Version2.1 2021-01-15T10:53:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C=CC[NH+]1CCN(CC1)c2c3c4c(sc3nc(n2)SCC(=O)NC5CCCCC5)CCCC4 C34756680 RHF 6-31G(d) (6D,7F) C=CC[NH+]1CCN(CC1)c2c3c4c(sc3nc(n2)SCC(=O)NC5CCCCC5)CCCC4 C01[X(C25H36N5O1S2)] 201 C1 575 C=CC[NH+]1CCN(CC1)c1nc(SCC(=O)NC2CCCCC2)nc2c1c1CCCCc1s2 C=CC[NH+]1CCN(CC1)c1nc(SCC(=O)NC2CCCCC2)nc2c1c1CCCCc1s2 C=CC[NH+]1CCN(CC1)c2nc(SCC(=O)NC3CCCCC3)nc4sc5CCCCc5c24 InChIKey=AJFVTWRAJSSBHP-UHFFFAOYSA-O InChI=1S/C25H35N5OS2/c1-2-12-29-13-15-30(16-14-29)23-22-19-10-6-7-11-20(19)33-24(22)28-25(27-23)32-17-21(31)26-18-8-4-3-5-9-18/h2,18H,1,3-17H2,(H,26,31)/p+1 InChI=1/C25H35N5OS2/c1-2-12-29-13-15-30(16-14-29)23-22-19-10-6-7-11-20(19)33-24(22)28-25(27-23)32-17-21(31)26-18-8-4-3-5-9-18/h2,18H,1,3-17H2,(H,26,31)/p+1/fC25H36N5OS2/h26,29H/q+1 C=CC[NH+]1CCN(CC1)c2c3c4c(sc3nc(n2)SCC(=O)NC5CCCCC5)CCCC4 C01[X(C25H36N5O1S2)] 201 C01 575 C=CC[NH+]1CCN(CC1)c1nc(SCC(=O)NC2CCCCC2)nc2c1c1CCCCc1s2 C=CC[NH]1CCN(CC1)[C]1[N][C]([N][C]2[C]1[C]1=C(S2)CCCC1)SCC(=O)NC1CCCCC1 C=CC[NH]1CCN(CC1)[C]2[N][C]([N][C]3SC4=C(CCCC4)[C]23)SCC(=O)NC5CCCCC5 InChIKey=UAIDNLCVMSMGMM-UHFFFAOYSA-N InChI=1S/C25H36N5OS2/c1-2-12-29-13-15-30(16-14-29)23-22-19-10-6-7-11-20(19)33-24(22)28-25(27-23)32-17-21(31)26-18-8-4-3-5-9-18/h2,18,29H,1,3-17H2,(H,26,31) InChI=1/C25H36N5OS2/c1-2-12-29-13-15-30(16-14-29)23-22-19-10-6-7-11-20(19)33-24(22)28-25(27-23)32-17-21(31)26-18-8-4-3-5-9-18/h2,18,29H,1,3-17H2,(H,26,31)/f/h26H 3643.5712351270 -2109.6224756 1-A 30376.0149 130 445 575 |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| -92.05289 -92.02304 -20.58222 -15.85241 -15.70468 -15.66011 -15.65891 -15.63700 -11.44795 -11.44351 -11.43495 -11.43334 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10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 7 1 6 6 7 6 6 6 6 6 6 16 6 7 6 7 16 6 6 8 7 6 6 6 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 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 14.00307 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11412.0785 43028.3909 52989.3230 0.99999 -0.00370 0.00026 0.00370 0.99999 0.00145 -0.00027 -0.00145 1.00000 1 0.00759 0.00201 0.00163 0.15814 0.04194 0.03406 14.00 24.32 32.16 43.56 50.18 64.20 71.33 73.65 104.16 118.87 123.93 133.13 148.87 181.11 190.90 193.12 197.24 238.31 287.78 314.10 346.63 352.31 356.17 378.52 385.25 397.42 440.28 466.31 482.38 514.41 519.99 529.31 552.94 580.82 599.70 615.28 639.66 650.53 674.59 685.94 702.53 716.10 722.86 734.34 740.09 761.64 801.61 863.84 875.03 903.14 945.30 952.12 966.95 1029.63 1042.33 1083.97 1095.13 1135.43 1224.45 1236.84 1244.67 1245.91 1275.49 1287.85 1306.25 1311.84 1318.94 1319.95 1330.94 1375.39 1388.32 1393.36 1425.15 1447.60 1448.72 1452.62 1473.56 1488.11 1503.36 1508.99 1517.53 1539.10 1545.75 1558.20 1603.24 1612.79 1618.54 1648.87 1650.22 1655.19 1655.60 1672.02 1682.70 1689.13 1717.22 1719.06 1734.76 1744.86 1749.21 1799.05 1816.81 1823.50 1850.12 1862.42 1866.66 1870.96 1885.90 1899.86 1901.91 1915.70 1966.30 1969.52 1999.54 1999.98 2018.81 2020.49 2028.44 2034.39 2043.37 2079.93 2092.42 2098.10 2116.72 2118.51 2138.09 2139.56 2156.18 2166.67 2171.32 2171.73 2183.76 2193.68 2198.52 2205.29 2205.53 2210.51 