Version2.4 2021-05-28T11:47:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c([nH]c1C(=O)[C@@H](C)Sc2nnc(n2[C@H](C(C)C)C(=O)[O-])c3cccs3)C)C(=O)OC C13271838 RHF 6-31G(d) (6D,7F) Cc1c(c([nH]c1C(=O)[C@@H](C)Sc2nnc(n2[C@H](C(C)C)C(=O)[O-])c3cccs3)C)C(=O)OC C01[X(C22H25N4O5S2)] 168 C1 553 COC(=O)c1c(C)[nH]c(c1C)C(=O)[C@H](Sc1nnc(n1[C@@H](C(=O)[O-])C(C)C)c1cccs1)C COC(=O)c1c(C)[nH]c(c1C)C(=O)[C@H](Sc1nnc(n1[C@@H](C(=O)[O-])C(C)C)c1cccs1)C COC(=O)c1c(C)[nH]c(c1C)C(=O)[C@@H](C)Sc2nnc(n2[C@H](C(C)C)C([O-])=O)c3sccc3 InChIKey=UPESCUDDORFMSH-CXAGYDPISA-M InChI=1S/C22H26N4O5S2/c1-10(2)17(20(28)29)26-19(14-8-7-9-32-14)24-25-22(26)33-13(5)18(27)16-11(3)15(12(4)23-16)21(30)31-6/h7-10,13,17,23H,1-6H3,(H,28,29)/p-1/t13-,17-/m1/s1 InChI=1/C22H26N4O5S2/c1-10(2)17(20(28)29)26-19(14-8-7-9-32-14)24-25-22(26)33-13(5)18(27)16-11(3)15(12(4)23-16)21(30)31-6/h7-10,13,17,23H,1-6H3,(H,28,29)/p-1/t13-,17-/m1/s1/fC22H25N4O5S2/q-1 Cc1c(c([nH]c1C(=O)[C@@H](C)Sc2nnc(n2[C@H](C(C)C)C(=O)[O-])c3cccs3)C)C(=O)OC C01[X(C22H25N4O5S2)] 168 C01 553 COC(=O)c1c(C)[nH]c(c1C)C(=O)[C@H](Sc1nnc(n1[C@@H](C(=O)[O-])C(C)C)c1cccs1)C COC(=O)[C]1[C]([NH][C]([C]1C)C(=O)[C@H](S[C]1[N][N][C]([N]1[C@@H]([C]([O])=O)C(C)C)C1=[CH][CH]=CS1)C)C COC(=O)[C]1[C](C)N[C]([C]1C)C(=O)[C@@H](C)S[C]2[N][N][C](N2[C@H](C(C)C)C([O])=O)c3sccc3 InChIKey=QGHBNTCBGPWGJS-CXAGYDPISA-N InChI=1S/C22H25N4O5S2/c1-10(2)17(20(28)29)26-19(14-8-7-9-32-14)24-25-22(26)33-13(5)18(27)16-11(3)15(12(4)23-16)21(30)31-6/h7-10,13,17,23H,1-6H3/t13-,17-/m1/s1 InChI=1/C22H25N4O5S2/c1-10(2)17(20(28)29)26-19(14-8-7-9-32-14)24-25-22(26)33-13(5)18(27)16-11(3)15(12(4)23-16)21(30)31-6/h7-10,13,17,23H,1-6H3/t13-,17-/m1/s1 3847.7308595288 -2234.8470613 1-A 20317.4021 129 424 553 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1572.0151 1577.1049 1593.7658 1611.0547 1620.9314 1628.1168 1628.2433 1633.7794 1634.6885 1638.4194 1642.7335 1644.1880 1644.2059 1646.9236 1649.1158 1650.3054 1653.5855 1660.6254 1671.7303 1704.8930 1708.6885 1790.3195 1792.0276 1917.5180 1945.0075 1962.1019 3174.2682 3191.8979 3211.1435 3221.5490 3226.8153 3229.0513 3238.8659 3242.1001 3266.0258 3274.6460 3275.6632 3291.3362 3292.0824 3294.2660 3308.4747 3317.4899 3319.7521 3328.5012 3338.1692 3344.3029 3358.4022 3391.7003 3407.7552 3433.8490 3658.0796 6.1568 5.3682 7.8242 6.9085 5.3560 4.8189 6.5239 4.7614 7.4810 4.1663 3.2708 5.5490 5.8273 7.0469 5.2940 5.5382 1.2583 2.3339 2.5602 1.6658 2.1849 1.3040 4.5884 3.7754 5.5504 1.0929 3.3477 1.8141 2.1158 1.3761 4.6646 2.6644 4.2080 4.9237 4.3944 3.7643 3.9828 4.4432 4.4435 3.3171 4.8043 6.2344 8.3598 3.3749 7.3147 6.8257 6.0315 5.1358 6.9087 4.3729 5.1940 4.4341 3.8664 5.5289 4.7689 8.7866 5.8707 4.8783 4.6417 2.1710 4.6611 2.4794 8.2851 9.0616 