Version2.4 2021-05-29T04:48:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 13-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](C)NC(=O)CCCCSc1nc2c(c3ccccc3n2Cc4ccc(cc4)Br)nn1 C33943336 RHF 6-31G(d) (6D,7F) CC[C@@H](C)NC(=O)CCCCSc1nc2c(c3ccccc3n2Cc4ccc(cc4)Br)nn1 C01[X(C25H28Br1N5O1S1)] 177 C1 570 CC[C@H](NC(=O)CCCCSc1nnc2c(n1)n(Cc1ccc(cc1)Br)c1c2cccc1)C CC[C@H](NC(=O)CCCCSc1nnc2c(n1)n(Cc1ccc(cc1)Br)c1c2cccc1)C CC[C@@H](C)NC(=O)CCCCSc1nnc2c3ccccc3n(Cc4ccc(Br)cc4)c2n1 InChIKey=GBFUURYINNLIFR-QGZVFWFLSA-N InChI=1S/C25H28BrN5OS/c1-3-17(2)27-22(32)10-6-7-15-33-25-28-24-23(29-30-25)20-8-4-5-9-21(20)31(24)16-18-11-13-19(26)14-12-18/h4-5,8-9,11-14,17H,3,6-7,10,15-16H2,1-2H3,(H,27,32)/t17-/m1/s1 InChI=1/C25H28BrN5OS/c1-3-17(2)27-22(32)10-6-7-15-33-25-28-24-23(29-30-25)20-8-4-5-9-21(20)31(24)16-18-11-13-19(26)14-12-18/h4-5,8-9,11-14,17H,3,6-7,10,15-16H2,1-2H3,(H,27,32)/t17-/m1/s1/f/h27H CC[C@@H](C)NC(=O)CCCCSc1nc2c(c3ccccc3n2Cc4ccc(cc4)Br)nn1 C01[X(C25H28Br1N5O1S1)] 177 C01 570 CC[C@H](NC(=O)CCCCSc1nnc2c(n1)n(Cc1ccc(cc1)Br)c1c2cccc1)C CC[C@H](NC(=O)CCCCS[C]1[N][N][C]2[C]([N]1)N(C[C]1[CH][CH][C]([CH][CH]1)Br)[C]1[C]2[CH][CH][CH][CH]1)C CC[C@@H](C)NC(=O)CCCCS[C]1[N][N][C]2[C]3[CH][CH][CH][CH][C]3N(C[C]4[CH][CH][C](Br)[CH][CH]4)[C]2[N]1 InChIKey=GBFUURYINNLIFR-QGZVFWFLSA-N InChI=1S/C25H28BrN5OS/c1-3-17(2)27-22(32)10-6-7-15-33-25-28-24-23(29-30-25)20-8-4-5-9-21(20)31(24)16-18-11-13-19(26)14-12-18/h4-5,8-9,11-14,17H,3,6-7,10,15-16H2,1-2H3,(H,27,32)/t17-/m1/s1 InChI=1/C25H28BrN5OS/c1-3-17(2)27-22(32)10-6-7-15-33-25-28-24-23(29-30-25)20-8-4-5-9-21(20)31(24)16-18-11-13-19(26)14-12-18/h4-5,8-9,11-14,17H,3,6-7,10,15-16H2,1-2H3,(H,27,32)/t17-/m1/s1/f/h27H 3554.5132159721 -4277.540435 1-A 44601.8895 136 434 570 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0.8570 0.6741 0.4459 0.5927 0.7737 0.7803 0.4186 0.8425 0.6572 0.5547 0.6648 0.4854 0.3610 0.3132 0.0837 0.0697 0.7611 0.3120 0.5554 0.7371 0.1252 0.8150 0.7509 0.1073 0.8551 0.4188 0.8489 0.1287 0.6281 0.8571 0.5420 0.8410 0.6226 0.7101 0.4354 0.2070 0.5354 0.2822 0.3074 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 61 6 6 6 1 6 7 6 8 6 6 6 6 16 6 7 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 35 7 7 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 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 14.00307 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 1.00783 1.00783 1.00783 1.00783 10900.1320 74379.1953 82222.1279 0.99975 0.02216 -0.00253 -0.02213 0.99968 0.01220 0.00280 -0.01214 0.99992 1 0.00795 0.00116 0.00105 0.16557 0.02426 0.02195 7.53 9.96 18.04 28.81 35.24 41.62 48.18 58.33 93.10 99.60 109.47 130.41 134.16 168.03 177.63 203.16 208.34 214.22 224.68 237.45 273.92 305.24 327.97 335.69 357.29 366.08 394.65 427.87 450.04 491.99 497.89 534.63 565.72 578.94 583.11 594.47 644.84 661.25 675.14 698.45 713.10 731.43 743.08 778.31 782.58 823.49 858.16 902.99 947.07 956.09 983.88 1002.31 1028.61 1082.52 1109.22 1125.27 1135.65 1146.56 1170.76 1203.61 1208.03 1218.43 1224.24 