Version2.0 2020-04-08T01:00:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc[nH+]c(c1)N2CCN(CC2)CC[C@H]3Cn4c5c(cccc5O3)c(c4c6ccc(c(c6)O)O)C C26469682 RHF 6-31G(d) (6D,7F) Cc1cc[nH+]c(c1)N2CCN(CC2)CC[C@H]3Cn4c5c(cccc5O3)c(c4c6ccc(c(c6)O)O)C C01[X(C29H33N4O3)] 201 C1 606 Cc1cc[nH+]c(c1)N1CCN(CC1)CC[C@@H]1Oc2cccc3c2n(C1)c(c1ccc(c(c1)O)O)c3C Cc1cc[nH+]c(c1)N1CCN(CC1)CC[C@@H]1Oc2cccc3c2n(C1)c(c1ccc(c(c1)O)O)c3C Cc1cc[nH+]c(c1)N2CCN(CC[C@H]3Cn4c(c(C)c5cccc(O3)c45)c6ccc(O)c(O)c6)CC2 InChIKey=RCVLKQGNIYPKGH-QFIPXVFZSA-O InChI=1S/C29H32N4O3/c1-19-8-10-30-27(16-19)32-14-12-31(13-15-32)11-9-22-18-33-28(21-6-7-24(34)25(35)17-21)20(2)23-4-3-5-26(36-22)29(23)33/h3-8,10,16-17,22,34-35H,9,11-15,18H2,1-2H3/p+1/t22-/m0/s1 InChI=1/C29H32N4O3/c1-19-8-10-30-27(16-19)32-14-12-31(13-15-32)11-9-22-18-33-28(21-6-7-24(34)25(35)17-21)20(2)23-4-3-5-26(36-22)29(23)33/h3-8,10,16-17,22,34-35H,9,11-15,18H2,1-2H3/p+1/t22-/m0/s1/fC29H33N4O3/h30H/q+1 Cc1cc[nH+]c(c1)N2CCN(CC2)CC[C@H]3Cn4c5c(cccc5O3)c(c4c6ccc(c(c6)O)O)C C01[X(C29H33N4O3)] 201 C01 606 Cc1cc[nH+]c(c1)N1CCN(CC1)CC[C@@H]1Oc2cccc3c2n(C1)c(c1ccc(c(c1)O)O)c3C CC1=C[C@@H](NC=C1)N1CCN(CC1)CC[C@@H]1O[C@@H]2CCC[C@H]3[C@@H]2N(C1)C(=C3C)[C@H]1CC[C@H]([C@H](C1)O)O CC1=C[C@@H](NC=C1)N2CCN(CC[C@H]3CN4[C@@H]5[C@@H](CCC[C@@H]5C(=C4[C@H]6CC[C@@H](O)[C@@H](O)C6)C)O3)CC2 InChIKey=AQUWINVAPUEILF-SKRINDTPSA-N InChI=1S/C29H46N4O3/c1-19-8-10-30-27(16-19)32-14-12-31(13-15-32)11-9-22-18-33-28(21-6-7-24(34)25(35)17-21)20(2)23-4-3-5-26(36-22)29(23)33/h8,10,16,21-27,29-30,34-35H,3-7,9,11-15,17-18H2,1-2H3/t21-,22-,23+,24+,25-,26+,27-,29-/m0/s1 InChI=1/C29H46N4O3/c1-19-8-10-30-27(16-19)32-14-12-31(13-15-32)11-9-22-18-33-28(21-6-7-24(34)25(35)17-21)20(2)23-4-3-5-26(36-22)29(23)33/h8,10,16,21-27,29-30,34-35H,3-7,9,11-15,17-18H2,1-2H3/t21-,22-,23+,24+,25-,26+,27-,29-/m0/s1 3562.9791766230 -1559.5802815 1-A 33923.0955 129 477 606 |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| -20.65326 -20.64820 -20.63358 -15.80532 -15.75528 -15.66138 -15.64932 -11.52061 -11.45596 -11.43072 -11.40690 -11.39893 -11.38818 -11.38600 -11.37089 -11.36759 -11.36408 -11.35840 -11.34984 -11.34617 -11.33935 -11.33839 -11.33393 -11.31789 -11.30707 -11.29595 -11.29554 -11.29066 -11.28541 -11.28080 -11.26999 -11.26979 -11.26905 -11.26874 -11.26715 -11.26074 -1.50979 -1.47895 -1.47818 -1.44437 -1.41747 -1.36073 -1.34911 -1.28085 -1.21379 -1.20851 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2006.05 2026.96 2030.01 2049.36 2064.42 2073.74 2077.32 2091.71 2107.80 2139.44 2151.52 2155.41 2164.62 2189.71 2203.77 2208.49 2217.59 2224.26 2242.52 2246.50 2257.94 2263.73 2280.27 2293.69 2304.96 2308.84 2329.03 2329.30 2342.77 2345.69 2348.76 2348.95 2360.25 2363.62 2367.74 2372.75 2380.69 2381.77 2400.94 2410.10 2449.74 2452.09 2537.31 2581.56 2594.68 2605.94 2622.01 2632.99 2663.89 4510.86 4514.41 4529.24 4599.87 4601.17 4618.11 4628.56 4631.89 4633.20 4663.11 4667.62 4698.27 4721.99 4723.40 4732.54 4738.55 4746.49 4748.97 4764.77 4777.22 4835.33 4838.04 4841.10 4852.01 4863.23 4878.36 4886.05 4915.39 4948.84 4987.23 5590.14 5875.97 5928.96 0.626557 0.657034 0.657979 