Version2.1 2021-01-12T15:11:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc2c(c1)[C@]3([C@H]4[C@@H]([C@H](N3)[C@@H](C)O)C(=O)N(C4=O)CCc5ccccc5)C(=O)N2 C15959174 RHF 6-31G(d) (6D,7F) CCc1ccc2c(c1)[C@]3([C@H]4[C@@H]([C@H](N3)[C@@H](C)O)C(=O)N(C4=O)CCc5ccccc5)C(=O)N2 C01[X(C25H27N3O4)] 171 C1 534 CCc1ccc2c(c1)[C@@]1(N[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)[C@H](O)C)C(=O)N2 CCc1ccc2c(c1)[C@@]1(N[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)[C@H](O)C)C(=O)N2 CCc1ccc2NC(=O)[C@]3(N[C@H]([C@@H](C)O)[C@@H]4[C@H]3C(=O)N(CCc5ccccc5)C4=O)c2c1 InChIKey=WZMLRSVHAXQUKU-MSRZUHFOSA-N InChI=1S/C25H27N3O4/c1-3-15-9-10-18-17(13-15)25(24(32)26-18)20-19(21(27-25)14(2)29)22(30)28(23(20)31)12-11-16-7-5-4-6-8-16/h4-10,13-14,19-21,27,29H,3,11-12H2,1-2H3,(H,26,32)/t14-,19+,20+,21-,25+/m1/s1 InChI=1/C25H27N3O4/c1-3-15-9-10-18-17(13-15)25(24(32)26-18)20-19(21(27-25)14(2)29)22(30)28(23(20)31)12-11-16-7-5-4-6-8-16/h4-10,13-14,19-21,27,29H,3,11-12H2,1-2H3,(H,26,32)/t14-,19+,20+,21-,25+/m1/s1/f/h26H CCc1ccc2c(c1)[C@]3([C@H]4[C@@H]([C@H](N3)[C@@H](C)O)C(=O)N(C4=O)CCc5ccccc5)C(=O)N2 C01[X(C25H27N3O4)] 171 C01 534 CCc1ccc2c(c1)[C@@]1(N[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)[C@H](O)C)C(=O)N2 CC[C]1[CH][CH][C]2[C]([CH]1)[C@@]1(N[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)CC[C]1[CH][CH][CH][CH][CH]1)[C@H](O)C)C(=O)N2 CC[C]1[CH][CH][C]2NC(=O)[C@]3(N[C@H]([C@@H](C)O)[C@@H]4[C@H]3C(=O)N(CC[C]5[CH][CH][CH][CH][CH]5)C4=O)[C]2[CH]1 InChIKey=WZMLRSVHAXQUKU-MSRZUHFOSA-N InChI=1S/C25H27N3O4/c1-3-15-9-10-18-17(13-15)25(24(32)26-18)20-19(21(27-25)14(2)29)22(30)28(23(20)31)12-11-16-7-5-4-6-8-16/h4-10,13-14,19-21,27,29H,3,11-12H2,1-2H3,(H,26,32)/t14-,19+,20+,21-,25+/m1/s1 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0.5834 0.5952 0.3823 0.8027 0.4737 0.8569 0.2565 0.7065 0.5429 0.3416 0.1419 0.8571 0.6726 0.6892 0.6127 0.0672 0.6725 0.5370 0.7572 0.1295 0.2414 0.0941 0.7149 0.5331 0.7148 0.8571 0.3938 0.1409 0.5677 0.8569 0.8529 0.7289 0.7607 0.8496 0.8571 0.2235 0.7160 0.8492 0.2061 0.6887 0.1289 0.6571 0.7174 0.8505 0.8559 0.8536 0.1420 0.8054 0.6748 0.7113 0.5419 0.8571 0.8394 0.3848 0.5822 0.7796 0.8520 0.8470 0.6061 0.2163 0.8564 0.8468 0.8403 0.2490 0.7216 0.6085 0.8390 0.8566 0.7576 0.5229 0.3315 0.4490 0.5040 0.8567 0.8477 0.4962 0.8489 0.8548 0.8115 0.4606 0.5076 0.8063 0.8533 0.6570 0.8530 0.6308 0.8567 0.8114 0.8110 0.8307 0.8465 0.8484 0.8518 0.8285 0.4404 0.3650 0.8561 0.8567 0.6900 0.7269 0.7485 0.6649 0.5361 0.5828 0.5161 0.2740 0.1395 0.1346 0.8489 0.1544 0.6880 0.6963 0.8536 0.8552 0.4488 0.1545 0.8487 0.3310 0.8549 0.8546 0.4024 0.7225 0.8571 0.6983 0.7462 0.8571 0.3479 0.2014 0.3619 0.3492 0.4728 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 6 6 6 6 6 6 6 6 6 6 1 6 1 6 1 7 6 1 6 8 6 8 7 6 8 6 6 6 6 6 6 6 6 6 8 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 1.00783 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 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 8117.2448 23588.6029 28705.6511 0.99999 -0.00281 0.00401 0.00277 0.99994 0.01081 -0.00404 -0.01080 0.99993 1 0.01067 0.00367 0.00302 