Version2.1 2020-11-29T19:01:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(Oc4cccc(CN(CCOc1ccccc1)c3nc2ccccc2o3)c4)C(O)=O 411810 CHEMBL247919 RHF 6-31G(d) (6D,7F) CC(C)(Oc4cccc(CN(CCOc1ccccc1)c3nc2ccccc2o3)c4)C(O)=O C01[X(C26H26N2O5)] 171 C1 547 OC(=O)C(Oc1cccc(c1)CN(c1nc2c(o1)cccc2)CCOc1ccccc1)(C)C OC(=O)C(Oc1cccc(c1)CN(c1nc2c(o1)cccc2)CCOc1ccccc1)(C)C CC(C)(Oc1cccc(CN(CCOc2ccccc2)c3oc4ccccc4n3)c1)C(O)=O InChIKey=BAUUYHPDJJBWOY-UHFFFAOYSA-N InChI=1S/C26H26N2O5/c1-26(2,24(29)30)33-21-12-8-9-19(17-21)18-28(15-16-31-20-10-4-3-5-11-20)25-27-22-13-6-7-14-23(22)32-25/h3-14,17H,15-16,18H2,1-2H3,(H,29,30) InChI=1/C26H26N2O5/c1-26(2,24(29)30)33-21-12-8-9-19(17-21)18-28(15-16-31-20-10-4-3-5-11-20)25-27-22-13-6-7-14-23(22)32-25/h3-14,17H,15-16,18H2,1-2H3,(H,29,30)/f/h29H CC(C)(Oc4cccc(CN(CCOc1ccccc1)c3nc2ccccc2o3)c4)C(O)=O C01[X(C26H26N2O5)] 171 C01 547 OC(=O)C(Oc1cccc(c1)CN(c1nc2c(o1)cccc2)CCOc1ccccc1)(C)C OC(=O)C(O[C]1[CH][CH][CH][C]([CH]1)CN([C]1[N][C]2[C]([CH][CH][CH][CH]2)O1)CCO[C]1[CH][CH][CH][CH][CH]1)(C)C CC(C)(O[C]1[CH][CH][CH][C]([CH]1)CN(CCO[C]2[CH][CH][CH][CH][CH]2)[C]3[N][C]4[CH][CH][CH][CH][C]4O3)C(O)=O InChIKey=BAUUYHPDJJBWOY-UHFFFAOYSA-N InChI=1S/C26H26N2O5/c1-26(2,24(29)30)33-21-12-8-9-19(17-21)18-28(15-16-31-20-10-4-3-5-11-20)25-27-22-13-6-7-14-23(22)32-25/h3-14,17H,15-16,18H2,1-2H3,(H,29,30) InChI=1/C26H26N2O5/c1-26(2,24(29)30)33-21-12-8-9-19(17-21)18-28(15-16-31-20-10-4-3-5-11-20)25-27-22-13-6-7-14-23(22)32-25/h3-14,17H,15-16,18H2,1-2H3,(H,29,30)/f/h29H 3194.9817726279 -1482.9376575 1-A 21109.8870 118 429 547 |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| -20.63393 -20.62691 -20.58719 -20.58358 -20.56490 -15.59600 -15.53140 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0.6866 0.6034 0.4791 0.8165 0.6924 0.8571 0.8521 0.6325 0.7891 0.8570 0.7590 0.3570 0.8538 0.8438 0.0949 0.1197 0.8516 0.8539 0.1655 0.3676 0.6548 0.8566 0.3560 0.5677 0.3413 0.8143 0.4470 0.3675 0.8269 0.1940 0.3626 0.7122 0.4297 0.8499 0.8569 0.8526 0.8569 0.8101 0.2651 0.1815 0.8378 0.8191 0.8458 0.2453 0.8391 0.7756 0.7776 0.2430 0.8553 0.7360 0.7877 0.6154 0.7708 0.6918 0.4459 0.6056 0.7071 0.6604 0.8418 0.7654 0.8116 0.4723 0.5367 0.3977 0.3793 0.3686 0.8571 0.4508 0.4671 0.5361 0.1921 0.8555 0.6832 0.8291 0.5924 0.4608 0.3863 0.8495 0.8357 0.6310 0.5347 0.8103 0.4509 0.7421 0.4454 0.6453 0.6304 0.6729 0.8505 0.8450 0.5708 0.7925 0.8571 0.7535 0.8228 0.6368 0.6268 0.7168 0.4936 0.5311 0.8220 0.7912 0.8508 0.6809 0.7767 0.6445 0.3825 0.3690 0.1182 0.0215 0.2321 0.7849 0.8569 0.8569 0.8532 0.7762 0.4727 0.7722 0.6418 0.8178 0.8486 0.8559 0.4820 0.6647 0.2981 0.4360 0.6661 0.2350 0.2250 0.2274 0.3709 0.4743 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 8 6 6 6 6 6 6 7 6 6 8 6 6 6 6 6 6 6 7 6 6 6 6 6 6 8 6 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 15.99491 