Version2.3 2021-04-01T06:01:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc2c(c(c1)Cl)NC(=O)[C@]23[C@H]4[C@@H]([C@@H](N3)CCSC)C(=O)N(C4=O)C5CCCCCC5 C16020424 RHF 6-31G(d) (6D,7F) Cc1cc2c(c(c1)Cl)NC(=O)[C@]23[C@H]4[C@@H]([C@@H](N3)CCSC)C(=O)N(C4=O)C5CCCCCC5 C01[X(C24H30Cl1N3O3S1)] 180 C1 548 CSCC[C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCCC1)C(=O)Nc1c2cc(C)cc1Cl CSCC[C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCCC1)C(=O)Nc1c2cc(C)cc1Cl CSCC[C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C4CCCCCC4)C3=O)C(=O)Nc5c(Cl)cc(C)cc25 InChIKey=IJUXZXBGFVOQSS-UAKAABGRSA-N InChI=1S/C24H30ClN3O3S/c1-13-11-15-20(16(25)12-13)26-23(31)24(15)19-18(17(27-24)9-10-32-2)21(29)28(22(19)30)14-7-5-3-4-6-8-14/h11-12,14,17-19,27H,3-10H2,1-2H3,(H,26,31)/t17-,18+,19-,24+/m0/s1 InChI=1/C24H30ClN3O3S/c1-13-11-15-20(16(25)12-13)26-23(31)24(15)19-18(17(27-24)9-10-32-2)21(29)28(22(19)30)14-7-5-3-4-6-8-14/h11-12,14,17-19,27H,3-10H2,1-2H3,(H,26,31)/t17-,18+,19-,24+/m0/s1/f/h26H Cc1cc2c(c(c1)Cl)NC(=O)[C@]23[C@H]4[C@@H]([C@@H](N3)CCSC)C(=O)N(C4=O)C5CCCCCC5 C01[X(C24H30Cl1N3O3S1)] 180 C01 548 CSCC[C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCCC1)C(=O)Nc1c2cc(C)cc1Cl CSCC[C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCCC1)C(=O)N[C]1[C]2[CH][C]([CH][C]1Cl)C CSCC[C@@H]1N[C@]2([C]3[CH][C](C)[CH][C](Cl)[C]3NC2=O)[C@H]4[C@@H]1C(=O)N(C5CCCCCC5)C4=O InChIKey=IJUXZXBGFVOQSS-UAKAABGRSA-N InChI=1S/C24H30ClN3O3S/c1-13-11-15-20(16(25)12-13)26-23(31)24(15)19-18(17(27-24)9-10-32-2)21(29)28(22(19)30)14-7-5-3-4-6-8-14/h11-12,14,17-19,27H,3-10H2,1-2H3,(H,26,31)/t17-,18+,19-,24+/m0/s1 InChI=1/C24H30ClN3O3S/c1-13-11-15-20(16(25)12-13)26-23(31)24(15)19-18(17(27-24)9-10-32-2)21(29)28(22(19)30)14-7-5-3-4-6-8-14/h11-12,14,17-19,27H,3-10H2,1-2H3,(H,26,31)/t17-,18+,19-,24+/m0/s1/f/h26H 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0.8532 0.8306 0.5980 0.8402 0.7344 0.2363 0.8357 0.8195 0.8571 0.8411 0.6755 0.4793 0.8420 0.8434 0.8550 0.7719 0.8569 0.8342 0.8528 0.8450 0.4554 0.8323 0.8558 0.8365 0.6460 0.8569 0.8333 0.8424 0.8127 0.8544 0.5161 0.5701 0.6190 0.8220 0.8327 0.3812 0.0560 0.8064 0.2176 0.1483 0.6337 0.0120 0.8364 0.3426 0.2231 0.8360 0.7919 0.8486 0.8550 0.5603 0.6067 0.6423 0.8406 0.8571 0.8498 0.0856 0.3456 0.7865 0.4745 0.3949 0.4440 0.3490 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 6 6 6 6 6 6 6 17 7 6 8 6 6 1 6 1 6 1 7 6 6 16 6 6 8 7 6 8 6 6 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 14.00307 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 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 13526.2208 22275.3251 29253.1642 0.99926 -0.03838 -0.00222 0.03837 0.99926 -0.00248 0.00231 0.00240 0.99999 1 0.00640 0.00389 0.00296 0.13343 0.08102 