Version2.4 2021-06-07T04:15:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)Sc2c3c(nc(n2)[O-])n(cn3)[C@H]4[C@@H]([C@@H]([C@@H](O4)COC(=O)C)OC(=O)C)OC(=O)C C65743411 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)Sc2c3c(nc(n2)[O-])n(cn3)[C@H]4[C@@H]([C@@H]([C@@H](O4)COC(=O)C)OC(=O)C)OC(=O)C C01[X(C23H23N4O8S1)] 171 C1 590 CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](O[C@H]1n1cnc2c1nc([O-])nc2Sc1ccc(cc1)C)COC(=O)C CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](O[C@H]1n1cnc2c1nc([O-])nc2Sc1ccc(cc1)C)COC(=O)C CC(=O)OC[C@@H]1O[C@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)n2cnc3c(Sc4ccc(C)cc4)nc([O-])nc23 InChIKey=FGOSQAPWZULDRY-OSGXGRJZSA-M InChI=1S/C23H24N4O8S/c1-11-5-7-15(8-6-11)36-21-17-20(25-23(31)26-21)27(10-24-17)22-19(34-14(4)30)18(33-13(3)29)16(35-22)9-32-12(2)28/h5-8,10,16,18-19,22H,9H2,1-4H3,(H,25,26,31)/p-1/t16-,18+,19+,22+/m0/s1 InChI=1/C23H24N4O8S/c1-11-5-7-15(8-6-11)36-21-17-20(25-23(31)26-21)27(10-24-17)22-19(34-14(4)30)18(33-13(3)29)16(35-22)9-32-12(2)28/h5-8,10,16,18-19,22H,9H2,1-4H3,(H,25,26,31)/p-1/t16-,18+,19+,22+/m0/s1/fC23H23N4O8S/q-1 Cc1ccc(cc1)Sc2c3c(nc(n2)[O-])n(cn3)[C@H]4[C@@H]([C@@H]([C@@H](O4)COC(=O)C)OC(=O)C)OC(=O)C C01[X(C23H23N4O8S1)] 171 C01 590 CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](O[C@H]1n1cnc2c1nc([O-])nc2Sc1ccc(cc1)C)COC(=O)C CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](O[C@H]1N1C=N[C]2[C]1[N][C](=O)[N][C]2S[C]1[CH][CH][C]([CH][CH]1)C)COC(=O)C C[C]1[CH][CH][C]([CH][CH]1)S[C]2[N]C(=O)[N][C]3[C]2N=CN3[C@@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O InChIKey=ADSCCUUAYHZQAJ-OSGXGRJZSA-N InChI=1S/C23H23N4O8S/c1-11-5-7-15(8-6-11)36-21-17-20(25-23(31)26-21)27(10-24-17)22-19(34-14(4)30)18(33-13(3)29)16(35-22)9-32-12(2)28/h5-8,10,16,18-19,22H,9H2,1-4H3/t16-,18+,19+,22+/m0/s1 InChI=1/C23H23N4O8S/c1-11-5-7-15(8-6-11)36-21-17-20(25-23(31)26-21)27(10-24-17)22-19(34-14(4)30)18(33-13(3)29)16(35-22)9-32-12(2)28/h5-8,10,16,18-19,22H,9H2,1-4H3/t16-,18+,19+,22+/m0/s1 4041.3586682481 -2098.6827603 1-A 26665.3142 135 455 590 |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| -91.83718 -20.54771 -20.54632 -20.51072 -20.50523 -20.49052 -20.49039 -20.44953 -20.33824 -15.50017 -15.44304 -15.39878 -15.38872 -11.32215 -11.32135 -11.28033 -11.24658 -11.22800 -11.22730 -11.22638 -11.21421 -11.19609 -11.19072 -11.18481 -11.18049 -11.17794 -11.17721 -11.16095 -11.15342 -11.14870 -11.14244 -11.13922 -11.13642 -11.13461 -11.11874 -11.10281 -8.84699 -6.53006 -6.52837 -6.52676 -1.41679 -1.41428 -1.37906 -1.34789 -1.30893 -1.30744 -1.27067 -1.24292 -1.21204 -1.11026 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3.5759 752.6902 6.0144 251.2103 14.2083 217.2446 824.9137 454.7656 19.9194 398.7238 576.1502 66.8905 64.8743 26.3414 4.5513 3.9627 39.0986 33.1190 12.6976 33.8093 18.5955 9.8414 8.7744 27.1233 20.4296 4.9156 18.7724 38.4218 32.5505 13.9260 5.1512 17.7854 2.3725 3.4320 0.8861 1.9842 1.8206 1.6527 1.1416 2.7434 