Version2.1 2020-12-28T20:05:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)c1cc(cc(c1O)C(C)(C)C)SCC(=O)NCCC2=c3cc(ccc3=[NH+]C2)OC C63136742 RHF 6-31G(d) (6D,7F) CC(C)(C)c1cc(cc(c1O)C(C)(C)C)SCC(=O)NCCC2=c3cc(ccc3=[NH+]C2)OC C01[X(C27H37N2O3S1)] 204 C1 573 COc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CSc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C COc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CSc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C COC1=CC2=C(CCNC(=O)CSc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)C[NH+]=C2C=C1 InChIKey=OLEVYJQLZKSNMG-UHFFFAOYSA-O InChI=1S/C27H36N2O3S/c1-26(2,3)21-13-19(14-22(25(21)31)27(4,5)6)33-16-24(30)28-11-10-17-15-29-23-9-8-18(32-7)12-20(17)23/h8-9,12-14,31H,10-11,15-16H2,1-7H3,(H,28,30)/p+1 InChI=1/C27H36N2O3S/c1-26(2,3)21-13-19(14-22(25(21)31)27(4,5)6)33-16-24(30)28-11-10-17-15-29-23-9-8-18(32-7)12-20(17)23/h8-9,12-14,31H,10-11,15-16H2,1-7H3,(H,28,30)/p+1/fC27H37N2O3S/h28-29H/q+1 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)SCC(=O)NCCC2=c3cc(ccc3=[NH+]C2)OC C01[X(C27H37N2O3S1)] 204 C01 573 COc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CSc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C CO[C]1[CH]=[CH][C]2[C]([CH]=1)=C(CCNC(=O)CS[C]1[CH][C]([C]([C]([CH]1)C(C)(C)C)O)C(C)(C)C)C[NH]2 COC1=CC2=C(CCNC(=O)CS[C]3[CH][C]([C](O)[C]([CH]3)C(C)(C)C)C(C)(C)C)CN[C]2C=C1 InChIKey=MNONNHVGUWYTRM-UHFFFAOYSA-N InChI=1S/C27H37N2O3S/c1-26(2,3)21-13-19(14-22(25(21)31)27(4,5)6)33-16-24(30)28-11-10-17-15-29-23-9-8-18(32-7)12-20(17)23/h8-9,12-14,29,31H,10-11,15-16H2,1-7H3,(H,28,30) InChI=1/C27H37N2O3S/c1-26(2,3)21-13-19(14-22(25(21)31)27(4,5)6)33-16-24(30)28-11-10-17-15-29-23-9-8-18(32-7)12-20(17)23/h8-9,12-14,29,31H,10-11,15-16H2,1-7H3,(H,28,30)/f/h28H 3426.7041587341 -1774.7776664 1-A 29633.7152 126 447 573 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807.7151 810.3546 829.6470 864.7578 878.3040 880.7723 886.6229 928.7477 965.0574 967.7930 969.1957 1003.0728 1005.7208 1010.6763 1013.2558 1016.6080 1016.7247 1020.5521 1020.7299 1032.1118 1045.6992 1055.5238 1060.0219 1072.9898 1100.6196 1119.1026 1136.8456 1138.2361 1142.8262 1144.3047 1156.2855 1158.6033 1180.3332 1191.5052 1211.6059 1246.8263 1253.5308 1264.3087 1265.2031 1280.8966 1290.1357 1301.6496 1306.5654 1325.4542 1335.9269 1343.7214 1343.9529 1350.7571 1360.6560 1372.1951 1391.7508 1397.6761 1402.7330 1407.9284 1413.5899 1417.2200 1419.7047 1444.2125 1451.7174 1467.0378 1479.2392 1520.0335 1553.0166 1553.8859 1554.7300 1559.3076 1566.7212 1568.1434 1572.0439 1581.9263 1590.9110 1593.5958 1593.8304 1598.7115 1613.7907 1629.6795 1629.9373 1631.6229 1635.9577 1637.4835 1642.5093 1644.8405 1645.1885 1645.7498 1647.3659 1648.3810 1652.2964 1662.1478 1663.8200 1664.1335 1671.8527 1673.3320 1677.4895 1708.9589 1747.1997 1773.9513 1781.9000 1789.0496 1851.9657 1925.8745 3201.0212 3204.2413 3211.0625 3212.8776 3214.7630 3223.0661 3228.8019 3232.1471 3244.2085 3252.9706 3254.7053 3258.3910 3260.4417 3266.2359 3274.0431 3274.3150 3276.0343 3278.1897 3279.2203 3284.6029 3284.7396 3287.7709 3298.1219 3306.8931 3318.7304 3336.5900 3337.0188 3339.6334 3363.2972 3399.6948 3414.1563 3418.2127 3435.5200 3440.8655 3873.3926 3877.2759 4219.2863 4.9479 4.8831 5.3453 5.9475 3.4271 4.1987 4.2975 4.5645 2.6952 3.7512 4.4446 3.6591 5.5619 3.5592 2.9506 3.2369 3.5450 4.5489 1.1661 3.1167 2.2516 2.9317 1.3525 1.3538 1.2482 1.1496 2.3641 2.2637 1.9932 2.7793 2.3945 3.5230 2.9060 2.8667 3.2982 4.7216 4.2208 2.0700 1.1401 