Version2.0 2020-01-13T19:09:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 17-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Oc5ccc4C(NCCCCCCCCCNc2c1CCCCc1nc3ccccc23)CCCc4n5 121747 CHEMBL74607 RHF 6-31G(d) (6D,7F) Oc5ccc4C(NCCCCCCCCCNc2c1CCCCc1nc3ccccc23)CCCc4n5 C01[X(C31H42N4O1)] 228 C1 624 Oc1ccc2c(n1)CCCC2NCCCCCCCCCNc1c2CCCCc2nc2c1cccc2 Oc1ccc2c(n1)CCCC2NCCCCCCCCCNc1c2CCCCc2nc2c1cccc2 Oc1ccc2C(CCCc2n1)NCCCCCCCCCNc3c4CCCCc4nc5ccccc35 InChIKey=WQJGOAVTBXSUMW-UHFFFAOYSA-N InChI=1S/C31H42N4O/c36-30-20-19-23-26(17-12-18-27(23)35-30)32-21-10-4-2-1-3-5-11-22-33-31-24-13-6-8-15-28(24)34-29-16-9-7-14-25(29)31/h6,8,13,15,19-20,26,32H,1-5,7,9-12,14,16-18,21-22H2,(H,33,34)(H,35,36) InChI=1/C31H42N4O/c36-30-20-19-23-26(17-12-18-27(23)35-30)32-21-10-4-2-1-3-5-11-22-33-31-24-13-6-8-15-28(24)34-29-16-9-7-14-25(29)31/h6,8,13,15,19-20,26,32H,1-5,7,9-12,14,16-18,21-22H2,(H,33,34)(H,35,36)/f/h33,36H Oc5ccc4C(NCCCCCCCCCNc2c1CCCCc1nc3ccccc23)CCCc4n5 C01[X(C31H42N4O1)] 228 C01 624 Oc1ccc2c(n1)CCCC2NCCCCCCCCCNc1c2CCCCc2nc2c1cccc2 Oc1ccc2c(n1)CCC[C@@H]2NCCCCCCCCCNC1=C2CCCC[C@H]2N[C@@H]2[C@@H]1C=CC=C2 Oc1ccc2[C@H](CCCc2n1)NCCCCCCCCCNC3=C4CCCC[C@H]4N[C@H]5C=CC=C[C@H]35 InChIKey=BPOZQCKNAZEQSH-XXHZYJAKSA-N InChI=1S/C31H46N4O/c36-30-20-19-23-26(17-12-18-27(23)35-30)32-21-10-4-2-1-3-5-11-22-33-31-24-13-6-8-15-28(24)34-29-16-9-7-14-25(29)31/h6,8,13,15,19-20,24,26,28-29,32-34H,1-5,7,9-12,14,16-18,21-22H2,(H,35,36)/t24-,26-,28-,29+/m0/s1 InChI=1/C31H46N4O/c36-30-20-19-23-26(17-12-18-27(23)35-30)32-21-10-4-2-1-3-5-11-22-33-31-24-13-6-8-15-28(24)34-29-16-9-7-14-25(29)31/h6,8,13,15,19-20,24,26,28-29,32-34H,1-5,7,9-12,14,16-18,21-22H2,(H,35,36)/t24-,26-,28-,29+/m0/s1/f/h36H 3282.0315471184 -1491.0707849 1-A 63379.3602 132 492 624 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12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 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 6339.1444 112133.3608 116013.9813 1.00000 0.00059 0.00261 -0.00059 1.00000 -0.00001 -0.00261 0.00001 1.00000 1 0.01366 0.00077 0.00075 0.28470 0.01609 0.01556 7.08 11.19 18.62 25.78 43.37 50.62 61.25 80.84 101.50 105.14 119.70 125.52 133.65 140.90 155.50 184.76 193.11 204.80 233.25 239.56 251.05 264.13 279.22 295.68 334.68 371.04 417.18 424.23 445.60 457.45 469.33 496.72 502.58 532.57 560.28 580.95 587.63 629.45 659.76 670.41 676.00 722.78 728.83 742.98 763.23 773.08 777.05 781.28 786.37 868.48 877.50 907.74 916.60 918.02 934.31 981.75 1055.02 1071.37 1077.04 1110.92 1121.99 1124.84 1132.18 1146.97 1158.09 1178.93 1186.25 1213.26 1237.42 1245.91 1256.24 1282.35 1310.59 1321.53 1341.23 1350.31 1372.78 1380.28 1397.74 1404.72 1417.02 1437.36 1448.62 1468.39 1496.77 1521.16 1529.55 1532.81 1536.54 1554.00 1567.37 1589.43 1590.89 1603.21 1609.44 1615.50 1623.05 1634.50 1640.43 1642.97 1645.24 1661.73 1663.89 1705.84 1717.79 1733.73 1735.07 1741.32 1747.09 1763.22 1773.76 1778.83 1805.98 1813.77 1837.14 1857.01 1863.18 1868.20 1882.34 