0.560624 -1558.953725 -1558.923247 -1558.922303 -1559.019657 3.265269D-04 MUNgauss RevisionA2.0 retrievium 08-Apr-2020 DUDE Cc1cc[nH+]c(c1)N2CCN(CC2)CC[C@H]3Cn4c5c(cccc5O3)c(c4c6ccc(c(c6)O)O)C C26469682 RHF 6-31G(d) (6D,10F) C1 485.255266 |X|Y|Z| 73.674709 167.142177 23.622517 66.258798 32 6 7 8 27 4 1 |36.858105| |12.674345|36.858105| |7.544517|13.353361|36.858105| |5.090053|8.021011|14.222934|36.858105| |4.513973|7.010465|8.096866|13.948566|53.358707| |3.654045|5.133618|5.905037|9.428612|26.056379|0.500000| |4.994771|7.850755|6.786618|7.950001|19.236196|0.260954|36.858105| |7.618274|13.963959|7.896025|6.962797|11.052753|0.162427|13.419861|36.858105| |3.856945|5.192691|4.601303|5.296833|11.183592|0.210899|14.263500|7.809888|53.358707| |3.046332|3.907614|3.791766|4.605041|9.334988|0.221046|7.765972|5.029739|17.640510|36.858105| |2.599600|3.146286|2.996669|3.437522|6.175395|0.137882|5.165914|3.924799|10.490836|12.501488|36.858105| |2.517109|2.955100|2.723020|2.997530|5.180511|0.110113|4.543133|3.716931|9.073376|7.794495|13.203131|53.358707| |2.904323|3.387309|2.966813|3.152068|5.412650|0.108316|5.171795|4.468947|10.475793|6.676274|8.102489|17.943767|36.858105| |3.599217|4.420526|3.722579|3.948409|7.101683|0.135127|7.768576|6.441570|17.566931|7.724289|6.699405|10.657319|12.537178|36.858105| |2.143141|2.435472|2.268026|2.457990|4.051229|0.086073|3.397825|2.935051|6.061550|5.069700|7.884814|17.747464|7.817721|5.065025|36.858105| |1.979294|2.199757|2.038062|2.170444|3.487699|0.073196|2.909819|2.608593|4.956664|3.909474|5.082974|10.427887|6.091856|4.353310|12.471002|36.858105| |1.722701|1.884802|1.766153|1.870369|2.935424|0.061701|2.386953|2.177543|3.896537|3.077952|3.881001|6.766247|4.221141|3.254793|7.530138|12.512360|36.858105| |1.709049|1.857778|1.734386|1.825274|2.848064|0.059450|2.321939|2.140378|3.759196|2.923747|3.705027|6.255576|4.095996|3.119400|6.896880|8.843853|17.520357|0.500000| |1.598478|1.723039|1.612597|1.688902|2.607784|0.054391|2.109669|1.964665|3.353488|2.580290|3.056218|5.164630|3.447470|2.820982|4.886027|7.516335|12.386561|0.247830|36.858105| |1.437187|1.538879|1.452943|1.519556|2.317832|0.048439|1.847301|1.729286|2.882295|2.227995|2.610891|4.179266|2.805915|2.355345|3.862240|5.054591|7.928278|0.200864|13.201381|53.358707| |1.388330|1.495581|1.426954|1.504643|2.295296|0.048417|1.806493|1.673257|2.815186|2.224210|2.630869|4.079417|2.656926|2.243796|3.806892|4.614580|7.130644|0.182602|7.986879|19.043857|36.858105| |1.261601|1.349345|1.294039|1.359376|2.049944|0.043177|1.598391|1.492265|2.450098|1.923658|2.223337|3.355622|2.228866|1.929695|2.993028|3.459079|4.710128|0.127088|5.333098|11.497291|13.782717|36.858105| |1.202542|1.288987|1.246917|1.315669|1.976462|0.041860|1.523877|1.416575|2.321021|1.841757|2.119466|3.110244|2.048630|1.794380|2.732261|3.003887|3.868227|0.105271|4.010784|7.289401|7.989453|13.573256|36.858105| |1.248647|1.349419|1.312629|1.396550|2.109010|0.045026|1.616873|1.486253|2.475931|2.000427|2.330576|3.364368|2.164962|1.889898|2.982772|3.168158|4.023644|0.108433|3.843861|6.396885|7.057073|7.980186|13.831529|36.858105| |1.