Version2.4 2021-05-28T16:53:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c2c(=O)[nH]c(nc2o1)CSc3nc4c(c5c(s4)CCC5)c(=O)n3CCOC)C(=O)[O-] C13404824 RHF 6-31G(d) (6D,7F) Cc1c(c2c(=O)[nH]c(nc2o1)CSc3nc4c(c5c(s4)CCC5)c(=O)n3CCOC)C(=O)[O-] C01[X(C21H23N4O6S2)] 162 C1 549 COCCn1c(SCc2[nH]c(=O)c3c(n2)oc(c3C(=O)[O-])C)nc2c(c1=O)c1CCCc1s2 COCCn1c(SCc2[nH]c(=O)c3c(n2)oc(c3C(=O)[O-])C)nc2c(c1=O)c1CCCc1s2 COCCN1C(Nc2sc3CCCc3c2C1=O)SCC4NC(=O)c5c(N4)oc(C)c5C([O-])=O InChIKey=IGXJXNDZWQXIEE-UHFFFAOYSA-M InChI=1S/C21H24N4O6S2/c1-9-13(20(28)29)15-16(26)22-12(23-17(15)31-9)8-32-21-24-18-14(10-4-3-5-11(10)33-18)19(27)25(21)6-7-30-2/h12,21,23-24H,3-8H2,1-2H3,(H,22,26)(H,28,29)/p-1 InChI=1/C21H24N4O6S2/c1-9-13(20(28)29)15-16(26)22-12(23-17(15)31-9)8-32-21-24-18-14(10-4-3-5-11(10)33-18)19(27)25(21)6-7-30-2/h12,21,23-24H,3-8H2,1-2H3,(H,22,26)(H,28,29)/p-1/fC21H23N4O6S2/h22H/q-1 Cc1c(c2c(=O)[nH]c(nc2o1)CSc3nc4c(c5c(s4)CCC5)c(=O)n3CCOC)C(=O)[O-] C01[X(C21H23N4O6S2)] 162 C01 549 COCCn1c(SCc2[nH]c(=O)c3c(n2)oc(c3C(=O)[O-])C)nc2c(c1=O)c1CCCc1s2 COCCN1[C@@H](SC[C@H]2NC(=O)[C]3[C](N2)OC(=[C]3[C]([O])[O])C)N[C]2[C]([C]3=C(S2)CCC3)C1=O COCCN1[C@H](N[C]2SC3=C(CCC3)[C]2C1=O)SC[C@@H]4N[C]5OC(=C([C]([O])[O])[C]5C(=O)N4)C InChIKey=OBEKMEWTQBPVAV-QKVFXAPYSA-N InChI=1S/C21H23N4O6S2/c1-9-13(20(28)29)15-16(26)22-12(23-17(15)31-9)8-32-21-24-18-14(10-4-3-5-11(10)33-18)19(27)25(21)6-7-30-2/h12,21,23-24H,3-8H2,1-2H3,(H,22,26)/t12-,21-/m0/s1 InChI=1/C21H23N4O6S2/c1-9-13(20(28)29)15-16(26)22-12(23-17(15)31-9)8-32-21-24-18-14(10-4-3-5-11(10)33-18)19(27)25(21)6-7-30-2/h12,21,23-24H,3-8H2,1-2H3,(H,22,26)/t12-,21-/m0/s1/f/h22H 3981.5318099622 -2270.6247728 1-A 17068.7232 129 420 549 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1630.8870 1631.1364 1638.7662 1640.6738 1642.7586 1645.8042 1650.4784 1654.8994 1661.4618 1663.6178 1666.5456 1682.7303 1709.2065 1790.2973 1798.4078 1820.2332 1909.1181 1921.4530 1978.7704 3162.5101 3176.1731 3182.3602 3191.9622 3196.7806 3211.8872 3214.7818 3219.1708 3221.3271 3224.9379 3233.9415 3253.5897 3258.0131 3264.7438 3283.6481 3286.1715 3338.4788 3345.8860 3353.3105 3360.6923 3760.0503 3850.9434 3864.5625 7.0276 5.9362 6.0217 6.6161 6.9358 5.8685 8.3300 5.9410 5.9268 5.1567 4.2842 6.9273 3.9348 2.9374 3.6128 9.7894 3.8823 3.5707 3.7925 2.4407 1.3381 3.9652 4.1346 2.4443 4.2514 2.1747 2.9537 2.5234 5.2931 4.3022 2.5073 7.6615 3.7585 4.9459 4.0105 5.4873 4.3947 1.7305 5.7231 3.7459 3.8381 3.8832 3.4713 2.8747 6.0325 3.0313 5.3261 3.1258 4.5974 4.5398 3.3515 4.7668 5.9156 4.6918 7.0197 2.3431 5.7055 5.7782 4.9027 5.1175 4.8871 7.3862 8.4585 7.4250 9.6928 2.3846 6.5925 2.8681 2.4966 4.2560 1.5108 1.7956 3.3236 2.9897 4.0597 3.0889 2.2647 3.0786 3.5198 3.2764 2.8265 1.7127 1.5192 3.0861 