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 11875.9764 28312.1345 36983.0551 0.99999 0.00245 0.00364 -0.00246 1.00000 0.00057 -0.00364 -0.00058 0.99999 1 0.00729 0.00306 0.00234 0.15197 0.06374 0.04880 12.96 15.74 20.71 23.27 40.18 52.68 56.34 67.85 99.98 114.20 129.78 158.75 170.18 189.48 222.30 276.97 329.15 337.55 379.84 393.49 400.80 406.32 414.47 425.93 439.85 452.75 499.39 501.29 536.73 546.25 568.29 594.17 660.43 666.13 690.31 700.66 723.04 746.98 795.30 822.22 829.74 878.57 911.60 916.25 918.28 926.62 939.25 956.04 971.66 990.46 1016.77 1085.12 1109.10 1136.67 1154.05 1186.67 1191.77 1208.29 1223.84 1225.99 1238.52 1252.89 1272.77 1310.33 1342.63 1374.71 1394.97 1398.49 1413.32 1433.69 1448.05 1453.79 1464.07 1484.99 1510.09 1514.35 1530.36 1559.99 1566.56 1572.56 1574.93 1579.76 1586.74 1603.24 1603.71 1613.86 1621.52 1635.29 1674.79 1706.83 1724.11 1741.50 1742.87 1763.83 1768.82 1776.22 1814.49 1829.05 1844.39 1864.11 1874.50 1896.30 1913.97 1919.14 1924.36 1932.54 1937.36 1983.22 2018.41 2024.62 2033.83 2042.29 2052.43 2076.70 2090.19 2101.17 2127.44 2164.83 2193.36 2230.34 2236.40 2263.97 2271.05 2312.33 2315.11 2338.49 2343.62 2348.01 2356.77 2362.84 2363.38 2367.65 2381.69 2383.60 2396.05 2406.22 2427.09 2537.01 2573.35 2573.40 2603.38 2607.72 2613.85 2634.53 2932.05 4617.31 4644.43 4644.61 4653.66 4675.75 4678.73 4747.36 4752.00 4768.70 4780.94 4798.17 4830.23 4832.31 4836.44 4839.63 4844.51 4847.64 4861.96 4867.26 4869.49 4885.39 4885.75 4891.24 4896.54 4942.11 5828.10 0.515040 0.542442 0.543386 0.450049 -1482.422618 -1482.395216 -1482.394272 -1482.487609 3.130538D-04 MUNgauss RevisionA2.0 retrievium 29-Nov-2020 DUDE CC(C)(Oc4cccc(CN(CCOc1ccccc1)c3nc2ccccc2o3)c4)C(O)=O 411810 CHEMBL247919 RHF 6-31G(d) (6D,10F) C1 446.184172 |X|Y|Z| 75.419933 119.797844 32.713580 66.612296 26 6 7 8 22 2 2 |36.858105| |12.440435|36.858105| |7.550545|12.434952|36.858105| |7.754788|13.508756|8.178407|73.516695| |6.648641|7.819014|5.271307|24.757258|36.858105| |5.238119|5.882438|4.142325|14.080002|13.781230|36.858105| |4.121900|4.223359|3.238209|9.264335|7.980560|13.715943|36.858105| |3.838312|3.754797|3.009150|8.187304|6.875986|7.898496|13.788584|36.858105| |4.285965|4.130056|3.365635|9.308568|7.896202|6.817150|7.930521|13.688131|36.858105| |3.502186|3.291223|2.862380|6.949184|5.012046|4.418141|5.013695|7.523452|12.552174|36.858105| |2.807931|2.730171|2.430932|5.732118|3.981981|3.751072|4.400678|6.332142|7.684195|13.088131|53.358707| |2.615881|2.655471|2.409427|5.710375|3.864180|3.641966|4.125029|5.396644|6.232791|7.596818|17.824209|36.858105| |2.605043|2.680570|2.521944|5.770134|3.694438|3.292200|3.460636|4.209742|5.189597|6.237289|10.400522|12.525666|36.858105| |2.375816|2.380972|2.274997|4.925021|3.080675|2.761996|2.904237|3.508782|4.256529|5.553895|9.156466|8.045074|13.622332|73.516695| |2.239880|2.253404|2