373024|1.497751|1.453800|1.557338|2.382069|0.051125|1.835916|1.667279|2.858783|2.348028|2.814891|4.100411|2.554576|2.186223|3.785651|3.990774|5.238574|0.136688|4.562331|7.122044|8.088930|6.797793|7.791608|13.510175|36.858105| |1.460766|1.592444|1.528167|1.629446|2.510631|0.053517|1.967209|1.791421|3.104172|2.520205|3.065746|4.699209|2.921667|2.438090|4.563144|5.249643|8.086351|0.196451|6.768889|10.657872|13.777015|7.785243|6.752883|7.943231|13.902218|36.858105| |1.629336|1.795570|1.712467|1.836610|2.878669|0.061525|2.285353|2.052813|3.702453|3.047769|3.865571|6.226533|3.671612|2.950832|6.675897|8.069484|13.435704|0.259690|7.755242|9.225537|8.076103|5.207920|4.555495|5.178707|7.891453|13.967597|73.516695| |1.228962|1.303039|1.242744|1.294603|1.941203|0.040571|1.520964|1.436988|2.314933|1.785009|2.030793|3.094780|2.111705|1.844134|2.698970|3.182779|4.174713|0.113877|5.222510|11.531162|8.454833|13.135777|7.177511|4.993216|4.528560|5.296865|7.399450|36.858105| |1.321069|1.400208|1.324229|1.375452|2.073057|0.043134|1.642414|1.555985|2.518555|1.923834|2.197382|3.438706|2.369307|2.044769|3.026424|3.753676|5.055756|0.135927|7.346439|18.661178|8.597470|8.424153|5.210200|4.179559|4.194879|5.361661|8.140986|13.990987|36.858105| |1.316324|1.382020|1.298345|1.336476|2.002936|0.041331|1.595534|1.531736|2.426828|1.818327|2.040553|3.209264|2.280347|1.993592|2.736914|3.393102|4.194604|0.114195|6.034161|10.400846|5.259209|5.118642|3.735739|3.154516|3.189298|3.898636|6.446112|7.398655|12.860769|36.858105| |1.368320|1.427520|1.329747|1.359315|2.035081|0.041681|1.635503|1.585692|2.484517|1.833089|2.057565|3.255764|2.376314|2.062669|2.763119|3.391707|4.068071|0.116484|5.483861|8.311488|4.374012|4.098177|3.163019|2.772083|2.855083|3.464149|5.979775|5.251282|7.625881|13.728433|36.858105| |1.343341|1.387369|1.287602|1.305648|1.940045|0.039486|1.560356|1.531705|2.343284|1.704967|1.878398|2.950834|2.199873|1.950296|2.424934|2.909887|3.272920|0.092818|4.154040|5.844007|3.336476|3.186475|2.590954|2.312381|2.371008|2.787267|4.906561|3.922367|5.047511|7.895972|13.735906|36.858105| |1.272316|1.310992|1.222353|1.238852|1.831234|0.037315|1.462884|1.437578|2.180114|1.588945|1.726815|2.687618|1.992412|1.802255|2.170536|2.584828|2.849661|0.078571|3.599503|5.061945|2.991518|2.929683|2.423480|2.156719|2.184981|2.522393|4.410801|3.626803|4.455716|6.817764|7.938637|13.808499|36.858105| |1.229664|1.274923|1.197316|1.220967|1.806908|0.037048|1.433408|1.396364|2.139807|1.578579|1.715911|2.660043|1.933859|1.754792|2.156814|2.584610|2.891663|0.077838|3.743981|5.444156|3.235182|3.244674|2.655347|2.323188|2.324350|2.676231|4.587612|4.158917|5.061437|7.909870|6.902636|7.965458|13.677359|36.858105| |1.249100|1.306199|1.231234|1.264720|1.883215|0.038846|1.491283|1.437260|2.246068|1.678692|1.849086|2.876849|2.050709|1.835736|2.383828|2.904011|3.394240|0.090207|4.625457|7.248582|4.143591|4.212033|3.275092|2.786105|2.770827|3.252837|5.422707|5.836240|7.631393|13.654812|7.963561|6.889386|7.921518|13.830405|36.858105| |1.164157|1.202829|1.133916|1.154326|1.697867|0.034806|1.338836|1.308061|1.981311|1.460189