1895.46 1897.98 1905.79 1917.70 1933.80 1943.34 1991.79 1994.12 2000.12 2002.15 2011.56 2021.59 2038.86 2048.72 2056.51 2078.54 2086.60 2088.74 2092.62 2103.73 2107.74 2109.93 2112.28 2113.71 2131.53 2155.81 2158.80 2168.04 2175.27 2182.95 2186.12 2193.10 2199.28 2206.90 2212.35 2227.74 2238.71 2257.49 2267.46 2270.24 2318.66 2329.73 2334.96 2335.82 2341.97 2349.62 2349.90 2354.95 2356.42 2360.00 2361.21 2361.73 2365.45 2375.41 2376.29 2379.71 2384.07 2385.68 2400.62 2405.93 2412.86 2414.34 2553.79 2598.46 2609.72 2613.16 2636.45 4448.75 4473.87 4545.33 4567.24 4569.52 4571.47 4575.69 4581.26 4583.21 4586.68 4589.31 4592.00 4594.76 4597.10 4597.34 4600.69 4602.08 4602.37 4611.76 4622.87 4631.00 4647.89 4655.58 4659.26 4662.92 4664.99 4667.35 4677.51 4690.14 4694.99 4698.49 4709.86 4721.51 4828.54 4832.37 4852.93 4874.33 4890.54 4908.12 5445.67 5464.09 5864.20 0.737648 0.769893 0.770837 0.666069 -1490.333137 -1490.300892 -1490.299948 -1490.404716 3.513936D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2020 DUDE Oc5ccc4C(NCCCCCCCCCNc2c1CCCCc1nc3ccccc23)CCCc4n5 121747 CHEMBL74607 RHF 6-31G(d) (6D,10F) C1 486.335862 |X|Y|Z| 55.358383 30.010436 243.750225 73.983279 35 6 7 31 4 |73.516695| |25.343197|36.858105| |14.427729|13.659180|36.858105| |9.484453|8.101971|13.913929|36.858105| |8.340222|6.992038|7.883076|13.592706|36.858105| |6.061682|4.481376|4.997801|7.487069|12.480193|36.858105| |5.412694|3.839220|4.447083|6.377654|7.754793|13.034940|53.358707| |4.434149|3.007006|3.423962|4.513635|5.070862|7.742575|17.864292|36.858105| |4.009873|2.641214|3.009274|3.747364|3.912325|5.021148|10.581636|12.486423|36.858105| |3.418525|2.200364|2.461000|2.947845|3.059020|3.804832|6.784365|7.475163|12.455052|36.858105| |3.121598|1.971184|2.191202|2.538179|2.570523|3.014091|5.182702|4.863945|7.462653|12.452214|36.858105| |2.755299|1.718442|1.886313|2.145886|2.177368|2.519512|4.091045|3.732823|4.857065|7.456145|12.453139|36.858105| |2.544377|1.566638|1.709477|1.905897|1.912536|2.149110|3.430789|2.960133|3.729789|4.855140|7.456493|12.453197|36.858105| |2.298655|1.404845|1.519789|1.677847|1.688007|1.883291|2.921230|2.487589|2.957873|3.728289|4.855365|7.457010|12.452098|36.858105| |2.143608|1.298276|1.397643|1.522868|1.522789|1.669515|2.564702|2.123155|2.487011|2.957972|3.730105|4.857622|7.463921|12.454333|36.858105| |1.969197|1.186903|1.269967|1.375540|1.378562|1.504764|2.272178|1.867140|2.123910|2.488785|2.961738|3.735736|4.867850|7.485986|12.495440|36.858105| |1.859982|1.113981|1.187584|1.275125|1.273192|1.374318|2.063776|1.668271|1.883564|2.145232|2.519464|3.003795|3.805176|4.978337|7.762539|13.029568|53.358707| |1.732368|1.033944|1.097119|1.173084|1.173429|1.262398|1.875270|1.507674|1.673983|1.888478|2.156714|2.528760|3.029427|3.825074|5.065727|7.806691|18.263373|36.858105| |1.670216|0.995756|1.050780|1.121934|1.128402|1.213795|1.795198|1.438123|1.585587|1.777933|2.007020|2.327062|2.726142|3.352812|4.193355|5