Version2.4 2021-05-26T10:43:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(cn(n1)CCC(=O)N[C@H]2[C@H]3N(C2=O)C(=C(CS3)CSc4nnc(s4)C)C(=O)[O-])Cl C02809230 RHF 6-31G(d) (6D,7F) Cc1c(cn(n1)CCC(=O)N[C@H]2[C@H]3N(C2=O)C(=C(CS3)CSc4nnc(s4)C)C(=O)[O-])Cl C01[X(C18H18Cl1N6O4S3)] 144 C1 532 O=C(N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)[O-])CSc1nnc(s1)C)CCn1nc(c(c1)Cl)C O=C(N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)[O-])CSc1nnc(s1)C)CCn1nc(c(c1)Cl)C Cc1sc(SCC2=C(N3[C@@H](SC2)[C@H](NC(=O)CCn4cc(Cl)c(C)n4)C3=O)C([O-])=O)nn1 InChIKey=ULUSWTFNYOCDPK-CJNGLKHVSA-M InChI=1S/C18H19ClN6O4S3/c1-8-11(19)5-24(23-8)4-3-12(26)20-13-15(27)25-14(17(28)29)10(6-30-16(13)25)7-31-18-22-21-9(2)32-18/h5,13,16H,3-4,6-7H2,1-2H3,(H,20,26)(H,28,29)/p-1/t13-,16+/m1/s1 InChI=1/C18H19ClN6O4S3/c1-8-11(19)5-24(23-8)4-3-12(26)20-13-15(27)25-14(17(28)29)10(6-30-16(13)25)7-31-18-22-21-9(2)32-18/h5,13,16H,3-4,6-7H2,1-2H3,(H,20,26)(H,28,29)/p-1/t13-,16+/m1/s1/fC18H18ClN6O4S3/h20H/q-1 Cc1c(cn(n1)CCC(=O)N[C@H]2[C@H]3N(C2=O)C(=C(CS3)CSc4nnc(s4)C)C(=O)[O-])Cl C01[X(C18H18Cl1N6O4S3)] 144 C01 532 O=C(N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)[O-])CSc1nnc(s1)C)CCn1nc(c(c1)Cl)C O=C(N[C@@H]1C(=O)N2[C@H]1SCC(=C2[C]([O])=O)CSc1nnc(s1)C)CC[N]1[CH][C]([C]([N]1)C)Cl C[C]1[N]N([CH][C]1Cl)CCC(=O)N[C@H]2[C@@H]3SCC(=C(N3C2=O)C([O])=O)CSc4sc(C)nn4 InChIKey=XIWCAJFCMAGNJB-CJNGLKHVSA-N InChI=1S/C18H18ClN6O4S3/c1-8-11(19)5-24(23-8)4-3-12(26)20-13-15(27)25-14(17(28)29)10(6-30-16(13)25)7-31-18-22-21-9(2)32-18/h5,13,16H,3-4,6-7H2,1-2H3,(H,20,26)/t13-,16+/m1/s1 InChI=1/C18H18ClN6O4S3/c1-8-11(19)5-24(23-8)4-3-12(26)20-13-15(27)25-14(17(28)29)10(6-30-16(13)25)7-31-18-22-21-9(2)32-18/h5,13,16H,3-4,6-7H2,1-2H3,(H,20,26)/t13-,16+/m1/s1/f/h20H 3614.7667941896 -2970.2529687 1-A 37073.8588 133 399 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3269.6124 3272.7331 3273.3789 3279.0780 3282.9022 3296.7116 3308.4510 3316.2216 3323.4505 3340.7171 3396.4183 3463.4051 3867.3470 6.0839 8.1020 7.8594 7.8550 9.1217 8.9830 8.2676 6.6245 5.5243 8.6283 5.7940 4.9919 5.6518 6.0741 4.1750 1.1847 2.4335 3.1937 2.2440 3.6753 5.9989 6.4530 5.1657 7.0048 5.2073 5.2481 3.1188 7.4128 9.1831 4.7204 5.7976 4.6548 5.0612 5.0552 3.5397 5.6824 7.0005 7.7884 1.6520 3.3008 3.3821 7.5501 4.8427 4.6005 5.0346 7.5367 5.5432 3.1366 3.3682 11.7663 6.4429 4.4172 4.1305 7.8202 5.0068 5.8062 5.7925 5.9611 6.4826 10.1593 4.8237 2.0836 4.5379 3.1844 9.0612 4.7106 2.2588 1.4070 1.9851 3.9115 3.6759 2.3477 3.1664 5.7032 2.3720 2.3606 3.5377 12.0170 1.9671 1.4245 1.5059 3.7420 5.7587 5.5435 3.0169 2.8881 1.3864 1.6482 1.6945 1.1899 3.8171 1.5322 2.1263 1.3790 1.4409 1.4793 1.2612 1.3507 2.0230 1.4918 2.3754 3.3387 4.2482 1.9910 5.7398 1.3168 1.4412 1.6666 3.2739 1.1488 1.1020 1.1652 1.0435 1.0441 1.0780 1.1236 1.1429 9.6639 4.8346 2.0122 5.8611 9.0734 9.0208 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16.8659 18.5201 26.9300 21.0283 31.7742 6.3156 