1239.25 1252.24 1295.52 1301.30 1302.66 1352.75 1370.34 1406.34 1421.82 1441.80 1478.62 1497.79 1538.80 1551.25 1553.30 1574.56 1574.95 1589.23 1590.51 1600.28 1606.40 1607.89 1621.40 1622.67 1642.31 1678.98 1690.64 1698.18 1699.67 1714.35 1720.87 1766.87 1767.14 1798.40 1804.85 1850.48 1852.41 1864.97 1883.26 1894.91 1897.69 1911.00 1963.57 1975.77 1988.59 1991.97 2005.32 2034.40 2075.19 2078.89 2090.99 2095.79 2101.83 2108.18 2128.57 2167.32 2171.35 2213.40 2215.40 2218.55 2249.08 2257.09 2261.30 2266.19 2297.67 2326.50 2341.03 2347.68 2350.52 2353.82 2356.80 2362.61 2363.08 2367.28 2377.12 2377.97 2404.62 2409.11 2454.79 2547.41 2565.36 2568.05 2591.49 2597.37 2643.77 2803.54 4570.92 4593.01 4601.86 4602.49 4613.93 4629.46 4644.92 4645.73 4652.43 4665.31 4683.04 4697.62 4708.37 4716.70 4724.39 4727.22 4740.58 4754.23 4789.35 4832.77 4845.16 4862.86 4867.26 4887.81 4896.94 4897.79 4901.53 5559.52 0.532336 0.562702 0.563647 0.461085 -4277.008099 -4276.977733 -4276.976788 -4277.079350 3.439946D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE CC[C@@H](C)NC(=O)CCCCSc1nc2c(c3ccccc3n2Cc4ccc(cc4)Br)nn1 C33943336 RHF 6-31G(d) (6D,10F) C1 525.119794 |X|Y|Z| 70.125666 196.632988 31.950947 76.092006 20 6 7 16 4 |36.858105| |12.466778|36.858105| |7.417942|12.440154|36.858105| |6.937201|8.889555|17.623076|0.500000| |4.866962|7.510289|12.456090|0.247748|36.858105| |6.298149|7.785911|13.075019|0.259484|7.730357|53.358707| |4.721693|5.174689|7.706463|0.206295|5.833329|19.152011|36.858105| |4.231188|4.568032|6.775591|0.215471|5.493891|11.548305|15.851427|73.516695| |3.785512|3.950298|4.997594|0.130514|4.226463|10.685907|12.523483|14.179523|36.858105| |3.163890|3.156420|3.819632|0.106672|3.314734|6.972034|7.504154|11.969980|12.472825|36.858105| |2.638021|2.622650|3.020601|0.082644|2.722736|5.253393|4.887601|7.836220|7.512793|12.448813|36.858105| |2.287838|2.241748|2.536121|0.071066|2.310313|4.171176|3.760080|6.481425|4.894475|7.535033|12.462195|36.858105| |1.947129|1.914679|2.108809|0.058242|1.962122|3.385045|2.880147|4.898139|3.619123|4.608811|6.972872|10.465294|388.023441| |1.733318|1.692133|1.848353|0.051807|1.727349|2.879995|2.422541|4.252419|2.861272|3.577062|4.575808|6.809138|76.870658|36.858105| |1.564014|1.530298|1.652716|0.046081|1.558476|2.545011|2.096339|3.663321|2.438442|2.905922|3.607351|4.714968|51.905921|14.203405|53.358707| |1.453872|1.418837|1.525805|0.042813|1.442324|2.316885|1.896596|3.354589|2.152293|2.537311|2.999952|3.822444|35.719668|8.685971|20.035016|36.858105| |1.468310|1.427094|1.539569|0.043638|1.450391|2.321792|1.912319|3.435180|2.134792|2.548632|2.910845|3.771474|31.248945|7.404291|10.885568|13.383093|36.858105| |1.329681|1.292559|1.384036|0.039261|1.311001|2.060748|1.675915|3.019277|1.838588|2.140641|2.382266|2.931376|23.552633|4.769476|7.309628|8.261952|13.108977|36.858105| |1.270526|1.233052|1.317052|0.037561|1.249115|1.940924|1.571805|2.855707|1.695995|1.957667|2.121472|2.555343|19.542676|3.682610|5.305324|5.179761|7.295708|13.755879|