Version2.1 2021-01-07T22:49:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)[C@H](CNC(=O)CCSCc2[nH]c(=O)c3c4c(sc3n2)CCC4)[NH+]5CCCC5 C32217618 RHF 6-31G(d) (6D,7F) c1ccc(cc1)[C@H](CNC(=O)CCSCc2[nH]c(=O)c3c4c(sc3n2)CCC4)[NH+]5CCCC5 C01[X(C25H31N4O2S2)] 186 C1 565 O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)CCSCc1[nH]c(=O)c2c(n1)sc1c2CCC1 O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)CCSCc1[nH]c(=O)c2c(n1)sc1c2CCC1 O=C(CCSCC1=Nc2sc3CCCc3c2C(=O)N1)NC[C@H]([NH+]4CCCC4)c5ccccc5 InChIKey=KWHWDWKFVJHRRH-IBGZPJMESA-O InChI=1S/C25H30N4O2S2/c30-22(26-15-19(29-12-4-5-13-29)17-7-2-1-3-8-17)11-14-32-16-21-27-24(31)23-18-9-6-10-20(18)33-25(23)28-21/h1-3,7-8,19H,4-6,9-16H2,(H,26,30)(H,27,28,31)/p+1/t19-/m0/s1 InChI=1/C25H30N4O2S2/c30-22(26-15-19(29-12-4-5-13-29)17-7-2-1-3-8-17)11-14-32-16-21-27-24(31)23-18-9-6-10-20(18)33-25(23)28-21/h1-3,7-8,19H,4-6,9-16H2,(H,26,30)(H,27,28,31)/p+1/t19-/m0/s1/fC25H31N4O2S2/h26-27,29H/q+1 c1ccc(cc1)[C@H](CNC(=O)CCSCc2[nH]c(=O)c3c4c(sc3n2)CCC4)[NH+]5CCCC5 C01[X(C25H31N4O2S2)] 186 C01 565 O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)CCSCc1[nH]c(=O)c2c(n1)sc1c2CCC1 O=C(NC[C@@H]([C]1[CH][CH][CH][CH][CH]1)[NH]1CCCC1)CCSCC1=N[C]2[C]([C]3=C(S2)CCC3)C(=O)N1 O=C(CCSCC1=N[C]2SC3=C(CCC3)[C]2C(=O)N1)NC[C@@H]([C]4[CH][CH][CH][CH][CH]4)[NH]5CCCC5 InChIKey=OHYLVJIMTPNFDT-IBGZPJMESA-N InChI=1S/C25H31N4O2S2/c30-22(26-15-19(29-12-4-5-13-29)17-7-2-1-3-8-17)11-14-32-16-21-27-24(31)23-18-9-6-10-20(18)33-25(23)28-21/h1-3,7-8,19,29H,4-6,9-16H2,(H,26,30)(H,27,28,31)/t19-/m0/s1 InChI=1/C25H31N4O2S2/c30-22(26-15-19(29-12-4-5-13-29)17-7-2-1-3-8-17)11-14-32-16-21-27-24(31)23-18-9-6-10-20(18)33-25(23)28-21/h1-3,7-8,19,29H,4-6,9-16H2,(H,26,30)(H,27,28,31)/t19-/m0/s1/f/h26-27H 3389.5814240216 -2127.1546866 1-A 38618.6786 128 437 565 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1.4904 1.3447 1.7865 1.3502 1.2769 1.3566 1.2146 1.5700 1.3773 3.8582 1.3269 1.2376 1.0935 1.1759 1.9634 1.1047 1.7629 1.0936 1.1053 1.1068 1.0983 1.6407 1.0944 1.1287 2.1009 1.1148 4.8129 1.9187 8.1268 5.0625 5.1129 7.8547 9.1672 9.5197 1.0662 1.0620 1.0693 1.0584 1.0715 1.0728 1.0593 1.1017 1.0925 1.0652 1.1068 1.0953 1.0609 1.1059 1.0662 1.0668 1.1095 1.0959 1.1029 1.1029 1.0895 1.0932 1.0971 1.1057 1.1086 1.0909 1.0951 1.0990 1.0781 1.0792 1.0803 0.0001 0.0003 0.0005 0.0016 0.0030 0.0058 0.0032 0.0079 0.0108 0.0102 0.0191 0.0202 0.0148 0.0276 0.0353 0.0319 0.0259 0.0559 0.1156 0.0876 0.0821 0.1387 0.1310 0.1363 0.1559 0.0772 0.2807 0.2523 0.3584 0.2295 0.4941 0.4558 0.7320 0.5376 0.1362 0.3489 0.3494 1.5531 0.4611 0.6174 1.4680 0.6479 0.9456 0.5065 1.7862 0.8465 1.2415 0.5103 0.4967 1.7034 0.9698 1.1369 0.8529 1.1887 1.4144 0.8097 0.6977 1.2771 0.7440 1.0446 0.8765 4.2690 0.7324 1.4234 1.3160 1.2071 1.2261 2.9109 0.6772 1.3648 1.6460 1.5183 0.9003 4.1941 1.2918 1.0189 1.2354 0.8987 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17.0891 112.7604 2.6981 0.7849 0.7792 0.5186 5.9848 1.0075 12.2079 3.5956 0.5972 1.0623 4.1538 13.4242 1.4380 33.3180 0.2317 23.9992 4.6383 0.8254 7.5200 32.8169 39.2769 46.1944 9.1036 27.3977 4.7985 6.9773 