2.6282 2.1621 2.9131 2.9520 3.3243 2.3396 1.4708 1.3096 4.0031 1.9910 3.1127 1.3151 1.2573 1.1847 2.1754 1.3920 1.6463 2.8878 1.4007 1.3382 1.5686 4.0745 1.6430 1.4121 1.5434 2.3453 1.8809 1.8995 1.4646 1.3358 2.5114 2.3058 1.5055 1.5867 1.4299 1.3166 1.0982 1.1473 1.0519 1.1493 1.1541 1.1061 1.1037 2.2729 2.1201 1.1344 1.0839 1.0904 7.4615 8.7421 8.2114 9.4294 12.3911 12.0754 9.5745 1.0665 1.0538 1.0423 1.0656 1.0622 1.0739 1.0706 1.0841 1.1018 1.0876 1.0803 1.1042 1.0937 1.1018 1.0839 1.0977 1.1107 1.0964 1.0924 1.0903 1.0757 1.0771 1.0776 0.0005 0.0006 0.0031 0.0060 0.0114 0.0137 0.0225 0.0187 0.0270 0.0274 0.0271 0.0542 0.0381 0.0316 0.0472 0.1367 0.0596 0.0620 0.0666 0.0489 0.0272 0.0970 0.1394 0.0871 0.1658 0.0882 0.1211 0.1351 0.3090 0.2762 0.1668 0.5883 0.2927 0.3985 0.3922 0.5438 0.4484 0.2085 0.7049 0.5017 0.5998 0.6506 0.6229 0.5279 1.1582 0.6047 1.1983 0.7055 1.0721 1.0979 0.8722 1.2918 1.6708 1.3703 2.1477 0.7375 1.9076 2.0181 1.8920 2.0640 2.0794 3.1952 3.7827 3.3491 4.5741 1.1382 3.3473 1.4662 1.3721 2.3689 0.8652 1.0551 1.9992 1.8792 2.6844 2.0845 1.5741 2.1808 2.6435 2.5563 2.2310 1.3644 1.2526 2.5451 2.1880 1.8428 2.5118 2.6921 3.0973 2.1947 1.4065 1.3014 3.9968 2.0249 3.2762 1.3950 1.3367 1.2778 2.4331 1.5960 1.8971 3.3317 1.6847 1.6296 1.9484 5.1221 2.0853 1.8167 1.9951 3.1484 2.5538 2.6224 2.0453 1.8978 3.5974 3.3915 2.2240 2.4346 2.2013 2.0453 1.7210 1.7985 1.6644 1.8227 1.8350 1.7652 1.7715 3.6676 3.4482 1.8498 1.7737 1.8191 12.8430 16.5087 15.6475 18.4072 26.6088 26.2671 22.0881 6.2845 6.2634 6.2192 6.3970 6.3954 6.5276 6.5190 6.6190 6.7361 6.6646 6.6564 6.8868 6.8400 6.9193 6.8856 6.9841 7.2935 7.2320 7.2376 7.2551 8.9602 9.4115 9.4825 4.8721 5.4466 2.1400 2.7641 1.5323 2.7757 0.3244 0.9960 5.4830 1.9454 0.8588 1.3768 0.1128 1.5599 0.4921 6.6363 1.1688 3.9876 7.6614 10.2301 2.0679 1.5353 2.6697 1.0978 4.9342 15.4917 8.1303 2.5239 4.8649 3.2365 7.0680 5.3197 13.7634 5.8736 8.6879 2.2041 3.5403 108.1851 24.7974 15.9469 18.2327 26.8687 47.5295 28.3027 8.7672 65.7331 21.5683 21.7943 13.7725 4.8394 34.3272 8.7992 5.7941 20.8182 2.8570 1.6354 13.7076 21.5617 43.9884 56.7102 45.7326 51.6435 101.4965 59.1293 29.9651 3.2956 35.7201 24.6504 2.3870 2.9243 0.4691 7.5336 18.8832 25.4915 37.7749 16.9182 9.8146 19.8920 23.1113 53.7460 49.2874 2.1856 3.8776 75.1096 25.9177 12.4498 47.3046 15.6682 148.6562 20.3665 2.9631 33.8803 27.9573 95.4131 42.7252 3.2311 1.0607 16.7152 30.9904 53.1526 183.7046 30.5397 41.9866 48.9708 23.1341 23.0983 21.2414 41.9790 8.1366 175.0004 150.0673 169.4749 5.1625 12.6387 65.3397 39.9422 8.0112 62.5721 93.1107 2.1234 0.5287 0.6029 5.7946 18.5118 7.9507 0.3347 27.8546 197.7054 404.0171 0.9063 10.9774 6.1389 163.0254 102.8089 11.4532 6.3644 