Version2.1 2020-12-26T05:31:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 28-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C)c1ccc(cc1)[C@H]2[NH2+]C[C@@H](O2)CSc3c(c(cc(n3)c4cccs4)C(F)(F)F)C#N C08781439 RHF 6-31G(d) (6D,7F) CN(C)c1ccc(cc1)[C@H]2[NH2+]C[C@@H](O2)CSc3c(c(cc(n3)c4cccs4)C(F)(F)F)C#N C01[X(C23H22F3N4O1S2)] 159 C1 547 N#Cc1c(SC[C@H]2C[NH2+][C@@H](O2)c2ccc(cc2)N(C)C)nc(cc1C(F)(F)F)c1cccs1 N#Cc1c(SC[C@H]2C[NH2+][C@@H](O2)c2ccc(cc2)N(C)C)nc(cc1C(F)(F)F)c1cccs1 CN(C)c1ccc(cc1)[C@H]2[NH2+]C[C@H](CSc3nc(cc(c3C#N)C(F)(F)F)c4sccc4)O2 InChIKey=NHAFLDDHDMHTGN-IERDGZPVSA-O InChI=1S/C23H21F3N4OS2/c1-30(2)15-7-5-14(6-8-15)21-28-12-16(31-21)13-33-22-17(11-27)18(23(24,25)26)10-19(29-22)20-4-3-9-32-20/h3-10,16,21,28H,12-13H2,1-2H3/p+1/t16-,21+/m1/s1 InChI=1/C23H21F3N4OS2/c1-30(2)15-7-5-14(6-8-15)21-28-12-16(31-21)13-33-22-17(11-27)18(23(24,25)26)10-19(29-22)20-4-3-9-32-20/h3-10,16,21,28H,12-13H2,1-2H3/p+1/t16-,21+/m1/s1/fC23H22F3N4OS2/h28H/q+1 CN(C)c1ccc(cc1)[C@H]2[NH2+]C[C@@H](O2)CSc3c(c(cc(n3)c4cccs4)C(F)(F)F)C#N C01[X(C23H22F3N4O1S2)] 159 C01 547 N#Cc1c(SC[C@H]2C[NH2+][C@@H](O2)c2ccc(cc2)N(C)C)nc(cc1C(F)(F)F)c1cccs1 N#C[C]1[C]([N][C]([CH][C]1C(F)(F)F)C1=[CH][CH]=[CH]S1)SC[C@H]1C[NH2][C@@H](O1)[C]1[CH][CH][C]([CH][CH]1)N(C)C CN(C)[C]1[CH][CH][C]([CH][CH]1)[C@H]2[NH2]C[C@H](CS[C]3[N][C]([CH][C]([C]3C#N)C(F)(F)F)c4sccc4)O2 InChIKey=DZELPLDTEMWVTR-IERDGZPVSA-N InChI=1S/C23H22F3N4OS2/c1-30(2)15-7-5-14(6-8-15)21-28-12-16(31-21)13-33-22-17(11-27)18(23(24,25)26)10-19(29-22)20-4-3-9-32-20/h3-10,16,21H,12-13,28H2,1-2H3/t16-,21+/m1/s1 InChI=1/C23H22F3N4OS2/c1-30(2)15-7-5-14(6-8-15)21-28-12-16(31-21)13-33-22-17(11-27)18(23(24,25)26)10-19(29-22)20-4-3-9-32-20/h3-10,16,21H,12-13,28H2,1-2H3/t16-,21+/m1/s1 3553.8525907603 -2269.5378624 1-A 26090.9054 127 420 547 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1.2165 0.9537 2.3045 2.0793 0.9128 0.9295 2.0460 0.9641 1.5934 2.0377 1.7068 1.3094 1.8215 1.8698 3.4972 1.1791 6.4226 1.2536 1.1429 2.2588 1.5162 1.2838 4.6380 1.7320 1.3442 5.3939 1.4226 2.0790 1.9344 11.9175 2.1675 3.3708 2.3189 1.5672 2.9178 10.3954 1.6776 1.7784 1.7273 1.8474 3.4969 3.3628 1.8743 5.8257 2.2168 2.2412 2.1621 9.0830 2.7003 1.7296 7.5561 1.6490 1.9318 1.7311 1.6739 1.7558 1.8148 3.9991 12.2441 10.0502 13.4254 12.4894 6.9361 2.2614 50.9895 6.2708 6.3194 6.9043 6.7966 6.9371 6.6894 6.7799 7.0340 7.0826 7.1801 7.2580 7.2428 7.4286 7.4153 7.4643 7.5650 7.5932 7.5851 7.6302 7.7074 8.4320 9.1204 0.1760 1.1266 1.3758 0.1581 2.3143 0.0603 1.4441 8.0741 1.8915 0.7007 3.9446 1.6449 0.4060 0.5286 0.8811 6.6781 2.5493 7.6243 6.4975 1.9084 0.5118 1.3618 3.0551 1.8911 3.4387 0.5945 5.2242 1.0564 0.2899 6.6551 2.9863 1.2033 1.1819 1.9834 1.5010 1.4843 0.4438 4.9652 6.4325 1.8156 0.8980 0.0588 11.7431 2.2914 5.9627 3.4121 3.0342 6.2350 23.4485 0.2033 1.2793 3.6158 16.3821 8.4081 22.0563 51.3610 7.1052 9.3055 3.2425 74.6143 48.3426 1.4477 2.4298 20.9965 