6.3150 6.5058 6.5151 6.9306 6.9464 6.8716 6.9277 6.9453 6.7469 6.8297 7.1074 7.1406 7.0766 7.2844 7.4841 7.7811 9.5119 0.6263 0.3098 1.5867 0.0070 1.2117 4.7392 8.8280 2.4259 3.5707 6.3578 3.5656 6.8580 0.3677 1.3538 4.6707 1.0653 2.7292 3.9506 0.4317 0.2349 1.8815 0.5835 2.6501 4.9940 4.2994 3.0710 7.7777 5.0589 15.1302 17.1863 6.1956 12.5735 0.4865 15.9329 6.0229 5.7274 0.5310 0.1481 77.1176 6.9089 5.9774 12.8074 9.0014 13.5001 19.8817 1.5186 14.6093 2.2601 5.5731 0.7609 7.7930 19.8746 10.6408 5.5746 14.7519 35.5105 3.5580 16.4373 23.0628 12.0163 4.1407 22.2065 76.0686 10.9974 15.6631 7.9233 17.5160 13.5602 3.2437 4.8042 2.2040 21.7307 10.9018 35.4118 2.1451 8.8874 7.2951 103.8893 8.8998 0.2229 0.1405 52.4852 68.4614 19.8389 37.7843 71.2818 62.7256 45.2236 30.1253 16.9500 32.9668 68.1694 76.2707 73.1367 84.5120 6.8753 77.0941 82.4049 93.2578 76.8322 76.4070 180.2185 75.5511 81.1764 465.3948 3.6612 6.2547 32.1527 72.3361 42.3070 8.5448 7.2936 7.6876 5.5133 8.3957 18.3800 6.7569 121.8271 9.4953 582.7982 24.0531 21.3446 160.3714 619.4855 300.9169 855.6081 31.8756 39.2928 37.9799 9.5585 24.7459 21.4582 33.9527 8.2169 8.5349 19.3521 8.7351 14.1181 9.5030 4.6540 9.7237 1.3358 0.0961 51.1519 0.8748 0.2638 0.3691 2.4272 1.3284 1.4596 1.9257 0.4625 0.7312 0.4486 0.7226 0.3626 0.5986 0.4331 2.4094 0.1862 0.2976 0.3143 0.1559 0.6423 1.0600 0.7899 1.0818 1.3912 0.9171 6.6295 0.6485 0.9529 2.9101 1.4574 2.0319 1.4212 0.6893 2.6393 2.1305 1.3494 0.8465 1.8948 0.8807 4.5946 0.4889 5.1713 2.6836 2.2525 2.0992 1.1852 4.0503 4.0318 3.6457 1.4872 5.2346 7.9212 1.3845 11.7565 6.1642 47.6444 1.0242 2.6910 10.4810 17.9123 31.0819 4.3625 1.4231 2.7454 3.7216 5.2464 6.8186 1.6499 2.2293 2.8363 10.0135 2.5553 1.7977 9.7785 21.9080 5.1447 6.8648 2.1608 2.2880 0.6506 1.0854 7.0297 1.4729 31.2176 5.5142 6.9038 0.8645 3.1268 3.3873 7.3345 4.3505 4.0203 3.2635 6.1810 22.1650 6.3339 36.2921 38.6411 34.4412 3.0065 8.6263 13.1001 27.8436 2.1277 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0.6010 0.4630 0.6798 0.5363 0.7457 0.6452 0.7114 0.8127 0.5192 0.6726 0.8552 0.8391 0.2954 0.7389 0.7067 0.6490 0.8555 0.8532 0.7079 0.8122 0.8317 0.4687 0.7846 0.6617 0.4777 0.4263 0.4542 0.5165 0.5646 0.6671 0.0571 0.0896 0.3128 0.2045 0.8565 0.8555 0.3766 0.8554 0.6791 0.1237 0.1464 0.8433 0.8194 0.3145 0.8568 0.6223 0.4680 0.2479 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 6 6 6 6 7 7 6 6 6 8 7 6 1 6 1 7 6 8 6 6 6 16 6 16 6 7 7 6 16 6 6 8 8 17 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 14.00307 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 15.99491 34.96885 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 5948.8025 65717.3424 68739.3917 0.99997 -0.00729 -0.00286 0.00728 0.99996 -0.00483 0.00290 0.00481 0.99998 1 0.01456 0.00132 0.00126 0.30338 0.02746 0.02625 10.04 12.95 16.91 28.51 32.96 40.90 51.12 58.77 72.82 88.35 119.47 121.23 137.24 163.36 168.03 171.74 189.00 192.89 212.41 229.48 235.47 