731.1016 532.8697 649.0640 31.8243 175.6737 81.2881 67.6599 11.9850 54.0786 32.2691 23.2837 55.2530 85.0048 91.6758 33.2592 39.4432 53.1142 42.1893 34.2631 22.1535 0.2037 4.7126 1.9008 10.4701 23.0902 28.5450 1.0848 0.5523 0.8174 3.0345 1.7270 0.5127 0.8039 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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 1.00783 1.00783 1.00783 1.00783 9508.5493 25592.7493 26693.6785 0.99993 -0.00790 0.00863 0.00836 0.99846 -0.05487 -0.00818 0.05494 0.99846 1 0.00911 0.00338 0.00324 0.18980 0.07052 0.06761 15.99 19.33 42.35 56.48 75.92 90.59 97.37 105.17 126.41 136.60 149.09 165.78 184.40 194.53 214.33 221.52 232.28 246.91 248.38 265.43 267.15 293.10 344.15 353.85 370.13 377.39 379.50 433.74 452.88 474.95 483.48 519.42 523.05 532.03 586.19 590.09 598.73 650.70 657.83 686.00 740.96 767.26 794.03 803.27 821.31 837.16 889.10 890.53 905.18 921.79 956.19 975.77 996.17 1012.99 1036.80 1051.60 1083.85 1107.76 1164.43 1190.40 1222.67 1232.85 1253.49 1258.87 1287.64 1295.02 1335.63 1340.21 1389.59 1398.42 1418.46 1436.87 1453.75 1486.07 1524.21 1539.81 1562.75 1577.60 1624.43 1655.66 1665.30 1672.98 1702.04 1702.21 1710.28 1730.49 1740.55 1790.01 1809.29 1815.47 1832.97 1868.53 1872.94 1890.32 1923.03 1930.46 1932.73 1946.68 1982.36 2007.08 2012.13 2013.36 2055.65 2068.41 2089.03 2101.63 2111.70 2126.06 2131.10 2171.75 2184.11 2202.45 2215.07 2234.21 2243.38 2273.30 2278.23 2321.87 2325.69 2336.23 2346.48 2346.84 2357.82 2360.56 2363.56 2367.95 2374.67 2381.03 2390.47 2393.57 2397.79 2421.07 2459.17 2575.84 2587.51 2618.91 2746.80 2764.54 2847.01 4550.15 4569.80 4578.71 4592.52 4599.45 4621.19 4625.35 4631.67 4634.77 4639.97 4652.92 4681.19 4687.55 4697.24 4724.44 4728.07 4803.33 4813.98 4824.67 4835.29 5409.87 5540.65 5560.24 0.470001 0.499396 0.500340 0.406668 -2270.154771 -2270.125377 -2270.124432 -2270.218105 3.141808D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE Cc1c(c2c(=O)[nH]c(nc2o1)CSc3nc4c(c5c(s4)CCC5)c(=O)n3CCOC)C(=O)[O-] C13404824 RHF 6-31G(d) (6D,10F) C1 491.105903 |X|Y|Z| 55.555660 49.721523 107.283335 66.670698 23 6 7 8 16 16 4 1 2 |36.858105| |12.809641|36.858105| |7.324916|14.218980|36.858105| |5.152370|8.595192|13.076211|36.858105| |3.709593|5.197028|7.042239|12.994310|36.858105| |3.277257|4.310178|5.867153|7.945915|15.921262|73.516695| |3.194158|4.249880|5.005340|8.045231|13.735296|15.161650|53.358707| |2.754709|3.508679|4.096682|5.844255|9.492299|14.202360|26.039691|0.500000| |3.237219|4.239991|4.525375|6.779698|7.552205|9.452896|17.970743|0.251249|36.858105| |4.007251|5.458771|5.287747|7.744575|6.544185|8.277732|10.806932|0.160626|13.107867|53.358707| |5.381982|8.802839|8.529060|14.192179|7.903918|9.586771|9.836253