0.3698 0.9710 0.9049 2.9470 1.4298 0.4029 0.2393 0.1391 0.7554 0.1627 1.0780 0.1284 0.5150 0.4015 1.0461 0.5005 0.3263 1.0100 0.9918 0.2936 0.5436 1.8480 1.7354 0.2613 0.7629 0.2908 1.1683 2.6854 0.3607 0.9110 2.2946 0.8522 0.2673 3.0066 1.7927 0.1875 2.0755 0.4240 3.3856 0.5575 1.0911 7.0924 4.0599 2.6602 1.4567 2.0313 3.2772 3.8894 1.8052 4.8335 4.7598 8.8503 3.4156 2.9424 2.2013 1.4195 1.1369 0.7119 1.6233 31.6993 3.5109 1.1776 1.0303 16.4639 2.9289 2.8906 1.8823 4.0722 2.5230 4.2826 19.7024 8.4359 3.4988 3.6876 2.5028 4.1513 4.7649 0.3803 0.5372 1.5169 6.5433 3.7677 0.3262 1.5472 1.0102 1.0665 11.6449 4.5825 16.1648 25.9896 36.9599 124.8683 34.9626 2.6703 4.3623 3.9248 1.6118 5.9356 4.4138 36.5253 9.1248 6.9114 6.0231 4.5436 7.7320 0.4343 7.9488 12.6986 162.0128 2.7438 5.4399 3.0660 9.2926 0.4723 6.1100 2.0590 25.6117 0.7880 9.2484 2.7900 25.1108 28.2898 5.0470 14.1859 13.7345 15.2000 18.7020 22.8171 9.9197 24.6964 16.4284 6.3375 5.5462 5.5879 174.8953 6.5487 134.4581 15.1508 15.0286 1.8337 4.4975 4.4206 205.1183 148.8437 49.1360 106.4989 97.5911 110.2013 72.7629 46.0509 85.7380 57.3337 53.7764 47.1065 82.2008 93.0516 22.8411 83.7874 114.3319 94.6831 25.3437 44.0450 94.6570 58.3315 86.5551 0.7445 0.7314 0.7244 0.7178 0.7340 0.7077 0.7249 0.7481 0.7500 0.7469 0.7499 0.6966 0.7500 0.6963 0.6763 0.3000 0.4359 0.7299 0.6658 0.5878 0.2755 0.0759 0.7046 0.7321 0.7458 0.7230 0.6619 0.3275 0.2663 0.5768 0.2424 0.5010 0.7279 0.7131 0.6365 0.5889 0.3849 0.3356 0.7466 0.5255 0.3948 0.1865 0.1715 0.4859 0.2447 0.4163 0.7370 0.3997 0.2262 0.3035 0.4748 0.7500 0.3912 0.5471 0.7011 0.6992 0.5699 0.2823 0.7058 0.3249 0.2534 0.5193 0.4498 0.6622 0.7344 0.1077 0.4730 0.5014 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0.5661 0.3144 0.2927 0.6540 0.3931 0.5878 0.8486 0.5711 0.3689 0.4656 0.6439 0.8571 0.5624 0.7073 0.8243 0.8230 0.7260 0.4402 0.8275 0.4904 0.4043 0.6836 0.6205 0.7968 0.8468 0.1944 0.6423 0.6679 0.5840 0.5265 0.8228 0.8149 0.7252 0.7558 0.7050 0.8462 0.1834 0.3395 0.4854 0.8162 0.6509 0.8565 0.6888 0.8500 0.5540 0.8552 0.2277 0.8555 0.6610 0.8063 0.8071 0.8303 0.3560 0.4787 0.2978 0.4788 0.3044 0.5359 0.4920 0.8535 0.8060 0.6365 0.3021 0.3053 0.2565 0.7389 0.7981 0.7750 0.8230 0.6630 0.6694 0.5016 0.8237 0.6571 0.5088 0.4688 0.7195 0.6148 0.8321 0.6046 0.8272 0.4612 0.6151 0.7252 0.6263 0.7886 0.3844 0.5867 0.6967 0.8535 0.8305 0.8549 0.8542 0.7995 0.8429 0.8562 0.8325 0.8555 0.7977 0.6010 0.3885 0.5442 0.6149 0.8532 0.6451 0.8483 0.8431 0.6064 0.0963 0.1261 0.4234 0.0191 0.0092 0.8560 0.8571 0.1823 0.2514 0.8066 0.8571 0.8559 0.8219 0.7647 0.4973 0.7707 0.6684 0.3814 0.8022 0.3025 0.3406 0.3574 0.4342 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 6 6 6 6 6 6 6 16 6 6 6 7 6 7 8 7 6 7 6 1 6 1 6 1 6 1 8 6 8 6 8 6 8 6 8 6 8 6 8 6 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 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 15.99491 14.00307 12.00000 14.00307 