38.2551 2.6174 5.2522 2.8545 2.3780 19.9654 10.7699 0.0332 1.6457 4.7647 2.4242 1.8795 28.7004 1.3326 7.2071 30.8941 2.3998 54.8891 0.8420 5.4175 7.3282 3.7419 0.0280 32.7372 8.4869 10.2293 9.6355 6.0044 4.2890 11.1849 3.1879 0.6498 2.3036 4.8433 15.0381 6.1375 38.0710 0.9813 2.3273 94.9979 2.0781 10.6107 6.6640 0.1210 127.8438 36.0679 13.6655 2.7565 14.9809 1.8274 8.3875 24.0716 35.9803 7.8646 59.2853 0.0193 12.5074 0.1093 9.0916 31.8616 11.9221 22.2460 3.3527 3.7104 2.1316 4.3597 24.5937 62.1362 15.9984 7.4142 35.5552 67.3106 14.0043 9.6261 23.5929 2.9393 8.4007 6.2245 5.2726 5.1820 8.8939 7.1507 1.4024 2.2154 16.7394 6.8009 136.2599 343.8637 64.8801 3.6081 0.8234 499.8781 208.5560 814.7073 47.6184 10.5425 30.4375 18.2606 17.4403 30.7294 20.3262 3.3010 46.6467 13.6866 7.2120 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0.8505 0.5505 0.2470 0.8571 0.2487 0.8571 0.8191 0.2816 0.8478 0.6890 0.7038 0.7216 0.7451 0.8503 0.2098 0.3808 0.4546 0.3353 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 60 61 62 63 64 6 6 6 6 6 6 6 1 6 7 6 8 6 6 16 6 6 7 1 6 8 6 6 6 16 6 7 6 6 6 7 1 6 6 6 6 1 1 1 1 1 1 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 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 31.97207 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 6515.5834 65440.4194 69661.8147 0.99999 -0.00384 0.00005 0.00384 0.99999 -0.00121 -0.00004 0.00121 1.00000 1 0.01329 0.00132 0.00124 0.27699 0.02758 0.02591 7.49 12.49 19.26 33.41 42.60 65.06 65.77 85.52 94.26 97.20 119.08 130.85 138.36 161.59 180.21 182.45 207.48 209.19 250.69 261.71 273.39 299.25 326.29 350.81 356.59 378.67 388.01 443.09 474.95 527.19 532.85 542.50 593.58 611.94 621.23 641.99 655.21 686.37 692.51 769.07 821.30 843.65 870.67 903.87 915.53 918.46 934.41 944.46 950.25 974.86 984.59 1025.75 1036.07 1077.23 1090.36 1107.96 1127.03 1207.46 1222.97 1240.28 1249.54 1260.02 1277.90 1288.70 1294.87 1326.16 1343.97 1351.82 1380.80 1392.29 1415.02 1418.14 1420.40 1441.61 1449.24 1450.79 1499.76 1511.03 1556.11 1560.41 1561.38 1576.67 1592.03 1599.61 1603.61 1604.92 1624.48 1641.64 1651.04 1651.76 1652.38 1674.32 1687.93 1714.95 1734.47 1745.79 1771.02 1814.76 1836.02 1844.65 1877.35 1882.67 1883.56 1886.82 1895.52 1905.17 1911.28 1928.60 1936.08 1941.87 1945.14 1966.47 2020.65 2025.08 2034.28 2044.53 2074.17 2094.76 2114.76 2122.51 2122.59 2136.11 2137.71 2142.70 2153.65 2182.29 2192.38 2218.01 2234.63 2236.16 2242.88 2258.40 2292.39 2322.06 2328.20 2338.04 2345.84 2358.08 2358.47 2359.25 2363.15 2365.66 2367.51 2380.16 2389.69 2406.45 2410.88 2422.60 2436.14 2552.15 2568.85 2599.37 2646.00 2784.22 2844.58 4615.91 4625.40 4629.31 4632.87 4651.86 4652.84 4677.70 4679.67 4681.25 4686.34 4694.57 4706.09 4709.74 4728.94 4730.54 4737.16 4752.88 4758.93 4768.69 4777.05 4794.84 4800.01 4839.33 4839.88 4845.24 4866.30 4881.41 4898.52 5344.96 5530.68 5592.83 0.578449 0.608059 0.609003 0.509734 -2126.576237 -2126.546628 -2126.545684 -2126.644953 3.329499D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE c1ccc(cc1)[C@H](CNC(=O)CCSCc2[nH]c(=O)c3c4c(sc3n2)CCC4)[NH+]5CCCC5 C32217618 