Version2.4 2021-05-26T18:04:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]([NH2+]C[C@@H](Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)OC)S(=O)(=O)[O-])S(=O)(=O)[O-] C04706547 RHF 6-31G(d) (6D,7F) C[C@H]([NH2+]C[C@@H](Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)OC)S(=O)(=O)[O-])S(=O)(=O)[O-] C01[X(C17H22N3O9S3)] 156 C1 536 COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N[C@@H](S(=O)(=O)[O-])C[NH2+][C@H](S(=O)(=O)[O-])C COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N[C@@H](S(=O)(=O)[O-])C[NH2+][C@H](S(=O)(=O)[O-])C COc1ccc(N[S](=O)(=O)c2ccc(N[C@H](C[NH2+][C@@H](C)[S]([O-])(=O)=O)[S]([O-])(=O)=O)cc2)cc1 InChIKey=JWTKSCHAADZOGC-PXAZEXFGSA-M InChI=1S/C17H23N3O9S3/c1-12(31(23,24)25)18-11-17(32(26,27)28)19-13-5-9-16(10-6-13)30(21,22)20-14-3-7-15(29-2)8-4-14/h3-10,12,17-20H,11H2,1-2H3,(H,23,24,25)(H,26,27,28)/p-1/t12-,17+/m1/s1 InChI=1/C17H23N3O9S3/c1-12(31(23,24)25)18-11-17(32(26,27)28)19-13-5-9-16(10-6-13)30(21,22)20-14-3-7-15(29-2)8-4-14/h3-10,12,17-20H,11H2,1-2H3,(H,23,24,25)(H,26,27,28)/p-1/t12-,17+/m1/s1/fC17H22N3O9S3/h18H/q-1 C[C@H]([NH2+]C[C@@H](Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)OC)S(=O)(=O)[O-])S(=O)(=O)[O-] C01[X(C17H22N3O9S3)] 156 C01 536 COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N[C@@H](S(=O)(=O)[O-])C[NH2+][C@H](S(=O)(=O)[O-])C CO[C]1[CH][CH][C]([CH][CH]1)NS(=O)(=O)[C]1[CH][CH][C]([CH][CH]1)N[C@@H]([S]([O])([O])[O])C[NH2][C@H]([S]([O])([O])[O])C CO[C]1[CH][CH][C]([CH][CH]1)N[S](=O)(=O)[C]2[CH][CH][C]([CH][CH]2)N[C@H](C[NH2][C@@H](C)[S]([O])([O])[O])[S]([O])([O])[O] InChIKey=MBRAFVGVLKMOMN-PXAZEXFGSA-N InChI=1S/C17H22N3O9S3/c1-12(31(23,24)25)18-11-17(32(26,27)28)19-13-5-9-16(10-6-13)30(21,22)20-14-3-7-15(29-2)8-4-14/h3-10,12,17,19-20H,11,18H2,1-2H3/t12-,17+/m1/s1 InChI=1/C17H22N3O9S3/c1-12(31(23,24)25)18-11-17(32(26,27)28)19-13-5-9-16(10-6-13)30(21,22)20-14-3-7-15(29-2)8-4-14/h3-10,12,17,19-20H,11,18H2,1-2H3/t12-,17+/m1/s1 3984.3142860338 -2686.0758189 1-A 24196.7827 133 403 536 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.13855 -92.08561 -92.07427 -20.54426 -20.48355 -20.48269 -20.42962 -20.42289 -20.42224 -20.41300 -20.41178 -20.41052 -15.59543 -15.53974 -15.51375 -11.25262 -11.23993 -11.23218 -11.21905 -11.21578 -11.21404 -11.21033 -11.19337 -11.19216 -11.19150 -11.18952 -11.18799 -11.18263 -11.17838 -11.16972 -11.16937 -11.15219 -9.11001 -9.05403 -9.04250 -6.79650 -6.79611 -6.79482 -6.74042 -6.74037 -6.73969 -6.72892 -6.72876 -6.72836 -1.40812 -1.37367 -1.37076 -1.35933 -1.28389 -1.24653 -1.21610 -1.21228 -1.20288 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0.8434 0.8571 0.8568 0.8212 0.8541 0.8521 0.8024 0.5028 0.8568 0.4671 0.5399 0.8067 0.8440 0.5569 0.4929 0.8219 0.5715 0.8328 0.3999 0.8493 0.6370 0.3538 0.8569 0.8564 0.5261 0.7626 0.7969 0.3541 0.8471 0.8570 0.8040 0.1771 0.1825 0.3864 0.5822 0.5912 0.7498 0.4993 0.8418 0.5905 0.7186 0.1757 0.6108 0.7577 0.4244 0.2552 0.8530 0.8429 0.8461 0.2892 0.8067 0.6908 0.8279 0.1654 0.1679 