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 15.99491 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 12.00000 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 9057.2018 40336.9695 47707.2312 0.99998 -0.00444 -0.00368 0.00439 0.99990 -0.01344 0.00374 0.01342 0.99990 1 0.00956 0.00215 0.00182 0.19926 0.04474 0.03783 15.22 24.56 31.98 38.24 43.03 46.46 60.77 62.47 68.83 75.78 79.22 95.94 98.38 144.82 149.00 154.22 159.03 175.66 187.87 203.94 212.26 230.37 262.84 278.58 315.24 329.07 334.36 339.25 354.36 375.21 376.25 393.60 447.55 468.47 506.06 544.08 559.13 572.88 613.59 625.06 645.77 661.54 671.18 701.92 739.39 805.58 823.62 851.85 906.59 952.01 957.17 958.59 979.25 985.31 988.72 1006.71 1009.57 1014.73 1047.76 1064.45 1107.55 1137.49 1145.82 1205.35 1210.33 1252.15 1257.28 1309.24 1313.90 1329.25 1352.53 1364.16 1383.79 1405.30 1434.81 1440.59 1465.61 1493.04 1522.15 1539.90 1559.18 1562.89 1569.08 1573.18 1608.23 1625.21 1640.48 1682.08 1683.27 1699.90 1700.69 1708.98 1713.87 1721.44 1737.76 1748.18 1750.29 1776.72 1814.61 1816.49 1842.54 1859.37 1861.15 1886.56 1912.76 1946.51 1961.00 2002.13 2020.36 2023.71 2048.74 2058.63 2082.36 2094.75 2101.65 2136.22 2147.59 2182.49 2208.63 2222.73 2233.32 2236.65 2249.54 2250.64 2253.80 2257.71 2276.25 2289.67 2317.56 2320.46 2323.46 2330.55 2331.75 2332.39 2347.55 2349.03 2361.38 2388.51 2388.77 2412.52 2527.71 2535.29 2602.88 2615.04 2665.27 2881.65 2890.28 2893.79 4596.76 4611.59 4624.58 4648.03 4648.74 4667.51 4699.88 4717.95 4721.06 4735.20 4741.11 4742.74 4772.62 4799.70 4800.74 4802.48 4809.10 4813.97 4814.55 4835.31 4862.64 4938.10 4982.66 0.484583 0.517351 0.518296 0.412668 -2098.198177 -2098.165409 -2098.164465 -2098.270092 3.542747D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE Cc1ccc(cc1)Sc2c3c(nc(n2)[O-])n(cn3)[C@H]4[C@@H]([C@@H]([C@@H](O4)COC(=O)C)OC(=O)C)OC(=O)C C65743411 RHF 6-31G(d) (6D,10F) C1 515.123661 |X|Y|Z| 68.080491 25.484014 146.222150 63.304496 21 6 7 8 16 15 4 1 1 |36.858105| |12.606401|36.858105| |7.552682|13.664042|36.858105| |5.013626|7.875211|13.812366|36.858105| |4.413280|6.790224|7.929203|13.672351|36.858105| |5.005387|7.897722|6.920304|7.968095|13.766345|36.858105| |7.541095|13.769050|7.997847|6.889914|7.904079|13.707219|36.858105| |3.125985|4.156568|4.686004|6.821655|10.694950|6.992273|4.725906|388.023441| |2.774774|3.521919|4.097301|5.684807|6.718181|4.853868|3.741057|75.557492|36.858105| |2.307978|2.806009|3.152233|4.030982|4.601966|3.708586|2.984203|49.565673|13.600300|36.858105| |2.120325|2.510160|2.820023|3.455130|3.700238|3.085755|2.603164|34.002871|8.186589|13.771159|36.858105| |2.184054|2.562262|2.916596|3.507321|3.574264|2.987257|2.591637|29.741588|6.896154|7.869871|14.592910|53.358707| |2.562647|3.070989|3.614001|4.453117|4.359401|3.508734|3.045506|33.768402|8.140349|6.936940|8.439977|18.896009|36.858105| |2.974233|3.763077|4.557142|6.244661|6.375968|4.647024|3.801910|50.339873|14.805438|8.107102|7.227282|10