Version2.4 2021-05-26T10:54:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 28-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCOC(=O)C1=C(Nc2nc(nn2[C@H]1c3cc(c(c(c3)Br)OC)OCC)SCCC)C C40980623 RHF 6-31G(d) (6D,7F) CCCOC(=O)C1=C(Nc2nc(nn2[C@H]1c3cc(c(c(c3)Br)OC)OCC)SCCC)C C01[X(C22H29Br1N4O4S1)] 177 C1 557 CCCOC(=O)C1=C(C)Nc2n([C@H]1c1cc(Br)c(c(c1)OCC)OC)nc(n2)SCCC CCCOC(=O)C1=C(C)Nc2n([C@H]1c1cc(Br)c(c(c1)OCC)OC)nc(n2)SCCC CCCOC(=O)C1=C(C)Nc2nc(SCCC)nn2[C@H]1c3cc(Br)c(OC)c(OCC)c3 InChIKey=SCVHKYNGYRVSFG-SFHVURJKSA-N InChI=1S/C22H29BrN4O4S/c1-6-9-31-20(28)17-13(4)24-21-25-22(32-10-7-2)26-27(21)18(17)14-11-15(23)19(29-5)16(12-14)30-8-3/h11-12,18H,6-10H2,1-5H3,(H,24,25,26)/t18-/m0/s1 InChI=1/C22H29BrN4O4S/c1-6-9-31-20(28)17-13(4)24-21-25-22(32-10-7-2)26-27(21)18(17)14-11-15(23)19(29-5)16(12-14)30-8-3/h11-12,18H,6-10H2,1-5H3,(H,24,25,26)/t18-/m0/s1/f/h24H CCCOC(=O)C1=C(Nc2nc(nn2[C@H]1c3cc(c(c(c3)Br)OC)OCC)SCCC)C C01[X(C22H29Br1N4O4S1)] 177 C01 557 CCCOC(=O)C1=C(C)Nc2n([C@H]1c1cc(Br)c(c(c1)OCC)OC)nc(n2)SCCC CCCOC(=O)C1=C(C)N[C]2[N@]([C@H]1[C]1[CH][C]([C]([C]([CH]1)OCC)OC)Br)[N][C]([N]2)SCCC CCCOC(=O)C1=C(C)N[C]2[N][C]([N]N2[C@H]1[C]3[CH][C](Br)[C](OC)[C]([CH]3)OCC)SCCC InChIKey=SCVHKYNGYRVSFG-SFHVURJKSA-N InChI=1S/C22H29BrN4O4S/c1-6-9-31-20(28)17-13(4)24-21-25-22(32-10-7-2)26-27(21)18(17)14-11-15(23)19(29-5)16(12-14)30-8-3/h11-12,18H,6-10H2,1-5H3,(H,24,25,26)/t18-/m0/s1 InChI=1/C22H29BrN4O4S/c1-6-9-31-20(28)17-13(4)24-21-25-22(32-10-7-2)26-27(21)18(17)14-11-15(23)19(29-5)16(12-14)30-8-3/h11-12,18H,6-10H2,1-5H3,(H,24,25,26)/t18-/m0/s1/f/h24H 4058.8448506602 -4334.6192699 1-A 21806.0009 136 421 557 |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|A| -490.05675 -91.93839 -64.46777 -58.60716 -58.60523 -58.60512 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6.7708 6.9034 6.6270 6.6632 6.9458 6.9448 6.9117 6.9658 6.9991 7.0805 7.0907 6.9872 7.1820 7.1100 7.1997 7.2201 7.2489 7.4378 7.5335 9.6813 0.5870 0.5694 0.0621 1.6871 1.1700 2.2769 0.0427 0.2875 0.0187 0.0617 0.2761 0.4366 2.9897 3.4440 1.0635 1.5803 1.4813 2.2620 0.0460 0.1362 0.0346 1.0565 0.5711 4.0484 0.4321 0.5772 1.7814 1.1826 0.0502 2.4644 0.6389 0.2942 0.4891 1.2658 9.3674 2.3353 7.8172 2.6986 12.6282 11.5795 10.2766 4.6333 1.1173 2.8783 83.7491 9.8720 1.2129 2.9164 5.6094 5.1317 5.5267 4.4405 1.9010 5.6525 12.1027 20.0541 5.4761 30.2686 3.4747 3.5225 13.6340 5.5728 26.2065 35.9057 32.9644 16.0003 0.3417 6.3665 24.1243 0.0012 13.4070 4.0747 3.8121 18.9481 15.7665 1.8385 4.4682 26.3089 31.6634 6.6724 61.6015 0.1702 7.1502 71.1477 4.1995 140.5698 1.1531 6.5781 13.3798 37.7418 229.5381 19.2604 10.9060 124.5028 3.0126 4.4441 2.7222 24.5004 81.8644 0.7292 0.2682 33.7452 23.7695 0.4195 80.1765 35.8760 323.9834 471.4646 0.3916 0.2817 236.0190 71.0010 42.3089 200.4383 173.3039 3.7985 19.5725 145.9648 2.9316 5.0919 5.5528 119.2992 76.6641 74.9933 87.9726 6.4839 3.9494 