Version2.0 2020-01-24T03:27:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[C@@]1(C(=O)N(C(=O)N1)CC[C@H]2CCC[NH+]2C)C3CCN(CC3)C(=O)c4ccc(cc4)NC(=O)C C12056729 RHF 6-31G(d) (6D,7F) CCC[C@@]1(C(=O)N(C(=O)N1)CC[C@H]2CCC[NH+]2C)C3CCN(CC3)C(=O)c4ccc(cc4)NC(=O)C C01[X(C27H40N5O4)] 222 C1 620 CCC[C@]1(NC(=O)N(C1=O)CC[C@H]1CCC[NH+]1C)C1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)C CCC[C@]1(NC(=O)N(C1=O)CC[C@H]1CCC[NH+]1C)C1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)C CCC[C@]1(NC(=O)N(CC[C@H]2CCC[NH+]2C)C1=O)C3CCN(CC3)C(=O)c4ccc(NC(C)=O)cc4 InChIKey=PAEQTAVIWQFAOV-KCWPFWIISA-O InChI=1S/C27H39N5O4/c1-4-14-27(25(35)32(26(36)29-27)18-13-23-6-5-15-30(23)3)21-11-16-31(17-12-21)24(34)20-7-9-22(10-8-20)28-19(2)33/h7-10,21,23H,4-6,11-18H2,1-3H3,(H,28,33)(H,29,36)/p+1/t23-,27+/m1/s1 InChI=1/C27H39N5O4/c1-4-14-27(25(35)32(26(36)29-27)18-13-23-6-5-15-30(23)3)21-11-16-31(17-12-21)24(34)20-7-9-22(10-8-20)28-19(2)33/h7-10,21,23H,4-6,11-18H2,1-3H3,(H,28,33)(H,29,36)/p+1/t23-,27+/m1/s1/fC27H40N5O4/h28-30H/q+1 CCC[C@@]1(C(=O)N(C(=O)N1)CC[C@H]2CCC[NH+]2C)C3CCN(CC3)C(=O)c4ccc(cc4)NC(=O)C C01[X(C27H40N5O4)] 222 C01 620 CCC[C@]1(NC(=O)N(C1=O)CC[C@H]1CCC[NH+]1C)C1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)C CCC[C@]1(NC(=O)N(C1=O)CC[C@H]1CCC[NH]1C)C1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)C CCC[C@]1(NC(=O)N(CC[C@H]2CCC[NH]2C)C1=O)C3CCN(CC3)C(=O)c4ccc(NC(C)=O)cc4 InChIKey=AVZQQFSYBFWOHX-KCWPFWIISA-N InChI=1S/C27H40N5O4/c1-4-14-27(25(35)32(26(36)29-27)18-13-23-6-5-15-30(23)3)21-11-16-31(17-12-21)24(34)20-7-9-22(10-8-20)28-19(2)33/h7-10,21,23,30H,4-6,11-18H2,1-3H3,(H,28,33)(H,29,36)/t23-,27+/m1/s1 InChI=1/C27H40N5O4/c1-4-14-27(25(35)32(26(36)29-27)18-13-23-6-5-15-30(23)3)21-11-16-31(17-12-21)24(34)20-7-9-22(10-8-20)28-19(2)33/h7-10,21,23,30H,4-6,11-18H2,1-3H3,(H,28,33)(H,29,36)/t23-,27+/m1/s1/f/h28-29H 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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 14411.2392 20430.4575 31428.3877 0.99956 -0.02950 -0.00266 0.02948 0.99954 -0.00721 0.00287 0.00713 0.99997 1 0.00601 0.00424 0.00276 0.12523 0.08834 0.05742 18.36 29.79 46.10 51.33 56.12 65.90 73.09 83.37 92.02 95.45 100.25 103.20 116.76 128.99 143.68 149.74 168.72 176.66 195.38 221.00 258.74 272.41 293.88 303.90 323.59 356.11 376.55 382.46 395.60 409.12 416.43 440.65 447.11 462.34 488.08 515.00 552.67 560.80 566.06 607.38 613.42 640.49 660.01 675.49 685.21 686.07 702.27 718.31 732.98 766.01 770.64 807.00 879.02 898.29 907.68 933.95 959.85 971.28 996.53 1008.14 1017.06 1033.62 1060.95 1101.76 1121.63 1154.13 1167.73 1174.31 1230.23 1239.26 1266.82 1281.32 1284.40 1300.88 1309.49 1317.24 1360.88 1365.46 1377.57 1387.13 1402.67 1418.11 1425.95 1438.17 1473.52 1497.26 1518.36 1535.63 1544.00 1551.47 1561.53 1576.59 1581.75 1590.80 1591.80 1597.27 1601.80 1608.90 1614.88 1642.73 1653.18 1679.56 1681.59 1687.83 1722.05 1725.12 1735.71 1737.64 1778.79 1793.79 1808.33 1821.54 1834.19 1855.42 1869.28 1876.87 1881.10 1896.59 1918.44 1919.59 1935.50 1954.57 1987.80 1994.49 2005.47 2015.21 2028.46 2033.08 2049.18 2059.49 2070.09 2085.75 2096.68 2102.33 2113.56 2115.98 2129.66 2144.55 2166.07 2170.13 2184.82 2197.29 2200.62 2208.18 2219.51 2231.92 2233.77 2237.41 2248.24 2256.35 2259.57 2259.99 2269.13 2310.25 2316.87 2322.85 2337.94 2344.03 2345.31 2346.45 2354.15 2355.85 2357.34 2362.44 2363.98 2365.30 2365.86 2373.06 2375.05 2382.08 2382.76 2394.55 2400.24 2425.91 2427.74 2452.65 2561.45 2619.34 2765.78 2787.41 2798.40 2937.29 4565.31 4604.61 4607.03 4614.30 4621.65 4637.91 4641.23 4649.29 4655.51 4661.51 4667.59 4673.59 