36.858105| |1.165156|1.132531|1.202423|0.034205|1.145765|1.760471|1.411855|2.557885|1.514031|1.717993|1.851202|2.171407|16.671207|2.992802|4.404865|4.134764|5.013998|8.008091|13.775639|36.858105| |1.118933|1.090260|1.153731|0.032632|1.102739|1.691753|1.349606|2.426485|1.455007|1.636422|1.781561|2.067370|16.306538|2.889361|4.435464|4.177135|4.568974|6.930271|7.908788|13.675185|36.858105| |1.157262|1.129392|1.196415|0.033683|1.143248|1.766852|1.411570|2.520357|1.539428|1.735287|1.923423|2.245407|18.366715|3.316804|5.389065|5.314957|5.292011|7.853694|6.749572|7.847682|13.752204|36.858105| |1.260989|1.229597|1.309871|0.036895|1.246432|1.950638|1.572535|2.805945|1.733271|1.985472|2.234870|2.683169|22.493277|4.362722|7.411416|8.527811|8.387044|13.617367|7.878142|6.909187|8.048814|13.762077|36.858105| |1.322394|1.292419|1.379092|0.038610|1.311555|2.073691|1.675196|2.959936|1.877158|2.156466|2.496997|3.020962|27.150604|5.429975|10.890772|14.061228|8.387591|8.297371|5.287344|4.595901|5.126496|7.583124|13.579394|53.358707| |1.265596|1.240756|1.316292|0.036592|1.257340|1.978108|1.581749|2.768863|1.776743|2.000497|2.326672|2.712731|24.814580|4.418091|8.666346|7.649888|5.185646|5.150744|3.862380|3.630608|4.230000|6.081240|7.476825|17.880882|36.858105| |1.186238|1.172515|1.246045|0.034584|1.202204|1.861546|1.483653|2.604319|1.655126|1.840749|2.117155|2.415688|21.500149|3.626100|6.532620|5.410773|4.134491|4.245717|3.402702|3.322373|3.936024|5.418484|5.815806|10.408019|12.556040|36.858105| |1.204703|1.199362|1.284290|0.035647|1.247015|1.920045|1.538991|2.711550|1.719119|1.916249|2.207366|2.520624|22.361366|3.730892|6.510101|5.172808|4.077221|4.036929|3.277427|3.131476|3.543249|4.546988|5.049286|8.596413|7.525715|13.698199|36.858105| |1.129872|1.131104|1.210046|0.033540|1.184463|1.796642|1.431710|2.526971|1.584795|1.741756|1.975731|2.203520|18.864243|3.002896|4.898768|3.791437|3.219546|3.249960|2.793852|2.742670|3.086952|3.730056|3.868166|5.965624|5.006204|7.899906|13.785360|36.858105| |1.053914|1.053314|1.119110|0.030987|1.096071|1.652632|1.305843|2.300720|1.435437|1.560997|1.752752|1.928218|16.244011|2.544608|4.093949|3.183448|2.759002|2.859732|2.526828|2.559445|2.947190|3.513016|3.433463|5.104791|4.439963|6.867787|7.977092|13.756395|36.858105| |1.040358|1.033972|1.092448|0.030250|1.064348|1.613154|1.270060|2.231555|1.395817|1.517191|1.703882|1.876527|15.870949|2.503956|4.086514|3.224801|2.767678|2.921318|2.575531|2.653242|3.152067|3.855652|3.632202|5.392712|5.009533|7.889089|6.876152|7.922421|13.811587|36.858105| |1.098698|1.086146|1.147097|0.031795|1.109942|1.702187|1.344477|2.358005|1.486533|1.630305|1.848219|2.064081|17.819802|2.887459|4.902746|3.964742|3.265315|3.460915|2.944668|3.004654|3.647565|4.789212|4.567367|7.126337|7.563516|13.745522|7.974884|6.889151|7.987706|13.732560|36.858105| |0.973867|0.978390|1.037850|0.028707|1.024481|1.520850|1.194252|2.108307|1.299729|1.395401|1.543159|1.666492|13.627459|2.074222|3.200661|2.445718|2.205695|2.280438|2.089886|2.134984