1.0821 4.8739 2.2295 3.0492 3.3248 4.1110 2.0260 3.5755 5.5695 2.9346 4.0907 1.2796 3.3983 1.1470 3.9877 2.9963 2.6535 2.6130 4.1163 3.8987 3.5932 4.1256 3.6472 4.4455 3.5082 4.7796 6.9921 4.7833 4.7513 4.7719 1.4279 6.6670 3.2045 3.7384 5.1802 1.6170 4.7878 2.5108 2.5548 2.9967 1.7969 1.8643 1.7878 1.7937 1.8095 1.7654 1.8404 1.4525 1.3508 1.1905 1.1907 2.4779 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7747.5792 48067.8413 51032.2437 1.00000 -0.00253 -0.00181 0.00249 0.99973 -0.02315 0.00187 0.02315 0.99973 1 0.01118 0.00180 0.00170 0.23294 0.03755 0.03536 10.21 14.20 23.27 44.14 58.20 64.63 78.43 94.08 103.79 127.10 133.61 145.01 161.48 212.17 221.00 224.55 243.38 261.69 266.61 278.25 286.45 315.40 331.80 342.33 358.20 377.07 392.74 409.87 416.19 423.37 436.03 454.21 488.77 493.29 500.29 540.87 546.26 555.38 571.79 586.00 593.60 612.29 616.29 628.47 635.57 654.47 655.85 676.21 684.52 728.17 741.25 745.48 773.03 798.70 817.48 828.68 847.06 890.08 932.90 952.38 965.72 984.74 988.79 1047.47 1110.59 1129.96 1146.61 1162.12 1165.92 1193.68 1244.19 1263.68 1267.23 1275.65 1336.26 1388.50 1392.44 1394.46 1443.20 1447.01 1454.14 1457.85 1462.67 1462.84 1468.35 1468.60 1484.98 1504.53 1518.66 1525.14 1543.79 1583.55 1610.14 1635.67 1637.67 1644.27 1646.40 1663.64 1666.97 1698.24 1714.31 1743.23 1793.90 1803.55 1819.06 1820.35 1842.92 1856.22 1872.78 1879.86 1907.03 1922.10 1933.32 1933.65 1943.44 1957.68 1974.28 2002.42 2010.94 2018.22 2025.69 2033.84 2039.06 2042.64 2077.90 2088.70 2110.74 2128.30 2186.99 2234.44 2235.70 2236.91 2243.50 2254.16 2256.21 2261.82 2276.04 2288.97 2292.83 2293.17 2300.19 2321.88 2344.75 2345.12 2347.54 2353.78 2355.97 2363.20 2366.56 2367.06 2367.87 2370.19 2371.65 2377.29 2391.46 2393.87 2394.32 2405.42 2407.55 2413.53 2458.81 2513.83 2552.32 2563.76 2574.04 2664.57 2770.90 4605.56 4610.19 4620.00 4622.61 4625.33 4637.27 4645.53 4650.34 4667.69 4680.30 4682.79 4688.10 4691.05 4699.38 4710.62 4711.01 4713.48 4716.58 4718.07 4725.81 4726.01 4730.37 4745.26 4757.88 4774.91 4800.61 4801.23 4804.99 4839.03 4891.40 4912.21 4918.05 4942.95 4950.64 5572.95 5578.54 6070.61 0.644358 0.677239 0.678183 0.576504 -1774.133308 -1774.100428 -1774.099484 -1774.201162 3.410297D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE CC(C)(C)c1cc(cc(c1O)C(C)(C)C)SCC(=O)NCCC2=c3cc(ccc3=[NH+]C2)OC C63136742 RHF 6-31G(d) (6D,10F) C1 469.252490 |X|Y|Z| 157.613396 57.051155 39.198995 70.638939 21 6 7 16 18 2 1 |36.858105| |12.366840|36.858105| |7.742339|12.313893|36.858105| |7.740355|12.314849|7.455525|36.858105| |7.447511|12.281133|7.457186|7.456502|36.858105| |6.725705|7.460114|5.279407|5.273387|13.700859|36.858105| |4.526680|4.962466|3.988120|3.985021|7.865980|13.791716|36.858105| |3.727478|4.378372|3.722913|3.716280|6.803750|7.961390|13.737622|36.858105| |3.790670|4.877663|4.241851|4.236164|7.702885|6.801237|7.865041|13.760767|36.858105| |4.898161|7.336366|5.986622|5.986873|13.558914|8.001100|6.919965|8.008554|13.527892|36.858105| |4.267434|6.448266|6.071229|6.084167|7.926079|5.240684|4.644365|5.313629|8.166959|14.110261|73.516695| |2.955563|3.676444|3.428110|3.421882|4.889876|4.380710|4.957662|7.458818|12.308760|7.361898|12.038583|36.858105| |2.518800|2.954346|2.760180|2.754937|3.794264|3.725615|4.515484|6.715114|7.465062|4.906455|7.822715|12.372053|36.858105| |2.771049|3.445726|3.483501|3.153646|4.274356|3.736144|3.992162|5.285387|7.496493|6.050085|11.427849|12.349300|7.699796|36.858105| |2.765525|3.437980|3.151739|3.468168|4.267