4681.34 4683.43 4687.26 4702.41 4706.95 4715.88 4718.68 4721.83 4730.41 4738.06 4742.08 4750.74 4771.47 4796.29 4801.32 4803.74 4807.62 4825.37 4826.65 4829.91 4831.67 4842.17 4868.95 4874.96 4918.46 5018.59 5573.34 5591.90 0.712718 0.746371 0.747315 0.643867 -1616.647754 -1616.614101 -1616.613157 -1616.716605 3.469663D-04 MUNgauss RevisionA2.0 retrievium 24-Jan-2020 DUDE CCC[C@@]1(C(=O)N(C(=O)N1)CC[C@H]2CCC[NH+]2C)C3CCN(CC3)C(=O)c4ccc(cc4)NC(=O)C C12056729 RHF 6-31G(d) (6D,10F) C1 498.308030 |X|Y|Z| 102.673923 84.357300 33.876850 66.450045 25 6 7 21 4 |36.858105| |12.458851|36.858105| |7.524721|12.437929|36.858105| |4.836354|7.328606|12.376414|36.858105| |4.263530|6.190764|7.545265|12.430878|36.858105| |4.008111|5.313669|6.227875|7.786710|16.066887|73.516695| |3.699114|5.217773|5.496373|8.114397|13.791807|14.870516|53.358707| |3.696621|5.237686|5.486207|8.123068|8.364869|9.928260|18.850524|36.858105| |3.156709|4.170563|4.156987|5.409631|5.547444|7.504780|11.337868|15.705220|73.516695| |4.303752|6.376724|7.648794|13.001289|8.325846|9.808985|11.841747|14.279716|14.779330|53.358707| |3.090934|4.017347|3.988718|5.066018|7.591362|11.698861|17.876171|7.641233|11.804474|7.238386|36.858105| |2.511130|3.113793|3.214903|4.086923|5.393548|8.736875|10.328336|5.885958|10.281728|5.918894|12.307008|36.858105| |2.216799|2.670947|2.673020|3.228957|3.901222|6.372087|7.067781|4.707336|9.318785|4.863845|7.324364|12.440523|36.858105| |2.189477|2.604668|2.541593|2.970509|3.613403|6.067305|6.353467|4.148143|8.047757|4.394543|6.828740|8.854096|17.617674|0.500000| |1.907488|2.241593|2.286233|2.726848|3.158266|5.282543|5.272707|3.644940|7.113635|4.030080|4.807979|7.448753|12.434538|0.242277|36.858105| |1.881666|2.214751|2.292256|2.767754|3.057596|4.967284|5.076741|3.769183|7.637309|4.218327|4.199928|5.971902|7.908821|0.159098|12.474346|36.858105| |1.998817|2.369731|2.397845|2.872608|3.111300|4.917976|5.348655|4.235339|9.430584|4.596448|4.341308|5.538322|7.734632|0.163122|7.980922|12.498733|36.858105| |2.265962|2.743499|2.709338|3.260968|3.700602|5.779297|6.834071|5.235277|12.037933|5.263337|6.070761|7.557155|12.456429|0.250305|7.918089|7.880056|12.579264|53.358707| |2.534439|3.153232|3.122340|3.864577|4.346810|6.485402|8.566436|7.145670|18.858288|6.588273|7.022388|7.763947|9.108255|0.194423|6.043105|6.393312|9.222753|25.457477|0.500000| |2.201450|2.610558|2.482372|2.848031|3.175286|5.055771|5.608155|4.317977|9.730807|4.556631|4.904829|5.206578|7.538621|0.214053|5.559174|5.247050|7.645049|17.469266|0.262385|36.858105| |3.730690|4.793044|7.388374|12.197776|7.443186|10.698359|7.613454|5.644476|7.646994|10.451943|4.035283|3.638225|2.909035|0.073257|2.583802|2.682548|2.689080|3.947599|0.092736|2.496432|36.858105| |2.952081|3.689409|4.832349|7.419313|6.300438|9.250903|7.608373|5.692410|8.149039|8.912347|4.240975|4.196640|3.297773|0.080127|3.003613|3.214765|3.120113|4.438631|0.103942|2.686645|12.365142|36.858105| |2.489596|2.937898|3.718144|4.845123|4.320004|7.016141|5.310949|3.927259|6.081227|5.936453|3.257310|3.358244|2.768802|0.068105|2.650336|2.858924|2.697333|3.691372|0.083154|2.278134|7.483187|12.470129|36.858105| |2.451619|2.823260|3.585260|4.383332|4.091480|7.163329|4.779515|3.348299|5.155848|5.014036|3.014375|3.052822|2.508853|0.063074|2.403826|2.500592|2.340831|3.257320|0.072164|2.050919|6.514792|7.769285|13.104014|53.358707| |2.784218|3.156924|4.203409|4.815774|4.218662|7.482922|4.672712|3.283651|4.962751|5.156369|2.879555|2.775117|2.298749|0.058831|2.155572|2.214889|2.130331|3.019763|0.067394|1.943925|7.466943|6.561955|7.941217|17.775008|36.858105| |3.531