13.4305 2.0013 0.4444 10.3178 5.6019 1.0378 6.9932 2.7101 2.5938 3.3209 2.5759 1.8732 5.8005 128.0189 65.1303 311.8918 68.7092 571.1543 21.4046 135.6102 414.1869 41.6050 38.3412 29.6745 17.1750 17.9937 28.8760 49.2481 2.2239 22.3764 7.6689 25.3043 23.5941 17.0973 57.0789 50.4100 60.0176 45.5932 40.5933 44.7483 38.8683 6.9120 47.5577 19.2008 20.6969 46.1015 4.1497 2.7987 4.1990 118.8907 2.3049 0.5534 0.7219 1.8394 0.3889 2.2456 0.4994 0.4095 0.3317 0.0671 0.1157 0.2899 0.8188 0.3197 0.5909 0.1709 0.1656 0.2008 0.7902 0.3112 0.1260 1.4277 1.0296 0.1187 2.2323 2.5041 0.6003 1.2021 0.0529 1.3131 0.7384 0.6298 1.1082 0.7197 4.6781 1.7086 0.5547 0.1842 2.4726 1.0191 1.2388 1.1426 1.0383 1.1026 3.0104 4.7077 2.9886 2.5966 2.9688 0.8707 0.9193 4.0228 4.6900 0.8769 0.8474 3.9115 2.7475 3.5146 0.0892 0.6668 6.8440 13.9715 2.0598 1.2485 6.0814 3.5414 0.3529 4.9137 13.0774 0.3300 5.1396 0.3918 8.3600 1.9407 7.4634 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0.7415 0.8081 0.5345 0.4995 0.7599 0.2898 0.4010 0.0516 0.0143 0.6966 0.2061 0.2056 0.0231 0.0239 0.8571 0.1137 0.7517 0.8550 0.0485 0.0312 0.8456 0.8347 0.8213 0.7749 0.8448 0.8508 0.7746 0.2882 0.8554 0.7437 0.8521 0.6854 0.8568 0.3667 0.3547 0.3060 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 6 6 6 8 6 8 6 6 7 6 7 6 7 7 6 1 6 6 6 6 6 6 35 8 6 8 6 6 16 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 15.99491 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 15.99491 12.00000 15.99491 12.00000 12.00000 31.97207 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 18678.8643 25594.3373 33773.2000 0.99889 0.04312 0.01885 -0.04180 0.99696 -0.06579 -0.02163 0.06493 0.99766 1 0.00464 0.00338 0.00256 0.09662 0.07051 0.05344 7.23 14.72 19.38 38.95 60.01 65.05 68.18 82.01 87.63 103.04 115.70 124.81 141.10 142.35 150.48 160.13 170.62 175.31 200.10 222.90 224.10 229.56 244.32 276.68 299.79 320.39 343.43 354.30 362.68 371.72 374.80 378.50 389.37 409.26 445.02 455.74 508.74 521.41 538.88 546.59 574.45 581.93 596.81 634.52 647.77 702.38 729.87 761.02 851.30 853.64 905.83 910.92 953.51 972.31 999.79 1057.90 1117.76 1140.39 1162.14 1181.94 1195.37 1201.61 1215.38 1247.20 1263.03 1276.54 1300.59 1310.66 1333.84 1363.04 1372.90 1401.14 1403.19 1430.81 1435.84 1445.74 1460.02 1547.38 1567.39 1591.13 1605.22 1606.61 1630.17 1650.56 1676.81 1695.23 1703.88 1727.90 1738.40 1757.81 1771.78 1797.89 1800.01 1845.91 1856.23 1870.10 1874.24 1907.36 1918.11 1958.92 1964.55 1971.95 2004.00 2010.79 2014.56 2025.59 2063.65 2064.31 2076.60 2081.45 2088.86 2098.11 2118.88 2145.83 2156.26 2197.37 2224.25 2248.44 2253.52 2256.23 2259.38 2280.30 2285.66 2307.31 2329.94 2339.50 2343.67 2348.33 2357.19 2358.70 2363.06 2364.69 2366.27 2366.35 2369.54 2380.40 2380.64 2380.91 2382.69 2403.12 2413.76 2424.13 2516.68 2550.06 2573.47 2594.23 2651.51 2817.04 4605.69 4609.68 4615.31 4619.57 4623.32 4629.45 4640.24 