|0.145725|8.047927|18.633685|36.858105| |7.840744|13.719322|8.475703|8.619711|5.345569|7.397035|6.562215|0.107001|5.317863|11.082489|14.452251|73.516695| |2.941384|3.684862|3.884198|5.215988|5.555913|7.707368|10.339967|0.182291|12.357009|10.438542|5.825041|7.857578|36.858105| |3.322240|4.147280|4.383988|5.425681|5.135757|7.351870|7.535510|0.132486|6.661501|8.070091|5.704526|8.359078|10.463402|388.023441| |2.567691|3.012857|3.216146|3.724864|3.825949|6.029846|5.620872|0.109582|4.533484|5.283483|3.709206|5.750774|6.761670|73.302945|36.858105| |2.259513|2.589356|2.684784|3.085733|3.172496|5.041829|4.837089|0.096309|4.070089|4.772986|3.193776|5.045644|6.059502|48.790356|13.139206|53.358707| |2.240775|2.504698|2.518520|2.809196|2.772997|4.401457|4.132794|0.080750|3.532648|4.430007|2.984441|4.904530|4.898132|41.142124|8.054773|18.899723|36.858105| |2.337155|2.562093|2.550982|2.749294|2.636914|4.214406|3.778099|0.072915|3.148312|4.118556|2.895444|4.910132|4.109288|38.385646|6.942475|10.876459|14.091079|36.858105| |2.180592|2.323849|2.261531|2.391217|2.266856|3.645664|3.234877|0.062479|2.698995|3.641421|2.555929|4.460841|3.339094|28.798587|4.583134|7.176017|8.257076|13.229615|36.858105| |2.020622|2.156703|2.091021|2.239904|2.147396|3.450769|3.126849|0.060831|2.647733|3.554027|2.425913|4.207946|3.259942|25.887842|4.033788|6.783378|7.729588|8.212239|14.281777|36.858105| |2.006686|2.199990|2.168114|2.401018|2.365373|3.775894|3.566530|0.070200|3.088007|3.966596|2.607411|4.363789|3.997300|29.293151|4.766050|9.381560|10.943712|7.361365|7.408759|10.887922|388.023441| |1.866720|1.949531|1.868124|1.968788|1.875544|3.038173|2.704872|0.052691|2.264549|3.102591|2.136052|3.780110|2.663637|20.634098|3.073946|4.875767|4.806082|5.165348|7.989863|12.692277|45.385078|36.858105| |1.874769|1.928045|1.846421|1.906752|1.800580|2.939130|2.543523|0.049434|2.087722|2.884057|2.040662|3.660845|2.422447|19.522871|2.914592|4.388943|4.185175|4.997211|8.003595|8.096861|33.112384|12.248895|36.858105| |2.117308|2.190907|2.105531|2.164197|2.024274|3.288477|2.829796|0.054567|2.317430|3.202676|2.301519|4.128775|2.735173|23.400400|3.526159|5.131999|5.024630|7.000370|12.665426|8.121185|34.306655|7.615920|12.268482|36.858105| |2.454980|2.699411|2.751192|2.909367|2.788353|4.516656|3.859062|0.074458|3.082073|4.015255|2.947268|4.992184|3.923928|40.143771|7.767383|9.223789|7.810474|12.957495|7.269323|5.103824|34.007605|3.811620|3.970872|5.555111|36.858105| |2.374837|2.540528|2.573017|2.631341|2.495096|4.108120|3.376904|0.065296|2.643011|3.518103|2.639229|4.584625|3.196278|31.106353|5.340213|6.490069|5.403685|8.125535|6.325046|4.440614|27.624069|3.575884|3.997605|5.785465|15.818948|73.516695| |2.534989|2.880605|3.049463|3.316337