4.0570 6.2590 5.6557 4.7526 1.1860 4.2028 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53.6767 66.7196 49.1136 37.6821 23.7778 12.6934 40.7984 16.2817 15.3664 3.4027 38.2860 34.7354 5.5858 2.7235 4.8491 15.9623 7.4438 10.2946 1139.0086 0.5288 0.7029 0.7053 2.1595 1.0893 1.5556 1.0697 0.6029 2.6715 0.1009 0.2383 1.5261 1.0169 1.2152 0.6044 2.5114 0.9019 0.0742 0.7675 0.7657 0.1122 0.2922 1.4156 0.4541 0.7099 0.1891 0.9562 0.6667 1.3104 0.6863 1.3283 0.0940 1.7263 0.8460 1.0169 0.4727 3.7375 0.5491 2.0932 0.6118 0.7364 2.7778 2.4668 1.8900 1.7240 5.4600 2.0430 1.3814 1.8136 3.6859 4.9423 8.9652 2.3670 1.9001 15.6601 9.3390 14.8229 2.6532 5.9490 4.1401 1.9777 4.8205 4.7474 1.3824 11.2579 3.1639 2.9117 8.0458 0.8380 5.5974 4.4175 4.6205 3.1653 0.4187 1.8408 20.5176 8.7348 3.6793 4.5026 26.0896 5.6592 1.7082 3.1337 7.1257 1.4172 5.4658 2.7362 0.2382 1.3296 5.3175 13.2153 4.8251 12.6325 3.2772 29.3783 6.4204 5.9396 9.4794 6.1558 13.9284 28.6938 4.9235 4.5622 16.7294 40.7633 9.2746 3.5511 89.9618 3.0823 10.2335 4.5492 5.5649 0.8826 58.0216 20.3514 22.2581 1.0951 1.4789 8.9107 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6 6 8 8 6 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 14.00307 1.00783 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 15.99491 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 9489.1068 28881.4930 35047.4602 0.99991 0.01219 0.00480 -0.01221 0.99992 0.00395 -0.00475 -0.00401 0.99998 1 0.00913 0.00300 0.00247 0.19019 0.06249 0.05149 13.91 41.33 48.00 55.34 64.15 68.09 75.27 86.46 98.66 113.78 120.78 132.29 141.93 155.18 166.83 178.34 199.49 211.67 229.65 247.65 248.33 269.98 273.99 283.03 321.78 353.84 361.05 390.22 393.37 407.27 431.20 438.59 448.91 462.34 474.21 492.49 530.39 541.15 551.54 564.34 577.72 620.80 631.70 668.23 697.70 728.69 737.30 775.07 821.70 876.41 905.80 928.40 935.73 968.10 997.60 1020.28 1049.28 1058.68 1130.64 1160.04 1162.88 1166.80 1187.69 1220.16 1242.03 1255.53 1266.33 1294.75 1317.74 1319.18 1339.19 1352.73 1428.20 1462.80 1466.58 1483.77 1507.64 1513.84 1560.33 1568.25 1573.18 1592.95 1598.34 1625.77 1671.30 1683.13 1689.52 1694.32 1728.63 1733.57 1744.39 1768.71 1801.14 1813.19 1822.49 1848.73 1867.92 1872.05 1925.84 1933.19 1968.53 1995.94 2003.65 2016.03 2053.98 2054.70 2127.92 2145.13 2146.82 2167.99 2173.29 2181.05 2223.52 2233.63 2238.20 2251.67 2258.80 2261.78 2269.10 2293.07 2317.95 2332.16 2342.50 2342.68 2350.64 2351.95 2357.32 2363.53 2365.62 2365.65 2369.56 2372.71 2374.42 2379.14 2389.27 2405.25 2452.96 2458.42 2575.87 2578.33 2758.88 2798.43 2823.03 4567.06 4592.43 4620.12 4635.09 4642.67 4645.88 4660.01 4664.66 4699.08 4711.49 4712.95 4735.50 4736.57 4739.71 4760.16 4773.13 4776.38 