2213.75 2233.63 2240.10 2261.34 2271.06 2278.82 2297.79 2305.06 2309.35 2340.18 2342.69 2345.13 2353.38 2354.72 2358.86 2360.39 2360.75 2362.39 2363.56 2377.48 2379.62 2386.40 2389.25 2459.52 2465.91 2545.85 2576.45 2696.15 2802.46 4546.81 4558.98 4560.11 4578.37 4586.54 4594.13 4598.31 4610.88 4611.58 4616.63 4617.81 4656.77 4662.84 4664.57 4668.77 4670.58 4675.31 4679.44 4681.33 4695.12 4695.43 4696.19 4716.76 4720.01 4727.88 4770.16 4780.27 4784.61 4785.68 4805.98 4809.73 4818.46 4829.57 4944.21 5291.01 5558.94 0.640788 0.670720 0.671664 0.574785 -2108.981688 -2108.951756 -2108.950812 -2109.047691 3.249338D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE C=CC[NH+]1CCN(CC1)c2c3c4c(sc3nc(n2)SCC(=O)NC5CCCCC5)CCCC4 C34756680 RHF 6-31G(d) (6D,10F) C1 486.236130 |X|Y|Z| 77.567866 154.081771 24.853434 66.722632 29 6 7 16 22 5 2 |36.858105| |14.444073|36.858105| |7.670348|12.703749|36.858105| |5.401213|7.631026|12.614020|53.358707| |5.051361|7.338136|9.302313|25.675605|0.500000| |5.160619|6.180494|7.570891|17.237604|0.259331|36.858105| |3.720394|4.299979|4.954714|10.467330|0.200166|12.545356|36.858105| |3.153182|3.638394|4.455667|9.052487|0.166521|7.863637|13.101249|53.358707| |3.178617|3.836863|4.964788|10.451416|0.198897|6.657608|7.965486|17.828363|36.858105| |3.925525|4.989072|7.631257|17.280278|0.259338|7.727030|6.644809|10.644349|12.534819|36.858105| |2.578976|2.889392|3.351511|6.112988|0.119952|5.127943|7.896320|18.258555|7.954276|5.128325|36.858105| |2.254312|2.481714|2.882003|4.931398|0.095329|3.954768|5.169612|10.523094|6.019530|4.293503|13.609671|36.858105| |2.173830|2.370625|2.799896|4.595532|0.086411|3.572834|4.207428|8.145863|5.239300|4.141939|7.213625|13.037925|36.858105| |1.886315|2.032224|2.344416|3.719639|0.071281|2.860097|3.290821|5.806669|3.911015|3.240521|5.152491|8.214866|14.201747|36.858105| |1.728642|1.857631|2.086170|3.317332|0.065366|2.574718|3.051874|5.124493|3.412302|2.779957|4.904911|7.335594|7.320726|10.855740|388.023441| |1.967476|2.140560|2.410051|3.990563|0.079287|3.172357|4.042410|7.065838|4.385978|3.327426|8.166632|13.648168|8.036634|7.677114|78.207726|36.858105| |1.906540|2.069674|2.275101|3.758766|0.076544|3.011101|3.902187|6.262500|3.910170|3.010721|6.994518|7.878549|5.229304|5.035150|50.420347|14.402870|53.358707| |2.100305|2.298115|2.503276|4.240784|0.087911|3.472262|4.786980|7.297778|4.371370|3.296289|8.372567|7.076572|4.613132|4.112770|35.094499|8.575038|19.806627|36.858105| |2.457244|2.735274|3.031936|5.411116|0.111918|4.573689|7.151805|11.190983|5.934071|4.187976|14.585149|8.053736|5.033614|4.103290|30.989985|7.206713|11.046892|14.274318|53.358707| |1.961544|2.124622|2.231299|3.671902|0.078118|2.983542|3.896055|5.306119|3.377809|2.724661|4.972216|4.286450|3.236789|3.003543|25.223535|4.910534|9.656125|10.841653|10.004923|388.023441| |1.662033|1.778797|1.869727|2.982854|0.062591|2.372106|2.924118|4.126840|2.718961|2.255139|3.794216|3.672336|2.935050|2.894384|26.001525|4.565351|9.074542|6.931881|6.501891|74.749908|36.858105| |1.544419|1.640673|1.695194|2.655663|0.056135|2.097054|2.508324|3.433752|2.307988|1.972783|2.986625|2.855899|2.381266|2.350957|20.221885|3.345326|5.924832|4.627840|4.953252|49.884