.836542|10.769167|13.926848|36.858105| |1.712125|1.022285|1.075813|1.150411|1.162786|1.253657|1.861162|1.490063|1.650608|1.848409|2.098828|2.422198|2.854228|3.446754|4.285426|5.427468|9.083549|7.568060|12.526419|36.858105| |1.633883|0.974049|1.019095|1.087617|1.105079|1.190556|1.753781|1.398137|1.529769|1.699674|1.891246|2.150807|2.442842|2.861156|3.305565|3.946752|5.969104|4.986176|7.460134|12.458146|36.858105| |1.527353|0.906594|0.946658|1.004988|1.018074|1.089712|1.595002|1.262350|1.370234|1.506346|1.658805|1.859353|2.085396|2.398925|2.747861|3.254370|5.062331|4.471013|6.559024|7.574422|12.491260|36.858105| |1.501454|0.890969|0.932400|0.989842|1.000015|1.070346|1.562289|1.239525|1.340685|1.479442|1.622231|1.830934|2.043817|2.385736|2.723498|3.346746|5.219043|5.020660|7.439739|6.378084|7.633758|12.481930|36.858105| |1.565249|0.930223|0.978382|1.040662|1.046963|1.121965|1.645536|1.311337|1.428574|1.587887|1.760334|2.011580|2.286834|2.735562|3.231396|4.214078|6.998213|7.948431|13.325182|7.422994|6.563754|7.484720|12.569308|36.858105| |1.523729|0.903885|0.951698|1.010097|1.012725|1.082097|1.581346|1.257861|1.363911|1.511316|1.664445|1.893028|2.131072|2.529630|2.942393|3.786894|6.162212|6.832040|7.931128|5.048568|4.544498|5.166871|7.993883|14.703637|53.358707| |1.568933|0.931206|0.984645|1.045756|1.043752|1.114849|1.633290|1.301956|1.417026|1.575190|1.744159|1.993614|2.262841|2.709947|3.194881|4.189941|6.944447|7.873501|6.936897|4.468111|3.771723|3.963327|5.224189|8.343598|19.205980|36.858105| |1.512825|0.895574|0.946960|1.002514|0.997533|1.061212|1.546628|1.228135|1.327196|1.465602|1.605674|1.814860|2.024743|2.372514|2.710329|3.371043|5.273229|5.112651|4.573123|3.352707|2.968817|3.154717|4.009614|5.343964|10.918459|13.419056|36.858105| |1.544681|0.914143|0.970036|1.026406|1.016466|1.079461|1.574152|1.249999|1.351922|1.491896|1.635130|1.843945|2.054789|2.390985|2.713239|3.296445|5.039470|4.505240|3.805743|2.928254|2.564043|2.643379|3.175791|4.058952|7.162843|7.897617|14.034214|36.858105| |1.645192|0.976009|1.040710|1.104359|1.090237|1.160107|1.702764|1.357859|1.481787|1.645504|1.825696|2.076830|2.353455|2.769583|3.207136|3.919114|6.008715|5.084826|3.942512|3.059025|2.584879|2.571303|2.980884|3.860753|6.262168|6.824381|7.923933|13.455267|36.858105| |1.716514|1.021585|1.090310|1.161668|1.149825|1.229263|1.817195|1.456728|1.606251|1.800396|2.030697|2.348319|2.738642|3.330375|4.073563|5.334829|8.766610|7.568755|5.090718|3.785025|3.033175|2.929900|3.360340|4.582903|7.032635|7.839257|6.843134|7.915993|14.021316|36.858105| |1.673382|0.996091|1.057928|1.127553|1.123118|1.203225|1.776541|1.423607|1.566885|1.756890|1.978349|2.293859|2.676692|3.294896|4.091966|5.741752|10.455245|13.337120|7.888655|4.980298|3.841637|3.737674|4.479164|6.956227|10.738910|13.568068|7.810692|6.799610|7.877841|13.398330|36.858105| |5.362695|3.788832|3.847941|4.947467|7.506051|12.411758|10.608004|6.116895|4.279623|3.461878|2.780479