|3.280176|5.323722|4.535928|0.088119|3.532017|4.404923|3.250233|5.294404|4.637386|50.660887|13.202142|10.930615|7.000152|7.961979|5.043608|4.064044|30.393136|3.132896|3.136080|4.002816|13.866865|14.926309|53.358707| |2.429706|2.737069|2.984438|3.152667|3.177373|5.379080|4.216356|0.083306|3.096271|3.867702|2.950032|4.831534|3.774432|37.483675|7.574872|7.192728|4.613597|5.094962|3.779450|3.153412|23.124665|2.577408|2.639156|3.267921|7.787922|12.242316|17.710728|36.858105| |2.713371|3.130289|3.588440|3.748226|3.818226|6.616600|4.782224|0.093765|3.327270|4.155083|3.306937|5.336957|3.847628|37.944125|6.147381|5.805543|3.687914|3.907958|3.074607|2.652927|19.634852|2.231406|2.268096|2.737606|5.238014|8.589605|10.226749|12.532872|36.858105| |2.581671|3.055812|3.599796|3.992942|4.442268|7.932235|5.639460|0.114578|3.728358|4.403575|3.433541|5.305536|4.285970|38.358819|6.253457|5.947129|3.552130|3.514951|2.788632|2.495437|19.265004|2.099761|2.081989|2.441708|4.310222|6.787068|8.368958|8.009502|13.665557|73.516695| |2.687248|3.218335|3.989115|4.362770|5.093419|10.020294|5.937667|0.121592|3.644352|4.358852|3.520579|5.406166|3.831997|31.747194|4.485651|4.648401|2.884640|2.853457|2.361574|2.149004|16.456035|1.851809|1.836756|2.117740|3.351355|5.464991|5.886911|5.189386|8.133181|23.981115|36.858105| |5.826443|7.439366|12.372115|7.034243|5.442569|9.526050|5.393213|0.096448|3.485752|5.118463|5.101262|9.079869|3.162145|25.835831|2.909446|3.295967|2.268878|2.330964|2.072603|1.900436|13.849866|1.709488|1.715235|1.958133|2.581362|4.404492|3.905551|2.959661|3.696053|6.470750|4.260511|36.858105| |6.102464|6.491529|8.121289|5.161176|4.172154|7.411568|4.415334|0.080564|2.931842|4.370625|4.183122|7.929779|2.666949|21.302223|2.470986|2.875220|2.011421|2.077395|1.885422|1.738038|12.521362|1.587291|1.601704|1.810748|2.275414|3.945737|3.355874|2.539754|3.059831|5.293881|3.405421|15.483227|73.516695| |4.402277|5.447081|8.170431|6.282175|5.564572|10.380388|5.492058|0.100774|3.459748|4.794536|4.520187|7.562155|3.253336|27.265513|3.183181|3.514652|2.375624|2.441569|2.132484|1.940046|14.222460|1.727509|1.737582|1.998107|2.772399|4.725094|4.321406|3.408382|4.541155|8.004082|5.645363|15.506279|15.174934|73.516695| |17.513374|8.912796|5.804151|4.490367|3.341325|5.233437|4.044969|0.071705|3.103552|5.201480|4.871814|12.401595|2.927143|24.240425|2.642069|3.181217|2.364361|2.511068|2.370084|2.175613|15.063995|2.018573|2.046836|2.332210|2.629714|4.562440|3.609855|2.507038|2.739139|4.531305|2.583038|4.819607|8.658708|6.980796|0.500000| |17.509697|8.936677|5.779557|4.490202|3.374662|5.340991|4.059808|0.072062|3.046086|5.186672|4.873627|12.448665|2.719377|20.912681|2.313266|2.829359|2.068020|2.133117|2.016605|1.897576|13.447