470|12.503609|36.858105| |1.591035|1.688619|1.722876|2.693522|0.057482|2.131161|2.537596|3.377663|2.276743|1.966218|2.862852|2.655998|2.222017|2.155940|17.913711|2.990450|5.128771|4.234260|4.794773|47.978488|7.987500|15.871236|73.516695| |1.396291|1.475312|1.525350|2.356755|0.049504|1.843938|2.158022|2.987216|2.033901|1.762587|2.564014|2.527998|2.172274|2.192963|18.998486|2.972918|5.044127|3.694347|4.068819|34.176580|7.907777|14.158735|15.049540|53.358707| |1.294236|1.359322|1.391885|2.122261|0.044658|1.651788|1.895334|2.590826|1.782347|1.573562|2.164169|2.123310|1.863700|1.878289|15.802096|2.422673|3.935571|2.918102|3.371174|26.147988|5.008525|7.722140|11.980985|17.768690|36.858105| |1.192242|1.252315|1.286806|1.947378|0.040877|1.498172|1.698717|2.350183|1.639866|1.456405|1.949835|1.945524|1.738976|1.775951|14.939038|2.218574|3.513693|2.536284|2.967398|21.395725|3.980108|5.186740|8.074091|10.611342|12.452319|36.858105| |1.110012|1.160087|1.183611|1.773339|0.037239|1.360228|1.521424|2.086579|1.463555|1.317519|1.701271|1.689211|1.528593|1.555123|12.790446|1.887560|2.924080|2.133738|2.562500|17.743317|3.075354|3.858955|6.498029|6.811421|7.534923|12.435339|36.858105| |1.089253|1.130822|1.149189|1.714700|0.035864|1.325572|1.476259|2.009802|1.397509|1.266210|1.630886|1.617359|1.469690|1.492950|12.186942|1.795891|2.764197|2.024048|2.448927|16.758830|2.850854|3.534661|6.058260|6.021678|6.434808|7.517340|12.442264|36.858105| |1.165650|1.208044|1.222508|1.831047|0.038348|1.428896|1.600467|2.155001|1.483117|1.341376|1.750987|1.716018|1.543318|1.552860|12.648083|1.900071|2.957713|2.204095|2.662813|18.781218|3.168403|4.099119|7.285748|6.771766|7.530349|6.443286|7.539955|12.443624|36.858105| |1.261759|1.312999|1.336989|2.024163|0.042347|1.591145|1.810557|2.448854|1.667203|1.488551|2.025424|1.986649|1.760690|1.772625|14.714532|2.238893|3.572260|2.656442|3.125735|23.284679|4.187432|5.816103|9.752611|10.463699|12.434644|7.537954|6.450592|7.528577|12.437926|36.858105| |1.736614|1.850872|2.125790|3.256253|0.062170|2.463513|2.705083|4.546214|3.182956|2.809932|3.723140|5.042310|7.510193|12.656541|47.855769|4.819895|4.963249|3.107930|4.231346|17.309378|2.393986|2.012050|3.301656|2.605089|1.671571|1.602921|1.420966|1.369594|1.412208|1.590466|36.858105| |1.846283|1.969637|2.304059|3.468942|0.065100|2.571977|2.719728|4.574651|3.310232|3.058616|3.490606|4.417827|6.649561|7.633778|32.671329|3.884893|4.165395|2.750543|3.903208|15.613166|2.103589|1.800684|3.004801|2.319309|1.507671|1.444245|1.294431|1.250119|1.291017|1.439534|12.440686|36.858105| |2.119876|2.255978|2.688757|4.070952|0.074292|3.081127|3.203219|5.464277|3.814695|3.611945|3.969206|4.877972|7.574435|6.782327|29.823741|3.949275|4.244116|2.899518|4.281415|16.302294|2.130103|1.822935|3.074096|2.316860|1.507006|1.425937|1.281171|1.244317|1.297537|1.448600|7.566675|12.465105|36.858105| |2.391840|2.606058|3.185601|5.115178|0.092161|3.896238|4.214817|7.990166|5.432693|4.797252|5.671147|7.165916|12.593753|7.642452|33.414388|4.981227|5.151334|3.593102|5.576489|19.285438|2.431116|2.043939|3.457333|2.550338|1.641063|1.536448|1.370867|1.325158|1.391036|1.564932|6.312201|7.542406|12.430211|36.858105| |17.701078|9.067