.755983|13.575181|53.358707| |2.598420|3.035275|3.587036|4.168168|3.854896|3.206402|2.912866|27.384755|5.559780|4.807693|5.634162|11.526896|15.649069|11.477408|73.516695| |1.853452|2.151731|2.365846|2.813796|3.026346|2.622219|2.244765|27.574688|5.475123|8.707279|13.817858|10.799804|5.313144|6.493618|7.311155|53.358707| |1.846898|2.156812|2.346361|2.810284|3.119494|2.721060|2.289896|30.159252|5.441728|9.030614|8.633604|7.450468|4.319028|5.896854|6.076057|18.680499|36.858105| |2.065295|2.466141|2.695386|3.330163|3.846454|3.271165|2.658844|41.393087|7.374262|13.716028|8.341438|7.298783|4.638584|7.004517|6.362940|11.619463|14.943833|53.358707| |1.658997|1.886573|2.063138|2.384935|2.496815|2.207342|1.942161|21.449684|3.972836|5.312714|7.589078|8.606608|4.362678|5.087084|6.522497|17.958289|7.514911|7.189097|36.858105| |1.630981|1.847380|2.040973|2.354857|2.415918|2.117283|1.878206|20.504803|3.750624|4.807955|6.587734|8.047766|4.226311|4.896352|6.465332|12.451057|6.194448|6.393150|17.622011|0.500000| |1.636720|1.842345|1.999468|2.268528|2.352631|2.113297|1.887845|19.326920|3.562289|4.379369|6.196295|8.529550|4.365811|4.836936|6.862018|10.444146|5.092493|5.554131|12.364877|0.244166|36.858105| |1.731980|1.960232|2.113766|2.403020|2.525803|2.282207|2.026476|20.713484|3.882036|4.742803|6.728477|9.361357|4.793423|5.293330|7.405516|10.348745|5.154272|5.835630|8.831072|0.177674|17.681521|0.500000| |1.457244|1.619214|1.731715|1.932487|2.010896|1.844674|1.665329|16.329131|2.835551|3.395134|4.281352|5.691209|3.242435|3.795926|5.270152|7.266008|4.174538|4.579896|7.909251|0.176019|12.472122|0.248434|36.858105| |1.428498|1.577504|1.672654|1.847628|1.924302|1.787209|1.625032|15.359338|2.630405|3.061520|3.754737|5.123473|3.027472|3.562809|5.019723|5.983033|3.580436|4.088181|5.685361|0.131762|8.708095|0.222019|17.699973|0.500000| |1.441591|1.610380|1.712999|1.925551|2.039027|1.876518|1.675819|17.005017|2.890713|3.583384|4.303179|5.238487|3.030489|3.711755|4.794114|8.013224|5.010563|5.186410|8.245342|0.171458|8.141063|0.192549|12.507309|0.241037|36.858105| |1.488596|1.668604|1.760615|1.981013|2.128674|1.976632|1.754720|17.841487|3.017648|3.751873|4.390092|5.246045|3.076136|3.830116|4.821652|7.988057|5.216064|5.486230|6.902377|0.141776|7.087370|0.199031|8.923712|0.217814|17.520560|0.500000| |1.513431|1.706150|1.837381|2.096986|2.218206|2.002920|1.770743|19.005812|3.289696|4.274802|5.230331|5.975100|3.356273|4.130212|5.168954|11.181049|6.803814|6.387932|13.603364|0.261773|8.111158|0.180545|8.239808|0.161898|13.513902|0.257781|73.516695| |1.299473|1.437209|1.517926|1.686610|1.779322|1.656330|1.493877|14.650663|2.391538|2.869518|3.261648|4.039985|2.453203|3.073557|3.963697|5.681194|3.896122|4.231550|5.293369|0.127483|5.099472|0.125279|7.402754|0.174379|12.618987|0.248753|14.230465|36.858105| |1.289554|1.429353|1.500289|1.670160|1.783293|1.670826|1.498900|14.863605|2.364163|2.848182|3.092342|3.720932|2.305789|2.973146|3.691670|5.371