62.7022 18.8963 19.3818 16.5954 29.3852 49.0692 5.9407 14.0429 4.4743 24.1863 22.0464 20.2378 0.0924 0.2140 8.7693 0.0946 16.2610 16.5317 53.1784 34.5397 11.0656 15.6121 97.9046 9.5888 72.6265 20.9324 2.1670 30.5041 5.5317 12.7146 164.7369 169.8401 154.4497 70.5306 4.3568 29.2288 4.0697 246.1421 62.6934 240.6089 19.2223 50.1842 14.7107 520.0385 48.4919 99.6628 67.2225 248.2883 42.5847 315.4446 1.3995 219.0893 111.3598 0.7804 18.4769 172.7164 10.1073 11.1949 164.7103 0.2887 32.5172 3.5535 12.7019 3.8764 26.6712 252.4388 130.5167 30.5734 45.6281 365.5609 256.5062 85.0803 42.9874 70.3877 28.9724 27.1392 6.9466 51.3186 10.5598 4.1398 9.9090 30.3993 1.6010 1.7958 43.2388 2.0831 2.5575 9.3330 6.0061 3.4204 3.5250 4.9094 1.1914 84.2213 94.4469 2.1717 1.0458 2.1420 4.8308 3.5438 0.4444 0.7604 0.9003 0.6883 1.5444 0.8411 0.6439 0.7276 0.4929 0.2581 4.0752 1.1696 1.0325 2.5114 3.9643 2.2785 0.2784 0.7832 1.3930 1.1017 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0.8546 0.8541 0.8546 0.8445 0.6875 0.5993 0.6329 0.6566 0.3382 0.5680 0.6226 0.6291 0.4566 0.4280 0.0771 0.8514 0.3361 0.8147 0.0939 0.1667 0.3457 0.3894 0.8534 0.8198 0.6442 0.8357 0.5699 0.7165 0.4126 0.5248 0.2753 0.3637 0.3719 0.1283 0.7035 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 6 7 6 6 6 6 6 6 6 6 1 7 1 1 6 6 1 8 6 16 6 6 6 6 6 7 6 6 6 6 16 6 9 9 9 6 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 1.00783 15.99491 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 18.99840 18.99840 18.99840 12.00000 14.00307 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 10467.6429 39103.5027 47708.1994 0.99985 0.01690 0.00404 -0.01693 0.99983 0.00761 -0.00391 -0.00767 0.99996 1 0.00827 0.00221 0.00182 0.17241 0.04615 0.03783 9.06 16.51 31.71 34.56 44.08 57.86 67.43 82.64 91.43 97.32 112.40 125.21 127.97 153.06 176.86 200.78 218.83 243.94 250.20 281.03 313.97 319.47 325.22 369.77 394.16 410.01 411.81 428.72 461.87 487.67 503.95 521.75 559.37 628.85 658.15 664.26 679.48 721.78 743.53 759.89 780.64 807.76 845.13 850.06 852.06 883.08 894.86 927.09 952.22 996.23 999.70 1017.13 1072.27 1082.75 1111.32 1113.59 1126.34 1143.31 1173.66 1187.10 1189.99 1223.88 1239.93 1275.44 1285.56 1318.98 1329.55 1343.87 1346.20 1347.09 1410.62 1428.50 1456.98 1464.96 1474.27 1491.19 1526.16 1550.57 1573.20 1597.83 1622.50 1634.80 1648.81 1691.49 1692.60 1723.72 1731.32 1753.97 1766.18 1796.29 1797.61 1805.18 1813.56 1852.12 1873.66 1883.56 1900.92 1921.61 1941.17 1962.55 1971.66 1998.37 2001.71 2005.63 2012.50 2040.93 2044.49 2106.83 2114.65 2130.07 2143.16 2157.57 2160.45 2185.36 2201.21 2216.39 2233.70 2266.25 2293.57 2303.47 2319.26 2324.01 2335.90 2357.97 2360.45 2364.18 2370.69 2393.60 2417.95 2456.50 2494.80 2511.51 2536.09 2579.45 2587.20 2621.94 3755.89 4604.56 4616.03 4686.22 4689.58 4695.31 4705.83 4739.63 4760.04 4775.56 4789.37 4795.93 4817.05 4839.95 4886.00 4902.82 4932.89 4935.28 4937.78 4950.83 