|1.566824|2.402041|1.747420|1.612954|1.914116|2.252788|2.458532|0.065739|3.062689|4.372053|2.728077|2.770558|2.350634|2.079294|2.065691|2.323837|3.994611|3.414943|3.877044|5.178000|4.626470|5.294664|8.182116|14.005763|7.880387|73.516695| |1.238530|1.265356|1.178058|1.186411|1.741453|0.035327|1.389514|1.378322|2.049931|1.480749|1.588809|2.451123|1.839464|1.690653|1.941736|2.264370|2.423615|0.067014|2.931535|4.028375|2.473480|2.428145|2.071014|1.871593|1.895663|2.149460|3.796667|2.895943|3.389064|4.601691|5.253528|8.077980|14.156777|7.994917|5.237853|12.679482|73.516695| |1.124614|1.184186|1.132811|1.174951|1.745292|0.036385|1.359321|1.293858|2.042848|1.564873|1.751334|2.625689|1.816389|1.614736|2.227767|2.549832|3.146787|0.087057|3.749932|6.987245|5.140062|7.273737|5.687887|4.055577|3.528235|3.812526|5.593416|12.688842|7.406122|5.895468|4.470856|3.619258|3.500483|4.080536|5.417929|6.192521|5.078809|36.858105| |17.559983|8.933390|6.786560|4.684590|5.517430|0.093480|4.294755|5.936511|4.632830|2.772145|2.367451|3.141444|2.615086|3.216708|1.981034|1.854332|1.622458|0.044465|1.520017|1.864899|1.323271|1.207507|1.152062|1.193563|1.306976|1.387584|2.737760|1.179424|1.265745|1.264644|1.309661|1.290823|1.230863|1.192784|1.207988|2.018589|2.138004|1.083180|0.500000| |17.622264|8.843879|5.541699|4.208097|5.468812|0.092450|4.717211|7.268958|5.231576|2.989746|2.612180|3.529188|3.074808|3.796697|2.216012|2.064646|1.791544|0.049545|1.668643|2.033144|1.431820|1.298209|1.230137|1.271489|1.398248|1.498207|2.976240|1.270752|1.373781|1.377024|1.441536|1.421205|1.341691|1.288650|1.304171|2.163405|2.326954|1.161485|0.300738|0.500000| |17.561379|8.930793|6.792256|4.691119|5.523676|0.093302|4.304554|5.942638|4.652963|2.790805|2.425776|3.159971|2.643336|3.152022|2.008343|1.846013|1.626434|0.045121|1.507023|1.859912|1.325702|1.210107|1.158195|1.203393|1.318390|1.394714|2.748105|1.177579|1.259820|1.253014|1.303543|1.279185|1.210246|1.168980|1.187782|1.967943|2.096098|1.081408|0.302287|0.300709|0.500000| |6.953116|8.724553|17.768450|9.078858|7.792214|0.128732|4.911070|5.623096|4.975362|3.145083|2.574467|3.214486|2.545976|3.086519|2.012203|1.828492|1.606498|0.043918|1.478947|1.828283|1.321005|1.206357|1.165966|1.224363|1.346333|1.408087|2.778296|1.161528|1.232701|1.211307|1.239767|1.205019|1.148215|1.125032|1.153394|1.901859|1.975119|1.064956|0.191458|0.139524|0.191546|0.500000| |4.095404|5.633257|8.934032|17.776954|12.565351|0.232845|5.746593|5.008401|5.918694|4.112610|3.151956|3.708862|2.780888|3.345043|2.280428|2.020573|1.763656|0.047739|1.596422|1.970956|1.444095|1.311771|1.278120|1.361022|1.512161|1.567351|3.116626|1.245535|1.314746|1.272855|1.287739|1.235257|1.176140|1.164288|1.208082|1.962849|2.002052|1.134222|0.108699|0.096002|0.108815|0.213086|0.500000| |7.078437|9.055644|5.634744|5.008867|7.816891|0.127373|8.841553|17.844958|9.580475|4.569203|3.819922|5.196540|4.898737|7.096820|3.040178|2.741718|2.275016|0.062464|2.062441|2.454073|1.725485|1.534158|1.444758|1.505962|1.688334|1.832304|3.741164|1.487012|1.622728|1.609699|1.682076|1.632056|1.524258|1.469089|1.505689|2.437494