938|6.948613|6.805604|0.123192|5.030428|3.610346|4.249069|3.086550|3.817568|2.555989|2.266150|2.219963|1.925335|12.405732|1.968105|2.570239|2.059127|3.265797|13.525935|1.625861|1.504712|2.738309|1.859468|1.264770|1.167042|1.086083|1.068949|1.142790|1.238070|1.786051|1.914796|2.227253|2.484065|0.500000| |17.736425|9.122251|5.498001|5.863423|0.117536|4.221179|3.257105|3.761257|2.768985|3.277993|2.325480|2.043464|1.959906|1.722808|11.378891|1.813285|2.418226|1.958226|3.074125|13.261012|1.587986|1.491969|2.749678|1.839565|1.261525|1.161679|1.087193|1.069302|1.145880|1.233870|1.591177|1.676864|1.900456|2.121444|0.289383|0.500000| |9.157041|17.666111|8.651347|9.035073|0.206119|5.305667|4.039256|4.655819|3.679963|4.564329|2.780115|2.376768|2.240105|1.937494|12.789409|2.079058|2.771939|2.276926|3.664822|15.239337|1.787571|1.661272|3.061180|2.028652|1.377782|1.268927|1.177562|1.144126|1.222293|1.325108|1.759209|1.853135|2.085730|2.409052|0.173330|0.219031|0.500000| |5.940186|8.900978|17.600438|12.424224|0.219519|5.592951|4.176389|5.444499|4.758176|7.406427|3.105604|2.731969|2.689850|2.278020|14.388408|2.305078|2.952734|2.358168|3.823190|14.973639|1.787594|1.624725|2.926649|2.001544|1.344849|1.251961|1.153059|1.114819|1.179204|1.285383|2.087052|2.281190|2.614383|3.062289|0.150093|0.129004|0.209446|0.500000| |7.230192|8.848983|17.631304|12.376520|0.181843|7.110766|4.654934|5.879444|4.587753|6.858657|3.270464|2.881877|2.877076|2.403809|14.936289|2.393178|3.033359|2.416662|3.948468|15.158736|1.808484|1.634987|2.935458|2.013650|1.349798|1.250331|1.150586|1.121479|1.191902|1.303665|2.205305|2.427975|2.900473|3.385993|0.216582|0.142807|0.171230|0.301199|0.500000| |4.962806|5.495160|7.002495|12.421659|0.182141|17.626559|8.820006|9.687035|5.876344|7.063628|4.820281|3.950099|3.749451|2.978679|18.509817|3.128398|3.939370|3.229459|5.605403|19.452969|2.238421|1.975198|3.532568|2.390725|1.575714|1.436737|1.306486|1.278490|1.373900|1.527660|2.600581|2.766368|3.434802|4.312507|0.145939|0.111366|0.125750|0.145879|0.217351|0.500000| |6.175525|7.075922|7.061434|12.353906|0.224842|17.658187|8.809175|7.688687|4.972630|5.629476|4.188308|3.322426|3.005966|2.489582|16.316830|2.785395|3.692836|3.142394|5.433152|20.159543|2.257460|2.035057|3.726742|2.435110|1.618759|1.462819|1.337303|1.309198|1.417862|1.569875|2.177372|2.255065|2.650240|3.212731|0.160323|0.141487|0.168212|0.143142|0.179248|0.299911|0.500000| |3.435074|3.755822|4.116827|7.621028|0.145966|8.981103|17.639536|12.460099|5.724014|4.957427|7.317575|5.034700|4.073480|3.252802|21.869809|4.080004|5.463152|4.959828|9.706384|29.108070|3.056278|2.617623|4.709863|3.051686|1.964767|1.744132|1.560802|1.527766|1.670201|1.900643|2.674678|2.642814|3.120029|3.985859|0.094558|0.085286|0.097562|0.097056|0.111843|0.214168|0.212823|0.500000| |3.571861|4.202331|4.581570|9.375945|0.210736|8.838332|17.513227|12.218473|7.109408|5.802582|6.854820|4.573473|3.664240|2.976087|20.392998|3.807089|5.258072|4.947748|10.019104|30.473515|3.083811|2.673908|4.896983|3.084886|1.992326|1.774064|1.587965|1.532560|1.667384|1.886441|2.462737|2.446717|2.784230|3.554231|0.093006|0.089144|0.115857|0.110553|0.113927|0.173025|0.213717|0.303865|0.500000| |