|2.396993|2.696660|2.608338|3.740450|3.078421|4.077908|4.601786|6.690604|10.038468|6.697866|4.601446|2539.412838| |1.602582|1.553428|1.690669|0.048256|1.581313|2.563411|2.143969|3.888306|2.396864|2.950863|3.342708|4.566974|34.748863|8.373489|9.358525|8.086687|14.782192|7.575155|5.788545|4.110404|3.625980|3.936466|5.372483|7.450732|3.960430|3.318043|3.370048|2.777457|2.394979|2.369671|2.712132|67.283299|53.358707| |1.763292|1.712215|1.879628|0.053413|1.747622|2.903748|2.467555|4.432316|2.842788|3.637103|4.338967|6.642208|50.981557|14.551239|10.924207|7.231296|8.498225|5.201477|4.150870|3.225597|2.974796|3.281268|4.291930|6.532282|3.755725|3.165615|3.261997|2.701927|2.317711|2.276638|2.587581|65.539067|19.546060|53.358707| |17.545209|8.788068|6.742363|0.206145|4.538377|7.595397|4.569540|7.772409|3.593041|3.129072|2.575961|2.278976|13.652016|1.732517|2.119970|1.456994|1.484968|1.347101|1.294283|1.184995|1.132082|1.165422|1.269647|1.801468|1.258867|1.178857|1.197425|1.122266|1.046104|1.032509|1.090958|32.880945|2.217955|2.427664|0.500000| |17.570461|8.755266|6.678019|0.170712|4.434045|9.430587|5.253359|7.937643|4.368784|3.596491|2.982937|2.543257|15.263216|1.885844|2.302939|1.561560|1.571333|1.412923|1.342091|1.225945|1.178264|1.223708|1.339933|1.922898|1.351634|1.259423|1.276225|1.190735|1.108318|1.095997|1.162440|34.656052|2.340883|2.600041|0.302094|0.500000| |17.550067|8.798970|5.439505|0.141352|4.058067|6.475504|3.751535|6.062373|3.180983|2.722827|2.345299|2.062573|12.746271|1.607647|1.993249|1.366682|1.376852|1.254991|1.201800|1.107902|1.066946|1.102355|1.195316|1.703340|1.203168|1.128865|1.142134|1.073542|1.006050|0.995897|1.050635|31.711281|2.030227|2.217441|0.301624|0.301669|0.500000| |8.870796|17.536187|8.927008|0.210879|7.114022|7.697329|4.201786|7.000218|3.293348|2.733489|2.308534|2.014036|12.366704|1.557482|1.928913|1.323047|1.334623|1.217219|1.167367|1.076572|1.036034|1.069199|1.158504|1.649233|1.163940|1.104561|1.130360|1.070605|0.999794|0.980900|1.026976|31.753250|1.970426|2.151991|0.211132|0.172935|0.213866|0.500000| |8.829786|17.478960|8.850770|0.174174|6.796686|9.649735|4.720822|7.132892|3.859389|3.028002|2.586413|2.188415|13.517850|1.665141|2.062512|1.399155|1.395652|1.264602|1.201646|1.106608|1.070666|1.113196|1.210617|1.740012|1.235421|1.169536|1.195621|1.129374|1.053473|1.034523|1.085495|33.339771|2.054257|2.268288|0.172745|0.209512|0.212546|0.304584|0.500000| |4.559656|6.829496|8.786265|0.212922|17.545438|7.614755|4.531469|8.012872|3.443913|2.840823|2.378110|2.068230|12.633438|1.588328|1.962665|1.344944|1.357598|1.236211|1.184894|1.091279|1.049465|1.083390|1.175329|1.673855|1.179169|1.130300|1.170754|1.115854|1.036397|1.007186|1.047820|33.102313|2.008009|2.196797|0.121970|0.110523|0.109507|0.212951|0.166595|0.500000| |4.470744|6.807757|8.775307|0.173672|17.522943|9.404422|5.140976|8.120223|4.065273|3.137353|2.659368|2.236137|13.759048|1.689316|2.089017|1.415056|1.411093|1.276704|1.212008|1.115107|1.078759|1.122332|1.221797|1.757636|1.246466