4961.65 5297.84 5404.10 0.456640 0.485932 0.486877 0.389149 -2269.081223 -2269.051930 -2269.050986 -2269.148713 3.277780D-04 MUNgauss RevisionA2.0 retrievium 26-Dec-2020 DUDE CN(C)c1ccc(cc1)[C@H]2[NH2+]C[C@@H](O2)CSc3c(c(cc(n3)c4cccs4)C(F)(F)F)C#N C08781439 RHF 6-31G(d) (6D,10F) C1 491.118715 |X|Y|Z| 71.526304 25.639246 142.538616 63.939297 24 6 7 8 16 19 2 1 2 |36.858105| |13.129605|53.358707| |7.611387|17.858006|36.858105| |7.813482|19.068692|7.816227|36.858105| |6.732302|10.724377|5.086052|13.491617|36.858105| |4.532375|7.067680|3.920289|7.861676|13.867212|36.858105| |3.749986|6.187883|3.752038|6.730027|7.882105|13.667783|36.858105| |3.915150|7.056997|4.529539|7.843977|6.887423|7.990306|13.709639|36.858105| |5.089209|10.730002|6.734012|13.530073|7.925969|6.913036|7.902773|13.833789|36.858105| |2.913510|4.557343|2.910856|4.399769|5.035452|7.592300|12.702840|7.543783|5.022630|36.858105| |2.762377|4.198762|2.681821|3.936853|4.616949|6.766476|8.796985|5.824968|4.281078|17.643012|0.500000| |2.676180|4.047340|2.585835|3.739605|4.367472|6.172240|7.582561|5.292018|4.016485|12.115384|0.247942|53.358707| |2.515547|3.700130|2.360048|3.335493|3.979714|5.492379|5.996108|4.317904|3.453998|8.817823|0.235920|25.726788|0.500000| |2.939077|4.439290|2.779695|4.140674|4.959390|6.993144|7.806865|5.466332|4.310782|8.986954|0.188883|25.708564|0.326049|0.500000| |2.312489|3.517884|2.338098|3.135967|3.412750|4.340052|5.418698|4.508663|3.492192|7.759314|0.169767|17.287935|0.252553|0.253041|36.858105| |2.390287|3.758389|2.556208|3.389729|3.493576|4.342901|6.019279|5.583638|4.053707|8.296960|0.168755|11.084086|0.166793|0.185100|12.477584|36.858105| |2.585882|4.157747|2.845078|3.780244|3.764026|4.534573|6.338738|6.473179|4.680417|7.150439|0.143837|9.494979|0.142968|0.183586|8.847283|17.577473|0.500000| |2.553402|4.034217|2.703926|3.736967|3.924082|5.128084|7.814299|6.708206|4.517631|13.901453|0.264656|11.303986|0.177529|0.177704|8.351536|13.496443|0.257813|73.516695| |2.044128|3.177105|2.227837|2.752454|2.768103|3.261379|4.184457|4.154107|3.258098|5.269967|0.124167|6.990195|0.120524|0.122652|7.438113|12.562584|0.246419|14.124789|36.858105| |2.048791|3.244242|2.353258|2.770891|2.659174|3.005905|3.849148|4.235251|3.408717|4.350868|0.105435|5.207703|0.091880|0.096430|4.605905|7.032720|0.185312|11.050817|10.495180|388.023441| |1.747652|2.711660|1.995192|2.239437|2.152528|2.369520|2.858385|3.078780|2.647360|3.154165|0.079332|4.043863|0.073998|0.076575|3.591591|4.660475|0.125759|7.184566|6.840329|76.220384|36.858105| |1.670534|2.591503|1.945618|2.100048|1.985418|2.135135|2.524297|2.777289|2.474701|2.682325|0.068351|3.405525|0.062995|0.065718|2.890401|3.607415|0.100944|5.842259|4.639314|49.579687|13.623966|36.858105| |1.497270|2.290258|1.721116|1.830176|1.742421|1.859032|2.146244|2.318784|2.107039|2.274847|0.058748|2.957698|0.055571|0.057463|2.497904|2.961618|0.082458|4.799939|3.702223|33.720