557|4.195915|6.204548|7.326716|5.979424|10.476437|5.949933|4.070518|5.832251|6.696796|3.458072|3.152775|2.544516|0.065411|2.304351|2.335527|2.290206|3.347597|0.076110|2.157638|12.335302|7.490837|6.550260|10.518127|12.423135|36.858105| |2.274802|2.601616|3.179590|3.822590|3.907344|7.238624|4.619184|3.096570|4.823881|4.414693|3.055392|3.169059|2.577891|0.065128|2.503131|2.538876|2.316285|3.237406|0.070432|2.034234|5.006286|5.920549|7.683991|18.890403|7.909491|6.000650|36.858105| |2.280024|2.561724|3.098602|3.558358|3.727543|7.289502|4.308737|2.828944|4.400209|4.025862|2.899848|2.933577|2.399747|0.061826|2.311419|2.290223|2.106371|2.986488|0.064556|1.909578|4.408641|4.677348|5.379800|11.515381|7.096148|5.732439|15.887460|73.516695| |2.040329|2.341193|2.753468|3.346401|3.544688|6.445389|4.482278|3.013243|4.842455|4.104250|3.099280|3.429161|2.812501|0.069941|2.836615|2.894295|2.535390|3.464951|0.074028|2.138427|4.089922|5.252175|6.519639|10.498952|5.032803|4.323935|12.657343|14.450647|36.858105| |2.033936|2.348683|2.691711|3.274666|3.707381|6.932308|4.806805|3.100165|5.008987|4.052085|3.501280|4.031964|3.223041|0.080119|3.276601|3.200788|2.727350|3.788926|0.079661|2.315549|3.725735|4.640550|4.920351|7.320129|4.062111|3.855444|7.718184|11.653459|13.707705|36.858105| |1.832637|2.102161|2.342071|2.809148|3.169202|5.797458|4.332594|2.849592|4.775917|3.629192|3.298401|4.025864|3.384389|0.083546|3.669385|3.560050|2.889135|3.904298|0.079745|2.371992|3.078905|3.806162|3.961989|5.478346|3.186709|3.066734|5.071103|7.970736|7.906374|13.792488|36.858105| |1.681369|1.911315|2.124485|2.522872|2.731863|4.868175|3.774978|2.589091|4.433444|3.335238|2.823000|3.412516|3.029754|0.074525|3.395374|3.488945|2.809383|3.639708|0.073990|2.225734|2.801808|3.493618|3.816670|5.093853|2.939991|2.749776|4.445913|6.804657|6.847374|7.953884|13.728659|36.858105| |1.679920|1.900397|2.146201|2.542799|2.652802|4.674608|3.592636|2.522774|4.290250|3.345042|2.587131|3.007190|2.667670|0.065852|2.897935|3.081546|2.584510|3.330743|0.068992|2.057208|2.931977|3.706143|4.402186|5.858428|3.243661|2.895760|4.997344|7.264721|7.926125|6.899146|7.939404|13.734717|36.858105| |1.832557|2.078884|2.408286|2.876490|2.949171|5.217877|3.854829|2.695492|4.462692|3.672520|2.684965|3.013440|2.589176|0.064195|2.694691|2.842218|2.469211|3.261775|0.069020|2.022007|3.478612|4.470615|5.860091|8.315399|4.185098|3.535054|7.461479|9.721366|13.739111|7.959495|6.871080|7.926683|13.755209|36.858105| |1.528691|1.723688|1.878124|2.193222|2.369311|4.200454|3.344282|2.323319|4.076700|2.959875|2.557334|3.118939|2.929635|0.072710|3.448904|3.548586|2.793660|3.528935|0.070051|2.184209|2.370414|2.871106|3.047485|4.006841|2.420272|2.302337|3.341843|5.316332|4.538141|5.152378|7.810334|13.454906|7.874192|5.160747|53.358707| |1.518693|1.718618|1.843668|2.153200|2.353036|4.137272|3.415135|2.377243|4.256742|2.961721|2.685143|3.384038|3.326197|0.082035|4.187167|4.261701|3.185016|3.940610|0.076181|2.422053|2.265047|2.720305|2.768256|3.568309|2.209720|2.159641|2.902363|4.676528|3.732318|4.333199|6.208696|7.733932|5.328991|3.996330|19.080413|36.858105| |1.635684|1.873251|1.999269|2.366890|2.638142|4.602150|3.928648|2.707610|4.887554|3.290374|3.170622|4.226212|4.206489|0.100779|5.662545|5.577792|3.866561|4.780196|0.090821|2.845524|2.445995|2.961689|2.901829|3.682155|2.292157|2.292242|2.972725|4.779405|3.767257|4.526863|6.352670|6.716788|4.762204|3.831562|11.500870|15.829987|73.516695| |1.362038|1.522363|1.613908|1.847733|1.995192|3.511126|2.891079|2.038237|3.690325|2.556386|2.273100|2.773168|2.832621|0.071846|3.549780|3.610569|2