RHF 6-31G(d) (6D,10F) C1 483.188845 |X|Y|Z| 186.278261 55.668172 28.626657 66.708307 31 6 7 16 25 4 2 |36.858105| |13.772776|36.858105| |7.937519|13.729517|36.858105| |6.839401|7.904849|13.729776|36.858105| |7.938084|6.881015|7.949436|13.666698|36.858105| |13.722933|7.942948|6.879853|7.901146|13.777725|36.858105| |4.430541|5.024182|7.594394|12.578011|7.506972|5.003215|36.858105| |3.997362|4.811538|7.403166|8.914332|5.579679|4.188681|17.671990|0.500000| |3.727541|3.990406|5.278877|7.457216|6.062920|4.299141|12.342874|0.247557|36.858105| |3.526992|3.901310|5.038910|6.027006|4.867209|3.817960|7.781930|0.207577|13.240186|53.358707| |2.987271|3.385631|4.297355|4.683797|3.766652|3.106204|6.084479|0.191821|7.860309|19.072507|36.858105| |2.770551|3.148595|4.024371|4.396795|3.506376|2.881317|6.127785|0.209388|7.054995|11.641657|15.817668|73.516695| |2.686220|3.030077|3.612749|3.685545|3.111319|2.713959|4.238716|0.130166|5.042983|10.663619|12.582651|14.084671|36.858105| |2.280522|2.570341|3.002230|3.001514|2.564693|2.278611|3.450134|0.108342|3.849015|6.892503|7.534135|12.076063|12.489601|36.858105| |2.036164|2.262827|2.525022|2.471084|2.183803|2.006366|2.685882|0.081561|2.940390|5.039828|4.631511|7.374072|7.018220|10.487646|388.023441| |1.765980|1.954324|2.167959|2.122773|1.886768|1.740232|2.324668|0.070962|2.478599|3.997294|3.617042|6.298050|4.618649|6.953127|74.770069|36.858105| |1.598293|1.751010|1.901568|1.851964|1.673679|1.567638|1.984835|0.059662|2.099947|3.320228|2.862264|4.941285|3.533133|4.603541|49.192116|12.642903|36.858105| |1.458486|1.591174|1.721226|1.679584|1.525269|1.432114|1.801632|0.054063|1.885818|2.909973|2.478765|4.385525|2.914780|3.690642|33.744308|7.858280|13.987031|53.358707| |1.447885|1.582278|1.722361|1.686458|1.525857|1.425553|1.825935|0.055063|1.902882|2.909739|2.498504|4.511568|2.875759|3.693487|31.258522|7.450511|9.273057|25.975305|0.500000| |1.335827|1.446491|1.545748|1.506279|1.382215|1.309454|1.597309|0.047492|1.664249|2.536482|2.110294|3.719281|2.436104|2.931344|26.043548|5.062301|7.782392|18.564772|0.260945|36.858105| |1.250644|1.350362|1.440522|1.406571|1.294574|1.227630|1.492687|0.044312|1.545977|2.324723|1.921873|3.427138|2.167950|2.575243|21.684152|4.080205|5.417989|11.512143|0.218466|15.920043|73.516695| |1.337864|1.442840|1.527941|1.484420|1.370731|1.307759|1.556096|0.045945|1.627216|2.494416|2.046884|3.540703|2.392164|2.794266|25.795931|4.511225|7.004791|11.026680|0.162701|13.153178|14.222209|36.858105| |1.239354|1.327063|1.391432|1.351482|1.259174|1.210373|1.404188|0.041152|1.463481|2.220828|1.791157|3.093506|2.059378|2.329841|20.715880|3.378831|4.611139|6.917020|0.115351|7.302892|10.907743|13.264145|36.858105| |1.255867|1.339744|1.395241|1.352992|1.266897|1.224329|1.394124|0.040644|1.457031|2.219002|1.770998|3.021933|2.047861|2.266611|20.361175|3.123036|4.108614|5.619000|0.095364|5.135604|7.724246|8.263298|14.245123|36.858105| |1.404089|1.503248|1.569057|1.518336|1.416641|1.366872|1.561693|0.045564|1.645466|2.551071|2.042717|3.424854|2.431085|2.681458|25.571817|3.706239|4.939485|5.967937|0.099041|4.815651|6.822668|