0.22233 0.07651 0.06287 21.69 33.98 37.96 48.30 54.11 57.14 80.18 92.28 100.35 117.06 138.70 179.80 183.22 198.02 218.27 268.37 276.57 331.37 355.20 368.52 385.31 390.12 404.04 415.15 445.11 457.31 492.31 499.82 549.51 573.31 591.50 614.63 631.85 657.09 669.16 686.21 697.54 721.81 730.03 792.24 807.50 851.09 859.73 913.80 947.06 980.30 986.74 1002.05 1025.39 1041.99 1099.04 1123.82 1154.06 1162.07 1168.20 1206.48 1211.89 1215.32 1224.47 1236.58 1256.22 1275.32 1292.55 1328.37 1346.76 1381.64 1395.56 1397.79 1472.79 1483.25 1489.92 1494.51 1534.55 1547.11 1555.48 1568.11 1576.13 1583.82 1612.16 1626.04 1628.31 1635.32 1653.63 1669.40 1675.60 1697.51 1703.52 1704.21 1726.58 1737.62 1758.17 1767.97 1783.22 1806.76 1829.78 1858.27 1865.39 1872.72 1888.71 1901.02 1911.51 1939.29 1945.09 1967.74 1982.82 2011.87 2025.60 2042.33 2043.42 2057.85 2069.31 2090.93 2098.58 2127.08 2140.86 2157.47 2169.23 2180.65 2204.54 2233.04 2234.53 2246.39 2256.80 2260.49 2289.78 2319.04 2331.57 2345.98 2350.09 2352.02 2355.87 2360.10 2362.74 2376.97 2378.61 2402.79 2404.76 2567.58 2596.73 2607.23 2638.22 2843.60 2877.24 2950.00 4490.39 4605.81 4606.21 4617.65 4660.46 4666.25 4696.00 4699.31 4700.53 4709.69 4715.17 4717.60 4725.76 4738.16 4747.21 4794.97 4803.32 4815.07 4821.07 4831.10 4836.75 4851.20 4864.70 4869.18 5394.39 5596.92 5915.26 0.523732 0.550849 0.551794 0.462446 -1424.775731 -1424.748614 -1424.747670 -1424.837018 2.996747D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE CCc1ccc2c(c1)[C@]3([C@H]4[C@@H]([C@H](N3)[C@@H](C)O)C(=O)N(C4=O)CCc5ccccc5)C(=O)N2 C15959174 RHF 6-31G(d) (6D,10F) C1 433.200157 |X|Y|Z| 61.544623 110.688365 31.319829 59.754483 24 6 7 21 3 |36.858105| |12.423888|36.858105| |7.490737|12.575195|36.858105| |5.591024|7.538018|13.738771|36.858105| |4.114596|4.983945|7.824038|13.679490|36.858105| |3.754102|4.442202|6.868022|8.045243|13.863912|36.858105| |4.183374|5.021628|7.926887|6.937245|7.904112|13.709738|36.858105| |5.697555|7.524555|13.623013|7.969170|6.817222|7.956404|13.865150|36.858105| |3.275377|3.694233|4.927938|4.494215|5.181551|8.063900|12.595539|7.251448|36.858105| |2.911467|3.326622|4.108113|3.646413|3.946714|5.294054|7.279993|5.730387|12.243489|36.858105| |3.194893|3.751016|4.540318|3.812404|3.901220|4.957545|7.125523|6.526839|8.787859|17.603140|0.500000| |2.558823|2.781119|3.257865|2.926279|3.127260|3.974233|5.020253|4.268842|7.761345|12.432638|0.240631|36.858105| |2.535136|2.730459|3.085593|2.714616|2.808146|3.426733|4.325729|3.979057|5.842846|8.689923|0.221869|17.588832|0.500000| |2.640005|2.766461|3.269027|2.976230|3.223580|4.134125|5.121001|4.248326|8.025842|7.736829|0.166383|12.282593|0.242091|36.858105| |2.367853|2.474144|2.918480|2.752832|3.055550|3.891251|4.460218|3.636536|6.696545|6.228517|0.133491|8.807528|0.178935|17.626830|0.500000| |3.190770|3.361295|4.201867|3.783566|4.161766|5.684577|7.688166|5.814820|13.043070|7.955546|0.178684|7.919769|0.172428|13.000687|0.253983|53.358707| |2.545142|2.568922|2.896281|2.604141|2.719559|3.284828|3.972965|3.618074|5.179837|5.137034|0.127497|7.369225|0.203222|12.469179|0.248244|10.