684|4.015791|4.384918|4.526561|0.109682|4.081047|0.105912|5.066464|0.125816|8.084908|0.211175|11.893915|13.404325|73.516695| |1.191419|1.311104|1.370543|1.513245|1.608320|1.517171|1.371935|13.248197|2.058699|2.420923|2.574434|3.148643|1.998343|2.601854|3.240083|4.290234|3.257481|3.708317|3.528575|0.089840|3.226396|0.084074|3.888780|0.099749|5.295605|0.138948|8.456863|8.105666|25.612364|36.858105| |1.124967|1.230286|1.286910|1.411569|1.486099|1.402982|1.279087|12.073379|1.875621|2.171884|2.328737|2.909976|1.858931|2.402765|3.052445|3.800339|2.811495|3.252981|3.185593|0.083326|2.994565|0.077054|3.670454|0.095346|4.619037|0.116939|7.336167|7.155827|15.276876|16.018122|73.516695| |1.181978|1.301440|1.352087|1.492172|1.599742|1.520239|1.371367|13.244359|2.005802|2.342657|2.408003|2.913062|1.882310|2.502922|3.041261|3.936875|3.134492|3.668405|3.057099|0.078240|2.754909|0.073674|3.126221|0.081320|4.089737|0.114142|6.958503|5.189569|14.503872|12.658051|14.147377|36.858105| |1.362542|1.501540|1.612229|1.785314|1.829546|1.675749|1.528372|14.670371|2.501830|2.925035|3.600771|4.903021|2.883111|3.384885|4.805849|5.884605|3.516522|3.948600|6.322783|0.168747|7.962909|0.160868|13.397193|0.257772|7.856107|0.158469|11.764928|6.605430|7.985400|3.702453|6.575355|2.933742|73.516695| |1.258727|1.373323|1.463224|1.599872|1.634314|1.514497|1.395511|12.887763|2.145167|2.442981|2.901160|3.994796|2.450629|2.920593|4.173132|4.549656|2.852022|3.306214|4.403330|0.119076|5.339857|0.122253|8.021303|0.213649|5.722296|0.127353|8.359953|5.714754|7.126611|3.497873|6.517408|2.760450|25.545672|36.858105| |1.224429|1.331229|1.406320|1.529107|1.571080|1.470936|1.359081|12.316758|2.027102|2.289716|2.672623|3.666384|2.286313|2.755434|3.904292|4.142480|2.651445|3.111204|3.814969|0.099610|4.664349|0.114597|7.027504|0.224504|5.347051|0.127163|7.358593|5.574491|7.089299|3.514120|6.583120|2.774306|15.235189|16.023796|73.516695| |1.193881|1.294695|1.383961|1.504450|1.519806|1.406120|1.305044|11.874131|1.953135|2.188934|2.558872|3.558397|2.233358|2.676051|3.858843|3.915263|2.501145|2.953729|3.671156|0.105729|4.134206|0.096249|5.179052|0.134881|4.170428|0.096130|6.778655|4.297188|5.843040|3.019862|5.769643|2.447581|14.515751|12.664939|14.156530|36.858105| |1.650220|1.844807|2.025115|2.278122|2.297482|2.048927|1.856481|18.304735|3.378479|3.910417|5.456572|8.741043|4.600746|4.832169|7.679569|7.843138|4.076596|4.750102|7.893627|0.215379|13.657055|0.260517|7.740375|0.178366|5.306163|0.130348|9.796088|3.940138|5.744305|2.696288|4.581836|2.336421|12.602729|5.114210|7.661031|4.307332|73.516695| |1.705444|1.893730|2.071162|2.296534|2.294501|2.065208|1.893933|17.678766|3.240255|3.547989|4.734457|8.211168|4.730671|4.837025|8.498592|6.197587|3.425173|4.200775|5.326885|0.141834|8.178779|0.219092|5.799331|0.156221|4.182973|0.109715|7.310593|3.268591|4.902021|2.348580|4.013465|2.070787|9.324233|4.330379|6.929678|3.726652|25.282082|36.858105| |1.678557|1.854922|1.996299