4659.40 4662.47 4662.86 4676.06 4689.11 4693.54 4700.25 4700.98 4703.61 4713.67 4723.17 4743.95 4744.81 4752.58 4765.93 4768.77 4774.05 4789.34 4805.00 4890.69 4924.33 5613.00 0.533468 0.566459 0.567403 0.461687 -4334.085802 -4334.052811 -4334.051867 -4334.157582 3.545698D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE CCCOC(=O)C1=C(Nc2nc(nn2[C@H]1c3cc(c(c(c3)Br)OC)OCC)SCCC)C C40980623 RHF 6-31G(d) (6D,10F) C1 524.109289 |X|Y|Z| 107.317754 86.251519 53.386072 79.059749 15 6 7 11 4 |36.858105| |12.462915|36.858105| |7.559036|12.557603|36.858105| |5.082138|8.013853|13.355218|73.516695| |3.923443|5.266502|8.117351|25.590923|36.858105| |3.752804|4.633703|7.249420|15.339374|15.948170|73.516695| |3.114715|4.023322|5.166469|14.279480|12.890313|14.467576|36.858105| |2.959616|3.855685|4.478222|11.968916|7.603448|9.484838|14.151915|36.858105| |2.442176|3.026953|3.381706|8.045880|5.074576|7.216522|8.072679|13.789082|53.358707| |2.185112|2.624792|2.985532|6.775266|4.520300|6.927333|6.928115|7.995466|19.009927|36.858105| |1.906229|2.234478|2.484081|5.386533|3.467221|5.545761|4.714055|5.268931|10.822316|14.633443|53.358707| |1.814247|2.093737|2.363148|5.009268|3.307884|5.532741|4.322638|4.349097|7.615563|9.257978|19.068779|36.858105| |1.953961|2.261791|2.626519|5.599682|3.879687|6.654235|5.133141|4.682726|7.480359|8.760373|11.550104|14.728891|53.358707| |2.240361|2.670034|3.155552|7.101926|5.128888|8.255620|7.925541|6.987656|11.185725|14.490533|11.941439|9.218919|19.061942|53.358707| |2.593558|3.140750|3.937224|9.156792|7.627789|12.420222|12.457921|7.544967|9.062874|7.711186|7.266139|5.485990|10.435744|17.901260|36.858105| |2.574553|3.054622|3.897619|8.594886|7.200409|13.654505|8.903288|5.838327|7.043269|5.966698|6.236250|4.964758|9.583695|12.664799|17.654035|0.500000| |2.476851|2.927164|3.619199|7.896262|6.042648|10.743072|7.467374|5.406073|6.758787|5.532906|5.890017|4.586291|8.323177|10.552913|12.471885|0.248563|36.858105| |2.375423|2.710506|3.367502|6.816648|5.037638|10.194566|5.278612|4.001494|5.019505|4.076780|4.685838|3.788750|6.759283|7.371653|7.556641|0.206858|13.715769|36.858105| |2.198871|2.449226|2.943125|5.725055|3.917166|7.721388|3.986368|3.255608|4.166420|3.309690|3.966327|3.174071|5.303768|5.533134|5.009921|0.134291|7.905597|13.768210|36.858105| |2.118938|2.368066|2.759347|5.412200|3.550733|6.577530|3.718365|3.189958|4.158190|3.242038|3.922763|3.057248|4.884234|5.153564|4.411554|0.111159|6.825858|7.905707|13.603175|36.858105| |2.192736|2.512303|2.899669|5.924420|3.871458|6.750202|4.309825|3.791266|5.012535|3.859598|4.565019|3.444924|5.413662|5.984997|5.017499|0.117184|7.980847|6.933372|7.972908|13.800018|36.858105| |2.367707|2.796571|3.301413|7.155384|4.932705|8.205233|6.090703|5.143548|6.748357|5.255704|5.765650|4.266240|6.965314|8.518356|7.535353|0.156059|13.805130|7.956029|6.853515|7.880511|13.752293|36.858105| |1.987820|2.249167|