4788.97 4802.88 4811.71 4831.99 4879.90 4903.00 4940.54 5263.16 0.488113 0.520070 0.521014 0.421280 -2234.358949 -2234.326991 -2234.326047 -2234.425781 3.345095D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE Cc1c(c([nH]c1C(=O)[C@@H](C)Sc2nnc(n2[C@H](C(C)C)C(=O)[O-])c3cccs3)C)C(=O)OC C13271838 RHF 6-31G(d) (6D,10F) C1 489.126639 |X|Y|Z| 121.637107 66.296582 33.563571 64.685726 18 6 7 16 12 4 2 |36.858105| |12.680188|36.858105| |7.295060|13.321057|36.858105| |5.107852|8.376606|13.703881|36.858105| |5.158990|8.563752|8.684914|14.359271|53.358707| |4.116046|5.960682|6.037912|9.285400|25.736152|0.500000| |7.383708|13.899859|8.495104|8.526674|18.706815|0.247109|36.858105| |5.894091|7.398334|5.156507|5.244521|10.332813|0.188056|12.926591|36.858105| |6.198518|6.369160|4.397876|4.169868|7.228981|0.132919|8.147977|15.882150|73.516695| |4.033483|4.889334|4.003191|4.440722|8.694233|0.191516|7.355376|12.427515|14.320612|36.858105| |3.794389|4.775947|4.153029|4.871486|9.764212|0.231746|7.081410|8.829356|10.613331|17.656607|0.500000| |3.451233|3.807835|3.162303|3.345698|5.860041|0.124715|4.954244|7.507622|12.161349|12.485425|0.246730|36.858105| |3.303966|3.941718|3.457136|3.942445|7.266006|0.174628|5.404737|6.954020|9.905785|10.279712|0.221863|6.816716|388.023441| |2.828819|3.448384|3.276426|3.990171|7.108755|0.192911|4.528896|4.925086|7.010274|6.863775|0.206536|5.042446|76.797881|36.858105| |2.930399|3.712424|3.720917|4.873197|8.650319|0.265574|4.840334|4.700824|6.551202|5.873509|0.195553|4.251956|50.294460|14.749530|53.358707| |2.468322|3.020384|3.106564|3.951887|6.316673|0.169885|3.688571|3.583485|5.253851|4.356615|0.143605|3.511540|35.285191|8.917164|19.217963|53.358707| |2.235241|2.648844|2.647422|3.204420|5.114895|0.130089|3.205631|3.286283|4.956644|4.133121|0.130534|3.536330|35.172312|8.974112|12.223222|20.078281|36.858105| |2.366534|2.782381|2.682521|3.177312|5.270282|0.133230|3.451902|3.743643|5.651298|4.995327|0.149408|4.267988|48.628292|14.116616|11.938098|11.871475|14.039279|53.358707| |2.127452|2.414735|2.290269|2.606874|4.218940|0.100576|2.917659|3.273364|5.186835|4.290461|0.120399|4.090566|40.672701|7.477127|7.188863|7.178155|7.489753|17.561116|36.858105| |1.922787|2.169059|2.090962|2.376342|3.745438|0.088388|2.564095|2.800393|4.479129|3.527930|0.101295|3.403896|31.068594|5.725313|6.217494|6.783401|7.411531|12.785206|17.631590|0.500000| |2.060158|2.301327|2.169245|2.422950|3.865467|0.089840|2.735482|3.077039|5.029779|3.804697|0.101041|3.631772|38.817761|5.905802|5.928834|5.639747|5.196498|10.255933|12.340820|0.249027|36.858105| |2.027813|2.285387|2.199980|2.481330|3.881856|0.090549|2.681077|2.890387|4.696137|3.392892|0.091386|3.074257|34.929712|5.593985|6.059188|5.831