|2.191983|2.219299|2.034824|1.872371|16.954799|3.042925|3.303656|4.232897|6.954760|4.213392|4.495193|7.549351|5.607402|3.211562|3.971504|4.641655|0.117292|7.178036|0.223430|5.754995|0.173783|4.148541|0.113605|6.804674|3.259227|4.903282|2.344730|3.998267|2.070492|8.635408|4.230104|7.207661|3.504180|15.303575|16.017949|73.516695| |1.767390|1.949085|2.162615|2.373387|2.299463|2.052470|1.909148|17.211800|3.122256|3.254274|4.160980|7.514125|4.840356|4.856702|9.652715|5.156541|2.979097|3.789325|4.181285|0.119511|5.279940|0.141145|4.087224|0.109257|3.231327|0.085004|5.880001|2.664235|4.115201|2.024218|3.487826|1.815601|7.110929|3.474857|5.557878|3.239289|14.373828|12.733270|14.146932|36.858105| |17.533285|8.827162|6.787272|4.616725|3.952396|4.263756|5.812972|20.650852|2.577615|2.169051|1.998424|2.795504|2.388146|3.734568|4.311128|2.395089|1.757618|2.664232|1.584642|0.043599|1.554491|0.045301|1.388716|0.037690|1.375091|0.039220|2.576544|1.246009|2.199125|1.147670|1.931526|1.139446|2.325665|1.210397|2.087395|1.155063|2.797662|1.617212|2.811701|1.685311|0.500000| |17.563363|8.831535|5.567562|4.164901|3.947542|4.735142|7.226114|20.642278|2.551608|2.159007|1.980643|2.750710|2.329217|3.648334|4.161744|2.384619|1.757944|2.668911|1.571734|0.042714|1.552876|0.045738|1.394569|0.038118|1.386011|0.039919|2.572062|1.255448|2.224773|1.159601|1.945458|1.155366|2.313770|1.207096|2.097189|1.142810|2.762775|1.604090|2.827926|1.646224|0.301585|0.500000| |17.532354|8.838445|6.631879|4.570791|3.963182|4.322859|5.939340|20.601250|2.686043|2.246619|2.102228|2.997161|2.601660|4.017431|4.800886|2.494512|1.802238|2.713796|1.653461|0.045174|1.650168|0.048590|1.467530|0.040125|1.438435|0.041204|2.670618|1.294317|2.268922|1.177683|1.982667|1.162021|2.442251|1.272309|2.202234|1.207555|2.981890|1.752668|3.074546|1.831666|0.302279|0.301723|0.500000| |7.016042|8.897942|17.686988|8.975688|5.648307|4.974245|5.668888|27.567521|3.597103|2.857314|2.629303|3.768248|3.417833|5.562825|6.249652|3.025647|2.178778|3.342251|1.972097|0.054765|1.921337|0.055913|1.668223|0.044761|1.636385|0.046349|3.117974|1.456270|2.543966|1.311899|2.202488|1.288674|2.789383|1.429468|2.435675|1.362645|3.510114|2.028337|3.453044|2.156147|0.195058|0.140585|0.186508|0.500000| |4.095368|5.624646|8.944135|17.788130|8.917167|5.666655|4.966431|46.015125|6.137913|4.335920|3.772638|5.289367|5.044226|9.630452|8.360293|4.111504|2.972880|4.761868|2.561602|0.071348|2.411676|0.070118|2.029319|0.053395|2.010593|0.056839|3.943996|1.753344|3.066013|1.559143|2.590982|1.527582|3.357070|1.680663|2.830461|1.588251|4.364642|2.454907|4.088628|2.574615|0.109018|0.095948|0.107662|0.216751|0.500000| |4.085894|5.634894|4.977117|5.658591|8.942477|17.723670|8.911759|47.835563|4.606694|3.696441|3.039396|3.910313|3.256809|5.707170|5.218234|3.589195|2.791733|4.597339|2.208785|0.058198|2.108804|0.063607|1.858289|0.050147|1.913688|0.056567|3.611605|1.693560|3.067129|1.566307|2.560570|1.582058|2.979007|1.516