2.468775|4.947153|3.021709|5.126126|3.330772|3.189542|4.355437|3.231170|3.999083|2.908035|4.244316|4.592716|3.556611|0.085100|4.612730|4.103093|4.597865|6.712118|10.051166|6.715673|2539.412838| |1.942517|2.122754|2.411115|4.590289|2.897057|5.364428|2.965568|2.631763|3.459116|2.661942|3.311892|2.564886|3.956747|4.082318|3.361303|0.086990|4.601262|5.232724|7.996617|14.111953|7.997300|5.213977|212.271533|73.516695| |1.705239|1.848870|2.073518|3.942288|2.475897|4.569679|2.578315|2.332830|3.148653|2.470787|3.168258|2.497589|3.793032|3.758692|2.959767|0.077685|3.852228|4.331897|6.041944|8.148044|5.864223|4.252933|177.100119|24.007059|36.858105| |2.051130|2.222604|2.636234|4.930196|3.268121|6.584783|3.211380|2.689139|3.455778|2.727251|3.358071|2.698978|4.396237|4.439461|3.859583|0.108852|5.194546|7.888801|14.171648|8.203574|5.314952|4.622004|125.765506|12.747752|6.012260|73.516695| |2.053207|2.197017|2.631552|4.823177|3.211570|6.731134|3.071783|2.552163|3.255977|2.574758|3.183780|2.578573|4.221288|4.214954|3.675003|0.109992|4.507208|6.710433|7.985292|5.243379|3.991780|3.789649|100.251400|8.342070|4.242866|24.051169|36.858105| |1.854933|1.940057|2.261943|4.054165|2.598537|5.311417|2.477356|2.126703|2.738029|2.141756|2.700759|2.167856|3.429635|3.391262|2.843954|0.083938|3.340633|4.407036|5.237218|4.092218|3.207710|2.980066|86.900894|7.229065|3.888640|14.370780|12.575594|36.858105| |1.557769|1.757236|1.948744|3.984996|2.553640|4.385133|3.099226|3.111325|5.110728|5.053223|9.410021|10.830121|9.733547|6.873662|3.729957|0.099467|3.387378|3.031508|2.680018|2.597224|2.818054|3.230249|84.633510|4.030752|2.287268|4.227373|2.296876|1.991219|388.023441| |1.474640|1.662904|1.801676|3.677267|2.281356|3.836877|2.750085|2.909216|4.913831|4.505140|8.820088|6.887881|6.465914|5.456092|3.076432|0.080376|2.805072|2.482625|2.244618|2.237539|2.469213|2.794296|78.264586|3.543019|2.002762|3.562330|1.922242|1.697375|74.374955|36.858105| |1.320152|1.468312|1.578141|3.159597|1.938186|3.304389|2.261856|2.359286|3.811228|3.314886|5.807910|4.600204|4.894475|4.190651|2.503262|0.066722|2.341085|2.137533|1.974906|1.969910|2.128670|2.334492|68.642178|3.185823|1.828081|3.202325|1.739222|1.563817|49.479852|12.464751|36.858105| |1.253471|1.389740|1.473061|2.933874|1.768298|2.993771|2.042105|2.167047|3.480851|2.892104|4.903011|3.599376|3.968269|3.577018|2.191464|0.058136|2.057291|1.876823|1.750611|1.764462|1.913705|2.080875|63.268069|2.884921|1.648570|2.850873|1.545547|1.402408|32.745193|7.536152|12.460587|36.858105| |3.310015|4.501155|4.740625|12.391739|6.122892|7.879175|7.435398|12.604019|10.751588|5.163321|5.419474|3.322711|4.675182|6.141489|4.803148|0.114602|3.927730|3.153359|2.701976|2.692855|3.134958|3.910173|95.752737|4.099150|2.049871|4.097613|2.200675|1.883407|18.222394|2.496831|2.082723|1.966441|36.858105| |17.541970|8.763818|6.836283|8.287650|3.761061|6.596697|2.982158|2.803