597|5.141301|9.017527|7.418754|0.182156|12.414168|36.858105| |1.787485|1.954474|1.850150|2.029971|3.156192|0.071555|2.260752|2.521088|4.232529|3.012330|0.080507|3.020443|27.525701|4.055946|4.450682|4.406340|3.973503|6.794468|7.590143|0.205519|12.417757|7.615068|36.858105| |2.166604|2.420798|2.248848|2.509517|4.088309|0.094971|2.928404|3.418153|5.496669|4.673870|0.130003|5.012566|38.224590|5.975413|6.084667|5.892053|5.495152|10.457439|12.102221|0.247282|7.175965|4.771250|5.876161|36.858105| |2.234849|2.521816|2.357382|2.654584|4.338492|0.101302|3.064108|3.529132|5.552691|4.926652|0.147668|5.294548|35.438322|5.895441|6.431640|6.392506|5.810178|9.779382|8.094136|0.194216|5.130590|3.910335|4.327099|15.436216|73.516695| |2.064059|2.251999|2.068901|2.256176|3.626263|0.081907|2.675629|3.170642|5.306220|4.148195|0.109783|4.752912|33.515115|4.622610|4.894435|4.663998|4.118325|7.343352|8.000218|0.181475|6.686260|4.366948|6.303213|15.581771|15.182094|73.516695| |1.919067|2.219367|2.235486|2.634568|4.029389|0.097260|2.591926|2.648340|4.120614|3.211131|0.099368|2.917080|25.911606|5.360571|7.322916|10.661107|12.971947|10.325917|6.126457|0.204917|4.449199|4.382354|3.786638|4.791488|9.054537|6.643755|36.858105| |1.787261|2.030641|2.022058|2.329080|3.547185|0.083363|2.348306|2.442658|3.864262|2.971184|0.091190|2.833953|22.986978|4.355583|5.706335|7.318063|7.554170|8.056709|5.698664|0.203304|4.088895|3.757318|3.733847|5.021961|9.851536|7.009979|14.118719|36.858105| |1.587075|1.782109|1.791629|2.038326|3.025117|0.069583|2.015461|2.069454|3.324121|2.431115|0.073541|2.339998|18.592344|3.327943|4.478633|5.578725|5.095771|5.693041|4.144618|0.143186|3.309505|3.160635|3.193354|3.742066|7.090508|5.621529|8.227715|13.282340|36.858105| |1.550267|1.747109|1.780641|2.036644|2.976086|0.068425|1.959253|1.976173|3.171469|2.274657|0.068591|2.143893|17.640402|3.169139|4.400821|5.591488|4.872837|5.269648|3.677651|0.122874|3.087814|3.121089|2.945607|3.189908|5.903118|4.872744|7.710872|8.230065|14.154188|36.858105| |1.728956|1.984684|2.043447|2.393013|3.511104|0.082644|2.250687|2.237473|3.533144|2.577737|0.078307|2.339214|20.656105|3.937352|5.686812|7.842783|6.812410|6.582572|4.171413|0.134499|3.504205|3.749557|3.137623|3.381883|6.187639|5.056174|10.979452|7.441302|7.459605|11.051770|388.023441| |3.680401|5.069172|7.204808|12.699594|10.584862|0.199102|5.216442|3.849683|5.672529|3.582268|0.111327|2.821017|24.158661|3.736613|6.530069|5.735095|3.297687|4.221792|2.516526|0.065187|2.323801|2.431207|1.963311|2.367856|4.465258|3.752738|2.761739|2.400209|2.129465|2.172174|18.481400|36.858105| |6.040044|7.424549|13.067000|7.468511|7.182916|0.116916|5.214634|3.762568|6.098957|3.073753|0.087984|2.569671|19.508905|2.639