|2.382238|2.040838|1.810922|1.608236|1.460375|1.816672|1.232210|1.194705|1.241358|1.189046|1.086866|1.063480|1.107127|1.448149|1.089030|1.034088|1.045533|1.117366|1.185438|1.169894|36.858105| |5.719078|4.006295|3.779790|4.509504|6.680349|7.492550|6.844787|4.164883|3.201735|2.721507|2.276326|2.006056|1.755624|1.585270|1.426144|1.310240|1.643013|1.123522|1.093026|1.132424|1.090975|1.004137|0.983987|1.020040|1.338418|1.004367|0.958029|0.968177|1.029114|1.085417|1.072019|12.493520|36.858105| |7.264009|5.260557|4.498564|5.040816|7.529220|6.318309|6.212018|3.591080|2.915073|2.446843|2.107029|1.848595|1.646609|1.483838|1.350679|1.239552|1.567163|1.071577|1.042149|1.079774|1.039244|0.960132|0.939314|0.973377|1.278421|0.959691|0.916840|0.927511|0.985603|1.037823|1.023693|7.636861|12.490733|36.858105| |9.705321|8.362534|6.981562|8.054274|13.763646|7.442050|7.171852|3.866134|3.144563|2.566378|2.213377|1.914344|1.707110|1.525212|1.389511|1.267949|1.604291|1.092608|1.056384|1.090548|1.042801|0.964168|0.945267|0.984478|1.295980|0.977416|0.935264|0.950289|1.013971|1.066861|1.046281|6.627264|7.589590|12.620449|36.858105| |14.976768|14.627651|8.015938|6.976889|7.977318|5.016901|5.492461|3.126242|2.677363|2.231631|1.976189|1.726672|1.564296|1.405816|1.294221|1.185403|1.510561|1.031612|0.997523|1.027676|0.983218|0.913386|0.895881|0.932299|1.230047|0.927899|0.890489|0.905805|0.964877|1.011762|0.990964|4.529945|5.160053|7.916864|14.257109|53.358707| |35.632322|10.231210|6.086506|4.521656|4.293800|3.208879|3.864974|2.348693|2.120805|1.823043|1.666571|1.479772|1.368689|1.241845|1.159878|1.068927|1.375952|0.943905|0.912889|0.937290|0.897493|0.839675|0.824451|0.857021|1.134701|0.856266|0.825449|0.841003|0.893378|0.931911|0.911112|2.951793|3.242788|4.231323|5.314695|11.517756|0.500000| 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|4.135877|2.775057|3.041948|3.870279|4.552167|6.989439|12.508369|17.565083|8.904111|6.871602|4.539929|3.649408|2.881879|2.462203|2.093622|1.856266|2.251086|1.501686|1.443057|1.503016|1.420729|1.278858|1.252550|1.317995|1.714836|1.296764|1.220041|1.235026|1.335065|1.434266|1.412511|6.782265|4.446851|3.642013|3.687345|4.033330|0.061806|0.075741|0.113349|0.183092|0.182669|0.500000| |4.326187|2.916649|3.368087|4.429902|4.777498|6.992211|12.219920|17.395179|8.833701|6.875698|4.535106|3.651267|2.881183|2.463107|2.093356|1.856696|2.250472|1.500150|1.424365|1.462252|1.370264|1.241788|1.228010|1.303339|1.711040|1.306579|1.238547|1.266243|1.376900|1.469718|1.427510|5.351628|3.914585|3.347457|3.638391|4.067657|0.063360|0.085341|0.141554|0.219848|0.214666|0.303064|0.500000| |4.170910|2.738881|3.211888|3.987393|3.911829|4.695712|9.639611|8.871799|17.481521|8.859401|6.864373|4.531884|3.647581|2.879413|2.462020|2.094194|2.548630|1.659605|1.560267|1.612956|1.485625|1.338260|1.313508|1.406279|1.836207|1.409735|1.325835|1.358897|1.496220|1.616784|1.562978|3.805135|2.960266|2.782248|3.103713|3.674892|0.060