594|3.177931|2.117352|2.528463|1.781606|2.617834|2.975760|2.523558|0.070997|2.378990|2.309863|2.123750|2.016349|2.064769|2.234452|63.085955|3.285233|1.636095|3.557636|2.037367|1.847247|10.938259|1.449743|1.302023|1.233729|3.071557|0.500000| |17.544172|8.765870|6.837352|8.292847|3.767042|6.608258|2.986132|2.786060|3.159327|2.103563|2.504704|1.767335|2.605870|2.967607|2.544553|0.070148|2.498522|2.436463|2.292805|2.213244|2.262127|2.399680|69.752298|3.638296|1.781609|3.834205|2.153000|1.956890|10.835569|1.434680|1.288324|1.220438|3.024123|0.301513|0.500000| |17.567757|8.799111|5.501195|7.464775|3.319670|5.576393|2.761045|2.699533|3.092871|2.026647|2.433299|1.692051|2.450331|2.788333|2.320451|0.063528|2.221747|2.120906|1.982963|1.934958|2.012503|2.157402|63.442563|3.185294|1.586092|3.298512|1.847080|1.685588|10.420881|1.402622|1.261509|1.206435|3.080635|0.301945|0.301970|0.500000| |8.832589|17.540102|8.923859|13.033103|4.934064|7.524478|3.971306|3.977194|4.261830|2.675887|3.110855|2.116469|3.074558|3.634061|3.063220|0.082897|2.767974|2.532107|2.268006|2.193009|2.344418|2.639761|71.960710|3.491771|1.733759|3.656934|2.041629|1.806227|12.629305|1.696585|1.495434|1.421551|4.901131|0.210230|0.172637|0.212269|0.500000| |8.832084|17.544207|8.929419|13.055295|4.948511|7.543460|3.981055|3.927869|4.217467|2.648447|3.067226|2.092890|3.055565|3.619596|3.101163|0.081572|2.960751|2.701170|2.476595|2.452187|2.644597|2.923576|82.307286|3.922745|1.908982|3.958126|2.157702|1.908012|12.473378|1.672741|1.474919|1.401440|4.715288|0.172613|0.210314|0.212203|0.303150|0.500000| |6.835751|8.806726|17.618153|16.521807|7.294225|13.090818|4.765385|4.014100|4.255441|2.828108|3.227632|2.290174|3.497794|4.145472|3.860169|0.106095|3.771777|3.624701|3.236057|3.023134|3.114542|3.454379|89.139776|4.711319|2.237816|5.180579|2.892420|2.480650|13.529231|1.745445|1.536397|1.429984|4.057343|0.168121|0.202351|0.139994|0.173710|0.212133|0.500000| |6.829337|8.804324|17.611933|16.509919|7.260951|13.012677|4.754101|4.070716|4.304263|2.863625|3.280587|2.322528|3.528581|4.170342|3.790919|0.109166|3.397125|3.245165|2.808028|2.573210|2.653638|3.011769|76.397173|4.013294|1.968942|4.554849|2.629619|2.268455|13.735580|1.773395|1.560255|1.451913|4.177615|0.202107|0.167938|0.139916|0.212089|0.173742|0.302431|0.500000| |2.315278|2.841636|3.056643|7.023578|4.174268|6.077117|5.848417|9.199803|26.098500|9.435307|9.894470|4.936882|6.186112|8.124068|4.945591|0.113989|3.972505|3.102128|2.660319|2.688855|3.204726|4.079038|99.670159|4.077608|2.112142|4.004982|2.128791|1.822464|25.209675|3.636467|2.829683|2.652594|7.520514|0.061419|0.060758|0.060763|0.082957|0.081354|0.078122|0.079592|0.500000| |2.385325|2.692048|3.392009|6.710429|5.022803|10.986913|5.011812|3.765921|4.687135|3.822072|4.447553|3.647999|6.570385|6.954318|7.084339|0.232700|8.965352|17.786211|8.921360|5.629512|4.988849|5.673437|113.451599|7.504