214|3.730456|3.990351|5.279856|7.496612|6.046584|11.440487|12.349279|7.698992|7.519697|36.858105| |3.637785|3.602459|3.050852|3.041347|4.696626|6.936706|10.688747|6.910469|4.693312|4.200732|5.756073|3.593896|3.620685|3.046135|3.037976|388.023441| |3.273754|3.217963|2.659189|2.923773|3.989571|5.322560|6.832974|5.354665|4.007919|3.645529|5.201951|3.233561|3.293939|2.669845|2.936628|74.148706|36.858105| |2.672171|2.584876|2.216460|2.387797|3.042626|3.802440|4.563083|3.906322|3.099730|2.837657|4.230732|2.655489|2.785888|2.263234|2.446110|48.598066|12.559896|36.858105| |2.516317|2.391980|2.054409|2.254227|2.719324|3.297993|3.713363|3.220622|2.676171|2.517712|3.835834|2.328396|2.408777|2.011705|2.196935|35.474262|7.998750|15.796343|73.516695| |2.378877|2.335792|2.059799|2.142230|2.752713|3.365497|4.133532|3.728228|2.950425|2.636992|3.972220|2.599971|2.824200|2.244802|2.353831|44.193480|7.791698|14.096507|15.168211|53.358707| |2.041295|1.993041|1.788537|1.851989|2.281211|2.693324|3.153824|2.923914|2.423053|2.199457|3.400605|2.200174|2.394762|1.942185|2.025156|30.479260|5.022759|7.856382|12.438074|18.005669|36.858105| |1.999083|1.909898|1.729131|1.763073|2.139287|2.523770|2.852064|2.581694|2.176856|2.025173|3.152358|1.964360|2.091142|1.770731|1.807769|27.439396|4.211829|6.043616|10.696781|10.469762|12.293207|36.858105| |1.757139|1.678842|1.532083|1.572630|1.846787|2.125642|2.345733|2.162968|1.873032|1.759078|2.785224|1.718774|1.824277|1.563281|1.606733|21.173693|3.282518|4.393164|8.401800|6.878206|7.522973|12.718925|36.858105| |1.696280|1.615630|1.467622|1.533658|1.758665|2.004193|2.177535|2.011580|1.764810|1.672566|2.666921|1.623864|1.709229|1.473641|1.540440|19.082929|3.070086|4.045355|8.316810|5.823809|5.794914|7.455046|14.068466|36.858105| |1.788360|1.694929|1.520667|1.625370|1.837620|2.094897|2.253914|2.066101|1.818497|1.736472|2.766388|1.662108|1.732033|1.495265|1.593895|19.526596|3.307812|4.385525|9.917312|5.771642|5.234900|5.909217|7.457585|13.187979|36.858105| |1.646771|1.562189|1.407418|1.516314|1.672244|1.874733|1.987325|1.840234|1.647680|1.585746|2.555737|1.519525|1.574760|1.374116|1.474192|16.626547|2.781633|3.462283|7.578524|4.505822|3.879917|4.190303|5.155327|7.987519|14.177050|36.858105| |1.471656|1.402059|1.278479|1.361079|1.492897|1.656044|1.751165|1.639753|1.481244|1.425380|2.316706|1.380771|1.435497|1.261144|1.339753|14.459399|2.334161|2.821997|5.840163|3.806232|3.305426|3.615768|4.666865|6.917977|7.826557|13.065470|36.858105| |1.416174|1.353366|1.243682|1.304219|1.445668|1.604562|1.707116|1.605326|1.446929|1.385560|2.252222|1.354260|1.416971|1.244043|1.304442|14.188250|2.233962|2.703787|5.416165|3.780034|3.378720|3.813855|5.299155|7.670694|6.570930|7.678185|14.116149|36.858105| |1.507361|1.440942|1.323493|1.374497|1.553903|1.743551|1.877019|1.757362|1.564775|1.487839|2.399378|1.457766|1.534948|1.336731|1.389344|15.979807|2.496779|3.109857|6.157076|4.496636|4.249285|5.119949|8.448513|13.223173|7.597008|6.797795|8.087819|13.417284|36.858105| |1.455582|1.396881|1.294209|1.323810|1.509734|1.691321|1.829278|1.722815|1.533517|1.452003|2.344329|1.435620|1.520376|1.325978|1.358142|15.594212|2.359143|2.893503|5.493678|4.333430|4.119008|5.073434|8.271887|8.426931|5.272148|4.647713|5.263465|7.708247|14.493584|53.358707| |1.356302|1.304565|1.216262|1.239086|1.403085|1.559001|1.677551|1.590372|1.427251|1.354200|2.199911|1.344810|1.423459|1.249942|1.275061|14.080535|2.104249|2.518284|4.730198|3.748100|3.438652|4.065453|5.823092|5.911999|4.219360|3.