0.06169 15.74 33.00 36.76 46.68 54.31 64.17 92.34 92.96 99.83 118.44 148.79 177.21 187.43 199.35 219.58 221.37 243.39 257.17 274.56 282.33 288.52 297.31 324.39 340.91 369.31 395.93 399.10 414.73 448.06 452.58 490.80 528.19 581.08 616.56 621.88 639.02 650.65 672.45 697.86 713.17 732.00 772.42 785.02 813.57 851.92 874.10 908.21 942.69 945.97 980.17 990.52 1063.04 1113.02 1126.29 1139.87 1152.17 1184.84 1190.00 1212.44 1218.88 1233.96 1241.69 1264.24 1311.02 1312.63 1327.07 1365.75 1368.82 1374.77 1403.37 1427.34 1441.40 1477.32 1502.86 1509.22 1512.54 1543.36 1550.40 1560.13 1565.41 1581.62 1590.26 1610.98 1628.70 1640.83 1654.20 1664.71 1680.54 1691.96 1696.02 1721.16 1752.01 1762.46 1793.63 1801.93 1821.39 1858.96 1885.62 1891.27 1903.95 1914.17 1946.64 1958.92 1975.66 1983.45 1996.04 2004.80 2021.87 2036.31 2058.90 2063.42 2071.45 2080.24 2082.21 2109.34 2133.73 2158.50 2165.68 2178.52 2186.51 2199.81 2209.28 2212.92 2223.89 2225.84 2230.09 2232.86 2250.52 2257.45 2274.96 2276.57 2311.30 2328.49 2339.34 2346.26 2347.20 2350.96 2357.53 2360.89 2362.20 2366.66 2369.17 2381.59 2382.91 2394.23 2591.38 2641.12 2828.62 2873.87 2933.93 4584.22 4591.12 4596.74 4611.76 4613.05 4614.10 4619.44 4627.42 4630.30 4633.91 4647.71 4657.75 4659.06 4666.50 4667.52 4689.11 4691.20 4698.60 4713.55 4714.27 4724.54 4738.34 4745.75 4747.43 4753.31 4767.39 4877.05 4893.72 5449.92 5589.70 0.555036 0.584126 0.585070 0.491294 -2170.755755 -2170.726666 -2170.725721 -2170.819498 3.145296D-04 MUNgauss RevisionA2.1 retrievium 01-Apr-2021 DUDE Cc1cc2c(c(c1)Cl)NC(=O)[C@]23[C@H]4[C@@H]([C@@H](N3)CCSC)C(=O)N(C4=O)C5CCCCCC5 C16020424 RHF 6-31G(d) (6D,10F) C1 475.169642 |X|Y|Z| 101.392000 76.353029 44.736157 70.225722 23 6 7 20 3 |36.858105| |12.603533|36.858105| |7.552487|13.615240|36.858105| |5.035756|7.936687|13.890402|36.858105| |4.447751|6.873287|7.955429|13.690188|36.858105| |5.005119|7.881936|6.852710|7.937214|13.901621|36.858105| |7.557967|13.772381|7.950629|6.915524|8.007026|13.694409|36.858105| |3.633874|4.737730|4.212224|4.752863|7.035206|10.930700|6.983399|448.794386| |3.366126|4.590477|5.332104|8.345474|13.676943|7.633418|5.124012|48.389218|53.358707| |3.103835|4.058885|5.097721|8.008600|8.356343|5.276505|4.119322|33.945262|19.075443|36.858105| |2.603291|3.237744|3.900309|5.372792|5.556685|4.042895|3.287574|28.400393|11.395378|15.947514|73.516695| |3.697847|4.923911|7.240363|12.550894|8.059534|5.189240|4.480657|30.318759|10.993850|12.251811|13.778912|36.858105| |3.234534|3.994888|5.470663|7.150238|5.362843|3.968162|3.601025|24.868139|7.518873|7.638096|11.392170|12.285809|36.858105| |2.975778|3.658307|4.678167|6.094669|5.192256|3.906281|3.449924|25.394464|7.724261|7.517925|11.832460|8.698223|17.599600|0.500000| |2.710971|3.183790|4.129630|4.950177|3.999166|3.133870|2.892384|20.686502|5.828096|5.942809|10.531126|7.772315|12.375624|0.239862|36.858105| |2.386584|2.775482|3.444816|4.123098|3.572426|2.851551|2.596179|19.528653|5.441639|5.495214|10.860358|6.022286|8.635110|0.219842|17.635092|0.500000| |2.755899|3.252734|4.223658|5.082771|4.116766|3.215077|2.958980|21.177375|6.019956|6.212231|11.012041|8.014528|7.711174|0.160493|12.252268|0.243067|36.858105| |2.499706|2.956179|3.686038|4.534844|3.970102|3.110202|2.788172|21.197564|6.204818|6.600400|13.444207|6.855184|6.317003|0.147594|8.931538|0.233286|17.577241|0.500000| |3.434849|4.269181|6.023204|7.710551|5.527904|4.097676|3.769644|25.251432|7.498656|7.545658|11.027988|13.145188|8.203492|0.163009|8.107418|0.165254|13.024043|0.250554|53.358707| |2.523238|2.839156|3.542515|3.885800|3.224788|2.674523|2.552958|18.005334|4.531251|4.194131|7.485334|5.115194|5.067941|0.113376|7.264062|0.166092|12.461994|0.247715|10.474734|36.858105| |2.402401|2.680157|3.223635|3.490817|3.021430|2.566920|2.451762|17.617694|4.248789|3.765667|6.752972|4.274494|3.871899|0.090996|4.809107|0.118884|7.516883|0.194950|8.466290|12.450658|36.858105| |2.087906|2.238763|2.593045|2.687050|2.373386|2.096431|2.048764|14.710361|3.280183|2.776023|4.985468|3.093645|2.947479|0.071560|3.549325|0.090996|4.594742|0.120571|5.474753|6.926238|10.483747|388.023441| |1.961137|2.093201|2.352045|2.431959|2.219928|2.001693|1.953488|14.341799|3.072628|2.520378|4.526288|2.698504|2.482822|0.061678|2.832970|0.073983|3.589099|0.099152|4.591242|4.564021|6.859188|74.910499|36.858105| |2.631291|2.951152|3.746539|4.068583|3.280700|2.712954|2.613748|18.032975|4.519340|4.144234|7.173684|5.369563|7.894602|0.171129|12.550292|0.250025|7.348383|0.155600|7.874725|6.497462|4.281000|24.805841|2.700597|36.858105| |2.305416|2.521353|3.081523|3.272475|2.741125|2.329113|2.259002|15.877399|3.802077|3.394336|6.066081|4.102708|5.337451|0.126753|7.881033|0.196964|5.912341|0.134858|6.203335|6.203325|4.169320|25.894126|2.741334|15.991340|73.516695| |3.016648|3.352329|4.325822|4.454354|3.470866|2.908867|2.878438|18.884529|4.545021|3.970218|6.498460|5.393752|8.073904|0.175312|8.077680|0.169896|5.566662|0.122046|7.250210|4.905735|3.586560|21.362598|2.417160|13.832518|14.847496|53.358707| |3.534825|4.153123|5.678494|6.095831|4.474823|3.612792|3.530754|22.511105|5.679908|4.937708|7.560746|7.304912|12.512408|0.251289|7.879315|0.164703|5.562356|0.124860|8.246111|4.415530|3.407780|19.640163|2.309623|8.295457|9.869574|18.836655|36.858105| |4.058879|4.716985|6.238359|6.061351|4.543493|3.845982|3.909487|23.573302|5.433205|4.344263|6.534912|5.988629|7.855773|0.193408|5.323566|0.122085|4.249106|0.100225|6.604164|3.544425|2.904088|17.233045