713|3.668304|12.572419|7.481431|4.700767|21.114170|2.405932|2.087706|1.827781|3.004361|0.065552|0.067663|0.058804|0.070251|0.072866|0.100503|0.093997|0.081112|0.500000| |2.361793|2.831678|3.253819|7.248475|4.787728|7.482600|6.343006|6.003190|8.291940|6.118736|6.520750|4.488527|6.866031|8.821602|6.936082|0.140181|8.888294|5.641677|4.945143|5.639581|8.954146|17.755603|222.189327|7.513382|3.603245|6.520929|3.131278|2.552695|23.584712|2.978773|2.445780|2.203563|4.491336|0.061496|0.065650|0.060403|0.075377|0.083404|0.092065|0.081616|0.137984|0.124347|0.500000| |1.668420|1.802324|2.037555|3.860073|2.452246|4.602184|2.545897|2.278172|3.078032|2.451844|3.161890|2.544502|3.917394|3.794888|2.986218|0.080189|3.844710|4.547537|6.405744|7.202076|5.105479|3.993632|143.744694|16.428911|17.599935|12.583674|4.958236|4.583553|16.768155|2.024044|1.856139|1.657849|1.987386|0.044853|0.048297|0.042969|0.047106|0.051125|0.060891|0.054414|0.057163|0.109897|0.093341|0.500000| |1.649893|1.802648|2.006737|3.868857|2.424659|4.391197|2.589929|2.384546|3.286455|2.601659|3.380684|2.665165|3.982663|3.906646|2.983210|0.076982|3.844892|4.082811|5.265872|7.218463|6.106504|4.425880|201.843038|16.444231|17.578927|8.629002|3.637246|3.287005|17.465111|2.161445|1.969238|1.772901|2.086128|0.043901|0.047499|0.042838|0.047331|0.051910|0.059409|0.052809|0.061499|0.095558|0.106698|0.298425|0.500000| |1.622873|1.739310|1.926181|3.610313|2.227014|4.104225|2.286854|2.093538|2.816131|2.180075|2.812153|2.192174|3.276306|3.260633|2.557678|0.067648|3.207813|3.555092|4.706053|5.915935|4.630096|3.515167|153.932171|16.899509|17.638965|8.764501|3.711222|3.608757|14.466867|1.812215|1.673266|1.525155|1.875182|0.043221|0.047315|0.042160|0.045250|0.049990|0.057854|0.050832|0.053061|0.086374|0.085491|0.299526|0.299617|0.500000| |2.293460|2.450483|3.006663|5.415131|3.641317|7.999076|3.329253|2.708178|3.368722|2.619272|3.183277|2.537653|4.161600|4.289910|3.886835|0.118788|4.638515|6.826874|7.149964|4.823542|3.853866|3.792039|96.867828|7.492380|3.657847|16.535732|17.554777|8.842881|15.794743|1.876946|1.688454|1.509008|2.344611|0.063509|0.067170|0.056565|0.062630|0.066123|0.093311|0.084200|0.060913|0.227254|0.087644|0.112385|0.089004|0.090458|0.500000| |1.958272|2.110248|2.522986|4.701186|3.170978|6.599366|3.118690|2.591797|3.358185|2.719096|3.395447|2.819598|4.701544|4.536240|3.872891|0.119328|4.596878|6.783795|7.049476|4.745850|3.799474|3.746315|95.669483|7.352282|3.923631|16.519169|17.547810|8.848079|17.994914|2.067345|1.869089|1.641190|2.204029|0.054306|0.056283|0.049107|0.055208|0.057284|0.075297|0.070773|0.060813|0.229241|0.086714|0.129407|0.097150|0.094284|0.300897|0.500000| |1.696925|1.779336|2.046490|3.707902|2.362620|4.718810|2.305175|2.009117|2.628934|2.073793|2.652342|2.145061|3.361328|3.261397|2.663158|0.077605|3.132614|4.021857|4.867819|3.992562|3.127971|2.860156|86.505335|7.303208|4.202