855|1.773052|1.767989|1.962897|2.200491|3.777764|3.074863|2.156112|2.372372|4.076008|2.386978|4.691724|8.980055|6.514026|0.301370|0.500000| |17.655377|9.112884|6.928705|4.652389|3.500335|5.714298|4.019075|0.071993|2.900016|4.658211|4.477627|10.195592|2.665205|21.533459|2.420171|2.882665|2.087616|2.188371|2.037671|1.878936|13.233031|1.739689|1.763009|1.992328|2.337453|4.074788|3.302891|2.386075|2.707018|4.549293|2.712392|6.640678|14.171293|8.556255|0.298134|0.299759|0.500000| |2.586869|3.173963|3.434440|4.488112|5.203731|7.690627|9.819186|0.199677|8.954904|7.659541|4.627527|6.446034|17.526556|56.412900|7.001888|8.761126|4.754024|3.884406|3.132200|3.076583|27.458055|2.514202|2.289431|2.562562|3.769235|5.466336|6.279225|3.863973|3.914167|8.211701|4.060459|2.925965|4.407317|5.487871|0.071055|0.066747|0.066511|0.500000| |2.754037|3.332518|3.363149|4.269198|4.341009|6.264668|7.660350|0.140602|8.933233|9.386241|5.008071|7.242114|17.565468|56.303029|5.887484|8.336348|5.316269|4.270973|3.574880|3.630611|33.146493|2.945271|2.596678|2.879166|3.808061|5.517906|5.755895|3.373576|3.301951|6.302891|3.170270|2.766101|4.258035|4.974128|0.077335|0.071872|0.068790|0.300679|0.500000| |1.693534|1.768747|1.706915|1.802559|1.737787|2.837500|2.515168|0.049471|2.087409|2.828800|1.941428|3.414080|2.433433|18.362712|2.780023|4.455708|4.211335|4.305971|5.934475|8.740453|41.054381|17.543530|8.646434|5.647635|3.312720|5.558501|3.820249|2.359028|2.049508|3.467465|1.728085|1.572253|2.603891|2.831440|0.050399|0.044933|0.044086|0.064878|0.074562|0.500000| |1.926518|2.001421|1.892946|1.993972|1.882313|3.030865|2.721110|0.052673|2.302888|3.212722|2.196037|3.926325|2.666050|20.289806|2.889146|4.498909|4.285066|4.481020|6.287957|8.847763|40.200879|17.511294|8.639931|6.166201|3.415381|5.682682|3.927667|2.391184|2.119361|3.567998|1.792598|1.715044|2.842606|3.048684|0.058093|0.051217|0.049460|0.068856|0.082964|0.302569|0.500000| |1.717463|1.766612|1.709107|1.763052|1.682942|2.773296|2.373260|0.046516|1.923450|2.626273|1.864039|3.322182|2.223054|17.753068|2.722011|4.110562|3.813632|4.458451|6.494415|6.558638|29.876068|8.802194|17.561536|8.796501|3.690682|6.738061|4.021756|2.543538|2.169676|3.548080|1.759578|1.605594|2.671291|2.910047|0.051650|0.045045|0.045256|0.059298|0.065566|0.225743|0.175736|0.500000| |1.859442|1.884369|1.786047|1.825534|1.709958|2.794351|2.400574|0.046512|1.964804|2.754400|1.961281|3.568597|2.233019|17.850812|2.581603|3.796990|3.481953|4.059310|5.813909|5.858712|27.253733|8.644462|17.570277|8.632763|3.396999|6.176104|3.756223|2.372877|2.086442|3.407935|1.715537|1.660667|2.781768|2.964990|0.056732|0.049000|0.048542|0.058274|0.066323|0.189275|0.220075|0.302916|0.500000| |2.332326|2.382383|2.251283