2.764445|3.250054|4.133451|7.621991|0.145322|4.970280|5.715842|12.411482|17.647380|8.986271|7.362241|6.644791|6.238660|4.562642|27.102615|4.745275|5.468474|4.225155|7.253044|22.744282|2.679769|2.256779|3.896572|2.742443|1.760078|1.636684|1.456117|1.384853|1.457758|1.638743|3.669664|3.857712|4.341896|6.425772|0.075585|0.067666|0.086726|0.114500|0.109913|0.131335|0.109144|0.127494|0.144277|0.500000| |3.063721|3.745090|4.579982|9.345091|0.208847|5.799670|7.142276|12.273658|17.444210|8.846896|6.931276|5.177073|4.329160|3.439834|22.625206|4.116237|5.286458|4.493896|8.224370|25.681084|2.843908|2.431131|4.307180|2.888516|1.860121|1.707076|1.521766|1.443237|1.532777|1.722250|2.827806|2.873494|3.178747|4.236863|0.080536|0.075569|0.104402|0.124669|0.112376|0.134544|0.129974|0.144997|0.212366|0.302763|0.500000| |3.704450|4.773352|7.105303|12.356721|0.225350|5.624634|4.978891|7.669131|8.816692|17.622190|4.199237|3.678240|3.613121|2.943511|18.167686|2.972904|3.700123|2.934982|4.876011|17.693504|2.097354|1.855676|3.292083|2.274120|1.501671|1.400756|1.272351|1.217900|1.282878|1.414567|2.614294|2.865475|3.261480|4.117136|0.098361|0.087214|0.126131|0.229791|0.169480|0.143959|0.126720|0.109115|0.130589|0.212791|0.215007|0.500000| |3.835304|4.609659|7.071204|12.423822|0.182064|7.026651|5.815136|9.567117|8.827358|17.633277|4.795185|4.270098|4.410491|3.408810|19.977542|3.266576|3.927053|3.075838|5.190373|17.952854|2.134239|1.866371|3.284374|2.290127|1.504813|1.397731|1.266795|1.223213|1.293469|1.433595|3.014886|3.400648|4.217485|5.632257|0.108622|0.088180|0.112298|0.186368|0.208670|0.212326|0.143863|0.129908|0.133807|0.215387|0.173171|0.299829|0.500000| |1.613389|1.737166|1.842076|2.935869|0.061640|2.288403|2.795803|4.060368|2.748442|2.261255|3.749644|3.749802|3.021032|3.033097|28.062120|4.803609|9.496419|6.532284|6.195506|56.254144|17.616852|8.853960|10.966487|9.656614|4.648408|3.986296|3.042776|2.740189|2.931657|3.745078|2.503378|2.179908|2.168115|2.471500|0.043825|0.042697|0.048566|0.049402|0.049430|0.060113|0.059927|0.079285|0.081654|0.076779|0.080272|0.058994|0.059350|0.500000| |1.629404|1.729722|1.823798|2.892346|0.059861|2.327502|2.851248|4.053085|2.620841|2.192169|3.750844|3.761487|3.041070|3.052235|28.137655|4.808443|9.451855|6.527716|6.191887|56.284556|17.610127|8.853205|10.980995|9.601381|4.660428|3.779518|2.952934|2.816948|3.132865|4.181190|2.522879|2.182944|2.210216|2.494761|0.044647|0.043167|0.047845|0.048249|0.049522|0.061958|0.061384|0.084371|0.081336|0.072198|0.074357|0.056268|0.058477|0.302970|0.500000| |1.365709|1.442479|1.502299|2.319047|0.048383|1.811452|2.116610|2.977587|2.026988|1.752410|2.579879|2.608179|2.258203|2.319936|20.601632|3.136914|5.304736|3.694864|4.021071|31.773291|7.620467|9.426413|10.868073|26.045779|9.004844|7.306240|4.667433|4.150348|4.405157|6.410299|2.027506|1.781627|1.762578|1.927644|0.037281|0.036588|0.040288|0.040310|0.040670|0.048298|0.048471|0.061039|0.061000|0.056388|0.058226|0.046132|0.046755|0.207419|0.209962|0.500000| |1.318982|1.388284|1.413295|2.154690|0.045673|1.670653|1.913960|2.590253|1.793356|1.587043|2.142654|2.068983|1.809810|1.803677|14.944197|2.324357|3.764348|2.866121|3.363425|26.364935|4.707284|7.414