0.2622 0.8344 0.1056 0.4923 0.8240 0.1865 0.6534 0.2978 0.3243 0.6757 0.7974 0.3003 0.7641 0.8238 0.2416 0.7315 0.5777 0.7069 0.7228 0.1964 0.6756 0.6625 0.8570 0.6655 0.8203 0.4330 0.6952 0.8045 0.8475 0.2439 0.6273 0.3247 0.7605 0.8498 0.3803 0.7759 0.4674 0.3821 0.8530 0.8444 0.2425 0.8104 0.7305 0.8178 0.3872 0.2980 0.6755 0.8563 0.6842 0.8460 0.8267 0.6801 0.4686 0.5279 0.8534 0.8525 0.8563 0.4737 0.7589 0.8479 0.8518 0.8507 0.8380 0.8020 0.8292 0.3725 0.6118 0.5933 0.8320 0.6647 0.6188 0.6460 0.7410 0.0570 0.0745 0.4548 0.8571 0.7904 0.0842 0.3879 0.6612 0.6086 0.4063 0.8304 0.8332 0.4975 0.8292 0.5035 0.3621 0.2104 0.3685 0.3668 0.3447 0.2704 0.3595 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 1 7 1 1 6 6 1 7 6 6 6 6 6 6 16 8 8 7 6 6 6 6 6 6 8 6 16 8 8 8 16 8 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 31.97207 15.99491 15.99491 15.99491 31.97207 15.99491 15.99491 15.99491 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 9959.2855 36143.2695 43314.8005 0.99999 -0.00458 -0.00175 0.00460 0.99993 0.01112 0.00170 -0.01112 0.99994 1 0.00870 0.00240 0.00200 0.18121 0.04993 0.04167 11.98 13.36 21.76 35.50 44.57 57.43 71.95 80.44 93.35 106.24 108.70 140.82 143.81 175.70 208.95 233.44 260.76 283.13 316.47 331.47 346.09 358.93 377.54 397.99 403.47 426.76 432.51 459.57 476.77 493.03 512.29 544.03 561.98 625.89 652.92 657.81 661.97 679.79 701.05 721.91 737.33 775.94 797.33 813.01 824.11 831.54 848.78 868.02 877.78 894.82 913.21 954.61 967.24 995.89 1006.32 1033.51 1088.17 1116.49 1131.94 1156.80 1177.03 1214.90 1223.42 1304.33 1324.13 1329.56 1340.67 1350.87 1375.91 1394.27 1420.22 1445.02 1468.94 1551.53 1566.31 1571.29 1571.86 1583.44 1592.16 1599.02 1606.63 1611.41 1632.89 1694.94 1708.35 1709.82 1726.15 1729.13 1769.06 1786.45 1809.91 1819.43 1823.35 1853.86 1862.69 1864.75 1889.16 1898.29 1916.96 1929.81 1941.06 1956.98 1993.94 2002.46 2047.46 2053.62 2065.18 2071.15 2087.78 2098.40 2108.14 2144.70 2148.65 2215.73 2222.68 2254.65 2260.01 2267.10 2315.17 2347.34 2352.86 2368.53 2375.62 2379.72 2390.29 2403.33 2412.36 2441.87 2455.46 2564.74 2571.64 2580.75 2622.51 2637.51 4611.88 4628.53 4693.93 4700.24 4726.54 4758.39 4771.80 4781.89 4797.44 4848.61 4848.77 4864.03 4890.19 4890.68 4891.91 4909.70 4916.65 4916.87 4995.34 5249.16 5480.48 5490.99 0.444519 0.473585 0.474529 0.377962 -2685.631299 -2685.602234 -2685.601290 -2685.697857 3.238873D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE C[C@H]([NH2+]C[C@@H](Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)OC)S(=O)(=O)[O-])S(=O)(=O)[O-] C04706547 RHF 6-31G(d) (6D,10F) C1 508.051820 |X|Y|Z| 67.970784 30.826619 136.478253 65.882572 14 6 7 16 12 1 1 |36.858105| |12.525545|36.858105| |8.811453|17.644399|0.500000| |7.756498|12.735300|0.252407|53.358707| |6.838317|9.347480|0.182955|25.588996|0.500000| |7.603119|9.143044|0.206874|25.402074|0.322639|0.500000| |5.004266|7.477375|0.201386|17.378737|0.257369|0.261409|36.858105| |3.918489|4.936685|0.131252|10.459145|0.193054|0.209916|12.450446|36.858105| |3.286882|4.089159|0.113161|7.624675|0.143853|0.149442|8.943887|17.579971|0.500000| |3.691731|4.388748|0.109632|9.029671|0.203187|0.181065|7.679014|13.119527|0.251383|53.358707| |3.055053|3.592621|0.091076|6.582610|0.151520|0.126115|5.629061|7.689182|0.201898|18.729448|36.858105| |2.663298|2.974622|0.075369|5.149388|0.119035|0.102346|4.053897|5.148151|0.136696|10.823128|13.593845|36.858105| |2.289816|2.540920|0.065253|4.180172|0.095078|0.082078|3.299397|3.922572|0.109468|7.080822|7.887912|13.864810|36.858105| |2.193001|2.482440|0.064595|3.997134|0.089583|0.076658|3.256490|3.725334|0.108452|6.212149|6.827331|7.954075|13.686571|36.858105| |2.396161|2.808047|0.073623|4.563165|0.101255|0.085158|3.914779|4.404031|0.132993|7.020712|7.904784|6.890279|7.930108|13.737403|36.858105| |2.837197|3.434456|0.089292|5.929369|0.132024|0.108620|5.412267|6.423195|0.194075|10.617529|13.638551|7.920621|6.862728|7.929922|13.797635|36.858105| |1.841635|2.046545|0.053900|3.167051|0.069780|0.061217|2.532654|2.790596|0.081472|4.373100|4.190756|4.746236|6.960914|10.843453|6.980439|4.741662|388.023441| |1.800729|2.019104|0.053557|3.061660|0.066992|0.058391|2.462679|2.619105|0.076970|3.960767|3.671039|3.830307|4.947414|7.346749|6.461432|4.408549|94.644065|73.516695| |1.756550|1.912961|0.050013|2.937922|0.065215|0.057388|2.280121|2.499546|0.071133|3.971631|3.669954|4.401093|6.423557|7.361921|4.977134|3.834983|94.731637|13.563087|73.516695| |1.679476|1.856797|0.049628|2.866533|0.061778|0.056223|2.322939|2.605342|0.077851|3.947443|3.633777|4.030858|5.373853|6.922124|5.366607|4.020378|81.847524|13.908084|13.677984|53.358707| |1.638552|1.790676|0.047878|2.784141|0.059727|0.055517|2.240635|2.572100|0.076475|3.920262|3.530380|4.075011|5.283901|5.725702|4.457947|3.652447|50.237342|8.943956|11.125608|18.192418|36.858105| |1.692555|1.855007|0.049925|2.917928|0.061839|0.058766|2.385261|2.819023|0.085416|4.234606|3.754059|4.233641|5.041461|5.172206|4.359976|3.799851|37.155527|7.226719|8.087948|10.563558|13.686953|36.858105| |1.611428|1.740636|0.046922|2.728836|0.057487|0.055815|2.198156|2.606966|0.077765|3.889433|3.286750|3.735187|4.174845|3.972379|3.440999|3.178620|27.891374|5.646684|6.580044|6.980163|7.919112|13.829888|36.858105| |1.500582|1.600034|0.042946|2.480158|0.052545|0.050848|1.955250|2.272561|0.066282|3.417982|2.847458|3.302265|3.733923|3.478624|2.957360|2.725928|25.607810|5.189888|6.490432|6.159820|6.841622|7.938567|13.685734|36.858105| |1.463670|1.559257|0.041647|2.398437|0.051278|0.048746|1.874554|2.139202|0.061885|3.250386|2.749787|3.231923|3.837700|3.637127|2.989168|2.672115|28.916608|5.726018|7.786064|6.996836|7.913039|6.883177|7.933820|13.741903|36.858105| |1.522624|1.639069|0.043690|2.522279|0.054252|0.050638|1.986075|2.250924|0.065540|3.440712|3.003583|3.531684|4.466932|4.487546|3.535350|3.010325|39.718641|7.407995|10.704702|10.685352|13.792993|7.969506|6.890394|7.934019|13.720775|36.858105| |1.427339|1.506250|0.040544