7.376284|7.392026|10.954273|388.023441| |1.451219|1.568523|1.662048|1.611339|1.484982|1.416453|1.683832|0.049696|1.774260|2.765032|2.273750|3.860652|2.736435|3.188809|31.756683|5.214340|8.532289|9.924986|0.146559|7.876691|9.524022|13.945761|8.195516|7.746279|78.085980|36.858105| |1.599206|1.742541|1.869186|1.813416|1.653475|1.563083|1.912679|0.056893|2.031093|3.228868|2.716500|4.571466|3.397297|4.134231|46.673340|7.858782|14.984115|11.178086|0.165041|6.645225|8.345336|7.816565|5.225443|5.007909|49.877504|13.920809|53.358707| |1.159004|1.228538|1.269684|1.231849|1.161942|1.129630|1.261599|0.036581|1.313038|1.978358|1.559723|2.668470|1.772868|1.926282|16.676090|2.506337|3.106828|4.304620|0.076487|3.826105|6.228465|5.184457|8.005093|12.677901|45.535242|4.809798|4.893700|36.858105| |1.089685|1.154642|1.197389|1.165687|1.099007|1.065250|1.200552|0.034852|1.246314|1.862758|1.473287|2.548401|1.654857|1.813753|15.360090|2.380428|2.932020|4.276761|0.077502|3.965898|6.884584|5.006368|8.013006|8.071478|33.155200|4.179072|4.379312|12.254416|36.858105| |1.133687|1.208893|1.262683|1.228172|1.149504|1.108072|1.273985|0.037231|1.320200|1.978048|1.583328|2.758132|1.784028|1.996478|17.010255|2.754502|3.510863|5.426561|0.097025|5.542967|9.926087|6.989625|12.653300|8.086639|34.260454|4.997256|5.087080|7.617779|12.268281|36.858105| |3.762654|4.042319|5.381993|7.612194|6.097445|4.327736|12.535077|0.256244|7.587053|6.939104|4.447747|8.636492|3.311728|2.879637|16.317280|2.063350|1.782203|2.241725|0.046743|1.471550|2.471352|1.423984|1.292441|1.276795|10.028998|1.520887|2.322643|1.163144|1.115899|1.184060|53.358707| |3.760647|3.818346|4.790869|6.955825|6.600581|4.574423|9.236128|0.182950|7.128998|6.390402|3.951854|7.371464|3.032579|2.623237|15.191660|1.917391|1.673552|2.107903|0.043795|1.392752|2.341678|1.354209|1.235731|1.225006|9.609920|1.446115|2.195869|1.120556|1.074543|1.134708|25.749777|0.500000| |2.907807|3.128842|3.956744|4.902221|4.149977|3.225618|7.442475|0.197716|6.275537|6.258110|4.415101|9.406825|3.276992|2.975874|16.540322|2.145545|1.835774|2.329856|0.049113|1.521003|2.567242|1.454749|1.314144|1.287513|10.048094|1.541930|2.358252|1.169981|1.130417|1.206549|16.963046|0.255845|36.858105| |2.633898|2.833225|3.444405|3.967808|3.459849|2.845570|5.138849|0.144906|4.233655|4.663275|3.393259|7.109124|2.695986|2.544636|14.593258|1.945176|1.687268|2.173338|0.046061|1.430376|2.436826|1.361741|1.236568|1.206786|9.314139|1.428365|2.161176|1.102694|1.071490|1.144773|10.606010|0.178328|12.403028|36.858105| |2.961834|3.138411|3.746188|4.322737|3.881672|3.222530|5.068813|0.135531|3.922127|4.306011|3.011347|5.973349|2.448658|2.272628|13.377639|1.765377|1.552882|1.997155|0.041995|1.326302|2.258693|1.273921|1.165321|1.144016|8.829403|1.338714|2.012065|1.051116|1.018044|1.081313|10.915097|0.195855|7.844267|12.450027|36.858105| |3.827102|4.170918|5.326256|6.471959|5.351666|4.192000|7.476893|0.190955|4.898134|5.222287|3.520339|6.811555|2.798340|2.515936|14.675752|1.890827|1.654341|2.101358|0.043883|1.389991|2.348201|1.343930|1.226315|1.210047|9.431067|1.425712|2.157209|1.108112|1.065