512|0.084757|0.130211|0.123817|0.221020|0.174237|0.210893|0.500000| |3.996854|2.619203|2.922941|3.562795|3.786895|4.704581|9.769687|8.919620|17.538298|8.823959|6.827870|4.517772|3.637349|2.873464|2.457741|2.091152|2.546036|1.660051|1.583523|1.666337|1.549260|1.383943|1.342908|1.423810|1.839905|1.396619|1.302613|1.319909|1.442085|1.568691|1.542154|4.241834|3.178974|2.947935|3.135370|3.649284|0.059124|0.075247|0.107186|0.116333|0.185807|0.214178|0.173869|0.303537|0.500000| |3.273514|2.102648|2.305151|2.742271|2.930503|3.701690|6.315878|6.871129|8.858636|17.499620|8.861203|6.863198|4.532250|3.647701|2.880605|2.464661|2.879415|1.877504|1.787879|1.873595|1.741019|1.534887|1.502232|1.600371|2.062792|1.566832|1.452718|1.467510|1.606389|1.759500|1.737047|3.567354|2.794364|2.460759|2.509749|2.951072|0.048943|0.060121|0.082386|0.101690|0.116459|0.207290|0.171656|0.173696|0.211212|0.500000| |3.370702|2.165767|2.442273|2.926908|2.992634|3.705733|6.293947|6.868429|8.847625|17.498586|8.859249|6.859797|4.530741|3.646525|2.879369|2.463865|2.877412|1.873610|1.751867|1.795872|1.649917|1.471481|1.459622|1.573426|2.054840|1.583153|1.483171|1.519594|1.679683|1.825076|1.764088|3.302540|2.647132|2.365637|2.497380|2.968591|0.049775|0.064721|0.091708|0.106842|0.124026|0.170921|0.207712|0.211603|0.173314|0.303814|0.500000| |3.195612|2.010680|2.265634|2.608783|2.570221|2.938941|5.059431|4.537601|6.862623|8.857686|17.498201|8.857489|6.858886|4.530348|3.647616|2.882890|3.393539|2.126323|1.956508|2.023159|1.809815|1.603083|1.574836|1.719202|2.229108|1.730666|1.603290|1.647522|1.852894|2.052123|1.970557|2.636898|2.184481|2.055160|2.198899|2.701969|0.047056|0.061483|0.081212|0.080199|0.107027|0.112173|0.120468|0.207264|0.170403|0.173736|0.211762|0.500000| |3.113054|1.960296|2.155400|2.476153|2.531194|2.937714|5.072620|4.539984|6.871708|8.859867|17.502297|8.856955|6.858863|4.530227|3.648648|2.883213|3.395891|2.131506|2.006590|2.135759|1.931715|1.685752|1.628429|1.754168|2.238845|1.709083|1.564757|1.581478|1.755563|1.959806|1.932673|2.766575|2.265471|2.117035|2.207830|2.689313|0.046360|0.057513|0.074546|0.077968|0.102089|0.120843|0.112068|0.171370|0.206150|0.211782|0.173742|0.303897|0.500000| |2.677952|1.670867|1.813537|2.062834|2.129859|2.489268|3.981884|3.650887|4.532852|6.859788|8.858287|17.499090|8.858657|6.860608|4.533259|3.653798|3.978087|2.501828|2.348839|2.479017|2.235942|1.913454|1.874277|2.036659|2.587317|1.976286|1.790195|1.798119|1.999348|2.259068|2.249605|2.416188|2.035002|1.854831|1.890751|2.309757|0.040186|0.048490|0.061627|0.068959|0.078123|0.103639|0.098198|0.112003|0.120172|0.207261|0.171139|0.173702|0.211687|0.500000| |2.729960|1.701736|1.877738|2.137649|2.152953|2.490018|3.975478|3.649643|4.530157|6.858594|8.856791|17.497658|8.857412|6.860541|4.531063|3.653045|3.974212|2.493417|2.269565|2.307501|2.052621|1.794999|1.793817|1.982472|2.572301|2.009857|1.848561|1.897028|2.146828|2.403865|2.309961|2.328364|1.975