795|4.024574|3.520926|2.242518|3.054818|1.955978|0.050362|1.870186|1.908526|1.627053|1.920334|3.563780|3.175408|1.948823|1.779496|1.606075|1.607363|12.965544|5.805368|36.858105| |6.393422|6.367764|8.052568|5.223235|5.696581|0.095861|4.442151|3.423866|5.816248|2.779634|0.077950|2.397405|17.620334|2.336576|3.467695|3.063799|1.994001|2.742309|1.790121|0.046173|1.727094|1.752242|1.519428|1.773609|3.273308|2.969416|1.753500|1.619497|1.470666|1.466773|11.683302|4.255309|15.925470|73.516695| |4.260346|5.159897|8.170955|6.751213|6.310824|0.108814|4.192584|3.169257|5.089836|2.736735|0.079879|2.305248|17.893713|2.520324|3.923490|3.532000|2.225446|2.963195|1.886349|0.049138|1.796540|1.854244|1.569872|1.830404|3.405444|3.008867|1.955945|1.775745|1.617758|1.636863|13.267534|6.609915|14.238691|15.327593|73.516695| |3.524696|3.892772|5.240744|4.502739|4.701479|0.084409|3.242008|2.599818|4.296588|2.284602|0.066043|1.982455|15.120492|2.127449|3.248204|2.993875|1.924136|2.558403|1.657270|0.043552|1.589752|1.641841|1.409487|1.612345|2.987051|2.674377|1.725655|1.582449|1.461115|1.482954|11.867263|4.592618|8.147399|13.018223|24.031240|36.858105| |17.564234|8.921721|6.453587|4.590685|6.081498|0.101937|5.848248|4.829556|9.157189|3.486359|0.090709|3.012623|21.668617|2.618412|3.683343|3.130212|2.091516|3.009838|2.000875|0.050453|1.969669|1.965466|1.718018|2.009967|3.639421|3.426031|1.807308|1.677958|1.501200|1.476541|11.729877|3.455623|5.959279|12.032316|7.525441|3.604053|0.500000| |17.681448|8.913062|5.476759|4.334442|6.410386|0.108721|6.988719|6.702130|14.510792|4.401287|0.110199|3.898366|24.864038|2.878230|3.937118|3.306040|2.238838|3.285279|2.203327|0.054892|2.141996|2.074898|1.861366|2.280452|4.159350|3.906469|1.921428|1.804194|1.594990|1.545376|12.172638|3.235054|4.535445|8.361521|6.158792|2.942631|0.300878|0.500000| |17.584771|8.914915|6.587957|4.627662|6.076744|0.101058|5.780941|4.756433|8.722800|3.520688|0.094894|3.116878|20.425226|2.544489|3.619502|3.122345|2.079687|2.953963|1.960154|0.049734|1.882078|1.847446|1.652121|2.010359|3.723942|3.405337|1.811175|1.700202|1.521089|1.485209|11.675164|3.480110|6.180083|12.623858|7.729724|3.698589|0.304522|0.299219|0.500000| |2.917475|3.231139|2.804093|3.028442|5.182980|0.114314|4.085337|5.492792|8.817843|8.871919|0.217188|17.621240|45.250743|5.285532|5.860833|5.033275|3.891103|6.530216|4.804447|0.109833|4.030296|3.262118|3.366331|6.602764|12.918835|10.863850|3.239711|3.224120|2.608033|2.339195|17.916438|2.652397|2.320896|3.837643|3.781269|1.844869|0.072073|0.089030|0.074535|0.500000| |3.606860|3.876271|3.191056|3.291495|5.604660|0.114786|4.842106|6.930880|11.769467|8.876264|0.211235|17.532865|36.063570|4.124530|5.056099|4.297502|3.119588|4.866094