|2.083279|5.553164|7.511492|11.390454|16.001417|73.516695| |2.862204|3.008180|3.663948|3.539284|2.867825|2.520569|2.570909|16.687130|3.691507|3.065932|5.070915|3.903792|5.044652|0.121979|5.025140|0.118341|3.998067|0.092420|5.328743|3.862267|3.010638|19.155312|2.193061|7.530923|11.613206|17.574272|7.636895|11.882330|36.858105| |2.389327|2.505010|2.932620|2.916410|2.480502|2.207184|2.219162|15.082310|3.278555|2.702733|4.606205|3.226254|4.181290|0.109472|4.275492|0.109651|3.350568|0.081207|4.303823|3.232334|2.582201|16.798835|1.951145|6.049124|10.507167|10.553845|5.550762|9.006811|12.423655|36.858105| |2.179909|2.216981|2.506643|2.437319|2.118989|1.935923|1.974593|13.441178|2.780137|2.234300|3.816331|2.600528|3.157129|0.083884|3.195929|0.083462|2.676584|0.066262|3.501258|2.656064|2.212136|14.883108|1.759485|4.147618|7.534178|6.712291|3.974227|6.914089|7.339441|12.418842|36.858105| |2.020334|2.031609|2.284041|2.209388|1.926752|1.768434|1.809372|12.353284|2.534708|2.039578|3.510550|2.362129|2.771618|0.072389|2.913184|0.076127|2.543728|0.063079|3.290991|2.636934|2.222181|15.476905|1.814086|3.774315|7.281222|5.697278|3.344375|5.698067|5.869055|7.406080|12.407473|36.858105| |2.164868|2.130824|2.385603|2.248835|1.942581|1.797385|1.868532|12.453211|2.515720|2.008457|3.415071|2.359009|2.679856|0.068579|2.787784|0.071153|2.527829|0.062056|3.348811|2.676658|2.291091|16.200960|1.900514|3.549687|6.691058|5.446243|3.254778|5.629998|5.615911|5.602394|7.316236|12.392480|36.858105| |2.602267|2.547326|2.909817|2.673957|2.246270|2.065998|2.173989|13.993432|2.856494|2.285708|3.814006|2.778353|3.139581|0.078050|3.204917|0.078877|2.925830|0.070018|3.983222|3.089541|2.608274|18.028474|2.095546|4.138966|7.415928|6.770600|3.986708|6.929738|7.457775|5.878459|6.295829|7.288713|12.398326|36.858105| |2.750299|2.805073|3.359647|3.163080|2.581604|2.303897|2.381366|15.368533|3.312222|2.731093|4.552349|3.438699|4.044097|0.096587|4.291243|0.101574|3.800147|0.087542|5.047236|4.034014|3.195659|21.327749|2.387471|6.147646|10.848505|10.466590|5.314816|8.479134|12.401859|7.300146|6.066669|6.255487|7.308152|12.403929|36.858105| |17.548368|8.836224|6.779535|4.624784|3.981123|4.273136|5.838745|25.763123|4.245863|2.956440|4.464596|3.562252|3.102364|0.077802|2.686063|0.065299|2.798279|0.069966|4.753975|2.631041|2.540858|15.863679|2.102203|2.635654|4.147686|4.065074|3.384270|6.660276|2.856972|2.357170|2.161595|2.040699|2.223787|2.701477|2.844483|0.500000| |17.581649|8.835383|5.565292|4.182149|3.980137|4.745628|7.255741|29.553968|4.197862|2.788295|4.220958|3.172537|2.794797|0.072990|2.379197|0.059244|2.422539|0.062181|4.012511|2.231041|2.155517|13.486971|1.810853|2.299188|3.631296|3.522628|2.985380|6.011094|2.474685|2.121350|1.961