698|1.812792|1.885133|2.317758|0.040637|0.050799|0.065237|0.070488|0.080270|0.098013|0.103704|0.120434|0.111693|0.171211|0.207102|0.211671|0.173685|0.303874|0.500000| |2.583843|1.586155|1.744010|1.935112|1.912276|2.121198|3.394008|2.881397|3.647146|4.529973|6.858646|8.857040|17.498738|8.858145|6.864562|4.540695|5.059508|2.947293|2.603734|2.672466|2.274707|1.977950|1.951548|2.198970|2.825659|2.233820|2.020136|2.079711|2.412822|2.792223|2.657803|1.981852|1.712337|1.621401|1.700335|2.135072|0.038436|0.047856|0.058619|0.058473|0.070567|0.076101|0.078556|0.103581|0.097768|0.111990|0.120438|0.207061|0.171116|0.173701|0.211666|0.500000| |2.539533|1.561016|1.692151|1.879017|1.895974|2.120668|3.397838|2.881897|3.648299|4.530073|6.858321|8.856835|17.502443|8.859330|6.872515|4.542475|5.067714|2.961344|2.725593|2.949882|2.532425|2.140024|2.056547|2.273724|2.845717|2.188091|1.944727|1.951450|2.208926|2.572192|2.567125|2.035117|1.750477|1.651227|1.704401|2.128744|0.038053|0.045909|0.055957|0.057589|0.069092|0.078644|0.076078|0.098062|0.103295|0.120471|0.111964|0.171099|0.207031|0.211703|0.173690|0.303891|0.500000| |2.253368|1.378629|1.481105|1.637440|1.665790|1.870831|2.881146|2.463358|2.880393|3.647491|4.532032|6.863180|8.860076|17.499895|8.857807|6.881220|6.303593|3.732525|3.417876|3.615410|3.070493|2.518052|2.483546|2.798973|3.468035|2.666364|2.317829|2.293217|2.593007|3.088837|3.166867|1.825957|1.599637|1.487222|1.513370|1.891651|0.033950|0.040143|0.048459|0.051957|0.057683|0.069091|0.067417|0.076059|0.078410|0.103632|0.098055|0.111990|0.120460|0.207265|0.171244|0.173731|0.211749|0.500000| |2.283945|1.395710|1.515343|1.673951|1.676583|1.870888|2.878316|2.462517|2.879194|3.646323|4.530819|6.859868|8.858475|17.500867|8.848284|6.879680|6.290881|3.705862|3.187201|3.138046|2.641180|2.265136|2.305174|2.663533|3.432664|2.751097|2.449290|2.510269|2.942572|3.494877|3.343120|1.786898|1.570144|1.465131|1.510333|1.895879|0.034218|0.041422|0.050151|0.052594|0.058524|0.067333|0.069107|0.078534|0.075894|0.098052|0.103562|0.120448|0.111965|0.171139|0.207145|0.211758|0.173733|0.303849|0.500000| |2.166862|1.309196|1.416196|1.537492|1.522490|1.656131|2.548870|2.093225|2.461603|2.879004|3.647015|4.531195|6.862253|8.856674|17.484348|8.876556|9.652425|4.709052|3.785241|3.734296|2.920969|2.515103|2.516107|2.997224|3.815017|3.115621|2.700067|2.772303|3.363863|4.258634|4.027007|1.578698|1.402494|1.336516|1.385702|1.764735|0.032469|0.039066|0.045790|0.045835|0.052644|0.056579|0.057568|0.069060|0.067221|0.076052|0.078526|0.103569|0.098049|0.111989|0.120432|0.207215|0.171306|0.173668|0.211602|0.500000| |2.138582|1.293688|1.386555|1.507198|1.512518|1.653877|2.546933|2.090237|2.457414|2.873066|3.636896|4.516926|6.826699|8.818577|17.536819|8.917850|9.748693|4.781250|4.203972|4.645065|3.545683|2.882073|2.759263|3.202233|3.872158|3.000632|2.531296|2.491597|2.872050|3.586134|3.739012|1.603395|1.421793|1.351741|1.386468|1.759447|0.032208