|2.283730|2.093895|3.380084|2.898049|0.055271|2.380685|3.367827|2.451081|4.487590|2.766672|24.071170|3.417788|4.778066|4.501450|6.102357|8.904859|6.369846|30.124699|6.170993|8.643549|17.533077|5.204321|9.756151|5.252363|3.183557|2.749024|4.324304|2.136205|2.080914|3.433878|3.733983|0.072647|0.059811|0.060566|0.070672|0.080542|0.129592|0.158420|0.175528|0.219364|0.500000| |2.025796|2.087318|2.028812|2.065475|1.943850|3.193840|2.688108|0.052140|2.159470|2.959689|2.156611|3.860517|2.528439|21.804567|3.379929|4.794249|4.466061|6.214863|8.795960|6.015087|29.059335|5.641557|8.625348|17.602804|5.637333|11.653479|5.457234|3.400072|2.799449|4.364705|2.121510|1.921202|3.166036|3.517914|0.061700|0.051953|0.053638|0.066770|0.072451|0.129577|0.129475|0.224243|0.188431|0.303663|0.500000| |2.159929|2.423152|2.646824|2.827985|2.940013|5.074965|3.973658|0.080570|2.887509|3.536525|2.647581|4.304674|3.503059|31.742509|6.712277|7.021751|4.342705|4.532416|3.454670|2.975685|22.370991|2.446769|2.478167|2.977308|6.196924|9.847325|12.431426|17.532263|8.964687|13.520136|4.954683|2.636770|4.069483|5.381465|0.061348|0.053995|0.059066|0.103584|0.087757|0.063340|0.062672|0.067455|0.061701|0.078959|0.086344|0.500000| |2.367403|2.595798|2.778583|2.841419|2.793534|4.751353|3.669409|0.072117|2.713312|3.490431|2.686420|4.526834|3.217398|31.190417|5.654775|5.994334|4.169387|4.912766|3.818375|3.107762|21.704230|2.588435|2.736229|3.451844|7.828697|15.072138|12.714296|17.690676|8.933480|10.312565|4.287876|2.800172|4.360182|5.658174|0.068701|0.058306|0.065087|0.089612|0.082015|0.065622|0.066296|0.073795|0.068545|0.093580|0.103308|0.301554|0.500000| |2.535330|2.848528|3.256530|3.278832|3.332695|5.968950|4.120513|0.081699|2.835663|3.600505|2.883672|4.756171|3.164946|29.196297|4.602372|4.752895|3.115787|3.332550|2.730105|2.370585|17.246721|2.037107|2.097075|2.503725|4.361353|7.656265|7.594123|8.988481|17.466512|16.602996|7.342161|3.518249|5.308067|7.782524|0.070862|0.061849|0.071672|0.089611|0.077183|0.052381|0.053730|0.056300|0.054017|0.069835|0.072245|0.210801|0.226731|0.500000| |3.195294|3.741011|4.329863|4.391840|4.216196|7.084848|5.096788|0.096412|3.576131|4.620078|3.824006|6.241751|4.053805|42.831941|5.860189|5.548578|3.647143|3.939986|3.136660|2.688329|19.597262|2.273404|2.318747|2.825151|5.210613|8.610839|9.459201|8.782223|17.558292|16.513626|7.270190|4.441594|6.348256|9.777411|0.090016|0.075766|0.088443|0.109208|0.096010|0.057366|0.060677|0.060762|0.059787|0.080784|0.079301|0.174225|0.205404|0.301501|0.500000| |3.142218|3.868066|5.075978|5.406922|6.074078|11.884665|6.437540|0.125192|3.892989|4.815431|4.097071|6.276556|3.937176|33.521902|4.272458|4.429822|2.818863|2.824826|2.360437|2.141232|16.203326|1.855822|1.