|2.321867|0.048878|0.048069|1.813954|2.100788|0.060754|3.121021|2.516284|2.870584|3.099798|2.854468|2.503758|2.376416|20.504602|4.306202|5.237023|4.666733|4.611189|5.298581|8.199456|14.116569|7.866889|5.196006|73.516695| |1.331959|1.392311|0.037395|2.124321|0.044844|0.043999|1.636392|1.864186|0.053249|2.771894|2.212782|2.524794|2.725616|2.508350|2.201166|2.089822|18.348553|3.905532|4.838619|4.037346|3.791134|3.991897|5.263898|8.019539|6.732865|4.518242|24.234694|36.858105| |3.749955|4.256683|0.117370|8.032659|0.141948|0.198660|6.913760|10.479276|0.225743|9.695001|4.896059|3.973885|3.143274|2.905493|3.203551|4.101057|16.400935|3.821540|3.780420|3.026991|2.265500|2.521459|2.439837|2.152508|1.988786|2.031212|3.645262|1.827935|388.023441| |3.031140|3.308671|0.089711|5.899929|0.113479|0.138440|4.863892|7.363372|0.185478|8.978484|4.953278|4.333068|3.397078|3.037404|3.218963|3.982004|17.154292|3.897770|3.985266|3.232049|2.491957|2.847467|2.826284|2.467785|2.228593|2.237349|4.214163|2.083309|93.869793|73.516695| |4.746724|5.006513|0.132175|9.537297|0.164521|0.292361|6.393199|7.391126|0.152969|8.423407|4.276622|3.627220|2.884128|2.632767|2.846200|3.555397|15.077852|3.527921|3.549279|2.732788|2.036497|2.211741|2.152399|1.948578|1.827589|1.862053|3.323714|1.698182|92.354523|13.928264|73.516695| |3.451003|3.972306|0.117785|6.748153|0.115610|0.155329|6.160409|7.401632|0.197603|6.787441|3.883275|3.198880|2.672195|2.564722|2.869963|3.558718|14.931168|3.550604|3.413547|2.799784|2.078981|2.316261|2.239573|1.972209|1.820973|1.861223|3.355830|1.685652|93.902284|13.796634|13.886210|73.516695| |6.861265|10.499709|0.221282|9.704785|0.201818|0.148423|5.653261|4.028170|0.098540|5.241912|3.459229|2.902209|2.569808|2.584404|2.957114|3.502568|15.335487|3.873449|3.574503|2.600916|1.803337|1.829558|1.691545|1.563506|1.547894|1.650847|2.590877|1.353380|23.237213|4.838835|6.326255|5.460933|388.023441| |4.856669|7.379743|0.195013|8.443286|0.167608|0.130177|6.183970|4.257473|0.109334|5.306994|3.628501|2.953952|2.656637|2.766245|3.298840|3.932044|16.383928|4.221010|3.725724|2.786279|1.904550|1.936023|1.766294|1.614736|1.596993|1.718939|2.655727|1.377199|23.326692|4.861427|5.952897|5.659138|93.504592|73.516695| |6.380570|7.386244|0.180833|6.755779|0.136343|0.115477|4.099650|3.143108|0.078829|4.094434|2.745827|2.393265|2.164871|2.176364|2.433196|2.774196|13.327961|3.385430|3.144423|2.285213|1.590566|1.607701|1.499813|1.399302|1.388629|1.472355|2.336480|1.230376|19.390334|4.117718|5.325797|4.671218|94.001587|13.867761|73.516695| |6.064688|7.517490|0.153639|9.273125|0.239194|0.146571|5.186259|4.052225|0.097303|5.790576|3.893030|3.329670|2.921737|2.881082|3.229489|3.811466|16.824094|4.192911|3.976550|2.786057|1.931061|1.938423|1.787973|1.663329|1.659803|1.776801|2.743316|1.437140|22.990271|4.943743|6.326733|5.150671|93.114738|13.912257|13.807970|73.516695| |17.578646|8.840178|0.173107|9.567012|0.199967|0.192366|4.551284|3.758010|0.087196|5.126852|3.148649|2.801852|2.400796|2.