778|13.580215|12.679635|17.606086|8.893471|6.824890|5.689172|6.832502|8.899369|1.603620|1.460358|1.466694|1.605729|0.035621|0.035829|0.039319|0.037958|0.037861|0.043949|0.045718|0.054827|0.056527|0.048871|0.052476|0.042198|0.041893|0.121286|0.116271|0.181751|0.500000| |1.203031|1.270301|1.309360|1.985820|0.041827|1.515107|1.719864|2.395334|1.688536|1.493350|1.989603|1.987049|1.773701|1.812177|15.276064|2.269615|3.595151|2.588328|3.025698|21.691022|4.015818|5.068287|7.871622|9.703724|8.849445|17.542029|8.796592|5.479786|4.836463|5.498402|1.632619|1.471816|1.446050|1.563502|0.032632|0.032511|0.035856|0.035538|0.035225|0.040233|0.040947|0.048604|0.050105|0.047006|0.049135|0.040082|0.039651|0.116964|0.102555|0.189119|0.215697|0.500000| |1.169603|1.226223|1.265821|1.913678|0.039928|1.475211|1.671165|2.331056|1.620663|1.439070|1.943634|1.968284|1.772113|1.831148|15.576154|2.267116|3.566938|2.515402|2.927272|20.585793|3.898242|4.747567|7.126400|9.703998|8.855315|17.468606|8.851657|6.775454|5.662343|6.796409|1.660183|1.483409|1.456215|1.558418|0.031938|0.031576|0.034351|0.034204|0.034327|0.039549|0.039851|0.047801|0.048029|0.045198|0.046482|0.038376|0.038587|0.109565|0.107287|0.217178|0.174214|0.302496|0.500000| |1.119320|1.171348|1.189985|1.781201|0.037588|1.361668|1.519887|2.071691|1.460237|1.317573|1.678049|1.649758|1.489113|1.503116|12.244758|1.826297|2.827509|2.093814|2.537510|17.614150|2.965191|3.760312|6.614177|6.273065|6.787333|8.859430|17.505882|8.851094|6.784438|5.660239|1.371443|1.257912|1.249473|1.342232|0.030311|0.030534|0.033171|0.032234|0.032009|0.036162|0.037320|0.043150|0.044367|0.040191|0.042432|0.035440|0.035041|0.081330|0.077449|0.114958|0.200969|0.214860|0.173826|0.500000| |1.055476|1.102933|1.127688|1.682819|0.035274|1.283861|1.427749|1.969453|1.390117|1.255757|1.600157|1.601036|1.462453|1.496791|12.279005|1.785889|2.732322|1.973450|2.384121|16.019139|2.745727|3.290849|5.496557|5.647381|5.497849|8.840576|17.546574|8.806026|5.490402|4.840348|1.378689|1.256500|1.236140|1.314967|0.028722|0.028702|0.031077|0.030622|0.030494|0.034358|0.034989|0.040519|0.041237|0.038616|0.040065|0.033812|0.033617|0.076975|0.073768|0.112611|0.140044|0.211881|0.215335|0.303659|0.500000| |1.038193|1.075178|1.088666|1.614980|0.033793|1.244531|1.375001|1.865694|1.303243|1.189266|1.499962|1.484399|1.357659|1.376238|11.104605|1.631566|2.483925|1.826261|2.238487|14.968655|2.471081|2.991510|5.243552|4.858365|4.832466|5.485607|8.824467|17.543843|8.814154|5.487365|1.270479|1.167137|1.162571|1.233902|0.028289|0.028394|0.030255|0.029379|0.029511|0.033365|0.034255|0.039438|0.039646|0.035840|0.037383|0.031870|0.031935|0.066277|0.067664|0.093467|0.127362|0.123100|0.139250|0.215098|0.211516|0.500000| |1.067627|1.106584|1.128636|1.682422|0.035025|1.302680|1.449412|1.984682|1.376407|1.247366|1.615225|1.617731|1.478736|1.513775|12.416491|1.805428|2.763202|1.995518|2.407444|16.211737|2.787139|3.344495|5.572693|5.748326|5.646077|6.763251|8.849949|17.496845|8.849580|6.776423|1.394952|1.267048|1.256570|1.330514|0.029207|0.029052|0.030981|0.030409|0.030713|0.035078|0.035630|0.041761|0.041505|0.038042|0.039251|0.033282|0.033624|0.074770|0.078288|0.115674|0.131524|0.138966