|2.602670|1.336704|0.153318|0.224205|0.153966|0.123838|0.108642|0.500000| |2.853117|3.603918|3.562653|4.333204|8.385867|0.205827|6.488204|4.473080|12.337622|17.538955|8.854497|9.408675|5.689039|6.720608|4.715507|3.867431|3.040621|0.078282|2.595974|3.038282|2.229766|1.931107|1.849355|2.007933|2.354503|2.525026|5.419893|1.792837|1.931299|1.825206|1.820321|1.695234|1.594423|1.597030|1.700433|2.640092|2.640790|1.571789|0.073964|0.077508|0.071992|0.083334|0.110386|0.113214|0.500000| |3.010636|3.900620|3.990265|5.104741|10.442429|0.279550|7.270742|4.759698|12.358936|17.615190|9.033952|7.748945|5.052107|5.637442|4.217739|3.304532|2.726682|0.072985|2.305592|2.770872|2.056298|1.802052|1.747139|1.907203|2.218180|2.330856|4.894884|1.667078|1.775475|1.674274|1.685442|1.570929|1.467985|1.459923|1.550453|2.410847|2.440615|1.473916|0.075974|0.080251|0.078195|0.092189|0.130612|0.115697|0.299225|0.500000| |2.307360|2.753040|2.694925|3.115787|5.408558|0.124975|4.218905|3.295776|7.672837|9.006384|17.601179|12.505001|5.777265|4.986182|7.330101|4.892821|3.918979|0.102104|3.062519|3.618115|2.750255|2.323678|2.247506|2.521929|3.096372|3.298857|7.409066|2.085570|2.227273|2.034972|2.020121|1.829872|1.691388|1.699328|1.848074|2.764629|2.754383|1.793702|0.059219|0.063863|0.060322|0.065468|0.081886|0.088218|0.221037|0.217229|0.500000| |2.618835|3.143379|2.982707|3.376525|5.916989|0.128472|4.937740|3.881993|9.297211|8.881169|17.424677|12.261419|7.248375|5.854585|6.879728|4.491693|3.626596|0.100540|2.858862|3.394930|2.521114|2.150743|2.060956|2.263846|2.707380|2.916131|6.374326|1.966610|2.115793|1.967701|2.005273|1.832907|1.673642|1.650792|1.773127|2.674577|2.744980|1.706231|0.065349|0.073222|0.069009|0.071495|0.085909|0.105619|0.174069|0.224056|0.301310|0.500000| |2.712261|3.051181|2.658712|2.762816|4.562928|0.090810|4.227707|3.896626|7.667168|4.969262|5.772681|12.458658|17.619407|9.034614|7.218643|6.858080|4.600129|0.123116|3.875180|4.156852|2.800193|2.332724|2.104345|2.187851|2.564523|3.001129|6.694154|2.245972|2.573291|2.517863|2.658736|2.468999|2.217919|2.133129|2.252430|3.398329|3.627472|1.921222|0.068746|0.081088|0.068451|0.064447|0.068330|0.121992|0.127189|0.110129|0.128112|0.146130|0.500000| |2.942705|3.392135|2.952465|3.097688|5.219501|0.103035|4.944312|4.426370|9.292487|5.854690|7.264228|12.273896|17.420085|8.860070|6.841932|5.171250|3.910659|0.111005|3.183572|3.632756|2.545343|2.156311|1.994090|2.107348|2.467740|2.788510|6.090608|2.042539|2.273572|2.188010|2.308253|2.139523|1.921189|1.849205|1.955013|2.965189|3.164062|1.768402|0.072325|0.087028|0.075778|0.070681|0.075863|0.136411|0.132224|0.133818|0.146389|0.218397|0.301539|0.500000| |4.138827|4.927143|3.873398|3.878055|6.585047|0.119390|7.312553|7.473860|12.325849|5.633413|5.033152|7.733049|8.952011|17.714322|4.186722|3.759248|2.929101|0.079486|2.604286|2.994728|2.077373|1.806486|1.676722|1.748485|1.994306|2.217636|4.670275|1.746794|1.938833|1.917485|2.009186|1.926175|1.778791|1.713387|1.771557|2.806453|2.995955|1.543176|0.100477|0.126973|0.098689|0.089359|0.089843|0.274217|0.138630|0.127131|0.109960|0.132453|0.217217