558334|36.858105| |2.822358|2.822094|3.125962|2.723650|2.763745|3.288398|4.113115|3.956299|5.055009|5.093312|0.135870|6.688917|0.205176|8.918386|0.175239|9.867018|17.422770|0.500000| |2.437820|2.388970|2.675151|2.466207|2.590736|3.057753|3.509696|3.205360|4.279141|3.888550|0.097788|4.843500|0.128725|7.521607|0.196518|8.567568|12.498279|0.246452|36.858105| |2.188338|2.225819|2.458380|2.236160|2.329561|2.755366|3.229204|2.981639|4.102580|4.453806|0.111865|6.716208|0.203811|8.110722|0.199284|7.119614|13.604973|0.259061|7.878923|73.516695| |2.158252|2.349612|2.713884|2.531285|2.749604|3.404067|3.931956|3.350769|5.544098|7.912372|0.165548|12.522283|0.250682|7.314315|0.203081|7.171036|5.237661|0.127589|3.918594|9.872884|36.858105| |1.930566|2.065456|2.339695|2.204741|2.382378|2.868214|3.211355|2.804913|4.261857|5.339254|0.122070|7.818895|0.189578|6.033943|0.182306|5.883676|4.912919|0.116212|3.828733|10.301648|16.044880|73.516695| |2.154083|2.405845|2.809513|2.661270|2.926545|3.623800|4.069175|3.423725|5.483556|8.140702|0.172763|8.094903|0.177034|5.352124|0.148258|6.226177|3.965479|0.101822|3.171999|7.100765|13.768011|14.900124|53.358707| |2.481932|2.859629|3.457408|3.246285|3.600962|4.629720|5.389349|4.357719|7.314984|12.550576|0.249598|7.863370|0.170169|5.360494|0.139420|7.067277|3.881448|0.103670|3.130701|6.488241|8.267786|9.885043|18.940586|36.858105| |2.463017|2.906062|3.530074|3.411847|3.819951|4.753457|5.149454|4.246608|5.974126|7.867074|0.193655|5.316644|0.125297|4.120034|0.109384|5.776247|3.168547|0.086048|2.671163|5.292393|5.534064|7.518486|11.375879|15.978033|73.516695| |1.876303|2.084391|2.389203|2.317550|2.550473|3.033824|3.224017|2.783803|3.991202|5.084630|0.120048|5.068977|0.122427|3.908547|0.113001|4.698795|3.127445|0.080536|2.636804|5.750221|7.643185|11.897842|17.806045|7.669963|11.805115|36.858105| |1.775382|1.953202|2.255460|2.249371|2.537635|3.008178|3.044497|2.578463|3.724614|4.228892|0.098882|4.199895|0.099571|3.612494|0.110310|4.451116|2.894555|0.073241|2.551279|5.232608|5.792975|9.813367|10.433621|5.771665|9.606007|12.429465|36.858105| |1.569972|1.717650|1.945164|1.953854|2.174905|2.485463|2.480928|2.166342|2.885908|3.202815|0.078691|3.190235|0.079356|2.822200|0.084905|3.533758|2.379722|0.061041|2.146266|4.356453|4.114186|7.370874|6.797724|4.103818|7.254753|7.579702|12.589097|36.858105| |1.439807|1.555123|1.737459|1.734962|1.907349|2.156441|2.171494|1.926278|2.515122|2.772658|0.068979|2.877609|0.073209|2.595581|0.078552|3.191431|2.258125|0.057650|2.057951|4.231811|3.692135|7.057045|5.598875|3.354646|5.762173|5.702378|7.543482|13.698321|36.858105| |1.313401|1.414052|1.562313|1.566077|1.707364|1.893887|1.894670|1.706818|2.139201|2.328643|0.059204|2.390037|0.061963|2.183914|0.065190|2.729605|1.943059|0.050190|1.793814|3.632630|2.930790|5.541177|4.381987|2.752196|4.836548|4.187508|5.008551|7.888781|13.750422|36.858105| |1.289014|1.395531|1.538775|1.554042|1.693436|1.855952|1.836633|1.662729|2.033361|2.198119|0.056535|2.194245|0.057006|2.004009|0.059092|2.558932|1.781080|0.046517|1.649217|3.280761|2.618368|4.790280|4.007034|2.614427|4.744378|3.771971|4.421591|6.814663|7.932237|13.750502|36.858105| 