|3.402943|0.081701|3.027000|2.629188|2.599998|4.109912|8.021453|6.978926|2.644335|2.599515|2.184785|2.004534|15.362683|2.757262|2.617831|4.383754|4.142849|2.011923|0.085493|0.114497|0.092747|0.299608|0.500000| |3.374836|3.572876|2.936733|3.030498|5.161189|0.107841|4.470697|6.782860|12.814969|8.803945|0.173708|17.617437|45.473662|4.415416|5.028130|4.197488|3.139588|5.195564|3.819227|0.088392|3.607329|3.044658|3.048259|4.576784|7.984136|8.291350|2.634738|2.561960|2.151437|1.985232|15.340256|2.563575|2.427048|4.088764|3.852663|1.883506|0.083481|0.108545|0.083700|0.299533|0.301739|0.500000| |2.217356|2.458106|2.268152|2.500341|4.044151|0.092747|2.947472|3.430941|5.693669|4.263472|0.107880|4.129522|46.041007|5.860854|5.765933|5.176684|4.478062|8.769386|8.870118|0.176600|17.597373|8.866010|8.954205|6.876953|8.786441|12.491148|3.743697|3.481271|2.857831|2.670236|21.368802|2.339634|1.941656|3.204075|3.271646|1.623941|0.058848|0.064877|0.055724|0.125138|0.092986|0.118240|0.500000| |1.880835|2.122155|2.078105|2.358443|3.622741|0.084632|2.459303|2.594015|4.200062|3.021207|0.083722|2.751739|29.030470|4.988274|5.770607|5.981232|5.449441|8.555861|6.803154|0.193362|8.745912|17.510745|6.798833|4.385650|6.627312|6.986205|4.994892|4.176709|3.575766|3.621898|31.676146|2.367707|1.821263|2.966132|3.186120|1.595457|0.050636|0.053012|0.048077|0.081705|0.066690|0.074547|0.172994|0.500000| |1.927295|2.137094|2.051182|2.271365|3.498440|0.079650|2.461709|2.651795|4.409730|3.011612|0.079826|2.778576|29.972766|4.385737|4.961849|4.733975|3.980107|6.590221|5.442381|0.138413|8.810808|17.529546|7.114044|3.968402|5.852884|6.839982|3.535670|3.135862|2.738665|2.724652|22.579474|2.216716|1.800956|2.967015|3.105004|1.560416|0.052435|0.054903|0.048763|0.080646|0.066726|0.078218|0.210894|0.301631|0.500000| |2.236251|2.566733|2.480229|2.841142|4.496022|0.106656|3.051787|3.242983|5.168050|3.771847|0.101518|3.249929|41.350677|6.788053|7.332645|6.662961|5.526320|9.704043|6.574289|0.154896|8.666999|17.571493|5.492157|4.456613|6.791853|7.072418|4.357177|3.597021|3.004366|3.007785|26.660037|2.776537|2.123331|3.431924|3.662738|1.803720|0.060289|0.063121|0.056054|0.093483|0.076892|0.088657|0.211846|0.301930|0.302630|0.500000| |1.671524|1.832771|1.759174|1.939959|2.977307|0.067637|2.101457|2.294763|3.828386|2.711980|0.074148|2.687660|24.056313|3.740882|4.261134|4.390470|4.026290|6.451269|6.802245|0.217622|8.764973|6.969953|17.483731|5.133559|7.155380|9.162361|4.081184|4.075340|3.579255|3.316187|24.638827|1.907985|1.558547|2.582229|2.699237|1.368834|0.044694|0.047939|0.043203|0.082979|0.065487|0.074085|0.174003|0.204246|0.177841|0.140388|0.500000| |1.767966|1.917309|1.800720|1.960533|3.054840|0.068715|2.215558|2.505800