|0.218712|0.500000| |3.349764|4.041765|3.495328|3.721477|6.527298|0.127452|6.503014|5.518384|12.422625|6.811049|5.776982|9.559380|8.894048|17.562007|4.743921|4.381164|3.245533|0.084024|2.884073|3.243405|2.257945|1.942339|1.800044|1.889031|2.180961|2.441142|5.249473|1.863824|2.073856|2.030354|2.079482|1.973124|1.843342|1.808079|1.889457|2.970338|3.075444|1.631239|0.086081|0.097356|0.080745|0.081672|0.089180|0.163072|0.193321|0.139376|0.129124|0.133368|0.220438|0.173950|0.301776|0.500000| |1.995099|2.273314|2.164067|2.376932|3.894299|0.084640|3.146262|2.685825|5.464026|4.880807|7.628201|12.559328|5.724084|4.236521|17.639864|8.964300|7.020035|0.174274|4.581449|5.186410|3.983014|3.129755|2.931826|3.317701|4.385595|5.120443|13.762057|2.732908|2.981744|2.627905|2.591139|2.261577|2.046994|2.064139|2.304629|3.278030|3.251634|2.252200|0.051553|0.056593|0.052296|0.053678|0.062269|0.075582|0.129276|0.117409|0.239276|0.183074|0.144385|0.144977|0.098283|0.112686|0.500000| |2.128622|2.392279|2.213506|2.370595|3.853923|0.080711|3.242537|2.866536|5.634112|4.494853|6.740452|12.257546|7.231114|4.646519|17.430666|8.800995|6.846163|0.206015|4.538577|5.100463|3.685559|2.938312|2.687298|2.913095|3.630736|4.314262|10.441114|2.663751|2.974531|2.702512|2.792341|2.447114|2.156817|2.113594|2.323522|3.316808|3.436942|2.213048|0.054205|0.061491|0.055970|0.054778|0.060981|0.083373|0.111588|0.108418|0.168425|0.192488|0.186457|0.208229|0.112130|0.115515|0.302922|0.500000| |2.065632|2.268980|2.064788|2.163652|3.453788|0.071088|2.941815|2.707851|4.965999|3.685682|4.548525|9.294925|6.573329|4.618099|8.783480|17.538176|8.958428|0.212768|7.037746|6.411302|4.056548|3.155011|2.713717|2.783930|3.353411|4.282880|10.278967|3.028337|3.654292|3.480583|3.626303|3.169814|2.774940|2.707081|2.975149|4.166411|4.340708|2.465677|0.053643|0.060680|0.053251|0.051438|0.055406|0.080936|0.100170|0.086384|0.115768|0.114889|0.239516|0.154216|0.114498|0.128734|0.174205|0.210187|0.500000| |1.959785|2.188861|2.045001|2.192548|3.527819|0.074721|2.909105|2.583850|4.929282|3.961628|4.888673|9.659622|5.476272|4.287027|8.905041|17.563871|8.899115|0.173874|6.863131|6.391587|4.355295|3.333623|2.924397|3.091818|3.866204|4.953416|12.977543|3.073948|3.586123|3.259239|3.158721|2.754441|2.517366|2.566745|2.883998|4.037681|3.939847|2.483357|0.051488|0.056423|0.050465|0.050987|0.056961|0.074569|0.114523|0.092150|0.135024|0.114527|0.167297|0.124200|0.101201|0.127058|0.214624|0.173542|0.302139|0.500000| |1.640309|1.752549|1.623003|1.682700|2.588197|0.053394|2.116924|2.001827|3.347525|2.506453|2.924808|4.990385|3.517773|2.876428|4.540490|6.807036|8.842064|0.217261|17.621918|12.439404|5.824705|4.390961|3.397794|3.220007|3.682333|5.003390|10.045304|4.609344|6.619064|6.471819|6.640994|4.999705|4.125774|4.086117|4.844346|5.793696|5.901433|3.497101|0.043278|0.047977|0.042881|0.041359|0.043914|0.059115|0.069470|0.062048|0.079314|0.076818|0.113896|0.090841|0.075174|0.081398|0.112808|0.121214|0.209144|0.166787|0.500000| |1.593776|1.722878|1.619150|1.701138|2.627128|0.055011|2.114170|1.960664|3.352459|2.594518|3.007280|5.068566|3.340264