833|12.943157|8.860986|17.575571|14.265638|1.706861|1.584939|1.418120|1.779125|0.046805|0.049459|0.043200|0.046348|0.048912|0.061654|0.056744|0.048861|0.115580|0.068482|0.144690|0.097972|0.109125|0.173330|0.212221|0.500000| |1.901173|1.969302|2.280248|4.029189|2.538880|5.158067|2.386343|2.061874|2.634003|2.028487|2.547470|2.012794|3.146434|3.166133|2.667629|0.077448|3.146042|4.031367|4.903042|4.040863|3.159305|2.880961|87.421487|7.446721|3.884074|12.965039|8.865943|17.580712|13.092303|1.594937|1.470283|1.330244|1.850622|0.052314|0.056362|0.048015|0.050480|0.054075|0.070435|0.062988|0.048913|0.115318|0.068949|0.122074|0.089690|0.103402|0.212031|0.173426|0.300939|0.500000| |1.818696|1.884635|2.193428|3.889340|2.479428|5.102574|2.343753|2.019058|2.596319|2.028184|2.568467|2.061723|3.245762|3.197680|2.663979|0.080058|3.007796|3.850266|4.241389|3.387714|2.779611|2.656494|76.703368|5.893882|3.195215|10.251288|8.879974|17.553674|13.575312|1.629718|1.509222|1.355099|1.799949|0.050851|0.053117|0.045903|0.048969|0.050979|0.066293|0.062045|0.048201|0.118569|0.064315|0.102211|0.077462|0.083342|0.212508|0.212552|0.300494|0.300288|0.500000| |1.517794|1.718593|1.854235|3.801305|2.341977|3.901702|2.833349|3.059637|5.235008|4.711619|9.341872|6.521933|6.201642|5.482763|3.087323|0.081021|2.728077|2.398899|2.145271|2.123794|2.346147|2.687831|74.107216|3.355433|1.872570|3.406495|1.853479|1.635715|56.421935|17.622528|8.805572|6.855540|2.649369|0.041544|0.040733|0.040163|0.049162|0.047840|0.049389|0.050874|0.110270|0.065150|0.080223|0.052461|0.055555|0.047268|0.050828|0.055174|0.045329|0.042825|0.043854|0.500000| |1.496434|1.694309|1.827319|3.749560|2.313080|3.852130|2.811678|3.021063|5.202199|4.697559|9.221255|6.544068|6.257275|5.504367|3.112763|0.079304|2.896713|2.522827|2.303088|2.343929|2.638405|2.981373|85.558432|3.713068|2.096494|3.618913|1.923045|1.696591|56.432523|17.618281|8.806714|6.851871|2.598357|0.040583|0.040524|0.039617|0.047872|0.047776|0.049323|0.049449|0.108301|0.066678|0.090206|0.058141|0.063589|0.052639|0.052106|0.056886|0.047429|0.044553|0.044912|0.302574|0.500000| |1.283082|1.421347|1.530708|3.049398|1.875452|3.221047|2.173600|2.237469|3.566419|3.097764|5.271073|4.308334|4.744959|4.016141|2.433649|0.064827|2.333786|2.153978|2.017482|2.024596|2.174479|2.346006|70.557862|3.297854|1.918967|3.285577|1.773688|1.601797|46.766662|8.854534|17.540946|8.852314|1.971494|0.035098|0.034969|0.034032|0.039946|0.039758|0.041712|0.041944|0.072647|0.058111|0.067630|0.054257|0.057881|0.048769|0.047386|0.053010|0.045461|0.041764|0.042776|0.173333|0.211398|0.500000| |1.296413|1.435518|1.546383|3.076933|1.890756|3.249967|2.183564|2.252851|3.576609|3.101698|5.292959|4.302723|4.721595|4.008075|2.421664|0.065760|2.243331|2.075806|1.909412|1.878213|2.002566|2.195243|63.732041|3.040629|1.743499|3.125088|1.719113|1.550676|46.788821|8.854294|17.538968|8.852538|1.993266