738|1.130410|17.178431|0.259916|7.845425|7.997014|12.543454|36.858105| |17.733028|8.921272|5.645180|4.935748|5.648367|8.909190|3.544880|0.090942|3.097807|4.063760|2.589654|4.286680|2.390113|2.062659|13.379829|1.643674|1.505163|1.876516|0.037913|1.272088|2.121214|1.279789|1.193200|1.213322|9.615201|1.385664|2.061480|1.125953|1.057306|1.095097|4.248269|0.087218|2.505750|2.314418|2.592666|3.213416|0.500000| |8.918875|17.732404|8.921888|5.636593|4.957370|5.646164|4.102999|0.114585|3.373736|4.641249|3.087736|5.140462|2.860919|2.483465|15.874015|1.941349|1.754001|2.173249|0.043999|1.457039|2.418375|1.457152|1.343392|1.358020|10.823716|1.583128|2.383763|1.247212|1.170060|1.224678|4.645345|0.088887|2.767518|2.566168|2.810598|3.588836|0.214840|0.500000| |5.651893|8.931126|17.705491|8.904804|5.643845|4.954682|7.053919|0.228937|4.976996|6.845013|4.640431|7.910401|3.919458|3.320463|19.523318|2.366408|2.052868|2.524652|0.051730|1.653128|2.734275|1.624599|1.469277|1.466050|11.734448|1.766979|2.723730|1.326897|1.252697|1.329562|6.908856|0.120019|3.982687|3.518249|3.695576|5.100342|0.124286|0.216047|0.500000| |5.657237|4.953025|5.633200|8.837019|17.671954|8.979938|6.897960|0.139391|6.319782|6.437920|3.633113|6.071599|2.977021|2.467788|14.922667|1.824535|1.620057|2.016455|0.041245|1.344325|2.243572|1.331085|1.224350|1.230560|9.753759|1.438015|2.174602|1.130329|1.072069|1.120094|8.526457|0.212863|4.341544|3.537379|3.924681|5.118993|0.124511|0.107546|0.123658|0.500000| |8.903231|5.648250|4.956628|5.631813|8.935248|17.730977|4.080874|0.096208|3.714814|4.506506|2.730523|4.522706|2.425447|2.060454|13.088198|1.607440|1.460614|1.823718|0.037006|1.232489|2.059372|1.234089|1.148404|1.164156|9.207024|1.333240|1.989017|1.079426|1.018637|1.055088|5.071140|0.112703|2.887687|2.581693|2.918990|3.611505|0.214730|0.124117|0.107571|0.217446|0.500000| |3.116625|3.305743|4.200808|5.499367|4.732751|3.548214|8.752689|0.204271|17.635131|12.613006|7.328083|13.419402|4.732833|3.824037|20.467688|2.489205|2.097133|2.585311|0.053677|1.671763|2.773678|1.620416|1.454315|1.438829|11.472845|1.753842|2.729640|1.296162|1.238117|1.315857|9.994075|0.192972|7.458825|4.660215|4.028081|4.674779|0.073892|0.079882|0.113924|0.142086|0.088047|0.500000| |3.902731|3.936610|4.897230|7.095447|6.906646|4.778126|8.768058|0.174945|17.622916|12.609702|5.801835|9.088086|4.269069|3.305678|18.907699|2.243748|1.938764|2.376515|0.048659|1.557560|2.576258|1.535272|1.392585|1.394876|11.190612|1.674318|2.583040|1.264782|1.198059|1.260056|8.780440|0.192861|5.173482|3.719369|3.604179|4.427990|0.090256|0.091236|0.121305|0.222817|0.117482|0.302708|0.500000| |3.633794|3.927310|4.801496|5.539291|4.800947|3.922902|6.105461|0.158498|9.014213|26.071355|9.298128|10.871110|7.434110|4.695998|26.300127|2.852705|2.414428|2.856683|0.057620|1.843596|2.989511|1.837475|1.644456|1.659184|13.694487|2.056281|3.260086|1.481254|1.384220|1.459793|5.791981|0.113237|3.778339|2.945793|2.795638|3.361941|0.086229|0.095652|0.128892|0.128817|0.095475|0.186175|0.231507|0.500000| |2.546245|2.786517|3.229578|3.370791|2.969355|2.612297|3.796240|0.110589|4.