246|2.631867|1.399500|3.575843|2.015978|3.563948|1.970082|0.098630|0.112800|0.100302|0.107895|0.124440|0.500000| |6.970569|8.921035|5.661893|4.958654|5.639660|8.927862|17.688667|27.896745|3.188889|2.644006|2.335082|3.153666|2.659852|4.362656|4.550762|2.793466|2.101314|3.279015|1.794026|0.048028|1.754092|0.052333|1.566686|0.042723|1.580503|0.046129|2.941617|1.419655|2.541687|1.314854|2.181604|1.319754|2.557158|1.322278|2.302349|1.236166|3.053205|1.755433|3.112561|1.758981|0.149414|0.221084|0.154259|0.124220|0.107716|0.216068|0.500000| |1.687415|1.944582|2.090561|2.454212|2.707224|2.418303|2.065204|25.291822|4.206364|6.037715|5.915970|5.827527|3.492033|4.746021|5.131655|12.120993|17.817972|12.420516|6.756467|0.157852|4.633919|0.126205|4.139492|0.098165|5.378820|0.154076|13.344024|4.378994|8.522162|3.833941|5.704385|3.741978|6.289588|2.895351|4.803562|2.536345|6.547437|3.083334|5.200416|2.677187|0.044821|0.044922|0.045697|0.054250|0.071504|0.069467|0.053278|0.500000| |1.260665|1.390332|1.475723|1.637120|1.710406|1.584215|1.435031|14.021954|2.282747|2.717360|3.092696|3.875454|2.363706|2.951588|3.848411|5.323148|3.635326|3.981388|5.097515|0.131921|4.749071|0.112213|6.567532|0.149820|8.896664|0.175074|13.232581|17.668759|16.509920|7.366557|13.212039|4.781138|12.601263|6.185424|9.855471|4.933108|6.915612|3.172740|5.467757|2.644631|0.033738|0.033746|0.034885|0.039552|0.047589|0.044706|0.037805|0.112992|0.500000| |1.248161|1.371552|1.440152|1.585833|1.668849|1.567554|1.424630|13.519174|2.188902|2.566387|2.899706|3.686508|2.277528|2.849008|3.735641|4.825896|3.293223|3.710395|4.340159|0.106208|4.550237|0.115609|6.812862|0.183767|8.867856|0.208926|10.207982|17.621109|16.497742|7.064541|12.301052|4.688984|10.979797|6.075924|11.868228|4.392665|6.480048|3.147220|5.743183|2.562287|0.033205|0.033592|0.034650|0.038453|0.045551|0.044548|0.037795|0.099802|0.300533|0.500000| |1.227662|1.358555|1.416347|1.573339|1.692498|1.599194|1.433598|14.208802|2.140951|2.527386|2.562239|3.048262|1.967540|2.638463|3.151661|4.231912|3.489319|4.058316|3.222319|0.082969|2.797879|0.074599|3.073769|0.078397|4.045394|0.112219|7.353713|4.819740|12.983407|8.948899|10.994308|17.577367|5.123297|2.647824|4.630221|2.372244|4.219012|2.085976|3.665998|1.840784|0.032924|0.033278|0.033401|0.037419|0.044857|0.046258|0.038191|0.119765|0.126606|0.115577|0.500000| |1.110256|1.215401|1.259824|1.381376|1.473166|1.405599|1.276851|12.059024|1.808006|2.077982|2.128434|2.610012|1.706129|2.272612|2.781697|3.405788|2.684696|3.209856|2.644967|0.069024|2.417243|0.064560|2.728523|0.071750|3.401427|0.093742|5.819390|4.265063|10.418638|8.956194|13.281391|17.638885|4.668921|2.526683|4.529103|2.292606|3.730024|1.877844|3.335334|1.666700|0.029817|0.030195|0.030324|0.033467|0.039248|0.040549|0.034237|0.086936|0.114107|0.111420|0.298300|0.500000| |1.202212|1.324374|1.367647|1.507289|1.627974|1.559085|1.404312|13.462564|2.027835|2.359412|2.405461|2.907322|1.888354|2.524486|3.