266.07 308.39 318.11 361.32 373.03 392.12 409.11 423.15 443.29 478.78 509.03 527.32 551.39 571.29 584.75 620.59 662.02 676.70 701.43 711.89 745.36 758.15 777.64 810.63 870.70 924.95 942.61 946.47 963.20 965.57 984.68 1001.62 1026.28 1080.22 1090.14 1099.94 1160.08 1175.82 1182.40 1197.89 1234.47 1254.97 1280.24 1301.85 1338.47 1376.43 1381.72 1435.91 1461.48 1547.06 1580.87 1585.50 1591.17 1608.53 1609.06 1642.20 1651.09 1669.81 1675.45 1687.99 1690.59 1724.50 1764.58 1770.81 1796.91 1830.97 1873.09 1883.15 1906.49 1911.63 1935.20 1947.76 1982.42 1995.94 2042.64 2062.11 2070.48 2096.62 2126.10 2142.53 2165.42 2173.00 2184.67 2239.40 2246.07 2250.09 2263.81 2306.78 2319.45 2326.46 2331.28 2336.16 2340.14 2340.44 2348.09 2353.20 2385.51 2393.79 2475.09 2523.36 2555.57 2685.77 2785.45 2796.36 2962.04 4623.32 4624.29 4626.35 4631.61 4699.71 4704.24 4708.73 4709.66 4717.86 4723.36 4743.23 4760.12 4771.30 4781.70 4806.55 4886.69 4983.07 5564.25 0.390420 0.420767 0.421712 0.319145 -2969.862548 -2969.832201 -2969.831257 -2969.933823 3.440080D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE Cc1c(cn(n1)CCC(=O)N[C@H]2[C@H]3N(C2=O)C(=C(CS3)CSc4nnc(s4)C)C(=O)[O-])Cl C02809230 RHF 6-31G(d) (6D,10F) C1 513.024021 |X|Y|Z| 50.539332 30.687666 183.242439 65.746576 24 6 7 16 15 6 3 |36.858105| |12.732788|36.858105| |7.275574|13.508487|36.858105| |5.186128|8.629572|13.980369|36.858105| |5.360204|9.001739|8.820346|14.256530|53.358707| |7.769467|14.595873|8.589515|8.615985|19.475098|53.358707| |3.933986|5.452489|5.319167|7.607011|17.872875|10.750665|36.858105| |3.550201|4.562371|4.300229|5.456457|10.523538|8.477757|12.494837|36.858105| |2.788474|3.375091|3.257544|3.988378|6.824575|5.798796|7.595832|12.532327|36.858105| |2.552090|3.079681|3.050943|3.778772|6.218503|5.161232|6.952544|7.994727|15.836272|73.516695| |2.521789|2.926908|2.787187|3.243862|5.319396|4.848498|5.117886|7.869581|14.138842|15.083814|53.358707| |2.125894|2.407916|2.320373|2.652378|4.178930|3.856252|3.851791|5.027483|7.783571|12.102708|18.054519|36.858105| |2.063764|2.336561|2.252593|2.582105|4.077533|3.751512|3.813801|4.649955|7.229910|13.134146|12.503194|17.657046|0.500000| |1.905914|2.145918|2.116870|2.406906|3.641817|3.333235|3.225906|4.023281|5.513504|9.246188|10.132047|12.310961|0.238388|36.858105| |1.965982|2.231969|2.231531|2.554032|3.810555|3.441461|3.340781|4.221784|5.536568|9.048943|9.597776|8.525658|0.175186|17.613898|0.500000| |1.819812|2.005963|1.948345|2.162381|3.271998|3.089385|2.806950|3.484856|4.410985|7.126588|8.324324|9.177159|0.186200|13.230629|0.250089|53.358707| |1.964305|2.162502|2.059417|2.282734|3.543973|3.393268|3.086438|3.909580|5.071014|7.897126|10.420713|12.374352|0.239350|9.152811|0.184821|19.043021|36.858105| |1.948348|2.108090|1.976076|2.153817|3.357436|3.299264|2.863907|3.550515|4.319302|6.743695|8.179328|7.622907|0.179844|5.838618|0.131676|10.988894|16.108848|73.516695| |1.626582|1.768703|1.727322|1.890