742579|9.734854|8.960245|10.883562|17.539918|8.824430|46.812785|4.300067|3.421830|3.832968|0.076289|2.384394|3.763794|2.374644|2.058973|2.066938|17.594254|2.738502|4.595518|1.792178|1.665345|1.779778|4.138782|0.079520|3.007729|2.476380|2.264648|2.557273|0.063529|0.072745|0.093823|0.080515|0.065942|0.125321|0.117672|0.210305|0.500000| |2.923281|3.365508|3.965282|3.854012|3.227488|2.876129|4.166650|0.128170|4.669280|9.626787|8.982940|11.023588|17.527437|8.820228|47.146980|4.295025|3.424797|3.829448|0.076091|2.383771|3.759794|2.378321|2.062353|2.072720|17.681865|2.747963|4.614128|1.798198|1.662389|1.782666|4.345637|0.081272|3.041797|2.552358|2.380446|2.768189|0.072303|0.089469|0.120960|0.083518|0.070691|0.115811|0.112841|0.203682|0.303938|0.500000| |2.318829|2.663780|3.144814|3.072379|2.572049|2.287625|3.544485|0.115765|3.735578|6.406030|6.907915|12.452174|8.859345|17.608078|56.050084|6.547283|4.391811|4.968996|0.103791|2.897593|4.580905|2.715222|2.268137|2.185890|18.058148|3.034014|5.242187|1.867659|1.770606|1.962167|4.051880|0.073927|3.090230|2.690473|2.393378|2.653738|0.058139|0.072200|0.099696|0.067937|0.057025|0.102695|0.087884|0.118002|0.173451|0.210698|0.500000| |2.114506|2.344635|2.732343|2.803431|2.431290|2.145437|3.295417|0.101836|3.759465|6.419196|6.854604|12.114651|8.863637|17.602158|56.042181|6.598423|4.405778|4.990926|0.104471|2.906295|4.596682|2.718614|2.270283|2.186101|18.036608|3.033962|5.242317|1.866127|1.778518|1.962957|3.867110|0.072356|3.038976|2.589700|2.267164|2.457279|0.053236|0.062447|0.082590|0.066171|0.054391|0.108653|0.089903|0.119163|0.212184|0.173437|0.302531|0.500000| |1.797538|2.011271|2.242110|2.170045|1.907404|1.758629|2.381340|0.073893|2.478108|3.948532|3.599821|6.462085|4.409033|6.615537|56.289543|17.556077|8.976772|9.658143|0.205925|4.732111|7.069324|4.087818|3.135737|2.873754|23.481698|4.490178|8.314646|2.349645|2.254289|2.621836|2.887768|0.054228|2.212592|2.028909|1.837525|1.966931|0.046401|0.055844|0.069009|0.050902|0.044892|0.069010|0.061729|0.077111|0.108873|0.116273|0.201214|0.169019|0.500000| |1.699393|1.864934|2.079115|2.070614|1.849912|1.693689|2.302203|0.069849|2.487033|3.956855|3.593937|6.405734|4.416425|6.597861|56.301798|17.557408|8.975598|9.671883|0.206661|4.736465|7.077967|4.087976|3.137391|2.874729|23.467096|4.486509|8.304137|2.347408|2.269615|2.619757|2.818414|0.053610|2.191873|1.982417|1.777418|1.882386|0.043851|0.051004|0.062540|0.050201|0.043631|0.070755|0.062490|0.077592|0.117093|0.108912|0.166726|0.202434|0.302086|0.500000| |1.138731|1.200660|1.237901|1.205620|1.143171|1.113103|1.232316|0.035552|1.288470|1.938996|1.518255|2.586579|1.722700|1.850139|15.925180|2.342136|2.840953|3.862875|0.069354|3.317263|5.415822|4.327717|5.946782|8.754311|41.332675|4.227348|4.485982|17.566671|8.642992|5.647215|1.546952|0.030526|1.141180|1.073057|1.024533|1.080176|0.030776|0.033772|0.035752|0.030970|0.029641|0.035323|0.034642|0.040504|0.048813|0.048474|0.049445|0.049948|0.060537|0.061514|0.500000| |1.159690|1.230488|1.265227|1.220679|1.151657|1.124734|1.242853|0.036056|1.285522|1.933833|1.518808|2.596948|1.720463