268567|2.441839|2.869744|13.513919|3.281446|3.257998|2.333875|1.674656|1.717414|1.635941|1.533479|1.504072|1.565296|2.590003|1.365118|25.165958|5.269579|7.969811|5.585478|45.812571|7.956587|10.455207|12.071842|0.500000| |17.633927|8.924235|0.212433|7.643621|0.142057|0.149567|4.114433|3.275946|0.079075|4.198527|2.645685|2.339050|2.055628|1.991892|2.170993|2.515292|12.114714|2.990141|2.895034|2.120916|1.514893|1.557042|1.483386|1.387636|1.358455|1.413500|2.351364|1.240004|22.389394|4.636627|6.762416|5.335743|45.686011|8.152865|12.856016|9.497607|0.301903|0.500000| |17.545357|8.831146|0.211489|9.594659|0.164709|0.226010|4.810337|3.957579|0.091760|4.967329|2.958415|2.597710|2.218435|2.104724|2.281838|2.703277|12.589644|3.052779|3.006752|2.225994|1.612384|1.681188|1.615888|1.503416|1.454783|1.500839|2.560293|1.342539|29.220471|5.810417|9.872131|6.738633|36.223350|7.165370|8.448078|8.282726|0.299267|0.299740|0.500000| |4.822937|7.042202|0.225719|12.399449|0.181094|0.218699|17.649382|8.868103|0.212673|7.638231|4.401139|3.366318|2.831705|2.823627|3.347951|4.359572|16.155674|3.964813|3.644196|2.895657|2.061039|2.207263|2.053733|1.828346|1.743701|1.834601|3.042057|1.546181|47.804887|8.147167|10.824982|12.765193|36.140037|10.091867|7.011991|7.732238|0.115798|0.113867|0.133565|0.500000| |4.483858|6.742977|0.179895|12.449236|0.227896|0.182896|17.701037|8.714217|0.214132|9.144930|5.724012|4.066856|3.420927|3.513342|4.420378|6.189114|19.346534|4.805583|4.286181|3.334997|2.309858|2.421867|2.191026|1.949030|1.890331|2.032442|3.181086|1.616189|36.349182|7.124181|8.419397|8.442741|44.871343|14.265770|7.756644|10.151976|0.116037|0.106798|0.114242|0.301612|0.500000| |3.523393|3.944037|0.098868|7.748851|0.171315|0.170648|5.951250|9.339831|0.194072|25.957599|9.602477|7.723494|4.973673|4.126750|4.345033|5.842659|21.370344|4.754448|4.989578|3.760551|2.824581|3.082424|2.918536|2.589174|2.434503|2.523997|4.261968|2.131694|53.315394|14.141400|12.076580|8.703150|24.084410|5.910344|4.871789|6.671417|0.101212|0.081796|0.099562|0.131900|0.141695|0.500000| |2.679066|2.899877|0.073055|5.012398|0.115678|0.103348|3.767179|4.783048|0.122093|9.952081|8.888109|17.718123|8.970103|5.654210|4.961029|5.637794|27.875707|5.715681|6.847486|4.712616|3.638613|3.820717|3.576014|3.254713|3.147597|3.302117|5.174513|2.589356|28.691980|8.128114|6.772739|5.624943|19.596839|4.843822|4.099925|5.643229|0.079221|0.065009|0.073612|0.088197|0.101165|0.234366|0.500000| |2.095877|2.274828|0.058541|3.664559|0.082811|0.072974|2.822141|3.293228|0.091154|5.736448|5.624932|8.962250|17.754760|8.903178|5.645406|4.949650|47.129782|8.110133|13.025541|7.219012|5.571751|5.038850|4.344910|4.113381|4.402175|5.106070|6.006543|3.016776|19.806467|5.425198|4.627404|4.246648|16.331276|4.159837|3.508827|4.637740|0.061379|0.052664|0.056686|0.068593|0.080279|0.117197|0.216352|0.500000| |2.247653|2.642758|0.070333|4.150622|0.090414|0.076943|3.573968|3.823153|0.117235|5.680283|5.635836|4.963496|5.644063|8.922887|17.744822