|4.244725|3.024509|0.080584|3.160535|26.382865|3.785395|4.171140|4.116943|3.679603|6.237614|7.038145|0.189372|8.810119|5.524593|17.657830|6.626252|8.357748|14.494047|3.545519|3.656870|3.123395|2.801386|20.560881|1.881368|1.585055|2.643361|2.706801|1.369548|0.046928|0.051512|0.045590|0.100170|0.075702|0.089002|0.213827|0.139979|0.143534|0.122608|0.299558|0.500000| |1.731707|1.874373|1.771213|1.922543|2.961699|0.066274|2.143216|2.382441|4.063219|2.764578|0.072876|2.767656|25.212580|3.543268|3.978630|3.879390|3.358109|5.571822|5.503253|0.146320|8.797702|6.952606|17.516984|4.553680|6.292979|8.899001|3.184440|3.102225|2.737012|2.584083|19.626118|1.854368|1.568587|2.619473|2.686210|1.363639|0.046640|0.050148|0.044371|0.083458|0.066718|0.079253|0.216195|0.167033|0.214773|0.142486|0.301577|0.300333|0.500000| |1.841131|2.080652|2.040395|2.329172|3.598620|0.084124|2.424502|2.577825|4.088127|3.212281|0.098619|3.160339|24.248210|4.465385|5.612520|6.732861|6.762630|8.218304|6.241663|0.215342|4.239444|3.654756|3.890978|6.221270|13.183920|8.333873|8.961573|17.733512|8.527752|5.714629|37.695201|2.347110|1.785717|2.902143|3.133340|1.568074|0.047690|0.052101|0.048658|0.103116|0.080268|0.078526|0.102204|0.108104|0.085217|0.096727|0.114277|0.110335|0.088542|0.500000| |1.490077|1.655238|1.656590|1.860504|2.747911|0.062336|1.856608|1.916589|3.111643|2.235390|0.067081|2.196806|16.792293|2.892174|3.857859|4.611808|4.060220|4.806482|3.626799|0.122559|2.969072|2.787452|2.959693|3.448192|6.542662|5.338813|5.728553|8.596865|17.741998|8.909255|37.708711|1.928574|1.495614|2.451927|2.671790|1.366807|0.039159|0.041733|0.039861|0.068154|0.057528|0.056416|0.072395|0.085962|0.068509|0.073140|0.091811|0.082285|0.071140|0.199881|0.500000| |1.436439|1.606803|1.644774|1.864124|2.687227|0.060979|1.779576|1.784984|2.888865|2.020267|0.060437|1.913414|15.551111|2.708941|3.780058|4.649407|3.865907|4.353572|3.077389|0.100206|2.685165|2.746224|2.611875|2.719779|4.991248|4.262551|5.417806|5.683041|8.767621|17.780278|55.374480|1.997627|1.501677|2.447091|2.732304|1.405273|0.038182|0.039683|0.038380|0.057445|0.050085|0.049611|0.065398|0.087936|0.068195|0.073572|0.081606|0.069149|0.064937|0.122173|0.203686|0.500000| |3.435010|4.514287|6.339101|8.907818|8.210014|0.154543|4.464704|3.412975|5.138364|3.205316|0.100412|2.613934|21.007420|3.245173|5.512317|5.095616|2.995454|3.789426|2.300949|0.060322|2.108836|2.179428|1.811379|2.200978|4.198965|3.501879|2.587030|2.289554|2.056949|2.094919|17.470089|17.592497|5.703207|7.526220|12.506992|4.987421|0.088894|0.083811|0.093825|0.068758|0.072390|0.065793|0.058744|0.059464|0.055427|0.067817|0.049159|0.048595|0.047477|0.062307|0.052155|0.053895|0.500000| |3.264262|4.379087|5.486351|8.948