942258|4.644059|6.802904|9.268052|26.018124|0.500000| |1.573957|1.511865|1.399919|1.417029|1.651392|1.872060|2.052373|1.923265|1.688305|1.586442|2.538569|1.571003|1.673899|1.448410|1.467916|17.982760|2.671062|3.342638|6.153863|5.253360|5.257792|7.200999|12.710892|8.206386|5.079055|4.106389|4.161253|5.197504|8.385241|17.918718|0.243738|36.858105| |1.655228|1.567681|1.404957|1.540358|1.664001|1.849828|1.936498|1.794377|1.622799|1.574894|2.551018|1.496393|1.536885|1.350215|1.467994|15.832022|2.684827|3.221681|7.099963|4.043430|3.293872|3.416378|3.873937|5.203431|7.957017|14.323056|8.223089|5.301894|4.626962|4.782574|0.086410|3.201319|73.516695| |1.842629|1.737769|1.535501|1.717881|1.845794|2.061951|2.146434|1.969296|1.777254|1.733668|2.793153|1.621901|1.651932|1.449808|1.598783|17.473463|3.077256|3.656048|8.421553|4.345614|3.370664|3.390933|3.574657|4.458477|6.721998|8.051618|5.225858|3.943726|3.747733|4.097961|0.074141|2.893091|23.958668|36.858105| |17.569243|8.687926|7.042146|5.540169|6.712360|6.834838|4.676397|3.744505|3.681091|4.553573|6.909748|2.870932|2.491696|2.732050|2.610158|27.661644|3.312880|2.731578|4.531332|3.350263|2.109710|2.091323|1.823748|1.743105|1.819611|1.663505|1.490518|1.443756|1.547364|2.045959|0.038885|1.637452|2.943952|1.828744|0.500000| |17.565244|8.688700|5.540821|7.038180|6.714514|6.830633|4.675176|3.740991|3.679286|4.554454|6.914131|2.868770|2.489396|2.613048|2.724964|27.577699|3.670959|2.954913|5.004929|3.483144|2.181887|2.133258|1.871250|1.819596|1.943505|1.787234|1.580441|1.508939|1.603645|2.089727|0.039556|1.656620|3.214502|2.040634|0.300458|0.500000| |17.571664|8.845081|7.174162|7.175994|5.461069|4.871904|3.601934|3.097946|3.198913|4.035449|6.680784|2.607081|2.239517|2.493796|2.488843|21.504789|2.788846|2.349534|3.997420|2.872127|1.844530|1.820355|1.622422|1.576370|1.662090|1.545996|1.390548|1.337048|1.413264|1.857450|0.035482|1.464379|2.776098|1.731156|0.302869|0.302880|0.500000| |7.178192|8.772814|17.557532|6.876665|5.451285|4.244043|3.319356|3.092832|3.441316|4.547844|8.445595|2.897723|2.395549|2.952176|2.741453|18.997700|2.387848|2.029391|3.392948|2.564372|1.656996|1.615715|1.445564|1.392942|1.446192|1.347799|1.228376|1.192995|1.262718|1.678349|0.032277|1.325587|2.402022|1.474707|0.177138|0.144511|0.221751|0.500000| |5.515561|8.541431|17.578707|6.590962|6.639375|4.644826|3.742488|3.707382|4.467275|6.367465|13.308195|3.757579|2.933362|3.983383|3.471382|20.229137|2.497932|2.094887|3.441081|2.679183|1.715913|1.644987|1.463102|1.400992|1.446944|1.342431|1.224474|1.193601|1.268783|1.693001|0.032550|1.343759|2.380888|1.457800|0.141633|0.121682|0.144372|0.303656|0.500000| |7.065508|8.763704|17.568193|5.452230|6.830444|5.386372|4.127059|3.779242|4.142634|5.477581|9.210552|3.333580|2.748481|3.447308|2.952844|22.844739|2.690442|2.256517|3.690980|2.884892|1.838776|1.791180|1.577958|1.499386|1.541295|1.418873|1.291656|1.263229|1.351689|1.808656|0.034686|1.446070|2.499891|1.528275|0.212773|0.142500|0.175669|0.301454|0.304212|0.500000| |7.068226|8.763434|5.452073|17.564630|6.824331|5.373351|4.119330|3.765221|4.130417|5.472549|9.225778|3.321565|2.738171|2.949673|3.425977|22.706292|3.212355|2.591949|4.387351|3.101362|1.960184|1.856369|1.655185|1.624926|1.741168|1.625210|1.446811|1.376699|1.447769|1.884322|0.035870|1.478335|2.955447|1.876315|0.142514|0.212808|0.175905|0.141161|0.135881|0.122559|0.500000| |5.515586|8.545036|6.588366|17.582675|6.645652|4.643978|3.742435|3.703015|4.463813|6.374764|13.366933|3.751043|2.928095|3.473115