|8.954860|47.309365|13.230862|8.180270|7.183439|4.144937|3.975938|3.139711|2.720381|2.773079|3.303171|4.116868|2.050938|20.331692|5.027023|4.540061|4.711537|20.237997|5.798290|4.221561|5.389246|0.063040|0.057379|0.059209|0.087402|0.114527|0.099177|0.107704|0.124167|0.500000| |3.016356|3.805960|0.101021|6.519046|0.139333|0.115232|6.531137|7.017538|0.223885|9.582141|8.852771|5.626476|4.951622|5.661956|8.995781|17.771266|27.951925|6.900735|5.742549|4.704788|3.136470|3.284925|2.804300|2.418649|2.358825|2.624658|3.810857|1.897411|30.182595|6.904908|6.477873|6.833352|27.796653|8.298670|5.397298|7.196152|0.082793|0.074518|0.079262|0.145400|0.230043|0.144794|0.123702|0.107555|0.217816|0.500000| |1.674395|1.867116|0.050333|2.871566|0.061274|0.056073|2.364861|2.637343|0.080318|3.891344|3.544271|3.730228|4.679957|6.182261|5.450188|4.079541|61.183449|13.564397|10.181787|25.942529|9.211835|7.106196|4.741973|4.026465|4.313297|5.898398|5.601601|2.712408|15.914878|4.207915|3.554630|3.736782|13.675109|3.715061|3.003292|3.611206|0.047103|0.043261|0.045291|0.060656|0.069773|0.074718|0.088657|0.122341|0.159053|0.100102|0.500000| |1.785577|1.983372|0.053705|3.142690|0.066075|0.062971|2.633114|3.152455|0.098519|4.638517|4.150414|4.420294|5.045431|5.447621|4.955275|4.352316|36.151666|7.382540|7.375456|9.670192|8.897867|17.711231|8.964379|5.649464|4.957012|5.659347|7.614940|3.335601|19.658101|5.519066|4.213250|4.554253|13.860073|3.716205|3.021498|3.635993|0.049947|0.045516|0.049262|0.067779|0.074553|0.091930|0.107548|0.129985|0.126035|0.105071|0.206237|0.500000| |1.624579|1.752771|0.047535|2.755207|0.057419|0.056858|2.232332|2.679133|0.080485|3.915497|3.209711|3.538760|3.735298|3.529039|3.196079|3.067586|23.783636|4.989051|5.563281|5.648316|5.628703|8.905039|17.742716|8.949215|5.658163|4.963144|13.474791|4.873535|18.317782|5.416524|3.982848|4.232749|11.941505|3.115706|2.650094|3.127758|0.045548|0.041483|0.045605|0.058478|0.061047|0.082440|0.095649|0.104963|0.081192|0.076464|0.111338|0.214927|0.500000| |1.382279|1.460164|0.038961|2.226852|0.047642|0.045351|1.720399|1.940011|0.055572|2.939115|2.446250|2.859105|3.333454|3.141441|2.618774|2.367003|25.056094|5.111172|7.005024|5.697538|5.655605|4.961136|5.631591|8.867952|17.762942|8.963426|12.475105|7.454266|12.954150|3.605102|3.015200|2.972213|10.328408|2.646175|2.333880|2.772424|0.039567|0.035774|0.038169|0.044595|0.048121|0.061409|0.078663|0.107015|0.068025|0.058634|0.099517|0.107658|0.124104|0.500000| |1.473712|1.581698|0.042060|2.410516|0.052080|0.048153|1.880694|2.094044|0.060473|3.199901|2.782381|3.248515|4.131375|4.242220|3.343413|2.817841|40.718821|7.748226|12.197425|9.873578|8.980716|5.669063|4.964282|5.645606|8.906806|17.758620|7.440762|3.907612|13.379866|3.628948|3.104985|3.073828|11.463677|2.977748|2.569088|3.097385|0.042227|0.038173|0.040144|0.048245|0.053829|0.064826|0.084414|0.132403|0.088291|0.068743|0.151014|0.124528|0.107751|0.216386|0.500000| 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