.811838|3.445890|0.065994|2.191752|1.925676|2.250878|2.293423|2.975978|1.887871|1.844747|2.379655|3.907833|2.920754|3.258796|4.242832|5.040167|4.007936|3.146573|10.716590|12.599863|14.227198|36.858105| |17.568560|8.794208|5.479903|4.007680|3.728006|6.284789|4.629263|3.405276|5.341508|5.138729|2.951846|2.399195|2.160904|0.060065|1.854736|1.818460|1.947609|3.022012|0.068420|2.204353|3.152067|2.605753|2.219523|2.962851|2.418228|2.974236|2.046731|3.648106|1.867372|1.879493|1.716228|1.578728|1.566967|1.689761|1.972976|1.450426|2.780536|1.309730|0.500000| |17.545469|8.770208|6.823796|4.485394|3.749461|6.183973|4.493429|3.419797|5.280431|5.574068|2.756040|2.305153|2.056023|0.055960|1.794242|1.794201|1.908043|2.892376|0.065947|2.060928|3.647998|2.874796|2.465051|3.283707|2.766099|3.435351|2.202575|3.897207|1.969281|1.934934|1.746569|1.620437|1.635448|1.788577|2.007506|1.459769|2.778236|1.313775|0.301949|0.500000| 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|8.886214|17.517921|8.825849|6.708186|6.978631|11.120810|8.040837|5.365921|7.570518|7.922368|4.683320|3.439200|2.909439|0.080046|2.392808|2.310766|2.461882|3.977515|0.092761|2.792171|4.421354|3.569205|2.836688|3.751158|3.015574|3.978181|2.611702|4.616818|2.378202|2.441131|2.190826|1.964556|1.924684|2.090031|2.415599|1.780507|3.476260|1.573217|0.213570|0.173198|0.211685|0.303161|0.500000| |6.959681|8.889059|17.602087|8.928161|6.934728|11.880955|6.559927|4.471724|6.234767|7.637820|3.707252|3.034326|2.508659|0.066792|2.172915|2.150940|2.206322|3.371813|0.077650|2.272442|6.788807|4.502547|3.633184|5.053147|4.543014|7.023530|3.351787|6.005217|2.822866|2.759636|2.364271|2.123680|2.145301|2.430108|2.540136|1.816553|3.478672|1.589998|0.141675|0.171152|0.206924|0.173857|0.212137|0.500000| |6.905314|8.843273|17.517379|8.905161|5.520474|8.349841|6.034593|4.733043|6.723398|9.207341|3.353445|2.827249|2.412918|0.063474|2.105865|2.147950|2.254174|3.384502|0.079137|2.291437|6.996738|4.584542|3.682163|4.769837|4.197363|5.839397|3.016403|5.173203|2.604442|2.489363|2.181328|2.015556|2.067170|2.326083|2.434545|1.747941|3.338549|1.540488|0.141001|0.205427|0.169614|0.211221|0.173347|0.303618|0.500000| |4.048316|5.568191|6.491910|8.697323|5.840294|7.682444|8.280033|9.373262|13.045758|26.048065|4.264443|3.697533|3.194473|0.080370|2.725450|2.924444|3.231980|4.845581|0.121937|3.142348|6.671808|5.848446|4.176824|4.706248|3.568221|4.406172|2.986883|4.816515|2.788379|2.700634|2.449832|2.302694|2.342768|2.562563|2.807121|2.060630|4.027733|1.797330|0.099519|0.112183|0.097870|0.181834|0.134681|0.134848|0.182655|0.500000| |3.088005|3.964073|3.698890|4.413497|5.910282|9.186741|12.582256|7.018829|12.188896|6.652893|17.587147|8.690450|7.248201|0.208733|4.596590|4.009993|4.424946|9.051645|0.212426|5.945661|3.484903|3.570730|2.820980|3.549126|2.527683|2.999065|2.612806|4.438949|2.643704|2.931108|2.818798|2.478392|2.287110|2.348582|3.127674|2.438512|5.076211|2.114128|0.084182|0.076228|0.080477|0.113988|0.129349|0.094118|0.087718|0.112827|0.500000| |3.125710|3.972474|3.929316|4.744624|7.481008|13.737845|12.772887|5.751182|8.742804|6.186760|17.663320|8.773172|5.774128|0.161590|4.173150|3.567156|3.559804|6.330464|0.140388|4.015338|3.838261|3.894900|3.086148|4.049835|2.882731|3.485249|3.091872|5.375399|3.090832|3.558142|3.296798|2.758649|2.513769|2.627009|3.384841|2.582159|5.344638|2.194911|0.082949|0.076226|0.085055|0.105579|0.133259|0.105925|0.090420|0.102790|0.304291|0.500000| |2.348844|2.844461|2.960802|3.659917|4.851050|8.554531|8.109812|4.595908|7.797875|5.008637|8.816439|17.588982|9.027604|0.212532|6.986421|5.228890|