732|7.996137|13.668198|36.858105| |1.417387|2.146666|1.594594|1.717606|1.659066|1.782386|2.041851|2.155688|1.949810|2.199082|0.057050|2.931472|0.055554|0.056746|2.519230|2.897803|0.079269|4.611711|3.684525|30.190641|7.029901|7.965330|13.864011|36.858105| |1.473582|2.230358|1.634193|1.805998|1.766172|1.926833|2.226505|2.310634|2.049822|2.458427|0.063472|3.332842|0.063035|0.063740|2.963685|3.399232|0.090676|5.244031|4.586379|34.604061|8.343803|6.965904|7.990080|13.654715|36.858105| |1.628325|2.489439|1.811598|2.048173|2.005388|2.220346|2.629966|2.733972|2.362667|2.962712|0.075320|3.972382|0.073824|0.074849|3.641848|4.414640|0.115274|6.598161|6.673369|50.806693|14.541266|7.999064|6.919516|8.016689|14.343167|53.358707| |1.375246|2.056293|1.494095|1.658828|1.643957|1.796671|2.041818|2.072715|1.848855|2.271362|0.059279|3.167821|0.060938|0.060627|2.825499|3.061227|0.080645|4.724635|3.966162|26.926952|5.292605|4.534107|5.085973|7.612067|12.977773|10.892322|36.858105| |1.381503|2.053565|1.474543|1.666492|1.675573|1.852168|2.098061|2.083269|1.841809|2.383448|0.062638|3.399355|0.066180|0.064331|3.087227|3.214510|0.082368|4.933167|4.150594|25.731215|4.548542|3.739485|3.891674|5.065666|7.559916|8.995883|14.065435|36.858105| |1.270291|1.868848|1.340521|1.503153|1.518594|1.666202|1.851944|1.826182|1.637303|2.080564|0.055254|3.001605|0.059364|0.057420|2.654821|2.669803|0.069234|4.178096|3.234961|20.281150|3.405977|2.965298|3.142420|3.966111|5.092940|6.050236|8.200797|13.344763|36.858105| |1.200022|1.763344|1.275132|1.405589|1.408579|1.527381|1.687243|1.683347|1.528718|1.860296|0.049366|2.654284|0.052330|0.051388|2.299327|2.344339|0.062064|3.705902|2.790605|18.344742|3.144314|2.867569|3.169619|4.092282|4.864568|5.402157|7.703560|8.262866|14.133119|36.858105| |1.237606|1.833960|1.340039|1.458987|1.442917|1.554942|1.733117|1.762141|1.604900|1.889080|0.049706|2.642610|0.051366|0.051351|2.283527|2.416385|0.064949|3.813017|2.930702|20.356342|3.742275|3.539730|4.194786|6.003554|6.761438|6.492631|10.960008|7.456167|7.460276|11.094271|388.023441| |1.410835|2.148335|1.635138|1.690390|1.596960|1.677816|1.906187|2.072035|1.928550|1.980068|0.051586|2.563819|0.048532|0.050328|2.108025|2.450177|0.069005|4.069558|2.901928|25.765834|5.027434|7.536962|12.554559|7.604694|5.036837|6.071775|3.804211|3.049434|2.609465|2.701382|24.895340|36.858105| |1.292753|1.948319|1.476732|1.524277|1.451441|1.522445|1.708475|1.831173|1.713780|1.779561|0.046678|2.337687|0.044654|0.045994|1.919711|2.175147|0.060888|3.606625|2.550724|21.370749|4.034566|5.245102|8.135590|7.104035|4.672921|5.292337|3.799911|3.008378|2.653385|2.843091|26.992011|14.471019|97.533100| |1.461481|2.236299|1.722339|1.746034|1.630060|1.693861|1.917705|2.114457|1.997910|1.954472|0.050526|2.530412|0.047639|0.050246|2.062028|2.400346|0.069173|3.972853|2.763060|24.543281|4.478438|6.449541|8.166379|5.619349|4.180265|5.299127|3.277833|2.703585|2.