492|1.825924|1.945915|2.288572|2.384432|0.301902|0.500000| |17.549585|8.847599|6.661374|4.601521|3.988419|4.312946|5.937602|26.009259|4.237865|2.931248|4.420421|3.524521|3.247381|0.083526|2.707869|0.066249|2.671053|0.066827|4.417771|2.455533|2.291007|14.314520|1.863826|2.696839|4.198645|4.329446|3.723598|7.945819|3.105667|2.583463|2.376882|2.176119|2.339838|2.836209|2.943964|0.302098|0.301808|0.500000| |7.016379|8.883525|17.750249|8.966436|5.653763|4.944049|5.654416|27.329905|5.885189|4.435877|6.332031|6.527856|5.487228|0.124872|4.329883|0.097782|4.400295|0.102545|8.358183|3.842440|3.410605|19.766209|2.460031|4.163203|6.055564|6.814535|6.341353|12.262911|4.304447|3.271056|2.782379|2.549974|2.716052|3.435428|4.032181|0.194498|0.140588|0.187479|0.500000| |6.983756|8.918467|5.643329|4.975642|5.695510|8.962000|17.736142|53.708487|5.628552|3.390185|5.004138|3.579169|3.003572|0.081045|2.487931|0.062980|2.539695|0.067146|4.248124|2.242037|2.178189|13.232119|1.796044|2.286247|3.574036|3.407583|2.983064|5.870617|2.289975|2.008578|1.818484|1.675172|1.733466|1.994738|2.142787|0.150260|0.222076|0.153925|0.124059|0.500000| |2.987633|3.911768|4.263579|5.885612|8.948150|6.698904|4.534304|52.473402|26.042819|9.183773|13.019949|5.741220|4.409341|0.129636|3.628292|0.097520|3.742024|0.110248|5.963629|2.926545|2.804114|15.741771|2.111313|2.885975|4.424596|3.913213|3.472242|5.972420|2.393417|2.170474|1.866578|1.709330|1.690560|1.894057|2.164849|0.077030|0.078089|0.076920|0.098827|0.106991|0.500000| |3.398152|4.221246|5.629061|6.997616|5.505438|4.185261|3.822102|26.127404|7.488093|6.982767|10.393384|9.282605|5.880614|0.129968|5.845920|0.132273|9.178508|0.220817|25.917789|6.766528|6.636560|29.575550|3.676228|4.494299|6.718428|5.697734|4.656866|7.101821|3.289892|2.722737|2.281103|2.173261|2.231282|2.624276|3.209193|0.097432|0.082197|0.086767|0.152989|0.088463|0.124320|0.500000| |2.695972|2.972282|3.742698|3.901020|3.145478|2.650718|2.599224|17.595705|4.246525|3.794505|6.501712|4.872675|4.950787|0.108997|6.568966|0.144052|8.846307|0.174379|9.670331|17.579533|8.866741|46.098687|4.255076|6.965495|11.842285|7.568982|4.748837|6.796143|4.483949|3.562661|2.925810|2.942604|3.067274|3.666492|4.990467|0.079146|0.065389|0.073606|0.118145|0.063445|0.075831|0.169418|0.500000| |2.235972|2.483017|3.019146|3.299669|2.823682|2.376873|2.264287|16.369020|4.030969|3.691243|6.854749|4.257276|4.515257|0.105754|6.760666|0.172074|8.896018|0.212519|7.643235|17.579324|8.866332|46.962483|4.273887|6.502723|12.589790|6.289765|3.995950|5.736476|3.739503|3.276398|2.695544|2.708338|2.688983|3.004344|3.897105|0.064228|0.055545|0.061111|0.090132|0.055918|0.073774|0.139119|0.303249|0.500000| |2.229632|2.511279|2.970958|3.307335|2.971310|2.518