230|2.805040|2.671527|2.339602|2.802716|3.346384|5.552974|5.771775|5.497037|0.127925|7.496891|0.176448|18.478755|7.452229|10.525329|36.858105| |1.506896|1.641283|1.622882|1.779996|2.604461|2.457448|2.164501|2.523034|2.998040|5.159700|4.889229|4.558644|0.112733|6.514263|0.161115|11.035222|5.278489|7.720616|14.314328|36.858105| |1.506097|1.658089|1.658379|1.841935|2.680819|2.486992|2.256834|2.585358|3.141241|5.633353|4.923734|4.644228|0.120257|7.032391|0.174510|8.957362|4.680234|6.716025|7.495316|12.539262|36.858105| |1.668860|1.866420|1.864492|2.112038|3.127496|2.853635|2.733997|3.146543|4.113901|7.738974|6.398904|6.656092|0.184070|10.513963|0.218877|9.647207|5.599082|7.584938|5.941060|6.651913|10.442881|388.023441| |1.362693|1.468517|1.455856|1.578002|2.280742|2.169254|1.857841|2.122170|2.432897|4.204406|3.835350|3.357854|0.085509|4.317703|0.113903|6.905003|3.828514|6.045664|7.691750|12.626201|7.562522|32.243974|36.858105| |1.251298|1.336018|1.316375|1.416205|2.050881|1.969391|1.663184|1.867002|2.125805|3.714980|3.300888|2.880736|0.076330|3.411017|0.087101|5.429028|3.321726|5.547718|5.398479|6.801742|5.233626|26.448348|10.346324|388.023441| |1.167542|1.249179|1.241330|1.337956|1.920406|1.832084|1.554521|1.712939|1.944477|3.468902|2.934172|2.527019|0.068576|2.981706|0.077424|4.387131|2.748332|4.549741|3.960238|5.088006|4.834057|24.805629|6.802855|77.211986|36.858105| |1.169017|1.257033|1.258722|1.362502|1.943402|1.839723|1.574208|1.725872|1.960161|3.527932|2.921923|2.498836|0.067864|3.006581|0.079610|4.237022|2.628737|4.272726|3.714564|4.910783|5.186232|25.875102|6.265574|49.566848|14.933655|53.358707| |1.093098|1.172737|1.177819|1.271740|1.804308|1.708463|1.454259|1.571853|1.769908|3.215152|2.592308|2.182152|0.060135|2.551226|0.067983|3.520791|2.254583|3.708205|2.954771|3.670284|3.981685|21.939975|4.320149|34.521138|8.602429|18.930835|53.358707| |1.044307|1.114492|1.114425|1.197554|1.702493|1.622017|1.367751|1.472679|1.650196|2.992773|2.415512|2.026384|0.056237|2.309675|0.060981|3.235527|2.116777|3.543291|2.699814|3.230857|3.372884|19.456681|3.761440|32.906914|7.958622|11.727629|20.447542|36.858105| |1.070606|1.137902|1.128497|1.208886|1.731718|1.661834|1.392498|1.513225|1.698818|3.047320|2.526052|2.139327|0.059102|2.415015|0.062731|3.515858|2.308985|3.925530|3.014027|3.549593|3.453217|19.797718|4.254083|44.840425|10.883714|10.233014|10.255986|10.927745|388.023441| |0.973566|1.035912|1.037618|1.111301|1.573152|1.501077|1.256939|1.338618|1.486794|2.708928|2.149188|1.777506|0.049707|1.985345|0.052741|2.749313|1.835608|3.099260|2.235399|2.588575|2.719800|16.522632|2.904488|24.314644|4.913579|7.117891|10.632385|12.724285|47.480959|36.858105| |1.588325|1.699639|1.644193|1.768518|2.618144|2.543674|2.133231|2.544743|2.895101|4.715280|4.915703|4.256060|0.101113|4.937691|0.126172|10.322756|5.919962|9.933078|12.246107|7.431450|4.766106|28.516674|6.330336|35.808154|3.538853|4.375790|3.562276|2.455332|19