4.512952|7.566211|0.150849|4.238386|3.372349|3.864443|3.229665|4.145295|2.744321|3.066424|3.289496|5.507196|3.635663|4.532846|4.619157|3.716456|3.158633|3.133985|4.604691|3.675367|8.251081|2.963587|0.062328|0.059840|0.063975|0.077944|0.087629|0.079915|0.072461|0.088105|0.182469|0.232427|0.500000| |2.491316|3.102609|3.331549|4.428643|5.559472|8.628770|10.303120|6.389726|11.007861|6.514307|8.780691|17.581811|8.835502|0.173772|6.854938|6.549339|5.806160|9.427878|0.211680|4.630285|4.129040|5.157362|4.015819|4.763646|3.082288|3.458708|3.582195|5.683022|3.958114|4.571741|4.517234|3.876366|3.456818|3.486002|4.687610|3.676550|8.183743|2.930438|0.065202|0.064448|0.066472|0.087284|0.092365|0.086605|0.082517|0.113524|0.180965|0.184278|0.306107|0.500000| |1.772199|2.051536|2.062390|2.398799|2.739238|4.632144|4.479274|3.136385|6.159396|3.536860|4.034987|5.518449|8.825839|0.222994|17.548625|8.828330|6.910405|9.136012|0.140617|5.543933|2.265293|2.570444|2.303883|2.878692|1.921284|2.045144|2.198340|3.654157|2.462003|2.807514|3.138584|2.955801|2.549442|2.363922|4.196047|3.765167|8.605244|3.391411|0.048318|0.046379|0.047464|0.058653|0.060806|0.054614|0.053083|0.067266|0.112208|0.100279|0.148388|0.138565|0.500000| |1.856271|2.168269|2.241303|2.672374|3.129955|5.375946|5.036180|3.369852|6.284725|3.824424|4.556894|7.110485|8.715037|0.192912|17.646160|8.742880|5.686592|7.742986|0.133829|4.305074|2.583249|3.028461|2.724837|3.422743|2.225159|2.352548|2.685431|4.419139|3.123335|3.749170|4.394749|3.956975|3.226245|2.945354|5.523696|5.094011|13.288607|4.114326|0.049867|0.048466|0.050222|0.060898|0.064407|0.060033|0.057228|0.071458|0.115686|0.115343|0.217479|0.185571|0.302058|0.500000| |1.704038|1.973023|2.041364|2.416503|2.618635|4.315418|4.197639|3.134195|6.259724|3.637569|3.398209|4.510160|5.654813|0.126849|8.720847|17.621398|8.793736|7.769812|0.133493|4.372166|2.379905|2.824752|2.600107|3.123164|2.031709|2.105646|2.334892|3.757000|2.679142|2.926965|3.322878|3.389168|3.001451|2.702007|4.917538|4.488652|10.125609|3.990481|0.045874|0.045431|0.045401|0.056899|0.056786|0.053557|0.053713|0.071220|0.091186|0.082927|0.116028|0.134849|0.217459|0.198662|0.500000| |1.955227|2.319065|2.458608|3.043083|3.339130|5.377002|5.481348|4.074004|7.992285|4.610469|4.339510|6.261679|6.795340|0.137585|8.802994|17.603040|8.774763|8.929563|0.168561|4.427430|3.028874|3.799649|3.377673|3.923782|2.492132|2.606384|2.919542|4.577520|3.402024|3.741582|4.164386|4.116047|3.646011|3.355573|5.499166|4.717270|11.070520|3.765566|0.051893|0.051947|0.052041|0.066595|0.066726|0.064099|0.064077|0.088445|0.109856|0.102244|0.152535|0.218529|0.173798|0.217211|0.303607|0.500000| |1.847679|2.152637|2.148107|2.502972|2.688106|4.320769|4.494016|3.528303|7.699049|3.951139|3.660803|4.428732|6.199564|0.146980|6.716959|8.801885|17.631279|12.309363|0.186859|7.754811|2.343584|2.654318|2.343988|2.814084|1.901025|2.031215|2.051835|3.354376|2.233327|2.394236|2.550065|2.503443|2.308345|2.192751|3.459118|2.916877|6.154468|2.672232|0.050497|0.049122|0.048351|0.063812|0.062077|0.055204|0.056457|0.078143|0.106659|0.086225|0.105387|0.123440|0.189871|0.136926|0.221068|0.174053|0.500000| |2.057758|2.449247|2.501435|3.019479|3.148186|4.876847|5.365167|4.530721|10.497511|4.992591|4.057855|4.855733|5.831491|0.128836|5.711993|8.609954|17.641267|12.244209|0.242362|6.275719|2.849591|3.333504|2.866194|3.305952|2.213289|2.374681|2.351314|3.763215|2.546084|2.665556|2.770335|2.733529|2.587257|2.503935|3.645386|2.969401|6.215896|2.622450|0.055394|0.055106|0.053382|0.073430|0.069428|0.063134|0.066169|0.100174|0.113847|0.092384|0.110086