914|2.356621|17.671274|4.328638|3.864897|7.250213|4.084140|3.670110|0.088882|4.533039|0.118280|6.923085|0.213080|7.592486|8.813108|17.556264|56.456196|6.519838|3.849272|6.668987|4.377664|3.123222|4.767414|2.697070|2.376878|2.043194|2.035885|2.067009|2.310539|2.782935|0.064648|0.056251|0.058890|0.084783|0.058419|0.080727|0.169884|0.173545|0.210288|0.500000| |2.667260|2.991008|3.608668|3.850485|3.300000|2.814538|2.711662|19.013888|4.518940|3.905608|6.709520|4.528948|3.846457|0.089795|4.429042|0.106936|6.760112|0.170700|9.297469|8.792442|17.568777|56.647465|6.574252|3.928387|6.559174|4.734343|3.421731|5.291859|2.940625|2.480452|2.141283|2.137096|2.234662|2.585127|3.121518|0.079494|0.066133|0.069452|0.105843|0.066536|0.082110|0.226478|0.213266|0.173403|0.301203|0.500000| |1.808144|1.902302|2.110031|2.156323|1.979664|1.807573|1.777668|13.064018|2.726268|2.209858|3.967755|2.359522|2.209473|0.055435|2.500112|0.065847|3.041308|0.083613|3.901789|3.795005|5.099624|57.187279|17.603962|2.437237|4.459862|2.999087|2.090371|3.384041|2.039998|1.834687|1.677727|1.748442|1.838882|2.002531|2.240881|0.053867|0.046662|0.048019|0.061475|0.045805|0.052375|0.085106|0.101369|0.102037|0.134913|0.135629|0.500000| |1.870695|2.018714|2.260106|2.381531|2.212208|1.988224|1.912652|14.432715|3.121172|2.567100|4.700440|2.667235|2.443936|0.061413|2.793945|0.074378|3.547267|0.102179|4.468549|4.318139|6.419764|55.952672|17.591481|2.598583|4.670884|3.140646|2.228444|3.569193|2.073072|1.866914|1.677764|1.714579|1.772336|1.938408|2.209585|0.055084|0.048257|0.049306|0.064632|0.048890|0.060167|0.100155|0.107075|0.114679|0.196051|0.165432|0.300844|0.500000| |2.110697|2.247183|2.510067|2.565761|2.340529|2.126105|2.090601|15.144115|3.192399|2.580963|4.545267|2.784336|2.498336|0.061805|2.773941|0.071396|3.529903|0.096252|4.758581|4.322983|6.413604|55.940354|17.589664|2.628249|4.642622|3.272378|2.334483|3.781665|2.182911|1.919923|1.734367|1.777455|1.878863|2.097326|2.374224|0.063533|0.054143|0.055116|0.072789|0.053408|0.060756|0.108857|0.115003|0.107561|0.163806|0.197658|0.300840|0.299136|0.500000| |3.217896|3.324996|4.008590|3.715158|2.994631|2.675384|2.788340|17.500518|3.746996|3.024692|4.892603|3.866290|4.817057|0.118733|4.377851|0.103696|3.604238|0.084543|5.083502|3.402737|2.755543|17.477471|2.054635|5.720946|8.649165|12.805870|7.714908|14.461981|17.632370|8.926113|6.616236|5.111667|5.156212|7.091329|8.957150|0.087989|0.076419|0.100091|0.132670|0.069002|0.067341|0.088374|0.108268|0.089517|0.069033|0.076554|0.053161|0.054012|0.057527|0.500000| |2.413743|2.564001|2.985771|3.015313|2.595647|2.306285|2.298751|15.807512|3.445684|2.822633|4.799652|3.318687|4.419137|0.121417|4.267351|0.111794|3.258500|0.080263|4.239843|3.016761|2.438018