.992410|2.061233|36.858105| |1.720095|1.835967|1.761781|1.886008|2.808308|2.753143|2.272008|2.765338|3.076995|4.861307|5.323013|4.342619|0.100326|4.739421|0.125862|9.493064|6.070154|10.575550|8.176909|5.432981|3.963621|25.598902|4.654891|27.099987|2.893001|3.668962|3.076575|2.127277|16.940750|1.824325|15.602146|73.516695| |1.443826|1.532721|1.486280|1.587774|2.330914|2.273100|1.880870|2.190264|2.459429|4.087308|4.022837|3.436825|0.085407|3.916995|0.100806|7.308373|4.482002|7.845351|8.088728|6.548270|4.313360|24.868271|6.866691|44.196479|3.982200|4.702019|3.792867|2.656466|22.474801|2.206097|15.471873|15.144758|73.516695| |5.612131|6.769342|11.035186|6.873895|6.740271|6.664083|3.649744|3.150026|2.558729|4.341256|3.079840|1.946428|0.052535|1.821661|0.053472|2.301812|1.759173|3.008558|1.528541|1.451553|1.482826|11.629666|1.321254|8.526134|1.138809|1.576361|1.484102|1.032789|7.400635|0.966911|1.465212|2.775384|2.379834|448.794386| |17.555122|8.898830|6.434167|4.631713|6.238817|8.194076|3.480252|3.073281|2.495617|4.151706|3.070493|1.937228|0.052760|1.748743|0.049910|2.270467|1.792175|3.162481|1.501183|1.401050|1.406581|11.062995|1.273641|8.367514|1.104601|1.507056|1.416170|0.996056|7.241407|0.932593|1.463632|2.794841|2.382059|45.298427|0.500000| |17.608649|8.989001|5.500701|4.434846|6.746743|10.163770|3.867819|3.593125|2.845837|4.585007|3.549252|2.195677|0.059289|1.941340|0.055086|2.548862|2.048374|3.657627|1.668634|1.534282|1.523509|12.021106|1.384670|9.085907|1.185769|1.607882|1.500619|1.056297|7.743131|0.983489|1.638730|3.167456|2.645725|34.396443|0.300342|0.500000| |17.557436|8.900615|6.437827|4.631317|6.234793|8.188104|3.482300|3.280054|2.605590|4.214093|3.268307|2.034979|0.054332|1.849852|0.053386|2.419669|1.900918|3.349723|1.601724|1.484140|1.475313|11.485792|1.349715|8.784152|1.150846|1.568894|1.465728|1.028002|7.494672|0.957950|1.576014|3.048159|2.549801|45.309245|0.302175|0.300415|0.500000| |4.047539|5.836713|8.590958|17.816291|12.268896|8.052637|6.771451|5.009863|3.906346|6.821118|4.300266|2.630116|0.071356|2.437613|0.072563|2.934233|2.239542|3.709910|1.891368|1.801816|1.888615|15.441055|1.597948|10.149444|1.358845|1.896565|1.774366|1.222338|8.711462|1.135248|1.751193|3.291288|2.800733|48.375587|0.104085|0.098678|0.104063|0.500000| |3.782800|4.972933|4.601986|5.932900|12.565925|9.788123|17.633574|8.834198|6.843939|11.968913|6.535506|3.760573|0.107541|3.068472|0.085560|3.685065|3.040219|5.110465|2.260068|2.089819|2.177514|18.894813|1.796835|11.613681|1.528364|2.095896|1.943440|1.350992|9.814015|1.245349|2.065426|3.883590|3.259458|26.348490|0.095041|0.106605|0.090996|0.147074|0.500000| |3.398649|4.574221|4.880663|7.294419|12.605042|7.921402|17.655064|8.850764|7.011820|13.189071|6.431976|3.735607|0.104063|3.249326|0.094649|3.745118|2.944100|4.770316|2.309595|2.175853|2.316503|20.168862|1.868211|11.840140|1.574118|2.189313|2.030017|1.395752|10.009115|1.284675|2.074947|3.875885|3.268098|28