347251|2.423320|21.734184|14.470739|20.132109|97.533100| |1.396587|2.124982|1.622162|1.668839|1.574477|1.651228|1.873141|2.039671|1.903504|1.942657|0.051136|2.475965|0.047090|0.048405|2.005223|2.333694|0.065142|3.983986|2.730345|24.630748|4.483527|6.462314|8.162018|5.605227|4.171131|5.295820|3.271313|2.731225|2.359666|2.409958|21.290244|14.480824|20.132124|20.102875|97.533100| |1.777884|2.792787|2.136189|2.250915|2.082262|2.206667|2.614142|2.978003|2.699029|2.690093|0.068552|3.312158|0.061043|0.064521|2.709769|3.415572|0.098089|5.779327|4.064449|45.505896|7.750967|13.237223|7.658087|5.107127|4.566077|7.051278|3.379270|2.937617|2.430189|2.357110|19.925765|6.469770|10.100158|14.435737|14.456266|36.858105| |1.860632|2.947523|2.294896|2.355734|2.140983|2.235598|2.634589|3.073922|2.850196|2.637971|0.067484|3.189839|0.058847|0.062659|2.535904|3.172663|0.092385|5.546927|3.566784|38.135147|5.484622|7.401090|5.373049|3.938084|3.591378|5.465593|2.814779|2.511688|2.127887|2.067081|17.089248|5.158721|8.560307|12.341546|12.341816|16.778028|53.358707| |17.666300|12.516403|7.535940|5.741862|4.897541|3.620270|3.137944|3.330525|4.245100|2.523607|0.066713|3.184960|0.061348|0.070690|2.068343|2.145026|0.064396|4.027621|1.869619|13.463708|1.640063|1.584003|1.429545|1.351084|1.394500|2.080588|1.302197|1.302070|1.201885|1.141873|8.395881|1.358897|2.809620|3.181910|3.029858|1.691602|2.419965|0.500000| |17.560362|12.321815|5.829301|6.886197|6.809911|4.638082|3.722889|3.738835|4.627353|2.923448|0.076581|3.780453|0.072850|0.086488|2.381481|2.407994|0.072464|4.502326|2.043287|14.273334|1.720915|1.633404|1.470107|1.402272|1.465967|2.202727|1.377370|1.390420|1.283030|1.209858|8.825088|1.379340|2.855868|3.210137|3.053464|1.718276|2.422651|0.303098|0.500000| |17.536573|12.271877|5.985957|6.858275|6.666814|4.585745|3.706473|3.748719|4.656203|2.917155|0.078753|3.597066|0.070016|0.079415|2.258409|2.322144|0.068512|4.498239|1.991752|14.162558|1.695432|1.617722|1.451111|1.376042|1.432465|2.154441|1.340017|1.351089|1.243902|1.172567|8.569355|1.367131|2.822431|3.165054|3.062385|1.719223|2.447678|0.302191|0.300005|0.500000| |5.988951|12.271880|17.541811|6.862070|4.653116|3.754253|3.709223|4.583167|6.669443|2.913251|0.075371|3.431074|0.064044|0.073752|2.292534|2.547576|0.077863|4.883832|2.246936|17.256709|2.045006|2.009281|1.767657|1.624385|1.656371|2.502931|1.504775|1.480167|1.341026|1.276170|9.574591|1.686059|3.407798|3.988428|3.800956|2.238724|3.321506|0.163128|0.129588|0.148091|0.500000| |5.829352|12.323110|17.566658|6.895975|4.628375|3.746002|3.728484|4.641178|6.815869|2.920983|0.073316|3.579884|0.065861|0.078959|2.425339|2.682446|0.084770|4.919578|2.344311|17.744728|2.122856|2.076992|1.831962|1.690632|1.728872|2.611049|1.572566|1.543210|1.398474|1.333336|10.022154|1.738965|3.520575|4.161746|3.850045|2.287757|3.346998|0.159654|0.139366|0.129564|0.300101|0.500000| |7.535126|12.512293|17.665561|5.742