.216700|4.577290|2.753733|2.443158|2.496075|2.900912|3.476239|4.259739|6.301255|5.211695|7.985793|25.068463|36.858105| |2.025273|2.002651|1.977889|3.961550|2.367289|2.131384|2.189127|2.525716|2.953354|3.634808|5.326423|4.079134|5.254746|14.581901|13.673491|36.858105| |1.876015|1.860912|1.873206|3.623684|2.116403|1.906268|1.928961|2.173194|2.505657|2.953887|4.182432|3.194690|3.983464|9.420140|7.937579|13.825477|36.858105| |1.886139|1.900227|1.949089|3.702179|2.119074|1.892996|1.882686|2.084758|2.403642|2.733466|3.792910|2.968532|3.780067|8.196440|6.843111|7.918396|13.694305|36.858105| |2.054872|2.108870|2.174409|4.186391|2.381570|2.100465|2.067007|2.281309|2.661515|2.973210|4.104786|3.331770|4.500304|9.237868|7.945106|6.896300|7.980175|13.810605|36.858105| |2.259701|2.327098|2.347934|4.746439|2.765032|2.419759|2.402753|2.705988|3.226563|3.678648|5.179486|4.391580|6.698613|13.982000|13.748640|7.922000|6.872206|7.897055|13.692843|36.858105| |2.432016|2.331027|2.100730|4.721038|3.170763|3.072365|3.602847|4.848399|5.262491|7.783476|19.219908|7.921250|5.552609|10.194714|4.164387|3.813273|2.996268|2.637299|2.748603|3.341397|36.858105| |2.103059|2.044881|1.868528|4.108351|2.692542|2.653347|3.076014|3.889043|4.017109|5.196809|10.990671|6.727089|4.940418|9.337864|3.929962|3.701779|2.928652|2.557814|2.632816|3.154339|14.866449|53.358707| |1.944091|1.862583|1.708257|3.657617|2.363598|2.343168|2.693769|3.307800|3.364906|4.232668|7.548508|4.565553|3.715701|7.220672|3.294291|3.284686|2.685915|2.325861|2.332255|2.693138|9.042969|18.674094|36.858105| |1.705441|1.641857|1.520191|3.188404|2.024125|2.021162|2.291266|2.705838|2.712585|3.238343|5.430326|3.558014|3.041825|5.905204|2.832581|2.897567|2.447317|2.126320|2.102901|2.368103|5.487646|10.246882|13.772891|36.858105| |1.618992|1.542777|1.431513|2.952205|1.858360|1.857202|2.087667|2.426095|2.427483|2.853183|4.500572|2.914100|2.565343|4.969976|2.463781|2.564247|2.224628|1.940721|1.898374|2.095889|4.316207|6.968488|8.037432|13.714183|36.858105| |1.708850|1.603616|1.481566|3.041648|1.918454|1.910210|2.145615|2.504753|2.520913|2.986534|4.518015|2.814843|2.492979|4.821390|2.403774|2.505211|2.184693|1.909594|1.865720|2.052987|4.301794|6.286157|6.898238|7.840748|13.689476|36.858105| |1.948565|1.806715|1.653599|3.438874|2.198149|2.173146|2.462212|2.953532|3.012635|3.700784|5.512084|3.231231|2.819063|5.446870|2.661650|2.736916|2.345648|2.047754|2.018031|2.250852|5.453981|7.256212|7.814869|6.706956|7.864702|13.692660|36.858105| |2.099311|1.966791|1.790300|3.819623|2.482158|2.444250|2.812086|3.501165|3.610534|4.681497|7.588667|4.193187|3.493098|6.765692|3.147178|3.158232|2.613151|2.269348|2.268024|2.597634|8.870507|11.505834|13.771793|7.976757|7.046588|8.146396|13.902647|36.858105| |2.459677|2.287376|2.054664|4.508333|3.003259|2.909884|3.386446|4.468717|4.820196|7.009146|11