|3.964786|20.180121|2.739654|2.254748|3.768338|2.788140|1.778269|1.677699|1.502409|1.464620|1.546589|1.446783|1.304696|1.252834|1.318594|1.732814|0.033182|1.360786|2.610908|1.629672|0.121692|0.141634|0.144363|0.165713|0.188233|0.135899|0.304187|0.500000| |7.171862|8.772986|6.880547|17.557146|5.450900|4.240041|3.317125|3.088988|3.438668|4.548856|8.460496|2.894482|2.392382|2.744895|2.941609|18.948922|2.572228|2.157239|3.669526|2.648475|1.706527|1.642867|1.479041|1.448454|1.534545|1.441677|1.300448|1.245616|1.306328|1.712642|0.032821|1.339810|2.611970|1.632654|0.144462|0.176861|0.221650|0.208252|0.165968|0.141166|0.301494|0.303539|0.500000| |7.930167|6.940559|4.972345|4.959903|8.907008|17.812942|9.043562|5.687411|4.922721|5.664662|7.478821|3.516502|3.104455|3.105898|3.099264|47.755318|5.283883|3.882325|6.124897|4.578402|2.717521|2.615099|2.199995|2.080188|2.185486|1.951948|1.716307|1.658151|1.801876|2.369883|0.044478|1.925862|3.427684|2.158680|0.242173|0.241171|0.152804|0.116582|0.116285|0.143847|0.143180|0.116128|0.116335|0.500000| |3.106003|3.514833|3.096917|3.088652|4.923537|5.687458|9.017682|17.806706|8.935169|5.668233|7.595860|6.931153|7.902083|4.963759|4.949302|47.472076|5.338203|4.083378|5.856679|5.574427|3.183785|2.732332|2.274661|2.094775|2.128881|1.884939|1.684713|1.659594|1.828984|2.454321|0.046185|2.027752|3.238532|1.982111|0.087416|0.087273|0.073644|0.073449|0.086335|0.087922|0.087462|0.086136|0.073305|0.125677|0.500000| |4.756430|7.724946|7.658160|7.627457|7.748530|4.975779|4.171101|4.444173|6.046177|9.953266|35.972446|5.074492|3.617388|5.015375|4.995234|21.402870|2.741103|2.251352|3.674604|2.858152|1.812287|1.699285|1.509327|1.451299|1.509466|1.400599|1.270851|1.233092|1.308891|1.737848|0.033327|1.377208|2.494670|1.538056|0.116601|0.116499|0.118976|0.164238|0.284150|0.163926|0.163118|0.282048|0.163963|0.115883|0.101094|0.500000| |2.490112|2.867757|2.721139|2.599522|3.680242|3.738436|4.658362|6.814255|6.718541|4.555377|7.081578|8.679652|17.551922|6.988029|5.522497|27.488660|3.331333|2.851997|4.330628|4.035515|2.507251|2.196891|1.898785|1.756742|1.759794|1.588866|1.452622|1.444322|1.576973|2.143293|0.040944|1.750733|2.732304|1.641174|0.069830|0.067954|0.061344|0.065504|0.079509|0.077134|0.071320|0.075284|0.063285|0.087277|0.241099|0.093042|0.500000| |2.240089|2.607202|2.485393|2.480872|3.203193|3.097388|3.595139|4.866796|5.470868|4.043552|6.886279|8.852285|17.571354|7.128956|7.131435|21.414907|2.804018|2.445011|3.827001|3.394307|2.169840|1.906565|1.688022|1.588986|1.605740|1.472091|1.352529|1.337642|1.441337|1.948030|0.037428|1.564906|2.558412|1.537078|0.061391|0.061337|0.056239|0.060871|0.074079|0.068445|0.068202|0.073944|0.060793|0.073627|0.152397|0.090369|0.302901|0.500000| |2.487662|2.865013|2.601741|2.713199|3.677765|3.735428|4.658095|6.809619|6.720684|4.555123|7.084091|8.679967|17.546024|5.522557|6.986064|27.415535|3.697872|3.110835|4.739685|4.278396|2.633314|2.246633|1.953327|1.835690|1.871536|1.695902|1.535774|1.509959|1.637171|2.194542|0.041743|1.774951|2.944731|1.789224|0.067954|0.069695|0.061285|0.063304|0.075343|0.071505|0.076755|0.079299|0.065347|0.087163|0.239802|0.092931|0.300208|0.302914|0.500000| |2.955913|3.799440|3.989131|3.500653|4.535095|3.738390|3.763928|4.677279|6.735370|6.515346|14.490356|8.689134|5.534289|17.652573|6.799283|20.268823|2.516336|2.131156|3.407260|2.839540|1.814432|1.673452|1.485055|1.407647|1.434654|1.324744|1.216154|1.196140|1.279448|1.722804|0.033187|1.375901|2.325516|1.407942|0.079983|0.076015|