675|4.243155|3.333754|3.138933|3.618249|4.898589|2.522155|0.065463|3.115242|0.058829|0.068223|2.083688|2.241852|0.068522|4.178946|1.982316|14.800923|1.801420|1.767908|1.583581|1.473496|1.503529|2.245332|1.383750|1.365461|1.250558|1.194712|8.908538|1.517302|3.106487|3.600142|3.389173|1.930539|2.815252|0.253327|0.159732|0.162991|0.302074|0.303007|0.500000| |7.636782|9.687828|4.623256|8.808447|17.794589|9.041896|5.648899|4.966295|5.625459|4.127151|0.109593|5.155476|0.099827|0.119063|3.002964|2.985309|0.087890|5.851793|2.428881|16.503474|1.925665|1.787376|1.588627|1.521692|1.615375|2.468058|1.517854|1.551261|1.419908|1.320791|9.566375|1.466034|3.021471|3.364270|3.254676|1.864308|2.604115|0.148617|0.234601|0.224888|0.115777|0.114422|0.113713|0.500000| |3.970455|5.734755|3.280705|5.626930|9.046387|17.646170|8.846458|5.649124|4.968132|6.998936|0.193272|8.722323|0.174416|0.199044|4.294958|4.006820|0.111435|8.314862|3.064231|19.520687|2.209971|1.983901|1.747358|1.694222|1.841264|2.868356|1.740310|1.814164|1.645902|1.502165|10.750006|1.576961|3.246137|3.557808|3.492156|2.022457|2.764401|0.090059|0.115966|0.114638|0.087492|0.086975|0.080275|0.221560|0.500000| |3.278338|5.728421|3.966442|5.622071|4.961981|5.659796|8.893340|17.739628|9.019964|6.943706|0.150057|6.703531|0.111547|0.134378|4.605871|6.368975|0.209107|13.515353|4.893704|38.480354|3.663970|3.276458|2.652696|2.427052|2.601368|4.276931|2.282202|2.269047|1.957957|1.804070|13.601157|2.339239|4.578434|5.363429|5.183213|3.572148|5.024978|0.080223|0.086887|0.087420|0.114480|0.115957|0.089986|0.107795|0.123796|0.500000| |4.626750|9.694844|7.643295|8.827435|5.625472|4.979761|5.662721|9.048579|17.796061|4.114679|0.099516|4.620572|0.082137|0.099513|3.101290|3.662957|0.118100|7.038145|3.091568|24.144032|2.682477|2.569297|2.181343|1.989361|2.060029|3.208973|1.839280|1.808266|1.606064|1.512365|11.415793|2.020095|4.010651|4.770604|4.497576|2.876090|4.234099|0.113786|0.114425|0.115862|0.225168|0.234891|0.148700|0.123222|0.107902|0.221024|0.500000| |2.086276|3.124969|2.093268|2.731815|2.977848|3.720412|4.454527|3.759351|2.996836|6.401814|0.159184|12.335658|0.234897|0.182864|17.648126|8.778807|0.173626|12.599031|7.030632|30.626128|3.499510|2.801283|2.456364|2.519840|3.007267|4.994446|2.935759|3.314115|2.854785|2.420072|16.738145|2.066757|4.271329|4.481894|4.444075|2.584129|3.266340|0.052240|0.059438|0.057222|0.057486|0.059780|0.052361|0.074335|0.105410|0.107564|0.075027|0.500000| |2.255835|3.405141|2.272899|2.978998|3.213801|3.923975|4.623469|4.012103|3.260373|5.728149|0.130179|12.188651|0.198384|0.232142|17.657569|8.616977|0.216363|10.460664|6.180599|29.014600|3.383293|2.761919|2.430338|2.477683|2.913010|4.762660|2.824516|3.087897|2.695502|2.344499|16.454995|2.060386|4.257617|4.573370|4.355428|2.569925|3.265497|0.056408|0.065339|0.060488|0.061095|0.066184|0.056701|0.079778|0.107971|0.112434|0.081453|0.298722|0.500000| |1.911474|