|0.149651|0.138715|0.126068|0.192344|0.216298|0.301096|0.500000| |2.173670|2.559238|2.425864|2.754233|2.954359|4.655671|5.102538|4.159239|9.718171|4.508618|4.139591|4.265282|5.528579|0.149781|4.512713|4.667589|7.114418|12.358529|0.225109|17.640286|2.425569|2.594048|2.212147|2.687321|1.881628|2.079265|1.931785|3.212542|2.016325|2.142760|2.182378|2.080194|1.954295|1.927527|2.780141|2.243378|4.601520|2.050198|0.060633|0.057183|0.055690|0.078356|0.074522|0.061093|0.063170|0.088919|0.135374|0.095582|0.098176|0.111521|0.124837|0.100590|0.112367|0.112284|0.212211|0.182896|0.500000| |2.398404|2.861912|2.648259|2.993817|3.407641|5.443269|6.081538|4.537823|9.846832|4.746401|5.499523|5.235781|6.853873|0.216638|4.771992|4.302876|5.573152|12.323491|0.227540|17.650449|2.550228|2.673181|2.243003|2.783309|1.965394|2.215956|2.030901|3.425582|2.103026|2.283302|2.301646|2.127872|1.970989|1.961344|2.810180|2.257880|4.674937|2.037999|0.067397|0.061508|0.061821|0.086171|0.086827|0.067275|0.066979|0.089326|0.205662|0.125696|0.119118|0.123974|0.130328|0.108645|0.100752|0.106108|0.150417|0.135735|0.300299|0.500000| |1.978383|2.299670|2.199587|2.490986|2.779401|4.542815|4.720960|3.521810|7.500803|3.864432|4.167006|4.607001|6.930261|0.212920|5.782890|5.160159|6.889548|12.319704|0.181624|17.636564|2.229666|2.406127|2.088242|2.588290|1.795102|1.966256|1.907263|3.199763|2.024404|2.208233|2.301422|2.171338|1.987203|1.927936|2.954519|2.444647|5.107540|2.250768|0.055179|0.051583|0.051719|0.068129|0.068322|0.056768|0.056678|0.074446|0.134659|0.099401|0.110381|0.113278|0.178500|0.123142|0.125048|0.116153|0.221065|0.149652|0.299021|0.299139|0.500000| |3.698533|4.573322|6.888426|8.964212|5.516300|8.151074|6.210083|4.979883|7.111133|9.639336|3.423785|3.129251|2.610270|0.066090|2.349019|2.479759|2.524454|3.637689|0.085200|2.340307|17.476594|8.926276|6.729343|7.684363|6.695593|8.889482|4.238776|6.678419|3.540667|3.175654|2.704225|2.534120|2.694483|3.164003|2.967281|2.085369|3.962044|1.799015|0.086549|0.105004|0.097917|0.122389|0.111705|0.167968|0.214443|0.197661|0.085280|0.089684|0.080228|0.097781|0.057923|0.064616|0.061932|0.077103|0.061787|0.075502|0.064303|0.066011|0.058147|0.500000| |2.862116|3.592589|4.486275|6.722620|5.593301|7.922496|7.604467|6.451020|9.629128|9.976137|4.237541|4.271918|3.473658|0.083013|3.160500|3.522553|3.514670|4.899459|0.117478|2.921910|8.763045|17.553770|8.893122|7.672973|4.931245|5.471749|4.560438|6.628548|4.375657|3.991291|3.492230|3.311263|3.491998|3.997825|3.818529|2.714691|5.299874|2.264198|0.071125|0.078123|0.075270|0.101648|0.095605|0.110969|0.121194|0.194192|0.101790|0.103550|0.104931|0.149296|0.074907|0.086256|0.085370|0.116836|0.081843|0.108176|0.079610|0.079500|0.071740|0.218767|0.500000| |2.859131|3.591985|4.503365|6.857684|7.234719|10.912919|8.900876|5.910363|8.407976|8.164737|5.085629|5.202903|3.815538|0.091409|3.438477|3.581247|3.370428|4.896522|0.113720|2.891157|8.769387|17.516297|8.971959|9.554393|5.688387|6.601588|6.362048|8.991710|6.030901|5.769321|4.574033|3.970458|4.023259|4.774921|4.348134|3.042729|6.022053|2.458641|0.070994|0.075578|0.077664|0.096339|0.100733|0.119660|0.112874|0.140552|0.112706|0.130154|0.134910|0.184906|0.079989|0.098132|0.085675|0.119283|0.078623|0.097155|0.075731|0.080126|0.072115|0.174091|0.302288|0.500000| |2.447385|2.837793|3.586983|4.449015|3.762481|6.068063|4.672755|3.594267|5.670520|5.616126|2.868282|2.910953|2.478510|0.061561|2.377810|2.591247|2.497543|3.384425|0.076258|2.127652|6.750922|8.817784|17.559294|12.585579|7.341502|5.863581|5.749832|7.861710|4.936458|3.877016|3.276984|3.251310|3.779770