047343|3.892953|3.114946|3.694288|2.956040|0.074360|2.715645|0.074293|3.062315|0.081353|3.984452|0.117250|6.584175|4.810176|13.038442|8.937994|10.951795|17.577355|4.963611|2.632819|4.789547|2.303681|4.065846|2.054458|3.699966|1.793433|0.032077|0.032753|0.032821|0.036062|0.042578|0.045379|0.037684|0.102025|0.117112|0.125455|0.302602|0.298286|0.500000| |1.230764|1.333653|1.433542|1.556627|1.558688|1.434975|1.335635|12.092228|2.005672|2.226863|2.629794|3.746255|2.357226|2.785201|4.127042|3.934436|2.474485|2.951659|3.670116|0.108460|4.204517|0.097422|4.855436|0.126023|3.799631|0.089171|6.410554|3.694566|5.187292|2.661825|4.971706|2.215253|13.000947|8.961806|11.005841|17.579736|8.422392|4.143956|6.691917|3.706195|0.033107|0.032598|0.034693|0.039399|0.045897|0.039425|0.035027|0.068459|0.114523|0.102610|0.060409|0.057611|0.058333|0.500000| |1.126879|1.214823|1.291295|1.393567|1.407583|1.312079|1.224556|10.904631|1.770104|1.961127|2.254051|3.135421|2.005692|2.428034|3.491465|3.400835|2.214390|2.651940|3.072811|0.087189|3.442482|0.083321|4.247736|0.116648|3.558794|0.084966|5.711449|3.777830|5.304978|2.816289|5.477890|2.304945|10.420250|8.960031|13.291497|17.641071|6.315172|3.221628|5.543585|2.855624|0.030304|0.030054|0.031696|0.035362|0.040652|0.036329|0.032364|0.062551|0.117472|0.111437|0.061366|0.060808|0.060560|0.298088|0.500000| |1.178654|1.280534|1.371341|1.495802|1.512595|1.395471|1.291668|11.910170|1.947038|2.197506|2.545474|3.475027|2.180301|2.640381|3.730911|3.952275|2.563925|3.007073|3.720794|0.109916|3.917739|0.090621|4.787297|0.119026|4.166325|0.094496|7.073467|4.463709|6.138534|3.227045|6.256843|2.594242|13.075483|8.943109|10.958794|17.577105|7.094640|3.360482|5.535227|2.975689|0.031771|0.031335|0.032982|0.037490|0.043982|0.038608|0.033952|0.073239|0.152116|0.121587|0.070355|0.067768|0.066567|0.302478|0.298279|0.500000| |1.960912|2.186874|2.464784|2.733757|2.615358|2.296390|2.127072|19.410245|3.630104|3.671025|4.722220|9.312889|6.378291|5.923478|13.861259|5.453668|3.148278|4.108943|4.148656|0.118064|4.925938|0.137549|3.699581|0.097920|3.069497|0.082260|5.727580|2.518536|3.978170|1.956082|3.336896|1.779399|6.240296|3.025712|4.899557|2.814296|12.117608|9.132818|11.684611|17.520009|0.051753|0.050281|0.056579|0.068297|0.083405|0.060543|0.053841|0.076843|0.068981|0.066613|0.050521|0.045296|0.049000|0.087180|0.069467|0.073478|0.500000| |1.720659|1.872675|2.056389|2.213810|2.137703|1.937711|1.827262|15.665852|2.758516|2.818796|3.453737|5.968816|4.088448|4.289431|8.390262|4.319801|2.585271|3.328664|3.446240|0.096914|4.302819|0.118608|3.580188|0.099559|2.862813|0.076304|5.075799|2.420691|3.762004|1.871804|3.246644|1.685825|6.264348|3.211724|5.275660|3.025984|10.468760|8.986807|13.075357|17.614144|0.045532|0.044650|0.049938|0.057269|0.065875|0.051674|0.047098|0.065391|0.066516|0.065855|0.047154|0.043268|0.046460|0.096008|0.076038|0.076205|0.298373|0.500000| 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