|15.588311|1.842125|5.567337|9.072606|9.805751|5.884572|9.901842|8.962953|17.524160|8.871094|5.466482|4.359887|4.599831|5.440074|0.064970|0.059786|0.072775|0.090376|0.057729|0.063463|0.074445|0.089898|0.084320|0.063284|0.065459|0.047959|0.049420|0.050534|0.221775|0.500000| |2.189567|2.317468|2.716225|2.763814|2.374989|2.097039|2.079585|14.484936|3.206769|2.687834|4.688464|3.150917|4.095967|0.107452|4.523520|0.119996|3.500608|0.085529|4.294030|3.437794|2.702999|17.710503|2.027558|6.677832|13.077389|9.714154|4.992531|7.681857|8.862258|17.573271|8.888746|6.940326|5.086753|5.061632|6.511531|0.060390|0.054373|0.064617|0.083154|0.052327|0.059286|0.075535|0.103668|0.100320|0.069456|0.070601|0.052997|0.054091|0.054739|0.175096|0.303195|0.500000| |2.311747|2.312230|2.579974|2.457140|2.137110|1.977303|2.045131|13.679364|2.760412|2.182980|3.680088|2.549441|3.035966|0.080845|2.959900|0.076470|2.520811|0.062456|3.392191|2.478596|2.097303|14.062787|1.685712|3.699014|6.462165|6.205278|3.894593|7.150604|6.743873|8.774366|17.502842|8.766893|6.956687|6.443192|5.622546|0.063350|0.057753|0.071238|0.079822|0.052560|0.051469|0.061775|0.076026|0.068588|0.053786|0.057215|0.044661|0.044585|0.046576|0.196720|0.209425|0.173420|0.500000| |1.986913|2.030810|2.269139|2.237445|1.981968|1.818066|1.838870|12.805900|2.629808|2.104516|3.634107|2.390836|2.895902|0.078984|2.932447|0.078718|2.452159|0.061833|3.183233|2.411584|2.031138|13.688192|1.635725|3.667960|6.717151|5.669394|3.504911|6.116385|5.469521|8.978741|17.538925|8.888143|5.482168|4.655476|4.570308|0.054357|0.050220|0.059850|0.068589|0.047316|0.049500|0.058039|0.072196|0.068698|0.052806|0.054401|0.043448|0.043662|0.044635|0.140580|0.224056|0.213652|0.304896|0.500000| |1.838329|1.838125|2.033948|1.971411|1.745910|1.617707|1.654658|11.438970|2.304723|1.837480|3.179516|2.089520|2.414997|0.064026|2.521671|0.066954|2.230957|0.056200|2.894576|2.307350|1.984728|13.962644|1.662490|3.139544|6.032350|4.635994|2.840342|4.909038|4.443759|5.523564|8.848047|17.535447|8.917112|5.461852|4.635032|0.051465|0.046653|0.054908|0.062252|0.042911|0.043540|0.053728|0.070380|0.066060|0.051011|0.053096|0.044824|0.043820|0.045209|0.112884|0.125299|0.148051|0.200238|0.228544|0.500000| |1.944505|1.981186|2.247870|2.209608|1.927846|1.752701|1.774318|12.275457|2.567850|2.093393|3.646093|2.414257|2.852689|0.074170|3.115721|0.082276|2.711723|0.067293|3.412733|2.860617|2.378806|16.703526|1.925562|4.134359|8.481974|5.877533|3.351496|5.515224|5.699701|7.209818|8.899794|17.527804|8.820768|6.215404|6.220603|0.054730|0.048834|0.057430|0.069413|0.045465|0.048122|0.062427|0.088366|0.083540|0.060524|0.062531|0.051560|0.050597|0.051860|0.129520|0.146095|0.222777|0.174252|0.204236|0.305494|0.500000| |