|2.816894|4.552857|6.949110|8.797669|0.174074|17.516424|12.360667|6.679389|4.827906|3.767984|3.645789|4.289544|6.010609|12.269748|4.742260|6.284350|5.429673|4.702965|3.792100|3.472773|3.738539|4.598967|5.587758|5.094185|3.530270|0.042364|0.046054|0.041542|0.041260|0.044772|0.056859|0.074122|0.064086|0.084480|0.076431|0.103824|0.083586|0.071674|0.082088|0.120959|0.112087|0.177316|0.208386|0.300997|0.500000| |1.126376|1.201666|1.165298|1.225817|1.828358|0.038648|1.403462|1.311817|2.117586|1.670327|1.895813|2.755145|1.837557|1.629721|2.368371|2.573741|3.190602|0.087678|3.343347|5.864632|5.647488|8.789240|17.722032|8.934228|5.579819|4.890094|6.442834|6.300808|4.486079|3.406141|2.901978|2.429979|2.306345|2.537874|3.084343|4.056622|3.538096|5.920359|0.030052|0.031973|0.030211|0.030399|0.033170|0.037122|0.046604|0.044286|0.055601|0.051433|0.052360|0.049885|0.042580|0.045424|0.069981|0.065037|0.065717|0.069966|0.081385|0.088465|0.500000| |1.195351|1.291479|1.264357|1.347564|2.024128|0.043330|1.537988|1.413318|2.335768|1.893003|2.181315|3.082713|1.990962|1.760561|2.670262|2.759216|3.344024|0.090887|3.170814|5.056047|5.047174|5.662028|8.979360|17.718307|8.907601|5.671256|7.451452|4.017081|3.409376|2.696249|2.407688|2.053493|1.932860|2.073171|2.435985|3.349637|3.023608|3.501105|0.031786|0.033676|0.032108|0.032873|0.036681|0.039572|0.052787|0.050694|0.065930|0.059172|0.055356|0.054094|0.045344|0.048797|0.082817|0.072702|0.067982|0.075310|0.075831|0.084773|0.216394|0.500000| |1.405882|1.545015|1.510442|1.631940|2.505598|0.054267|1.914347|1.719595|2.986847|2.503764|3.026321|4.272238|2.606824|2.242358|3.898384|3.868798|4.712953|0.123228|3.928257|5.707439|5.704768|4.914094|5.585828|8.802023|17.729654|8.966368|12.630633|3.609673|3.432579|2.740731|2.509096|2.130204|1.972434|2.078936|2.423785|3.324915|3.085536|2.945027|0.037122|0.039556|0.037551|0.038799|0.044216|0.047980|0.069703|0.066341|0.095112|0.080826|0.071194|0.070067|0.056363|0.061880|0.131340|0.103011|0.089367|0.105039|0.090559|0.104647|0.123352|0.214790|0.500000| |1.417596|1.481999|1.377026|1.408618|2.116342|0.043315|1.707937|1.653475|2.608908|1.924588|2.190190|3.476463|2.545655|2.168242|3.008507|3.661126|4.503491|0.136815|5.750111|8.684023|4.608442|4.179190|3.241616|2.882770|3.012354|3.695091|6.435747|5.046607|7.041020|8.921472|17.721668|8.935292|5.655775|4.968058|5.653468|6.522987|7.546945|4.176636|0.037471|0.041545|0.037600|0.035575|0.036989|0.048845|0.052545|0.049163|0.059471|0.059894|0.079118|0.069617|0.058676|0.059927|0.077706|0.086501|0.109291|0.091390|0.196647|0.128269|0.081584|0.069281|0.073572|0.500000| |1.369348|1.405021|1.297204|1.307781|1.937611|0.039226|1.564788|1.549448|2.339478|1.684244|1.848885|2.895893|2.198179|1.952677|2.356246|2.772610|3.043296|0.088018|3.671410|5.023044|2.961678|2.809907|2.340818|2.123898|2.189776|2.547514|4.549631|3.324622|4.100867|5.618160|8.863551|17.734817|9.008760|5.672152|4.962102|7.624463|13.169678|3.097331|0.036475|0.040442|0.036282|0.033752|0.034271|0.046132|0.046200|0.043177|0.049604|0.050512|0.068701|0.060026|0.054171|0.054448|0.060509|0.066926|0.085157|0.072091