|4.805086|3.666911|2.467061|4.548148|2.094322|0.060514|0.068654|0.066581|0.077361|0.074483|0.096225|0.103058|0.115327|0.070809|0.075296|0.077070|0.094595|0.058276|0.067026|0.066344|0.083550|0.061046|0.074737|0.058219|0.058118|0.054198|0.197712|0.213924|0.174549|0.500000| |2.227792|2.608745|3.163264|4.046040|3.814581|6.255963|4.947149|3.660317|5.892076|5.240297|3.164770|3.424631|2.867498|0.069645|2.831821|3.119774|2.858067|3.801176|0.084293|2.314370|5.482691|8.869578|17.700572|12.363399|5.700263|4.875482|7.075922|8.734817|7.462798|5.429511|4.535708|4.587999|5.574855|7.570610|4.855502|3.179128|5.871622|2.584152|0.056060|0.061049|0.060828|0.071287|0.070948|0.085504|0.086360|0.103038|0.076341|0.082574|0.092160|0.116056|0.067911|0.081648|0.079518|0.104980|0.068670|0.084280|0.062290|0.062376|0.059414|0.139546|0.215147|0.218074|0.304490|0.500000| |2.708652|3.018191|3.985144|4.408027|3.685898|6.336939|4.221907|3.085859|4.743629|4.942338|2.602672|2.512743|2.130476|0.054577|2.008315|2.092650|2.036019|2.853675|0.063759|1.852478|6.694088|5.834023|7.309891|12.554520|17.552268|8.778346|5.842791|9.262717|4.208969|3.425229|2.808127|2.671436|2.988476|3.771513|3.052731|2.056993|3.770662|1.779923|0.065383|0.076583|0.076445|0.078359|0.078296|0.116037|0.116689|0.098750|0.064681|0.071372|0.068164|0.077477|0.050078|0.057019|0.053743|0.065113|0.050759|0.059414|0.050367|0.051805|0.047501|0.195120|0.131287|0.133212|0.227286|0.148217|0.500000| |2.619385|2.884684|3.706455|4.018041|3.704748|6.880911|4.132735|2.853556|4.374945|4.366852|2.628192|2.534089|2.119884|0.054899|2.000853|2.028375|1.941124|2.755697|0.060748|1.794104|5.472755|4.900949|5.725698|12.475358|17.693937|8.838133|7.509170|14.386647|4.724107|3.882926|3.048192|2.796780|3.064137|3.917263|3.152257|2.102394|3.840109|1.811230|0.063662|0.071995|0.076316|0.072957|0.077522|0.115092|0.101863|0.083871|0.064553|0.074536|0.070854|0.076611|0.049972|0.057792|0.052076|0.062692|0.048576|0.055446|0.048087|0.050564|0.046421|0.138479|0.108176|0.127003|0.148656|0.127439|0.302315|0.500000| |3.469038|4.140106|5.757604|6.812475|6.736605|13.471842|6.361214|4.044991|5.775521|6.247833|3.788686|3.415658|2.690232|0.069631|2.418762|2.394330|2.320171|3.442211|0.077602|2.213772|8.764009|6.561199|5.629193|9.399665|8.906339|17.596868|6.391547|11.790219|4.593297|4.306216|3.331700|2.882707|2.956396|3.578672|3.263727|2.252423|4.277228|1.911093|0.082243|0.090641|0.101379|0.099915|0.114922|0.190553|0.139205|0.110288|0.089262|0.110089|0.094520|0.102228|0.059450|0.069412|0.059649|0.073930|0.057131|0.065697|0.058431|0.063636|0.056283|0.173997|0.135460|0.186866|0.132888|0.125032|0.173863|0.218340|0.500000| |3.954792|4.490940|6.848040|6.594149|5.199714|9.234308|5.267915|3.674552|5.339356|6.145986|3.106433|2.779982|2.299592|0.059988|2.077844|2.097938|2.085831|3.058137|0.069298|2.013773|8.775838|5.484355|4.945546|7.660766|8.903281|17.574821|4.623745|8.270759|3.505606|3.190624|2.623144|2.381140|2.496812|2.973595|2.772366|1.924651|3.614882|1.670313|0.090090|0.108746|0.116031|0.107241|0.114372|0.237057|0.188896|0.115354|0.076905|0.087671|0.074970|0.082740|0.051899|0.058508|0.052920|0.063989|0.052007|0.060095|0.054273|0.057867|0.051071|0.219318|0.123268|0.135921|0.132688|0.108128|0.215231|0.212732|0.303381|0.500000| |2.180319|2.527631|2.893135|3.501684|4.156370|8.201372|5.225325|3.228681|5.112732|4.204850|3.848883|4.276485|3.305294|0.083647|3.236561|3.055317|2.660357|3.818627|0.080668|2.356002|3.869381|4.557518|4.515546|6.937842|4.128367|4.126390|7.249752|12.525750|8.937894|17.731365|8.935787|5.653427|4.967308|5.663459|5.676976|3.728668|7.113715|