.481073|0.086013|0.090887|0.085320|0.212682|0.303395|0.500000| |3.490614|4.485633|4.436606|5.633946|9.637802|7.697766|8.849012|17.525661|8.951726|11.317157|9.356951|4.618419|0.114293|3.996919|0.122871|4.704645|3.705676|5.903429|2.824860|2.556137|2.610312|21.982331|2.162826|13.307375|1.717179|2.368568|2.151474|1.472627|10.714921|1.336193|2.576763|5.020365|3.929058|26.567542|0.083433|0.095608|0.092572|0.147915|0.173473|0.210529|0.500000| |3.854219|4.779060|4.171320|4.879513|9.480351|9.174653|8.847006|17.575654|8.840597|10.719024|9.887224|4.736895|0.120818|3.713254|0.105658|4.628022|3.945458|6.649639|2.753915|2.435120|2.433273|20.554511|2.064560|13.053388|1.666467|2.262623|2.058807|1.426828|10.525259|1.297661|2.571074|5.056980|3.931163|24.578827|0.090565|0.112751|0.098511|0.118922|0.212666|0.173681|0.303356|0.500000| |2.636658|3.019145|2.824122|3.209507|5.260644|4.976316|4.764481|7.530060|9.386859|10.855481|26.042288|9.103734|0.183168|6.232645|0.171761|7.974659|7.398583|11.141604|4.202806|3.458893|3.334044|28.584397|2.766558|16.905526|2.083620|2.802983|2.481980|1.705965|12.781001|1.518581|3.783480|7.661353|5.427236|18.413166|0.064681|0.076405|0.070482|0.085192|0.122636|0.118115|0.194736|0.220529|0.500000| |1.494244|1.649615|1.666925|1.853860|2.664146|2.455232|2.222841|2.530921|3.012445|5.401606|4.605445|4.093664|0.104914|6.068585|0.171319|7.347218|3.984727|5.814604|5.993220|8.905976|17.549817|56.396768|6.793808|32.170312|4.399033|6.833955|5.355304|3.243468|22.664856|2.648014|4.205212|6.464724|6.809636|12.053028|0.038788|0.041699|0.040838|0.053248|0.058855|0.064005|0.072334|0.065544|0.087395|0.500000| |1.402045|1.534629|1.535048|1.695805|2.457791|2.290359|2.055219|2.304713|2.762264|5.036197|4.221426|3.900248|0.105783|5.254832|0.130426|6.911454|3.956987|5.953703|5.807188|8.915619|17.591264|57.549588|7.107374|40.888140|5.933730|8.996133|6.692669|4.063925|29.079207|3.174916|4.107998|6.061757|7.020504|11.094132|0.036593|0.039414|0.038094|0.048316|0.055666|0.058699|0.064055|0.060580|0.079632|0.305063|0.500000| |1.315995|1.421289|1.420749|1.542224|2.208773|2.088283|1.792883|2.024013|2.305932|4.034481|3.551776|3.052532|0.078725|3.932563|0.107150|5.808008|3.310698|5.214645|5.723366|8.852566|7.422165|30.888231|17.640492|56.725614|7.200120|10.594514|6.893715|4.134674|30.912867|3.142224|4.757226|6.761540|8.876908|10.419507|0.034278|0.036945|0.036243|0.043690|0.048000|0.050559|0.057638|0.054188|0.070596|0.211928|0.205426|0.500000| |1.364763|1.462682|1.446052|1.556610|2.246076|2.151261|1.811331|2.079370|2.340760|3.981887|3.705426|3.151201|0.079082|3.927704|0.106409|6.459745|3.664680|5.920996|7.180216|8.871182|5.614369|27.194195|17.747938|57.938694|5.371844|6.679283|4.961198|3.268740|26.447418|2.605098|7.221373|9.346521|14.936278|10.567232|0.035353|0.038557|0.037745|0.043594|0.048486|0.050243|0.059307|0.056716|0.075903|0.148634|0.142448|0.299427|0.500000| 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