|1.856529|15.951936|2.369063|2.886375|3.965110|0.071171|3.444011|5.651388|4.494720|6.304875|8.872603|40.347198|4.288963|4.523485|17.527941|8.638220|6.173376|1.558664|0.030629|1.146724|1.083740|1.037611|1.096045|0.031394|0.034864|0.036750|0.031019|0.029848|0.035108|0.034421|0.040262|0.048037|0.048898|0.050379|0.049569|0.062584|0.061079|0.302684|0.500000| |1.058046|1.116717|1.159262|1.134734|1.073383|1.038938|1.171336|0.033889|1.221690|1.821222|1.436877|2.486168|1.608491|1.756889|14.767195|2.278763|2.770363|4.030751|0.073790|3.668925|6.431234|4.473636|6.504704|6.543706|29.944285|3.815011|4.103778|8.803740|17.573464|8.798078|1.485947|0.029279|1.108553|1.049579|0.995845|1.039801|0.028504|0.031316|0.033575|0.029192|0.027662|0.033820|0.032702|0.037608|0.045265|0.044599|0.047341|0.048259|0.059454|0.061278|0.225437|0.175649|0.500000| |1.043429|1.104252|1.140818|1.108399|1.046976|1.018105|1.137680|0.033000|1.174894|1.746424|1.375211|2.385226|1.531676|1.668033|13.903735|2.139971|2.575602|3.755348|0.069363|3.398881|6.053168|4.061598|5.819206|5.849046|27.282792|3.475652|3.789095|8.651006|17.587997|8.640286|1.444321|0.028403|1.073326|1.022047|0.974272|1.018249|0.028201|0.031157|0.033125|0.028350|0.027081|0.032392|0.031418|0.036018|0.042660|0.042873|0.045533|0.045377|0.057054|0.056721|0.189251|0.219916|0.303081|0.500000| |1.126268|1.204417|1.256067|1.215970|1.135631|1.096653|1.258782|0.036894|1.294580|1.933564|1.548160|2.708865|1.734230|1.941643|16.346331|2.657438|3.332812|5.205567|0.094882|5.227944|9.777509|6.067731|8.886251|6.350827|30.054499|4.467717|4.729632|6.173391|8.644353|17.537539|1.595269|0.031133|1.193333|1.137983|1.076917|1.125146|0.030255|0.034022|0.036849|0.030656|0.028969|0.035791|0.034259|0.039524|0.047629|0.048364|0.053655|0.052766|0.071864|0.069646|0.129623|0.158636|0.175576|0.219563|0.500000| |1.100474|1.171389|1.227650|1.200257|1.124213|1.080175|1.251577|0.036548|1.299797|1.938879|1.554582|2.724259|1.739894|1.955146|16.412217|2.697103|3.387763|5.398739|0.098943|5.552526|10.806143|6.197339|8.774018|5.991033|29.006130|4.440149|4.736549|5.642986|8.637077|17.591063|1.591293|0.031144|1.198305|1.138672|1.071529|1.114710|0.029479|0.032847|0.035873|0.030533|0.028600|0.036183|0.034443|0.039594|0.048294|0.047847|0.053317|0.054057|0.071204|0.072841|0.129563|0.129584|0.224629|0.188845|0.303662|0.500000| |2.700453|2.821646|3.450431|4.312028|3.903247|3.056923|6.120318|0.153122|6.069838|5.961873|4.111952|8.451663|3.109639|2.814863|15.857365|2.056590|1.770843|2.250654|0.047363|1.475039|2.492445|1.413902|1.281125|1.256989|9.796615|1.497603|2.282581|1.144741|1.107114|1.178029|12.231163|0.242767|17.652024|8.689958|6.253248|5.937370|0.065346|0.069408|0.094289|0.119091|0.077878|0.218536|0.147882|0.101981|0.081634|0.079219|0.079208|0.081241|0.058157|0.058912|0.031126|0.031081|0.030276|0.029177|0.032249|0.032584|0.500000| |2.818644|3.107825|3.991871|4.759947|3.869013|3.051365|7.525152|0.229970|6.756400|7.180380|5.455990|12.904622|3.853127|3.528381|18.807100|2.435223|2.043092|2.578267|0.054574|1.663369|2.795641|1.581992|1.416525|1.382834|10.841451|1.681686|2.599830