2.925976|2.042663|2.515427|2.573247|3.047279|3.804677|3.645450|2.906531|4.977186|0.125269|6.627013|0.120750|0.112734|6.806696|8.875879|0.173891|12.870336|17.618584|56.071478|5.977695|4.197711|3.476465|3.547327|4.475168|8.555681|4.028627|4.418456|3.424526|2.880963|20.975911|2.748879|5.520527|5.765123|5.914384|3.652539|4.387525|0.048641|0.053051|0.052315|0.057501|0.058907|0.050908|0.063557|0.081538|0.115525|0.076263|0.209797|0.152411|0.500000| |1.933003|2.979747|2.102073|2.537632|2.544169|2.934827|3.617351|3.610530|2.950419|4.324528|0.103224|6.191744|0.108769|0.113468|6.741823|8.908652|0.212508|10.180767|17.632734|56.529478|6.914331|4.660682|3.865741|4.004142|5.221877|10.450055|4.597775|4.841041|3.676654|3.140659|23.495557|2.983309|5.977908|6.412445|6.133790|3.900176|4.579370|0.049462|0.054095|0.051940|0.058295|0.061981|0.052414|0.062804|0.077216|0.114646|0.078626|0.177167|0.177961|0.301080|0.500000| |1.316710|1.978930|1.472159|1.570129|1.519967|1.622608|1.833919|1.925044|1.761924|1.962715|0.051320|2.635775|0.050413|0.051310|2.236936|2.509258|0.068781|4.036446|3.083668|24.379587|5.040306|5.660361|8.967862|17.801868|8.856248|7.758479|6.952403|4.675141|3.924380|4.313545|48.824240|7.057590|18.418769|11.810960|11.800314|4.135513|4.574215|0.035016|0.036234|0.035538|0.041582|0.043251|0.038050|0.039004|0.043068|0.059393|0.049944|0.062440|0.061589|0.083576|0.092802|0.500000| |1.465035|2.183391|1.555666|1.790188|1.813325|2.031949|2.326426|2.282682|1.985786|2.708037|0.071125|3.885009|0.075575|0.072213|3.630410|3.763494|0.093294|5.705345|5.059117|29.078312|4.880125|3.794349|3.728041|4.556633|6.756047|9.698241|8.927237|17.775985|8.607387|5.742651|37.729835|2.904590|6.269327|5.848977|5.965936|3.015112|3.521720|0.038129|0.040980|0.039896|0.043405|0.045103|0.039816|0.046415|0.055430|0.069253|0.053673|0.111318|0.099018|0.157567|0.164147|0.112431|0.500000| |1.248240|1.825318|1.301196|1.468655|1.496735|1.647538|1.816405|1.769050|1.586366|2.052357|0.054942|2.999321|0.060098|0.057264|2.637631|2.577141|0.066318|4.065845|3.042538|18.645440|2.992531|2.606797|2.703307|3.270764|4.059812|5.119095|5.714484|8.605802|17.757496|8.908032|37.734832|2.288437|5.204036|4.689095|4.731346|2.190744|2.648558|0.032762|0.035133|0.034046|0.036082|0.037550|0.033782|0.039054|0.045600|0.052183|0.042950|0.080054|0.074563|0.090747|0.094635|0.089469|0.201463|0.500000| |1.129894|1.651069|1.194609|1.308548|1.312866|1.415938|1.549217|1.543040|1.412736|1.695363|0.045201|2.422996|0.048064|0.047194|2.066817|2.085892|0.055551|3.332244|2.422208|16.027871|2.679058|2.492450|2.750000|3.427967|3.860614|4.423455|5.416583|5.698188|8.758362|17.787723|55.614955|2.421801|5.804556|4.947002|4.907558|2.098037|2.538434|0.029952|0.031682|0.030687|0.033163|0.034635|0.031231|0.034378|0.038806|0.045603|0.038842|0.060261|0.058758|0.069262|0.074727|0.102126|0.122664|0.203573|0.500000| 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