|1.194630|1.238781|1.179282|1.093352|1.061773|1.105435|34.842650|2.079221|2.300448|0.110814|0.116030|0.107711|0.175934|0.201512|0.301021|0.500000| |4.040437|5.481724|8.820599|0.214709|17.578409|9.596163|6.240221|11.163260|4.483437|3.556512|2.885216|2.447742|14.632297|1.810041|2.211920|1.502441|1.514162|1.364353|1.298850|1.187911|1.141187|1.183370|1.293556|1.853046|1.300601|1.247154|1.301552|1.237279|1.139762|1.101759|1.147397|36.256134|2.256005|2.500515|0.108490|0.106395|0.094590|0.143678|0.139817|0.301197|0.300547|0.500000| |5.937753|7.215341|9.021988|0.181426|6.529520|26.049419|9.420287|10.891638|7.567350|4.804714|3.853253|3.005156|17.794597|2.099544|2.544909|1.692050|1.677809|1.489656|1.396366|1.270358|1.227776|1.288000|1.420663|2.067938|1.460729|1.374375|1.414048|1.323419|1.219938|1.192931|1.259087|38.192461|2.500192|2.838087|0.137295|0.190327|0.131345|0.145323|0.213735|0.136052|0.186519|0.161594|0.500000| |3.331286|3.624536|4.574926|0.116364|4.226323|9.093397|9.014753|11.640677|17.497210|8.832781|6.896861|4.552152|25.311746|2.783834|3.272695|2.113326|2.073241|1.791810|1.647903|1.477838|1.428400|1.516611|1.703348|2.523270|1.769188|1.666274|1.746079|1.620551|1.464271|1.414657|1.497427|45.333010|3.131246|3.699440|0.087099|0.103240|0.079543|0.085803|0.101165|0.094967|0.117044|0.128297|0.189163|0.500000| |4.021844|4.061735|4.767288|0.120628|3.928103|10.189371|8.862705|10.566637|17.529138|8.806945|6.844448|4.536483|25.201179|2.777701|3.264618|2.109808|2.071492|1.790763|1.647869|1.477786|1.427795|1.515242|1.701524|2.519019|1.767436|1.636907|1.683582|1.548886|1.411473|1.381872|1.476416|43.411979|3.130009|3.696187|0.102555|0.135152|0.094852|0.092279|0.113743|0.090060|0.108302|0.109956|0.231943|0.303586|0.500000| |3.354061|3.200369|3.774397|0.108468|3.156275|6.693246|6.843977|11.464184|8.875700|17.537543|8.838764|6.923657|30.525422|3.510118|3.872247|2.521250|2.574989|2.167946|1.997526|1.747303|1.652923|1.741968|1.991868|2.915708|1.971852|1.795870|1.848137|1.673384|1.508493|1.477406|1.595372|45.787533|4.103708|5.006072|0.094031|0.107593|0.079852|0.076894|0.083737|0.076449|0.081882|0.091896|0.126028|0.173609|0.211509|0.500000| |2.933953|2.986335|3.698244|0.106057|3.321161|6.391172|6.980645|13.048083|8.902369|17.589607|8.821127|6.893738|30.469750|3.500495|3.865372|2.516169|2.568159|2.162852|1.992390|1.743323|1.649796|1.739120|1.988302|2.911253|1.967035|1.828393|1.924536|1.758779|1.568623|1.513170|1.616897|47.926609|4.089228|4.985916|0.082090|0.089649|0.070312|0.073336|0.078604|0.079748|0.085800|0.102364|0.118077|0.211586|0.173733|0.304655|0.500000| |2.466395|2.517459|2.916533|0.078637|2.720503|5.019951|4.570959|7.317602|6.889845|8.844124|17.521306|8.851160|46.912053|4.290968|4.774022|2.902850|2.766502|2.287277|2.033061|1.788858|1.735700|1.881983|2.175218|3.330229|2.312491|2.143144|2.268563|2.048991|1.807901|1.740039|1.871003|54.440418|4.224289|5.367374|0.066359|0.076241|0.061291|0.062016|0.069836|0.065787|0.074903|0.081081|0.103698|0.207916|0.170151|0.173473|0.211