2.908352|0.055849|0.056933|0.061847|0.066106|0.074117|0.083802|0.072854|0.076410|0.087916|0.113111|0.137739|0.129350|0.077372|0.102373|0.076604|0.096817|0.065064|0.071665|0.060065|0.065604|0.062209|0.089548|0.106946|0.161443|0.100117|0.129043|0.094520|0.111603|0.135560|0.094872|0.500000| |1.797179|2.057755|2.247934|2.665806|3.081849|5.704367|4.296087|2.780447|4.707339|3.471385|3.419305|4.278181|3.649139|0.091273|4.035800|3.695175|2.955219|4.048980|0.081056|2.471018|2.817409|3.371136|3.359136|4.622494|2.817526|2.794315|4.139067|6.847765|5.633696|8.923684|17.771458|8.928581|5.652995|4.955289|9.737463|6.573539|12.740295|4.502648|0.047136|0.047251|0.050132|0.055510|0.060301|0.063017|0.057701|0.064755|0.081490|0.096292|0.143997|0.127072|0.096272|0.141008|0.095669|0.116070|0.073034|0.076795|0.062265|0.066758|0.067439|0.068867|0.087324|0.112553|0.078897|0.103394|0.069403|0.075468|0.085212|0.067492|0.214993|0.500000| |1.562126|1.752182|1.963246|2.293468|2.352954|4.112987|3.210304|2.297860|3.963873|3.061198|2.310231|2.661069|2.430243|0.060332|2.665779|2.888271|2.445028|3.095113|0.063810|1.934062|2.625411|3.251796|3.861297|5.039536|2.888248|2.573840|4.066507|6.080368|5.641918|4.965185|5.646221|8.915247|17.712362|8.920846|9.845589|5.025667|7.671587|4.041485|0.040637|0.042506|0.043152|0.048071|0.049005|0.054240|0.053079|0.060419|0.057686|0.062014|0.076514|0.084072|0.066227|0.081110|0.080073|0.093508|0.061430|0.068510|0.051522|0.051176|0.052157|0.068532|0.087391|0.094931|0.096522|0.134034|0.075936|0.076014|0.071865|0.062730|0.107763|0.124273|0.500000| |1.796057|2.018314|2.353029|2.768081|2.743801|4.812126|3.554582|2.538621|4.208728|3.537655|2.434680|2.666637|2.325669|0.058080|2.397762|2.558139|2.276925|2.996501|0.063798|1.881796|3.417573|4.287122|6.045684|8.631615|4.353650|3.500161|6.836146|9.039950|8.902182|5.649295|4.951180|5.646982|8.940015|17.718465|5.700634|3.368646|5.728864|2.775413|0.045874|0.049186|0.049993|0.054552|0.055667|0.065908|0.064228|0.069728|0.059950|0.065979|0.075660|0.084961|0.059143|0.071378|0.068072|0.082823|0.056615|0.065009|0.050378|0.050758|0.049731|0.088971|0.107478|0.119493|0.147070|0.213379|0.113286|0.113037|0.095161|0.082831|0.124314|0.107567|0.215925|0.500000| |1.428442|1.595221|1.735136|1.998804|2.129913|3.783091|2.979660|2.089277|3.671073|2.693672|2.258343|2.682864|2.549364|0.064170|2.957602|3.061387|2.482152|3.130456|0.062297|1.973649|2.167993|2.582211|2.786684|3.704029|2.261156|2.125414|3.060813|4.925634|4.029086|4.334272|5.910829|9.224416|7.140188|4.744026|26.058051|9.412056|10.868217|7.595764|0.037677|0.038454|0.039515|0.043836|0.045408|0.048015|0.046237|0.052577|0.057011|0.061261|0.079911|0.081355|0.075132|0.094110|0.087855|0.094803|0.063660|0.066705|0.051727|0.051940|0.054648|0.056036|0.070166|0.078102|0.069754|0.089866|0.058800|0.060633|0.061040|0.052732|0.099705|0.151132|0.207786|0.111786|0.500000| |1.303363|1.449011|1.542288|1.756588|1.868549|3.280310|2.681756|1.910879|3.453372|2.427929|2.071641|2.474329|2.504061|0.063661|3.041777|3.184093|2.558215|3.122471|0.060525|2.003299|1.849797|2.158422|2.240740|2.908646|1.842854|1.778204|2.308189|3.777955|2.821221|3.039518|3.841875|4.772183|4.048117|3.135687|9.979091|8.768360|10.538466|17.581062|0.034765|0.035108|0.035788|0.040296|0.041314|0.042229|0.041196|0.047798|0.053682|0.055550|0.072410|0.073253|0.080782|0.094818|0.097674|0.093245|0.067774|0.067649|0.052710|0.051856|0.056769|0.048425|0.060388|0.064500|0.057449|0.070481|0.048647|0.049195|0.050742|0.044856|0.074726|0.108174|0.119513|0.078253|0.230177|0.500000| 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