846079|2.136357|3.299534|5.419024|5.633962|4.736045|7.367757|16.297609|17.614627|5.616157|7.481252|14.610481|0.082674|0.076108|0.088750|0.110617|0.089929|0.047780|0.050331|0.048722|0.048239|0.060752|0.059086|0.118931|0.112675|0.182943|0.220908|0.500000| |2.525855|3.045071|3.756134|4.309261|5.502022|11.498831|6.615670|0.143508|3.858489|4.439088|3.489273|5.233008|3.955897|29.988870|4.224952|4.545729|2.777261|2.671111|2.229083|2.066973|16.141214|1.785235|1.748150|1.985762|3.025802|4.876594|5.229128|4.335689|5.870858|16.799710|17.628990|3.872529|5.594214|8.626592|0.066862|0.063401|0.070169|0.120883|0.090120|0.046585|0.048177|0.046577|0.045376|0.055374|0.054834|0.119842|0.100255|0.147241|0.149012|0.299737|0.500000| |2.466093|2.859463|3.473235|3.615836|4.066781|8.133425|4.801423|0.099064|3.019323|3.705184|2.986411|4.734771|3.150146|25.772646|3.747009|4.046895|2.571940|2.580552|2.174394|1.977556|14.921932|1.724755|1.727743|1.982445|3.042443|5.116980|5.158667|4.733792|7.104360|16.480945|17.487436|3.885610|5.734861|9.142368|0.066000|0.061190|0.070308|0.092216|0.074804|0.044947|0.046248|0.046339|0.044988|0.055420|0.055789|0.129397|0.114113|0.214227|0.170633|0.299197|0.299519|0.500000| |2.830240|3.544582|3.694660|5.082152|5.739115|7.953818|12.705304|0.225353|17.566608|12.669455|5.930374|7.776626|9.094410|36.203705|3.903944|5.085631|3.278052|2.870839|2.516225|2.530614|21.365595|2.189911|1.991768|2.165513|2.747679|4.223943|4.197039|2.719794|2.858150|5.688279|3.132447|2.959612|4.558701|5.204353|0.075588|0.075809|0.070899|0.217716|0.230714|0.056729|0.062191|0.051190|0.052180|0.061289|0.055921|0.071943|0.066925|0.069010|0.083417|0.090693|0.093501|0.073933|0.500000| |3.767209|4.881662|4.596048|6.172382|5.468281|7.375296|8.912228|0.142638|9.269442|25.906322|9.546680|12.626210|5.845491|32.362123|3.262692|4.147319|2.870960|2.669746|2.419996|2.400103|18.970184|2.137440|1.978732|2.157267|2.576918|4.074718|3.780540|2.474240|2.636728|4.962189|2.797752|3.376722|5.299950|5.543366|0.098723|0.103958|0.089418|0.129540|0.157736|0.054596|0.062028|0.050200|0.052928|0.062929|0.055382|0.063690|0.062791|0.064731|0.080266|0.084945|0.079900|0.067400|0.242660|0.500000| |2.434834|2.876216|3.164619|3.713359|4.046227|6.568765|5.963047|0.121090|4.499380|5.015438|3.548844|5.395862|6.355640|56.404789|17.716872|12.584919|5.850045|5.094338|3.689282|3.349405|28.183264|2.653420|2.526098|2.969777|5.771262|7.852359|12.631166|7.502018|6.663967|14.259099|5.341070|2.921700|4.383332|5.815369|0.068319|0.061201|0.064544|0.207261|0.146024|0.068095|0.069607|0.066620|0.062895|0.079961|0.080457|0.206467|0.148326|0.137544|0.162538|0.132829|0.143633|0.120544|0.108596|0.086978|0.500000| 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