144|0.500000| |2.704809|2.645692|2.957364|0.079682|2.630446|5.171961|4.538227|7.002699|6.894531|8.830802|17.520854|8.853303|46.902920|4.294770|4.775348|2.904514|2.769081|2.289249|2.035266|1.790665|1.737064|1.883009|2.176397|3.331206|2.316997|2.088497|2.143120|1.914879|1.715646|1.684533|1.835836|51.315333|4.229794|5.375589|0.072297|0.086553|0.067407|0.064202|0.073488|0.063956|0.072345|0.075635|0.109225|0.171904|0.206142|0.210920|0.173235|0.303308|0.500000| |2.346375|2.247600|2.509919|0.071189|2.244585|4.085970|3.641533|6.346819|4.530475|6.837243|8.792096|17.631629|56.493499|6.463658|6.140045|3.797695|3.884033|3.017652|2.655662|2.238848|2.108564|2.269774|2.713087|4.084531|2.658370|2.328433|2.382410|2.077720|1.838385|1.809667|2.003294|54.041760|6.598411|9.493037|0.065586|0.072881|0.058841|0.056100|0.060418|0.056243|0.059885|0.065308|0.081173|0.111818|0.120029|0.206034|0.169804|0.173169|0.211063|0.500000| |2.185795|2.167602|2.485235|0.070456|2.300171|4.010411|3.659408|6.581191|4.530152|6.847245|8.793475|17.631696|56.477413|6.449030|6.135454|3.793318|3.876794|3.013065|2.650847|2.235331|2.106044|2.267792|2.710552|4.082060|2.651028|2.404505|2.558139|2.252163|1.953090|1.878783|2.048929|57.725104|6.578326|9.449307|0.061064|0.066403|0.054644|0.054630|0.058343|0.057486|0.061320|0.068734|0.078832|0.120173|0.111516|0.170801|0.205247|0.210950|0.173202|0.303004|0.500000| |1.310939|1.269580|1.359795|0.039008|1.286289|1.998346|1.624968|2.976917|1.739974|2.020877|2.157070|2.607608|19.219801|3.570280|4.877689|4.502325|6.490660|8.910916|17.732151|8.874574|5.619944|4.888770|5.616229|5.848570|3.268126|2.915315|2.869132|2.493125|2.254225|2.270650|2.547876|64.868074|8.134660|5.748662|0.037294|0.038404|0.034363|0.033419|0.034200|0.033940|0.034496|0.037207|0.039705|0.046698|0.046716|0.057718|0.057548|0.056990|0.057063|0.076158|0.075993|0.500000| |1.123909|1.091840|1.156951|0.032997|1.103747|1.683317|1.345567|2.447416|1.429913|1.612863|1.715643|1.989148|14.964809|2.612911|3.758187|3.381232|4.036857|5.673826|8.929294|17.730432|8.906322|5.617143|4.972016|4.968446|3.019224|2.822654|2.695423|2.426710|2.294033|2.365395|2.615236|66.940213|4.796050|3.860833|0.031842|0.032724|0.029737|0.028930|0.029577|0.029312|0.029788|0.031760|0.033665|0.038726|0.038734|0.045702|0.045596|0.046033|0.046082|0.057124|0.057032|0.213629|0.500000| |1.053374|1.027297|1.083238|0.030610|1.038223|1.580936|1.254087|2.253469|1.344942|1.498199|1.620413|1.852524|14.502376|2.492987|3.790123|3.420491|3.634080|4.981887|5.643216|8.919709|17.718958|8.964689|5.698901|5.614718|3.660358|3.541006|3.187529|2.879627|2.839370|3.072474|3.458033|80.506701|4.098480|3.467337|0.029592|0.030722|0.027988|0.027195|0.028054|0.027526|0.028250|0.029792|0.031904|0.036746|0.036731|0.042006|0.041934|0.044003|0.044034|0.052371|0.052317|0.123890|0.215980|0.500000| |1.112662|1.088084|1.148953|0.032222|1.101132|1.695365|1.347041|2.393712|1.470402|1.641045|1.823460|2.096253|17.319650|3.024528|4.974250|4.639945|4.309483|5.592698|4.890356|5.604232|8.