0.074569|0.093083|0.133521|0.107126|0.088258|0.109914|0.084663|0.086910|0.116681|0.174463|0.141130|0.144621|0.122329|0.500000| |2.402078|2.907188|2.949323|2.738550|3.459283|3.100898|3.322498|4.250309|5.470693|4.576423|8.820756|8.796626|7.168279|17.541487|6.891851|18.975525|2.398030|2.078365|3.310838|2.831168|1.826777|1.662781|1.481881|1.400279|1.416905|1.308547|1.207745|1.193642|1.278695|1.730110|0.033407|1.382670|2.286231|1.373666|0.065708|0.063500|0.061008|0.071449|0.092857|0.080850|0.071901|0.083897|0.067500|0.073612|0.116557|0.113728|0.176928|0.220926|0.144310|0.302078|0.500000| |2.765561|3.360238|3.465482|2.961760|4.183253|3.797167|4.129872|5.384441|6.866737|5.545491|9.639666|8.752421|6.977948|17.540478|5.470748|22.779871|2.697300|2.301235|3.609281|3.149116|1.999517|1.833936|1.609213|1.503757|1.513547|1.383879|1.272736|1.262160|1.363844|1.852261|0.035637|1.496579|2.401687|1.443841|0.077636|0.071921|0.068840|0.081255|0.107972|0.099103|0.076857|0.087881|0.072356|0.088264|0.143120|0.123664|0.208946|0.173467|0.141273|0.301393|0.301650|0.500000| |2.755615|3.347110|2.955704|3.443116|4.170529|3.786040|4.125571|5.373267|6.864304|5.538636|9.648815|8.750644|6.977795|5.470138|17.535730|22.662380|3.227996|2.663837|4.255022|3.443969|2.162516|1.905955|1.692872|1.631681|1.702377|1.573870|1.421042|1.376142|1.463795|1.935398|0.036955|1.533885|2.797479|1.726338|0.071742|0.077301|0.068596|0.072164|0.087718|0.076833|0.098239|0.107269|0.080804|0.087910|0.142342|0.122957|0.141263|0.173588|0.208923|0.139015|0.140939|0.122460|0.500000| |2.398526|2.902651|2.738674|2.938655|3.455578|3.097600|3.321304|4.247128|5.470666|4.575157|8.827876|8.796411|7.166109|6.892895|17.541730|18.935132|2.586967|2.218148|3.568584|2.948608|1.895648|1.693442|1.518903|1.457530|1.500492|1.394635|1.276678|1.246997|1.324768|1.768733|0.034029|1.399646|2.466127|1.499228|0.063461|0.065566|0.060916|0.067458|0.083920|0.072018|0.080419|0.092495|0.071235|0.073496|0.116300|0.113436|0.144308|0.220968|0.176806|0.169083|0.207520|0.140949|0.301670|0.500000| |2.949291|3.789136|3.495204|3.970144|4.526970|3.733043|3.762904|4.673933|6.736397|6.511919|14.518022|8.688135|5.533682|6.796881|17.652725|20.221659|2.746778|2.289008|3.702083|2.963007|1.884656|1.706082|1.523874|1.468206|1.525169|1.417953|1.289472|1.252004|1.327470|1.762508|0.033823|1.393384|2.523505|1.549843|0.075903|0.079781|0.074399|0.084476|0.109738|0.088263|0.106483|0.132785|0.092721|0.086726|0.116438|0.173334|0.122321|0.144629|0.141116|0.200440|0.168977|0.139009|0.301398|0.302066|0.500000| |3.081564|3.157981|2.613234|2.942610|3.988615|5.031507|6.663914|5.918781|4.410405|3.842206|5.492863|3.615292|3.757454|2.873269|3.328693|56.243951|17.579124|8.978750|11.455443|9.167510|4.593993|3.693648|2.986485|2.826069|3.040832|2.612356|2.215551|2.118467|2.341839|3.017939|0.055366|2.480672|4.528063|2.909132|0.084775|0.094739|0.073483|0.064912|0.069467|0.072413|0.090158|0.078349|0.071157|0.129786|0.170449|0.079008|0.102841|0.087832|0.122484|0.074280|0.071968|0.079263|0.104866|0.080893|0.084666|0.500000| |3.634902|3.458381|2.776104|3.185387|4.155418|5.537679|6.219501|4.741930|3.778626|3.634768|5.227922|3.025244|2.970248|2.526745|2.820292|55.734056|17.661595|9.040508|13.626510|7.844252|4.209558|3.760691|3.047344|2.936211|3.257862|2.791575|2.320830|2.187050|2.402956|3.051845|0.055767|2.488781|4.906708|3.253832|0.100298|0.118295|0.085564|0.069874|0.071332|0.077043|0.099911|0.081143|0.077924|0.162240|0.123958|0.077935|0.082063|0.071185|0.091077|0.067492|0.062978|0.070185