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|17.554753|8.769057|6.786377|5.860574|4.321811|3.785834|3.991326|5.065683|3.127804|2.712278|0.080495|2.399598|0.065138|2.520577|0.063822|4.171786|2.420019|0.073184|2.372211|3.694991|2.049858|3.280884|2.787247|2.344438|4.154956|1.799137|1.727653|1.532690|1.406514|1.285641|1.263648|1.351878|1.494432|2.748374|4.185214|4.094365|0.301069|0.500000| |17.547560|8.759710|6.779881|4.961984|3.911424|3.779024|4.412202|6.037953|3.537341|3.123427|0.095266|2.793990|0.077507|2.936082|0.071967|4.880386|2.886363|0.090889|2.764950|4.331035|2.305242|3.663846|3.073591|2.585529|4.460564|1.942467|1.829894|1.606565|1.479034|1.342611|1.308333|1.393154|1.547304|2.917933|4.434891|4.134070|0.301264|0.301934|0.500000| |8.858304|17.549359|8.918322|7.182022|4.728522|4.000467|4.222688|5.648198|3.203858|2.927140|0.090278|2.463338|0.066986|2.432832|0.061529|3.935036|2.256420|0.067778|2.116727|3.535672|2.137393|3.367780|3.016614|2.614758|4.825420|1.957565|1.847980|1.644736|1.488449|1.363327|1.355520|1.469461|1.629530|2.807760|4.249106|4.214032|0.213156|0.210847|0.172986|0.500000| |8.854099|17.536729|8.910131|5.700730|4.209457|3.992766|4.726330|7.090368|3.643936|3.459869|0.112597|2.891449|0.080527|2.795719|0.068646|4.505843|2.615550|0.080939|2.378401|4.074162|2.429031|3.781929|3.386584|2.959956|5.320730|2.144962|1.973789|1.736408|1.574552|1.431344|1.410793|1.522661|1.698410|2.987605|4.508650|4.257045|0.213193|0.173031|0.210475|0.304543|0.500000| |5.457201|7.012871|8.947048|17.701917|8.951816|5.704222|4.984065|5.658421|3.585831|3.034710|0.088130|2.513221|0.065605|2.551806|0.066337|4.262092|2.283049|0.066229|2.189929|3.540050|2.218604|3.489015|3.172352|2.775440|5.220032|2.073387|2.024535|1.790178|1.600461|1.459587|1.456850|1.594558|1.783330|3.390285|5.000889|5.622188|0.123969|0.167866|0.126962|0.217148|0.145091|0.500000| |3.507108|4.072904|5.594979|8.858728|17.722482|8.891834|5.618083|4.923429|4.231386|3.356687|0.090860|2.751087|0.068817|2.843845|0.076752|4.805409|2.428335|0.067690|2.352611|3.759021|2.495549|3.909171|3.631521|3.192962|6.095385|2.391411|2.433588|2.120194|1.861101|1.679003|1.677370|1.858426|2.114590|4.620667|6.642461|9.181483|0.082773|0.104600|0.091894|0.112334|0.097119|0.215482|0.500000| |5.635211|6.994803|8.886921|5.656432|4.919592|5.644249|8.929680|17.672771|6.523245|5.884659|0.203678|4.560050|0.124115|4.417261|0.101378|7.817570|3.911447|0.124624|3.349005|5.724996|3.453622|5.139952|4.681176|4.280141|7.156356|2.764851|2.501110|2.108236|1.894233|1.679422|1.626812|1.755043|2.004592|4.439291|6.344490|5.884387|0.126619|0.130979|0.177751|0.143173|0.211508|0.124278|0.106965|0.500000| |3.640540|3.747924|4.598908|3.923749|4.078261|5.264111|7.506495|6.562125|9.436466|6.796645|0.175114|6.671734|0.164835|9.311093|0.183439|25.874075|7.653490|0.235472|6.253638|8.949521|4.469048|6.686644|5.358254|4.485390|6.737207|3.046293|2.842366|2.319081|2.115039|1.835214|1.730739|1.835735|2.115846|5.871979|8.588621|6.646263|0.086120|0.095353|0.118100|0.087085|0.103174|0.090187|0.094