890019|17.751383|8.850630|9.155391|6.513244|6.227307|4.827898|4.018566|3.962602|4.612968|5.986400|100.784134|4.550450|3.962872|0.031020|0.032662|0.029521|0.028635|0.029898|0.028999|0.030140|0.031604|0.034467|0.040419|0.040367|0.045557|0.045505|0.049905|0.049912|0.058421|0.058404|0.106478|0.123807|0.215588|0.500000| |1.330948|1.305124|1.384862|0.038328|1.319906|2.097233|1.677927|2.912825|1.908607|2.149467|2.552099|2.967869|28.559955|4.917893|10.180932|7.492182|4.864529|4.431732|3.387552|3.117505|3.472896|4.601404|5.663584|12.721676|17.620335|8.887283|6.566861|4.561634|4.006066|4.374839|6.058949|97.933054|5.325183|5.348656|0.036613|0.039674|0.035109|0.033865|0.036221|0.034235|0.036462|0.037888|0.043240|0.052898|0.053050|0.058541|0.058106|0.070683|0.071368|0.079978|0.078998|0.082398|0.073675|0.084877|0.132593|0.500000| |1.220354|1.191155|1.255160|0.034903|1.196345|1.877816|1.491091|2.607836|1.663055|1.857304|2.133060|2.453185|21.770182|3.760443|6.850660|5.952776|4.504291|4.725191|3.713437|3.625048|4.361676|6.290212|6.840189|12.530909|17.578600|8.885454|5.585144|4.183761|3.994967|4.781247|7.328031|97.699361|4.797077|4.500751|0.033733|0.036173|0.032364|0.031096|0.032956|0.031261|0.032955|0.034222|0.038562|0.045779|0.046236|0.051291|0.050501|0.058434|0.059593|0.067833|0.066126|0.087017|0.084297|0.107103|0.201098|0.303158|0.500000| |1.280953|1.276792|1.376466|0.038261|1.334690|2.069239|1.673898|2.955505|1.883449|2.127708|2.479522|2.889505|26.151422|4.500264|7.969920|6.183052|4.740293|4.409997|3.481300|3.190324|3.465008|4.354167|5.219345|9.243142|6.967167|8.897415|17.723380|8.968662|5.671603|4.954193|5.658351|130.398564|5.347773|5.251044|0.035401|0.037775|0.033577|0.033332|0.035283|0.034683|0.036743|0.038860|0.042220|0.053194|0.050892|0.056684|0.059668|0.071037|0.066040|0.074871|0.082396|0.085654|0.076003|0.084792|0.120660|0.181451|0.140409|0.500000| |1.134076|1.141331|1.226517|0.033997|1.207320|1.818589|1.452309|2.571179|1.604076|1.759199|1.986007|2.201495|18.550651|2.900250|4.569751|3.463914|3.028706|3.008165|2.629918|2.556270|2.795613|3.256728|3.417517|5.161357|4.082123|5.628522|8.915597|17.754058|8.918561|5.645498|4.963259|219.832076|3.654677|3.590543|0.031297|0.033118|0.029875|0.030045|0.031644|0.031594|0.033388|0.035176|0.037141|0.045850|0.043268|0.046632|0.049740|0.057759|0.052975|0.057131|0.063268|0.066388|0.063648|0.072602|0.094427|0.106880|0.096141|0.216007|0.500000| |0.987084|0.980661|1.031946|0.028558|1.006578|1.517557|1.188511|2.087344|1.299231|1.402182|1.562178|1.703966|14.201113|2.209494|3.533622|2.770091|2.431086|2.580450|2.328325|2.432879|2.884834|3.410571|3.141151|4.535575|4.088095|5.625066|4.956444|5.641833|8.930923|17.753332|8.893153|219.795261|2.873668|2.763115|0.027204|0.028826|0.026326|0.025901|0.027281|0.026528|0.027923|0.028872|0.031201|0.036550|0.035823|0.038027|0.038793|0.044235|0.043068|0.045866|0.047276|0.057497|0.061199|0.080116|0.113439|0.101496|0.113715|0.107592|0.124230|0.500000| 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