|0.123230|0.092561|0.061183|0.052881|0.055318|0.214100|0.500000| |1.207864|1.267119|1.201750|1.239357|1.843673|0.038204|1.449818|1.390113|2.179907|1.643619|1.804205|2.782120|1.957199|1.765223|2.296702|2.773101|3.233579|0.084395|4.313757|6.861830|4.170403|4.402012|3.465782|2.912579|2.847583|3.283948|5.368681|6.074912|7.055232|8.887981|5.653041|4.959261|5.640567|8.957506|17.699979|12.646329|7.515952|5.842280|0.032532|0.034863|0.031914|0.031313|0.033022|0.040197|0.046553|0.042297|0.050567|0.047830|0.059075|0.051613|0.047039|0.050706|0.062615|0.061547|0.077207|0.077969|0.118490|0.124348|0.091630|0.070882|0.068950|0.124119|0.107658|0.500000| |1.131108|1.172360|1.110445|1.134333|1.668103|0.034319|1.308878|1.272895|1.936621|1.437288|1.541757|2.350912|1.693188|1.566083|1.875464|2.199319|2.413145|0.064028|2.994978|4.344353|2.765276|2.858920|2.441323|2.144493|2.108696|2.351158|3.993809|3.532305|3.882456|4.912425|4.151447|4.427777|6.063244|9.914843|7.630015|35.756667|9.384907|3.679260|0.030681|0.032718|0.029896|0.029123|0.030233|0.036886|0.040753|0.037163|0.042786|0.041024|0.051084|0.044807|0.042358|0.045149|0.050656|0.050527|0.062670|0.062102|0.086163|0.086551|0.066334|0.054082|0.052903|0.093624|0.101268|0.224574|0.500000| |1.189659|1.215413|1.136108|1.145112|1.676252|0.034060|1.330897|1.318686|1.956302|1.417492|1.512338|2.319197|1.730276|1.604033|1.826611|2.119688|2.259416|0.061872|2.720202|3.754905|2.343337|2.325495|2.002317|1.808266|1.820238|2.045126|3.595070|2.766887|3.168019|4.183225|4.440697|6.053145|10.073454|7.930878|5.051028|15.587709|35.665952|2.777129|0.032206|0.034813|0.031459|0.029828|0.030276|0.038744|0.039685|0.036588|0.041137|0.040704|0.052968|0.046342|0.044312|0.045807|0.048134|0.050193|0.062834|0.058295|0.083682|0.075215|0.053824|0.045864|0.046389|0.101088|0.151343|0.118365|0.171118|0.500000| |1.093960|1.150735|1.102854|1.143595|1.694678|0.035329|1.316474|1.253958|1.972684|1.512251|1.695325|2.515236|1.742626|1.548595|2.134123|2.388645|2.932793|0.083043|3.338199|6.058714|4.659991|6.583410|5.746179|4.085218|3.454132|3.605716|5.269532|8.892981|5.790266|4.743161|3.938055|3.250146|3.085191|3.435149|4.265936|5.305645|4.594676|17.540710|0.029222|0.031348|0.029330|0.028846|0.030713|0.035935|0.041954|0.039805|0.048278|0.046277|0.050824|0.047569|0.041197|0.043150|0.060192|0.059607|0.064055|0.063946|0.087052|0.086004|0.177266|0.100048|0.080683|0.106775|0.079662|0.122669|0.086239|0.069454|0.500000| |1.114829|1.167746|1.113035|1.148702|1.701397|0.035309|1.329362|1.274071|1.990437|1.509918|1.677954|2.526727|1.772286|1.582654|2.121513|2.440055|2.950818|0.082024|3.576638|6.375473|4.344772|5.440797|4.341483|3.335558|3.022314|3.317664|5.079918|8.862338|6.961331|6.667239|5.031781|4.163368|4.117885|4.900409|6.492341|7.279756|5.860724|17.597882|0.029864|0.032083|0.029762|0.029103|0.030736|0.036708|0.042096|0.039436|0.047317|0.045454|0.052459|0.047961|0.042303|0.044464|0.058765|0.058712|0.066821|0.065950|0.096326|0.093726|0.123137|0.081459|0.071727|0.124493|0.096859|0.186596|0.119435|0.089076|0.302122|0.500000| 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