748|0.193503|0.500000| |2.198072|2.175714|2.448758|2.310143|2.471800|2.917559|3.234233|2.887667|3.987978|3.636491|0.089434|4.532707|0.116557|6.834800|0.211186|7.520334|8.856448|0.173667|17.567800|12.693479|3.944106|7.107486|4.328963|3.057845|4.651976|2.696150|2.675414|2.251244|2.178293|1.889255|1.721767|1.755740|1.980704|3.747459|6.943804|4.267226|0.055468|0.060006|0.067935|0.054289|0.059879|0.057323|0.063333|0.081978|0.141465|0.500000| |2.316259|2.234134|2.436274|2.237918|2.308838|2.651980|3.016508|2.853370|3.514463|3.299056|0.085682|4.023043|0.112364|5.482300|0.142869|6.498989|8.822615|0.213357|17.518590|12.531202|3.359654|5.955999|3.767311|2.720185|4.193963|2.352062|2.264155|1.944591|1.885802|1.663862|1.532376|1.562231|1.741759|3.107144|5.481754|3.679387|0.059046|0.062467|0.073170|0.055234|0.062134|0.055963|0.058646|0.083889|0.138180|0.300702|0.500000| |2.699308|2.605998|2.952616|2.728100|2.869720|3.387726|3.876245|3.532405|4.565808|3.863957|0.097985|4.459027|0.115977|6.824917|0.175431|9.527845|8.777614|0.211456|17.585563|10.090107|3.565967|6.006869|4.096735|3.076622|4.748186|2.507105|2.450091|2.064594|1.957449|1.715193|1.593576|1.648480|1.860161|3.994915|6.799383|4.708217|0.066872|0.073782|0.085949|0.063647|0.070877|0.066895|0.071939|0.100767|0.201606|0.300709|0.301272|0.500000| |2.092082|2.096425|2.274995|2.071580|2.135781|2.475965|2.863164|2.704142|3.479706|3.693640|0.095728|5.085258|0.156494|5.966232|0.151846|5.933717|9.816765|0.224121|7.513872|35.760145|4.387294|8.257613|4.557360|3.100008|4.625199|2.810387|2.586728|2.207688|2.170031|1.891263|1.713068|1.730117|1.936157|3.031814|5.511299|3.470851|0.053988|0.055277|0.064844|0.052217|0.059959|0.051762|0.054189|0.081341|0.120849|0.186485|0.218815|0.149157|0.500000| |1.873468|2.108643|2.403377|2.337155|2.551266|2.978899|3.140386|2.760692|3.706951|4.706505|0.117221|4.360074|0.109037|3.399152|0.095566|4.263615|2.780257|0.073385|2.367089|5.039996|5.756964|8.880565|12.621304|7.296255|13.123702|17.633297|8.805960|6.885283|5.069310|3.996632|3.814151|4.431928|6.058984|3.842290|7.393414|4.464312|0.048201|0.049750|0.053348|0.055503|0.060603|0.058403|0.066625|0.075942|0.078424|0.066376|0.059285|0.063327|0.069532|0.500000| |1.754583|1.925588|2.167081|2.085255|2.258269|2.641844|2.832434|2.507806|3.460401|4.367153|0.106537|4.709570|0.119826|3.665301|0.105909|4.275431|3.061699|0.078667|2.576124|5.863824|7.260405|13.124405|12.619857|5.786540|8.869450|17.634864|8.811597|6.900321|6.060021|4.435549|3.820805|4.006916|5.085720|3.527037|7.073867|3.980192|0.045313|0.046643|0.050669|0.050235|0.055331|0.052269|0.058953|0.070330|0.078282|0.073437|0.064695|0.066929|0.080232|0.301510|0.500000| |1.758944|1.908582|2.202478|2.190415|2.473868|2.953258|3.005115|2.532314|3.769317|4.157005|0.095555|4.407436|0.103005|3.956414|0.126870|4.706010|3.157144|0.077832|2.806009|5.771541|6.247292|11.446492|9.564425|5.197701|8.163006|8.886959|17.583195|8.881755|7.124536|4.717404|3.969008|4.207710|5.659381|4.408590|10.234074|4.827110|0.044894|0.047706|0.050766|0.049858|0.053353|0.054697|0.065837|0.068496|0.082286|0.083598|0.068566|0.073936|0.