|0.037946|0.044434|0.045353|0.051949|0.057516|0.056490|0.067226|0.068809|0.078401|0.075887|0.097766|0.103283|0.120141|0.111685|0.170430|0.206104|0.211039|0.173272|0.303643|0.500000| |1.938337|1.169498|1.245448|1.350912|1.364167|1.495553|2.248836|1.852461|2.089771|2.456730|2.874947|3.637760|4.524181|6.832331|8.868250|17.582084|12.511112|7.174034|6.266503|6.241212|4.591601|3.592533|3.652356|4.485208|5.261796|4.049118|3.226494|3.057628|3.465513|4.492192|5.159409|1.465511|1.316071|1.239701|1.259282|1.598242|0.029311|0.034026|0.039641|0.041565|0.045413|0.051733|0.051009|0.056487|0.057425|0.068937|0.067183|0.075938|0.078472|0.103292|0.097707|0.111871|0.120500|0.205900|0.170029|0.173937|0.213713|0.500000| |1.959283|1.181034|1.266900|1.372959|1.372101|1.498370|2.251493|1.856447|2.093749|2.463924|2.882037|3.653352|4.536544|6.883056|8.831038|17.463143|12.201508|6.920109|5.081285|4.420245|3.428210|2.945690|3.139569|3.970065|5.125276|4.348850|3.603182|3.629803|4.453640|6.085064|6.004512|1.447897|1.301870|1.228620|1.259223|1.602583|0.029507|0.034824|0.040606|0.041978|0.045890|0.051115|0.051868|0.057578|0.056508|0.067452|0.069130|0.078562|0.076102|0.098289|0.103767|0.120437|0.112107|0.172028|0.207918|0.210560|0.173882|0.303725|0.500000| |1.875508|1.121326|1.199111|1.284264|1.274333|1.368889|2.058796|1.657000|1.876477|2.120746|2.501529|2.935815|3.740337|4.678262|7.222658|9.369757|25.940117|9.513776|6.010595|5.132535|3.645584|3.234130|3.347912|4.381819|5.568918|4.810703|3.837617|3.833294|4.798667|7.164774|7.299939|1.320424|1.194927|1.144367|1.177667|1.513793|0.028256|0.033155|0.037815|0.037944|0.042360|0.045272|0.045716|0.052369|0.051625|0.057363|0.058272|0.070073|0.068492|0.077564|0.079881|0.105908|0.100680|0.115379|0.123510|0.216527|0.180640|0.181985|0.216274|0.500000| |1.711814|1.019933|1.073132|1.144033|1.153095|1.237194|1.840835|1.464222|1.628397|1.805333|2.062059|2.339901|2.784395|3.253965|4.126163|4.863107|8.643785|6.617716|8.963875|17.512760|8.866803|6.653904|5.363131|6.062139|6.070679|4.067587|3.138937|2.788048|2.933679|3.603944|4.567887|1.222297|1.115629|1.069296|1.082633|1.392684|0.026023|0.029423|0.033145|0.033964|0.037355|0.040858|0.039766|0.044433|0.045907|0.050494|0.048478|0.055684|0.058788|0.065739|0.061479|0.073554|0.081203|0.092385|0.081576|0.103256|0.128809|0.143521|0.110003|0.144626|0.500000| |1.804512|1.081804|1.141028|1.226404|1.242475|1.348011|2.013351|1.624803|1.814715|2.058054|2.365820|2.785271|3.343466|4.163612|5.256079|6.673800|9.960557|6.988677|8.856829|17.614097|8.862011|5.530199|4.893532|5.642191|5.764094|3.971751|3.071699|2.766883|2.962597|3.695664|4.623363|1.335015|1.210005|1.149446|1.160736|1.482318|0.027414|0.031156|0.035624|0.037112|0.040611|0.045619|0.044183|0.049006|0.050929|0.058176|0.055263|0.062702|0.067038|0.079896|0.072834|0.084909|0.096744|0.124598|0.101943|0.119793|0.163127|0.234442|0.140912|0.149739|0.306209|0.500000| |1.649474|0.983257|1.026165|1.094621|1.115080|1