|17.633999|56.855054|6.673693|9.322548|6.364999|5.486288|6.250096|3.676458|3.012232|2.564265|2.519234|2.872117|3.550019|4.024284|8.371587|4.256398|0.081845|2.654930|4.093458|3.654425|2.266874|0.074651|0.072466|0.093730|0.070872|0.078096|0.081049|0.108116|0.081094|0.069674|0.067968|0.183104|0.224559|0.140660|0.138219|0.122671|0.302355|0.500000| |1.880744|1.679485|0.043380|1.677681|2.452608|1.707863|1.710835|0.052208|2.875260|1.579535|1.796611|2.234563|1.659896|1.830957|2.652680|2.228458|2.610685|0.070284|2.601169|3.112004|28.849172|5.150233|5.975746|6.703246|9.122361|9.876431|8.935931|17.745146|8.883115|5.634964|4.948519|5.639374|1.840845|3.509142|2.263137|0.045420|1.526313|2.522772|2.079962|1.395857|0.052406|0.051101|0.057507|0.042688|0.047725|0.043340|0.049284|0.044922|0.043399|0.040548|0.061818|0.060480|0.072004|0.080098|0.063753|0.088406|0.081287|0.500000| |1.607109|1.456804|0.038160|1.469385|2.113031|1.461637|1.450254|0.043434|2.474867|1.343187|1.568299|1.996018|1.496219|1.625361|2.293892|1.862240|2.160583|0.059891|2.192064|2.416530|21.872354|3.371856|3.958439|4.200067|5.160554|5.701039|5.666374|8.942879|17.728030|8.905553|5.643988|4.947725|1.653726|3.124606|2.083475|0.042254|1.417997|2.377743|1.913353|1.295948|0.045444|0.043520|0.048142|0.037830|0.042213|0.037645|0.041780|0.037912|0.036833|0.034971|0.050883|0.050519|0.059539|0.068000|0.055579|0.066660|0.063447|0.214350|0.500000| |1.496998|1.382160|0.036262|1.421655|2.051960|1.412375|1.374567|0.040675|2.342320|1.272508|1.556198|2.007469|1.533870|1.670497|2.299084|1.840223|2.144716|0.061530|2.144691|2.330568|21.334698|3.057770|3.526578|3.597279|4.280501|4.932716|4.971822|5.646143|8.913902|17.723599|8.921484|5.645585|1.741037|3.316001|2.221997|0.045729|1.501437|2.538509|1.989445|1.340041|0.042433|0.040046|0.044668|0.036894|0.041022|0.036669|0.040502|0.035976|0.034545|0.033420|0.049152|0.050351|0.056534|0.066691|0.055342|0.061946|0.061881|0.123938|0.214790|0.500000| |1.577313|1.473909|0.038328|1.543361|2.270917|1.561059|1.490226|0.043990|2.505168|1.375708|1.757827|2.263110|1.765446|1.965071|2.663860|2.151498|2.549978|0.075802|2.445469|2.778909|26.513823|3.630573|4.040690|3.971218|4.661861|5.686177|5.666391|4.947165|5.642614|8.910280|17.729355|8.937122|2.110430|4.134978|2.671079|0.055704|1.759480|2.959669|2.288893|1.511527|0.044370|0.041683|0.047505|0.040084|0.044417|0.040488|0.045342|0.039209|0.036910|0.036153|0.056072|0.059813|0.062557|0.075808|0.062890|0.070763|0.075089|0.107465|0.124060|0.214843|0.500000| |1.827595|1.700624|0.043502|1.784295|2.699855|1.866956|1.772650|0.053029|2.915150|1.629486|2.090999|2.620278|2.045213|2.354395|3.264260|2.769911|3.381322|0.100415|3.038921|4.004372|42.767530|6.209717|6.253592|5.875600|6.998882|9.777409|8.920317|5.633499|4.948814|5.640172|8.892395|17.739137|2.536228|5.153180|3.072239|0.063373|1.972816|3.243056|2.581778|1.671366|0.050608|0.048058|0.056234|0.045864|0.050794|0.047711|0.055278|0.047026|0.043435|0.042330|0.071576|0.078430|0.077119|0.093132|0.075119|0.098185|0.110964|0.124247|0.107468|0.124046|0.214846|0.500000| |2.182311|2.417140|0.065186|2.986826|4.108340|2.686235|2.251075|0.058986|3.982035|2.021334|3.681170|6.596770|5.735816|4.268436|4.709613|2.759805|2.572865|0.075208|2.601041|2.139478|13.790852|1.670401|2.198577|1.975701|1.914387|2.067098|1.474709|1.371917|1.320387|1.355894|1.454855|1.523966|3.978913|5.694668|6.707497|0.119019|7.639372|14.571998|12.579625|17.709484|0.061583|0.054201|0.060906|0.089073|0.087209|0.078723|0.072348|0.054792|0.050999|0.057799|0.070349|0.073165|0.067133|0.066751|0.083339|0.056014|0.057843|0.036966|0.034705|0.036223|0.040905|0.044610|0.500000| 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