|0.199191|0.173749|0.214689|0.303444|0.500000| |1.179642|1.223541|1.231753|1.843012|0.038794|1.434463|1.603166|2.142437|1.480873|1.342834|1.728465|1.676239|1.503613|1.501174|12.115372|1.838505|2.859987|2.164094|2.640439|18.688171|3.053538|3.995062|7.504085|6.243087|6.787714|5.659916|6.785048|8.849131|17.502889|8.853157|1.363339|1.254766|1.265553|1.362281|0.031999|0.032316|0.034542|0.033017|0.033227|0.038117|0.039721|0.046315|0.046742|0.040244|0.042763|0.035754|0.035815|0.078461|0.081860|0.109584|0.201376|0.126795|0.131150|0.199571|0.139275|0.214783|0.173712|0.500000| |1.140252|1.175393|1.186387|1.768769|0.036912|1.385983|1.543233|2.069575|1.418740|1.291263|1.671831|1.640036|1.484288|1.493069|12.064023|1.803605|2.778721|2.069884|2.525055|17.361166|2.859389|3.548975|6.341025|5.606830|5.492842|4.834231|5.490771|8.808860|17.545831|8.833486|1.364902|1.250992|1.261222|1.345407|0.031137|0.031191|0.032945|0.031719|0.032238|0.037173|0.038323|0.044965|0.044416|0.038678|0.040505|0.034246|0.034731|0.073075|0.080150|0.104633|0.140166|0.106561|0.126762|0.139305|0.123118|0.211338|0.214646|0.303711|0.500000| |1.238362|1.285969|1.316034|1.990342|0.041369|1.568389|1.783003|2.432625|1.648846|1.471933|2.022846|2.013751|1.796859|1.828107|15.319256|2.291030|3.633401|2.639602|3.087648|22.349666|4.106062|5.246937|8.268955|9.607037|8.869460|6.808252|5.674563|6.782754|8.833322|17.486171|1.646362|1.478568|1.481911|1.590046|0.033915|0.033542|0.035866|0.035135|0.035830|0.042131|0.042790|0.052184|0.051061|0.045274|0.046916|0.038773|0.039621|0.102916|0.120028|0.186812|0.174503|0.139841|0.200954|0.131284|0.127073|0.139238|0.199564|0.173572|0.214381|0.500000| |1.332973|1.384469|1.403783|2.131524|0.044637|1.691231|1.933687|2.583115|1.741242|1.554495|2.133741|2.064665|1.814441|1.807304|14.886845|2.308781|3.707309|2.820419|3.332007|25.441517|4.406819|6.214315|11.235960|9.541278|8.863293|5.505136|4.841548|5.484539|8.796183|17.558672|1.611357|1.464107|1.487534|1.616336|0.036301|0.036256|0.038805|0.037288|0.037993|0.044972|0.046585|0.056894|0.056143|0.047143|0.049972|0.040823|0.041525|0.104720|0.122403|0.157920|0.216394|0.123701|0.139780|0.126812|0.106679|0.123065|0.139147|0.214622|0.211580|0.302436|0.500000| |1.665181|1.754257|1.989784|3.017626|0.057618|2.321986|2.537305|4.138491|2.827315|2.536153|3.382562|4.428433|6.041346|8.962914|43.247113|4.373374|4.665361|2.928169|3.940148|16.621469|2.328223|1.970684|3.228499|2.569612|1.655044|1.586589|1.410253|1.369787|1.413643|1.591570|17.520800|8.810236|6.570440|5.276320|0.047807|0.042577|0.046221|0.053844|0.057652|0.068538|0.057678|0.071108|0.064107|0.087614|0.070340|0.065270|0.075691|0.066821|0.069242|0.055752|0.043860|0.044545|0.045908|0.037648|0.038012|0.035297|0.038950|0.037740|0.038151|0.046087|0.044809|0.500000| |1.611511|1.720384|1.960060|2.982325|0.057670|2.224046|2.437255|4.030936|2.898079|2.561810|3.308531|4.336012|5.771723|8.916042|45.506458|4.384080|4.681672|2.907085|3.878567|16.530413|2.335693|1.975780|3.225636|2.587366|1.664051|1.614183|1.429935|1.370236|1.400865|1.572806|17.550518|8.804833|5.521206|4.884291|0.045753|0.041259|0.045810|0.053971|0.055947|0.064294|0.055140|0.066532|0.062834|0.093022|0.073263|0.067507|0.075