|0.086156|0.068708|0.075008|0.301283|0.500000| |2.426536|2.420711|2.151746|2.190891|2.910792|3.577045|4.595616|4.235868|3.249934|2.829966|4.220889|2.861251|3.173688|2.462859|2.524491|50.780487|7.402978|9.363451|10.876682|26.053650|8.984151|6.127524|4.259474|3.591196|3.490677|2.830205|2.458680|2.468203|2.904040|3.907892|0.070308|3.482342|4.572624|2.742903|0.070218|0.071453|0.059432|0.054157|0.057447|0.061951|0.064030|0.058536|0.054949|0.096948|0.134537|0.061377|0.094759|0.076822|0.097995|0.062783|0.063122|0.071341|0.074761|0.064463|0.064161|0.187107|0.147667|0.500000| |1.903650|1.881838|1.710293|1.748520|2.157815|2.509344|2.956523|2.827021|2.358992|2.115666|3.295452|2.184742|2.426110|1.941940|2.000096|27.594856|4.252592|5.804407|9.044931|12.615364|17.603937|8.753737|6.455637|4.933737|4.284702|3.365851|3.003608|3.150894|3.943313|5.479662|0.095464|5.226152|5.126853|2.895494|0.054702|0.055829|0.047964|0.043967|0.045954|0.048957|0.050966|0.047029|0.044794|0.069311|0.087265|0.048568|0.071308|0.061565|0.073945|0.050007|0.051142|0.055803|0.058973|0.052518|0.051346|0.112950|0.099144|0.229581|0.500000| |1.956613|1.913036|1.708865|1.806597|2.170150|2.525239|2.907339|2.723397|2.298193|2.099517|3.275634|2.105106|2.281663|1.849561|1.975792|26.710299|4.701155|7.285529|13.306819|12.597209|17.632680|8.783063|7.240361|6.477851|6.279334|4.553296|3.751039|3.732980|4.610465|5.740741|0.097243|4.989707|6.799348|3.906437|0.055498|0.058488|0.049408|0.044202|0.045634|0.048342|0.053523|0.048310|0.046350|0.070698|0.081666|0.048606|0.065217|0.057896|0.070286|0.048189|0.048582|0.052301|0.059166|0.051531|0.051182|0.123755|0.113487|0.183957|0.302825|0.500000| |2.174203|2.042940|1.830742|1.879852|2.276098|2.722161|3.029782|2.663982|2.242128|2.115381|3.273406|1.989736|2.081436|1.789402|1.835228|29.711795|4.669898|6.848585|12.971242|10.095891|8.869837|17.610254|9.069010|6.873422|6.249885|4.365504|3.613409|3.658625|4.674428|5.981864|0.100003|5.608590|6.457058|3.723273|0.063347|0.065188|0.054816|0.047596|0.047934|0.052662|0.055307|0.049206|0.048693|0.079993|0.076731|0.049281|0.060366|0.052411|0.061966|0.047316|0.046348|0.051351|0.053821|0.047380|0.048462|0.108685|0.119456|0.160565|0.174770|0.202528|0.500000| |1.981561|1.895968|1.737047|1.730873|2.125789|2.506788|2.840456|2.578216|2.171673|2.016041|3.138656|1.963114|2.095680|1.790144|1.784323|27.436306|3.870992|5.095535|8.479144|9.022678|8.763583|17.574802|8.921718|5.602917|4.495753|3.440868|3.099500|3.333211|4.373875|6.346725|0.107850|6.934391|5.127518|2.858735|0.058224|0.058030|0.050124|0.045006|0.045942|0.050453|0.050119|0.045795|0.044860|0.072035|0.076066|0.046970|0.062003|0.053098|0.061796|0.046900|0.046671|0.052037|0.051721|0.046534|0.046762|0.094676|0.095463|0.165622|0.219128|0.173819|0.302649|0.500000| |1.978493|1.868885|1.656352|1.788288|2.041603|2.358937|2.549871|2.304593|2.006163|1.914973|3.020932|1.811026|1.879898|1.613324|1.733666|22.505557|4.002689|5.592268|14.176165|6.862605|5.903693|6.329104|6.634869|8.740203|17.761629|8.946493|5.551067|4.797015|5.489897|5.839809|0.098105|4.450029|12.366797|7.300765|0.055809|0.060340|0.050659|0.043570|0.043606|0.046559|0.053613|0.047048|0.046616|0.068671|0.065702|0.045721|0.052927|0.047993|0.056755|0.042984|0.042209|0.045290|0.051726|0.044984|0.046046|0.100089|0.110436|0.110979|0.126432|0.199173|0.202819|0.130266|0.500000| |1.395552|1.330730|1.216089|1.300809|1.407072|1.547090|1.623213|1.526737|1.391829|1.345716|2.201399|1.302984|1.349077|1.193467|1.272689|13.177029|2.118399|2.497172