2.104746|2.039223|2.239112|2.091835|1.826933|1.712916|1.794724|11.944949|2.353070|1.852919|3.141513|2.153108|2.409343|0.062407|2.452982|0.063039|2.244812|0.055721|3.019949|2.348516|2.052530|14.528218|1.740727|3.010318|5.550205|4.638836|2.903694|5.167445|4.585995|4.631170|6.255898|8.841504|17.521520|8.919854|5.460472|0.059913|0.052996|0.063685|0.070233|0.046671|0.044161|0.056483|0.073741|0.065078|0.051849|0.056146|0.046992|0.045214|0.048082|0.125316|0.106684|0.114995|0.185449|0.139304|0.227585|0.175702|0.500000| |2.018165|1.989465|2.221440|2.108124|1.832130|1.695484|1.755521|11.824778|2.389142|1.912615|3.278446|2.226713|2.490731|0.063570|2.650607|0.068114|2.459603|0.060719|3.219383|2.675903|2.317370|16.860588|1.966255|3.336083|6.483493|4.871292|2.926766|4.980188|4.652982|4.585409|5.468184|8.905778|17.526870|8.850579|6.285300|0.058113|0.050668|0.059750|0.069872|0.045353|0.044773|0.060169|0.085274|0.075504|0.057903|0.062333|0.053340|0.050637|0.053639|0.116415|0.101900|0.123981|0.140014|0.124055|0.207448|0.226672|0.304932|0.500000| |2.825240|2.719146|3.067418|2.761402|2.320059|2.156702|2.299819|14.529926|2.907934|2.292657|3.780682|2.790641|3.144310|0.079039|3.069560|0.075545|2.778123|0.066891|3.885572|2.835987|2.421944|16.421285|1.950495|3.832660|6.572118|6.576429|4.108576|7.559773|7.265581|5.725540|6.279077|6.235258|8.818695|17.517673|8.871502|0.080529|0.068726|0.087821|0.100876|0.058771|0.053510|0.071204|0.091722|0.075650|0.060202|0.067594|0.051614|0.050461|0.054710|0.229172|0.131774|0.128886|0.204357|0.129820|0.137866|0.141643|0.226369|0.175567|0.500000| |2.610767|2.510651|2.834644|2.570648|2.167445|2.011094|2.134486|13.645762|2.742448|2.179362|3.631752|2.637753|2.873829|0.071127|2.945893|0.072477|2.801145|0.067283|3.860371|3.030361|2.629008|18.607583|2.174508|3.660548|6.582290|5.732202|3.520175|6.134248|5.555055|4.448135|4.655818|5.456744|8.922294|17.541809|8.876144|0.076939|0.063926|0.078266|0.093382|0.054695|0.050649|0.071940|0.100919|0.080979|0.064117|0.073159|0.058117|0.055227|0.060849|0.150586|0.102049|0.111862|0.132824|0.102880|0.124201|0.137241|0.208694|0.227218|0.305922|0.500000| |2.433588|2.508562|2.981878|2.892902|2.404235|2.136269|2.174481|14.469792|3.154213|2.634002|4.491827|3.236787|3.804487|0.091626|4.332271|0.105018|3.875317|0.089960|4.869941|4.330021|3.369997|23.156536|2.517245|6.417742|13.094667|9.158662|4.624634|7.131480|8.773800|6.709154|5.622747|6.392373|6.952185|8.760557|17.587273|0.070035|0.059437|0.071063|0.096591|0.054578|0.057711|0.086635|0.148983|0.121612|0.081311|0.088650|0.065949|0.064602|0.068280|0.174379|0.138108|0.192714|0.135073|0.123022|0.131936|0.201475|0.139966|0.186477|0.174089|0.200048|0.500000| 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