|0.035712|0.035103|0.034374|0.040683|0.039794|0.041753|0.042801|0.073220|0.057103|0.063116|0.049575|0.051649|0.044422|0.046429|0.051631|0.043614|0.040341|0.041869|0.211235|0.173336|0.303501|0.500000| |1.274292|1.415245|1.493846|2.979156|1.785249|3.006568|2.061365|2.211734|3.561495|2.917875|4.933759|3.506199|3.869402|3.553960|2.179309|0.057965|2.012724|1.828501|1.692714|1.697846|1.844059|2.022643|60.705775|2.767550|1.566467|2.754900|1.501487|1.360824|30.290951|6.830661|8.770185|17.542879|2.026270|0.034899|0.034295|0.034132|0.040476|0.039547|0.040017|0.040996|0.076472|0.049717|0.059769|0.043711|0.046465|0.040317|0.041017|0.044203|0.038004|0.035923|0.036653|0.203415|0.168609|0.172883|0.210694|0.500000| |1.261549|1.401581|1.479617|2.954001|1.772277|2.983493|2.052939|2.197103|3.551421|2.914621|4.915996|3.509299|3.882349|3.559655|2.188107|0.057319|2.077752|1.881633|1.767178|1.804450|1.976649|2.139590|66.560600|2.958695|1.690962|2.863739|1.537693|1.395221|30.285156|6.831002|8.770626|17.543674|2.003284|0.034321|0.034170|0.033795|0.039746|0.039513|0.039981|0.040237|0.075816|0.050382|0.063588|0.046843|0.050880|0.043506|0.041677|0.045065|0.039216|0.036924|0.037261|0.168764|0.203306|0.210686|0.172888|0.301475|0.500000| |1.171780|1.289576|1.363218|2.689408|1.615245|2.754620|1.839142|1.932914|3.043021|2.498365|4.100207|3.061010|3.491512|3.152363|1.971114|0.052744|1.868566|1.728226|1.626288|1.637169|1.756450|1.885859|58.317719|2.702395|1.554080|2.675743|1.456000|1.333039|27.623629|5.484700|8.792176|17.554978|1.769082|0.032099|0.031757|0.031385|0.036578|0.036077|0.036870|0.037417|0.064020|0.046936|0.054945|0.043530|0.046297|0.040180|0.039394|0.042919|0.037573|0.035141|0.035881|0.140206|0.140173|0.212813|0.212812|0.301670|0.301678|0.500000| |3.657618|5.147224|5.206119|13.487423|6.045804|7.830242|6.559562|8.869570|8.258691|4.340970|4.689566|2.962269|4.214449|5.399243|4.395762|0.104947|3.869569|3.142746|2.753794|2.793184|3.271938|3.989540|101.783283|4.280102|2.109150|4.172795|2.215663|1.904312|16.609886|2.270044|1.921581|1.821604|17.647797|0.091008|0.093549|0.094710|0.149487|0.161512|0.125683|0.119836|0.159707|0.081920|0.126974|0.056203|0.059342|0.053870|0.065809|0.060699|0.049830|0.052543|0.050268|0.065837|0.066109|0.051092|0.050963|0.051717|0.051853|0.045853|0.500000| |2.878210|3.723217|3.766585|8.891506|4.581480|6.345815|5.583158|8.903048|10.659216|5.033675|5.554746|3.286101|4.432554|5.626015|4.090553|0.098503|3.433234|2.791324|2.438672|2.464333|2.877145|3.512729|91.188557|3.805463|1.932277|3.732544|1.999077|1.731263|18.291237|2.595358|2.158568|2.069065|17.587594|0.074638|0.073408|0.076334|0.113395|0.109220|0.092087|0.094614|0.250457|0.073734|0.114162|0.051926|0.055171|0.049326|0.058393|0.055880|0.045853|0.047212|0.046006|0.077398|0.075760|0.056317|0.056972|0.059707|0.058951|0.051426|0.301330|0.500000| 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