|5.118411|3.334773|2.813832|3.011210|3.694446|4.979112|5.662306|8.840944|17.730320|9.051869|5.692065|5.702678|0.108123|3.399076|13.855283|4.938071|0.039093|0.041594|0.036833|0.032585|0.032399|0.034015|0.038413|0.034694|0.034664|0.044487|0.043400|0.033632|0.037761|0.035458|0.040006|0.032069|0.031827|0.033351|0.037480|0.033772|0.034141|0.056319|0.059009|0.060641|0.071953|0.087795|0.084197|0.073339|0.123808|0.500000| |1.313728|1.258629|1.164092|1.215138|1.338577|1.474464|1.562666|1.478847|1.342556|1.287621|2.105356|1.264451|1.322824|1.168579|1.220118|12.827419|1.989181|2.355865|4.627711|3.308755|2.902829|3.231321|4.293730|5.498416|4.796146|5.506915|8.974835|17.753329|8.730964|9.209779|0.191908|4.535872|7.629687|3.310052|0.037199|0.038684|0.034605|0.031098|0.031112|0.032848|0.035491|0.032510|0.032342|0.042217|0.042452|0.032058|0.037461|0.034867|0.038988|0.031247|0.031255|0.032940|0.035628|0.032534|0.032576|0.052753|0.054117|0.061082|0.077005|0.087421|0.085736|0.081094|0.104907|0.215456|0.500000| |1.576225|1.505425|1.402618|1.401944|1.636175|1.855643|2.019724|1.881147|1.654989|1.563993|2.504185|1.534860|1.625566|1.426813|1.426654|17.695808|2.549935|3.112694|5.657011|4.834562|4.533494|6.410945|8.865119|6.225756|4.298244|3.569601|3.614218|4.393952|6.334895|12.358669|0.205717|17.549278|5.107946|2.635818|0.045882|0.045869|0.040817|0.036958|0.037303|0.040468|0.040431|0.037295|0.036937|0.053346|0.054759|0.037848|0.047460|0.042194|0.047461|0.037756|0.037762|0.041158|0.041149|0.037756|0.037754|0.065180|0.066398|0.091049|0.124788|0.115331|0.147694|0.192766|0.108110|0.084306|0.110450|0.500000| |1.531299|1.486158|1.381354|1.392860|1.633802|1.844237|2.042646|1.941867|1.703788|1.585763|2.541170|1.600255|1.725200|1.476216|1.491116|17.785170|2.615761|3.236399|5.780962|5.261219|5.325403|6.413004|8.847984|6.213167|4.289749|3.562013|3.605416|4.382817|6.319620|12.351200|0.204996|17.543826|5.099314|2.631664|0.044198|0.044542|0.039518|0.036220|0.037034|0.039646|0.040244|0.037361|0.036483|0.052132|0.057526|0.038125|0.050339|0.044960|0.050879|0.038736|0.039310|0.042445|0.043237|0.039675|0.039102|0.068565|0.066727|0.099303|0.161431|0.138271|0.134826|0.180698|0.108047|0.084115|0.110194|0.300462|0.500000| |1.901796|1.813638|1.593105|1.794313|1.952753|2.190623|2.314209|2.135272|1.913058|1.846905|2.960085|1.746994|1.792108|1.545206|1.725072|18.920500|3.458687|4.198739|9.926173|4.911851|3.785424|3.610528|3.707467|4.520217|6.747105|7.102760|4.735725|3.744421|3.690470|4.091636|0.073572|2.951209|16.418587|17.595416|0.052264|0.058574|0.049238|0.042224|0.042160|0.043962|0.054654|0.047490|0.046955|0.063050|0.060127|0.044994|0.049288|0.046184|0.054483|0.041471|0.040664|0.042632|0.052183|0.044865|0.046147|0.092241|0.100458|0.084868|0.089368|0.126561|0.108620|0.083388|0.221019|0.121173|0.087393|0.073685|0.075882|0.500000| |1.986849|1.846139|1.623954|1.811044|1.953360|2.205247|2.275929|2.051191|1.841507|1.809749|2.897869|1.660287|1.678490|1.486867|1.624813|18.762839|3.297150|3.918048|9.256315|4.541824|3.454266|3.597819|3.697141|4.505695|6.713127|7.092896|4.738410|3.743316|3.684592|4.085432|0.073525|2.945939|16.429297|17.591735|0.055032|0.061579|0.051750|0.043357|0.042507|0.045037|0.055026|0.047284|0.047870|0.065094|0.056873|0.044478|0.046504|0.043138|0.050254|0.040224|0.038909|0.041277|0.048541|0.042083|0.043909|0.084141|0.098890|0.079303|0.081135|0.107760|0.114522|0.084281|0.218204|0.121411|0.087410|0.075900|0.073452|0.298865|0.500000| 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