|1.247794|1.205046|1.293355|12.202789|0.186433|17.669019|8.655724|5.814900|6.201641|0.067605|0.077325|0.116265|0.109223|0.075318|0.232162|0.143039|0.115499|0.095706|0.096934|0.102998|0.100879|0.070120|0.069360|0.033716|0.033903|0.032782|0.031681|0.035510|0.035684|0.301407|0.500000| |2.326310|2.457385|2.900672|3.310971|3.002380|2.521376|4.129435|0.114449|3.665499|4.116538|3.012109|6.245222|2.449722|2.343697|13.625449|1.838259|1.605467|2.083470|0.044276|1.377298|2.358207|1.308196|1.191451|1.160499|8.905059|1.364865|2.053837|1.063443|1.037585|1.107815|7.865738|0.146773|8.757888|17.618732|8.694104|5.712807|0.057631|0.062400|0.081659|0.086926|0.064841|0.114626|0.091992|0.073376|0.063474|0.063962|0.068115|0.067223|0.052989|0.052500|0.028785|0.028976|0.028314|0.027510|0.030557|0.030721|0.223122|0.186631|0.500000| |2.528712|2.784358|3.390774|3.719327|3.159346|2.654941|4.734511|0.144193|3.884536|4.508720|3.414177|7.336320|2.746352|2.655474|15.141663|2.046008|1.765560|2.283638|0.048682|1.496882|2.554800|1.415820|1.280793|1.244195|9.582352|1.480223|2.243742|1.134056|1.104294|1.185786|8.514523|0.140035|8.820125|17.590964|8.821371|6.783483|0.062070|0.071366|0.099868|0.087217|0.066497|0.116708|0.093200|0.079046|0.068946|0.072392|0.079742|0.074819|0.060067|0.057786|0.030535|0.030986|0.029969|0.029269|0.032849|0.032762|0.176768|0.225164|0.302870|0.500000| |2.853233|2.916683|3.375813|3.973679|3.807208|3.187567|4.497820|0.114838|3.686860|4.010551|2.752845|5.344193|2.265310|2.091805|12.476470|1.643699|1.456929|1.876012|0.039340|1.252482|2.135602|1.207365|1.109426|1.091864|8.412622|1.268051|1.897107|1.006847|0.975384|1.031863|9.423831|0.198057|6.640477|8.762567|17.547371|8.845458|0.070053|0.072243|0.089966|0.111315|0.082304|0.105880|0.097955|0.073495|0.059179|0.061081|0.060307|0.058276|0.047123|0.046116|0.027345|0.027590|0.026571|0.025947|0.028491|0.028433|0.168922|0.136401|0.217215|0.173904|0.500000| |2.774796|2.959789|3.432226|3.740706|3.377965|2.929723|4.152777|0.115356|3.281045|3.765500|2.681381|5.292997|2.239138|2.112226|12.613276|1.683609|1.491387|1.930461|0.040657|1.287566|2.201741|1.234840|1.132679|1.110164|8.523356|1.291539|1.931043|1.022850|0.992965|1.055217|7.774503|0.142073|5.645492|8.687244|17.614299|8.804712|0.068620|0.075353|0.095674|0.092763|0.074200|0.092470|0.084325|0.068893|0.057415|0.061008|0.062317|0.058291|0.048981|0.046917|0.027645|0.028113|0.026939|0.026470|0.029293|0.029040|0.130400|0.129408|0.194607|0.218944|0.302374|0.500000| |3.856763|4.483482|5.949291|6.416298|4.877722|3.974504|7.265990|0.216847|4.651643|5.279475|3.686501|7.221095|2.948980|2.678986|15.531271|2.005753|1.746203|2.215608|0.046337|1.459837|2.462980|1.407926|1.280099|1.260570|9.837121|1.494303|2.268718|1.150985|1.106266|1.177702|12.355013|0.183356|6.711392|6.978679|8.797944|17.624904|0.090011|0.109694|0.171606|0.122871|0.093492|0.121278|0.112969|0.093961|0.073272|0.082031|0.080214|0.071692|0.058630|0.055022|0.031052|0.031686|0.029877|0.029365|0.032662|0.032191|0.138964|0.168349|0.139811|0.193655|0.173307|0.215337|0.500000| 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