026|0.068907|0.067957|0.056273|0.044260|0.045921|0.046595|0.038272|0.038754|0.035319|0.038835|0.037517|0.037495|0.045273|0.043912|0.303961|0.500000| |1.723718|1.819602|2.103501|3.098605|0.058341|2.296274|2.387892|3.882085|2.812436|2.669011|2.929564|3.560296|4.881118|5.570816|27.286198|3.239492|3.603987|2.398483|3.373471|13.985942|1.905374|1.653931|2.766031|2.149095|1.409679|1.357832|1.224867|1.187147|1.221724|1.353603|8.851166|17.568218|8.812154|5.491913|0.049873|0.043719|0.047551|0.058002|0.061873|0.068767|0.056774|0.064975|0.060137|0.088689|0.068969|0.070291|0.082293|0.054666|0.055062|0.045884|0.037884|0.038340|0.038833|0.033027|0.033140|0.030887|0.033509|0.032946|0.032998|0.038711|0.038149|0.220272|0.206009|0.500000| |1.854893|2.000800|2.359811|3.551602|0.067032|2.558875|2.692544|4.564485|3.467099|3.207988|3.435972|4.257906|6.118870|6.631086|30.490690|3.730191|4.048799|2.698006|3.850672|15.390735|2.065086|1.773635|2.968253|2.282494|1.486392|1.429340|1.282021|1.230673|1.266952|1.408532|8.845307|17.522340|8.856238|6.943409|0.053045|0.046744|0.052588|0.065967|0.068404|0.075407|0.062155|0.071204|0.068076|0.115931|0.084019|0.085422|0.098174|0.060012|0.058711|0.048559|0.040182|0.040719|0.040614|0.034729|0.034633|0.031961|0.034533|0.034325|0.033979|0.039983|0.039700|0.174130|0.220182|0.303287|0.500000| |2.064201|2.162459|2.527291|3.801409|0.069576|2.973811|3.102469|5.112700|3.409105|3.231823|3.780320|4.598748|6.644406|6.266911|29.283218|3.846699|4.189375|2.855259|4.166291|16.187575|2.129372|1.825890|3.075070|2.326218|1.514600|1.428611|1.284922|1.256389|1.314134|1.469124|6.972617|8.862063|17.527553|8.852914|0.060669|0.051690|0.055404|0.067246|0.076132|0.093049|0.072071|0.086610|0.074604|0.103440|0.080210|0.080374|0.103452|0.059549|0.062205|0.049245|0.040775|0.039981|0.040670|0.034701|0.034388|0.032588|0.035357|0.035488|0.035641|0.041952|0.042012|0.196238|0.140322|0.210758|0.173754|0.500000| |2.188210|2.318992|2.791249|4.096885|0.073957|3.034626|3.024701|5.005323|3.614402|3.632562|3.469674|3.996419|5.534969|4.943356|24.194481|3.284944|3.669091|2.565033|3.823141|14.801446|1.925216|1.672128|2.844533|2.128728|1.397842|1.325547|1.199675|1.166623|1.215386|1.346811|5.502023|8.815401|17.549147|8.843341|0.064466|0.054201|0.059039|0.076055|0.085208|0.095256|0.072873|0.080966|0.073238|0.112473|0.083861|0.092547|0.121532|0.054289|0.055061|0.044737|0.037965|0.037348|0.037474|0.032608|0.032202|0.030408|0.032661|0.033041|0.032875|0.038136|0.038429|0.137968|0.123357|0.214668|0.210644|0.303241|0.500000| |2.480136|2.757546|3.465157|5.577516|0.100161|3.971211|4.175395|7.992037|6.277387|5.680064|5.312256|6.175367|8.880138|6.123866|29.380177|4.434893|4.756539|3.385616|5.318766|18.516624|2.319351|1.968309|3.351159|2.455155|1.587862|1.492933|1.336117|1.284706|1.344176|1.504085|5.316311|6.623334|8.864341|17.483940|0.070910|0.060723|0.071047|0.095031|0.101195|0.119403|0.090142|0.104733|0.099747|0.227115|0.132184|0.138640|0.188550|0.066092|0.064971|0.051298|0.043437|0.042457|0.041849|0.036508|0.035672|0.033318|0.035694|0.036736|0.036007|0.042196|0.043049|0.121254|0.123782|0.138757|0.198070|0.174565|0.220861|0.500000| 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