.200653|1.770699|1.406837|1.540859|1.701950|1.893738|2.129046|2.409793|2.752806|3.139228|3.550511|5.259484|4.103403|5.491461|8.871052|17.540376|8.798073|5.523362|4.833916|4.954098|3.141016|2.559040|2.260585|2.296344|2.664609|3.241026|1.203839|1.104222|1.053580|1.054765|1.353527|0.025202|0.027964|0.031475|0.032917|0.035567|0.039812|0.038070|0.041447|0.043681|0.048592|0.045513|0.050152|0.054354|0.061765|0.055794|0.062098|0.070674|0.082391|0.069611|0.077226|0.096149|0.113150|0.085200|0.091518|0.220807|0.210185|0.500000| |1.642035|0.980869|1.025763|1.097718|1.119097|1.211050|1.779346|1.425750|1.552378|1.736668|1.916458|2.199806|2.459342|2.914855|3.255536|3.928684|5.567713|4.631461|6.526680|8.829526|17.500764|8.883157|7.044700|6.037022|5.946565|3.647428|2.910492|2.519725|2.530443|2.942345|3.681114|1.213550|1.113293|1.055282|1.055660|1.350959|0.025070|0.027940|0.031645|0.033439|0.035657|0.040441|0.038912|0.041649|0.043515|0.049792|0.046988|0.050539|0.054067|0.064338|0.058620|0.062885|0.070112|0.088956|0.075429|0.078841|0.094905|0.132249|0.096837|0.094269|0.174183|0.218600|0.303255|0.500000| |1.515245|0.897569|0.937318|0.992372|1.002443|1.068611|1.566167|1.233751|1.342624|1.466471|1.621367|1.800788|2.033840|2.308056|2.681600|3.112608|5.007421|4.346585|6.072995|6.972727|8.861398|17.503698|8.832296|6.602860|6.588603|3.837521|3.088021|2.611616|2.550793|2.901824|3.658607|1.063084|0.982844|0.943714|0.950006|1.228243|0.023130|0.025704|0.028565|0.029415|0.031699|0.034589|0.033656|0.036589|0.037762|0.041275|0.039710|0.043814|0.045935|0.051022|0.048160|0.054139|0.058306|0.066246|0.060324|0.069324|0.078944|0.092468|0.077839|0.090925|0.199333|0.140945|0.210161|0.173860|0.500000| |1.481190|0.878219|0.913953|0.968920|0.984134|1.052357|1.533749|1.210275|1.305423|1.427999|1.557684|1.731796|1.913363|2.169627|2.424468|2.799581|4.208149|3.585702|4.825513|5.499794|8.800635|17.543535|8.854539|5.491822|5.750977|3.330286|2.769432|2.350759|2.269873|2.530104|3.115642|1.054296|0.977557|0.934730|0.935405|1.206923|0.022664|0.024982|0.027808|0.029012|0.030873|0.034173|0.033043|0.035322|0.036689|0.040593|0.038721|0.041700|0.044058|0.049776|0.046448|0.050323|0.054640|0.063642|0.057097|0.061857|0.070573|0.085843|0.071384|0.076074|0.139008|0.123513|0.213526|0.210929|0.303109|0.500000| |1.438192|0.851067|0.889501|0.941089|0.948984|1.011445|1.471312|1.161664|1.251360|1.371043|1.495444|1.670634|1.852325|2.129214|2.412748|2.897431|4.525149|4.259272|5.659114|4.860768|5.522581|8.762409|17.591053|8.998131|10.367159|4.975722|4.050108|3.164984|2.883755|3.144629|4.064255|1.004125|0.932747|0.892847|0.899079|1.163327|0.021948|0.024432|0.027129|0.028054|0.029783|0.032546|0.032011|0.034166|0.034800|0.038555|0.037655|0.040540|0.041662|0.047256|0.045637|0.049592|0.051691|0.060922|0.057573|0.063060|0.067670|0.085507|0.076741|0.083399|0.122710|0.108241|0.123015|0.141704|0.214798|0.207947|0.500000| 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