034|10.220029|0.228950|4.881233|3.819454|5.547840|3.774984|0.120507|2.940538|26.337343|4.382682|8.293382|7.396600|3.984408|4.924570|2.832961|0.073567|2.569695|2.709016|2.143122|2.612922|4.953701|4.066533|3.255138|2.752228|2.411341|2.475421|21.684078|17.595970|4.422643|6.162959|8.543771|3.656992|0.084844|0.082489|0.085054|0.078265|0.078473|0.073449|0.070861|0.073973|0.067431|0.086716|0.058173|0.056692|0.055679|0.073871|0.059800|0.062530|0.300381|0.500000| |3.447029|4.534922|6.374199|8.904594|8.177429|0.155692|4.471883|3.407133|5.182852|3.139018|0.094214|2.522779|22.052635|3.348906|5.650112|5.054034|2.988306|3.852617|2.336658|0.060859|2.207043|2.352760|1.878575|2.173031|4.027917|3.483703|2.544772|2.211060|1.989126|2.052258|17.481292|17.595950|5.741382|7.580336|12.525033|4.999726|0.093501|0.083789|0.090161|0.066024|0.068097|0.064995|0.061683|0.063788|0.060359|0.074802|0.050845|0.049685|0.049774|0.059624|0.050152|0.052932|0.303207|0.300314|0.500000| |3.484723|3.714937|4.770056|4.029862|4.350198|0.078475|3.075274|2.502093|4.202010|2.182151|0.062104|1.902764|14.656291|2.032519|3.061433|2.808884|1.823693|2.447659|1.598245|0.041940|1.551113|1.609096|1.378976|1.550421|2.846132|2.589056|1.636763|1.501877|1.389150|1.411114|11.281795|3.995756|7.202809|12.986611|16.443644|17.621697|0.103094|0.080912|0.100073|0.049071|0.053361|0.050792|0.044180|0.043283|0.042805|0.049105|0.037125|0.037151|0.037283|0.041347|0.036143|0.037217|0.114207|0.090882|0.123848|0.500000| |3.493366|3.715967|4.766824|4.022370|4.349620|0.078158|3.075699|2.506666|4.185617|2.203696|0.063740|1.941564|14.322320|2.004506|3.030554|2.806865|1.820278|2.425921|1.583890|0.041681|1.513407|1.547136|1.349740|1.558525|2.900852|2.594110|1.643206|1.522056|1.408060|1.420622|11.241867|3.974286|7.199075|12.981217|16.444383|17.621679|0.097647|0.081321|0.106069|0.050155|0.055399|0.051199|0.043008|0.041758|0.040859|0.046860|0.036391|0.036643|0.036239|0.042123|0.036786|0.037437|0.122521|0.090418|0.113916|0.300777|0.500000| |2.999306|3.352101|4.402846|4.113093|4.353447|0.080302|2.921236|2.383487|3.915128|2.146500|0.062566|1.868384|14.410161|2.069151|3.185017|2.989745|1.915481|2.514392|1.625272|0.043023|1.555294|1.615877|1.383075|1.570767|2.913085|2.596682|1.733070|1.584989|1.473658|1.506906|12.080291|4.551270|5.933228|9.272958|16.959209|17.634700|0.084412|0.071442|0.086232|0.048828|0.052411|0.049178|0.043783|0.043973|0.042607|0.049218|0.037538|0.037236|0.037122|0.043325|0.038248|0.039832|0.141503|0.102376|0.141300|0.298711|0.298722|0.500000| 2232.642996 -12986.898543 4913.201456 -241.524155 -6082.578245 3847.731136 -2234.847109 2.000987 4096B00000000002 45088DCAE5D12A4E 448875559040E965 41448FC500000005 C055000000000000 4307A4F952015B58