078687|0.173855|0.212452|0.500000| |1.876494|2.083339|2.447672|2.483564|2.869244|3.440408|3.373342|2.788358|4.085354|4.436593|0.102836|4.112828|0.095840|3.624654|0.110065|4.684035|2.850120|0.072668|2.541086|4.981169|5.208832|8.308224|9.546114|6.186990|11.056909|8.880293|17.584248|8.878152|5.662161|4.208482|3.967799|4.713046|7.112460|5.061312|11.248515|5.759766|0.047645|0.050985|0.053401|0.054916|0.057949|0.061746|0.076931|0.073530|0.082352|0.073591|0.062212|0.069131|0.068526|0.212366|0.173842|0.303643|0.500000| |1.447409|1.551885|1.731688|1.716781|1.881783|2.141927|2.181818|1.934775|2.566892|2.835618|0.069994|3.054556|0.077814|2.777333|0.085260|3.329844|2.434154|0.061359|2.215627|4.649868|4.010434|8.109129|5.746356|3.342283|5.543836|5.583475|7.006614|8.915888|17.695845|8.926504|5.645755|4.960549|5.658954|2.805657|5.868772|3.312955|0.037583|0.039239|0.041576|0.041015|0.043684|0.043862|0.050709|0.053205|0.061094|0.065828|0.056377|0.057801|0.066105|0.129807|0.175339|0.214057|0.143826|0.500000| |1.240796|1.326306|1.455164|1.454172|1.575232|1.738716|1.746775|1.585797|1.965971|2.129516|0.054469|2.217989|0.058134|2.049693|0.061175|2.548537|1.855424|0.047908|1.725501|3.501785|2.688114|5.176866|3.892824|2.455263|4.268596|3.567676|4.088868|5.627393|8.924537|17.708999|8.911338|5.652088|4.962079|2.123433|4.249806|2.627351|0.032546|0.033754|0.035303|0.035508|0.037311|0.037772|0.043022|0.043552|0.047880|0.050634|0.044801|0.045624|0.051094|0.093800|0.107433|0.112005|0.096997|0.215792|0.500000| |1.204903|1.299547|1.421887|1.437297|1.556073|1.687449|1.667875|1.524311|1.825136|1.958965|0.050897|1.956274|0.051303|1.801947|0.052848|2.313395|1.622079|0.042578|1.512627|2.987841|2.289675|4.192194|3.447818|2.286705|4.157777|3.129195|3.538312|4.921245|5.640692|8.904019|17.712167|8.904161|5.640994|1.981237|3.870338|2.527134|0.031693|0.032853|0.033900|0.035195|0.036485|0.037667|0.042963|0.041493|0.043799|0.043776|0.039306|0.040671|0.043680|0.088474|0.088607|0.090366|0.090342|0.124133|0.214569|0.500000| |1.343917|1.473523|1.629962|1.666920|1.823385|1.971555|1.917482|1.738467|2.070562|2.218524|0.057710|2.122917|0.054931|1.931514|0.056129|2.539173|1.699376|0.044941|1.572754|3.061469|2.456077|4.301310|3.891807|2.680819|5.119961|3.570184|4.088340|5.626901|4.961532|5.652008|8.911274|17.708315|8.923662|2.284103|4.409213|2.964212|0.035180|0.036657|0.037499|0.040154|0.041265|0.043632|0.050648|0.046716|0.047901|0.045077|0.040481|0.042828|0.044330|0.107419|0.094038|0.096963|0.111887|0.107641|0.124140|0.214570|0.500000| |1.618869|1.803591|2.051050|2.101694|2.355272|2.630465|2.545194|2.233658|2.813640|3.056433|0.077299|2.819687|0.070598|2.502873|0.072988|3.309034|2.110439|0.055470|1.917228|3.743135|3.342002|5.596450|5.743078|3.990259|7.950827|5.593166|7.004299|8.915039|5.658646|4.960895|5.646212|8.927443|17.693964|3.211423|6.311126|4.079566|0.041810|0.044018|0.045297|0.048696|0.050438|0.053892|0.064741|0.059304|0.061138|0.054819|0.048420|0.052411|0.053110|0.175737|0.130254|0.143671|0.213408|0.124259|0.107647|0.124141|0.215804|0.500000| 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