.308031|5.261680|4.225719|7.991462|3.566633|3.433718|2.786004|2.443296|2.492669|2.925913|14.171101|11.657525|8.624600|5.417372|4.700403|5.202953|7.712311|13.908531|73.516695| |5.615381|5.661494|4.429407|14.352623|13.711517|7.928991|6.919192|7.965736|13.757207|7.572386|7.171958|4.875999|4.681794|6.846408|3.342441|2.819278|2.458556|2.426848|2.736206|3.272031|3.933843|4.349428|2.750252|2.295629|2.086635|2.163409|2.528032|2.921364|6.557013|36.858105| |7.573189|12.441556|7.689993|14.095365|5.907828|5.545959|4.008401|3.368538|3.438398|2.768967|3.248881|2.341142|2.314769|3.666970|1.948154|1.749459|1.633403|1.664313|1.831324|2.003400|2.079856|2.526565|1.704661|1.520719|1.435242|1.486487|1.656453|1.787675|3.630096|4.279474|36.858105| |6.719638|8.043307|6.551000|9.469107|4.330435|4.134043|3.259548|2.833271|2.888866|2.422296|2.863382|2.043905|2.027628|3.280358|1.761073|1.605927|1.514003|1.541448|1.676016|1.806249|1.870822|2.288046|1.565590|1.408700|1.342752|1.397397|1.549943|1.650102|3.311374|3.451332|14.304340|73.516695| |5.430981|7.837026|5.648368|12.392660|5.706328|6.026272|4.275126|3.431327|3.363710|2.680317|3.220733|2.357777|2.300567|3.601198|1.898775|1.698213|1.580219|1.608894|1.775063|1.951384|2.061378|2.526649|1.696285|1.517947|1.426068|1.466250|1.624558|1.760550|3.555740|4.050099|16.071766|15.373604|73.516695| |17.618935|8.839420|6.962535|10.045560|4.859338|4.143266|3.408011|3.186503|3.469932|2.966485|3.324959|2.284267|2.285719|3.769089|2.025239|1.858121|1.742724|1.756385|1.894644|2.048584|2.163911|2.580964|1.775435|1.575208|1.508767|1.596104|1.805253|1.917451|3.925172|4.268333|6.874287|13.248218|8.693816|0.500000| |17.588171|8.730854|5.477154|12.122742|6.993988|6.046884|4.828299|4.387649|4.687952|3.708182|4.020866|2.697688|2.604169|4.210918|2.194132|1.990083|1.825633|1.813647|1.963429|2.176021|2.568036|3.001621|2.045406|1.786544|1.698599|1.801861|2.067719|2.226647|4.662611|5.810808|6.885946|10.756399|9.582856|0.301360|0.500000| |17.585970|8.863382|6.877431|12.632713|6.414393|4.760671|3.936247|3.900688|4.650783|3.931487|4.153326|2.805804|2.845306|4.661246|2.483619|2.241884|2.070453|2.077556|2.264636|2.498851|2.621985|3.047754|2.064812|1.797099|1.703266|1.804652|2.075509|2.246208|4.738552|6.262656|5.518342|8.809692|7.699861|0.300840|0.301436|0.500000| |6.947025|8.890528|17.588357|13.156063|5.124278|3.875849|3.131989|3.025283|3.516814|3.070277|3.503716|2.545970|2.728862|4.411120|2.446783|2.174176|2.064105|2.160754|2.425397|2.615187|2.212261|2.662516|1.783533|1.580112|1.485380|1.539228|1.724867|1.873687|3.846136|4.701055|5.570017|8.716742|7.886087|0.173287|0.141135|0.207851|0.500000| |5.500672|8.826425|17.579810|13.340377|4.876610|3.971684|3.106429|2.855263|3.141210|2.676438|3.172585|2.365035|2.491578|3.953536|2.175077|1.928194|1.832769|1.924981|2.168145|2.336526|2.013513|2.465073|1.647227|1.473146|1.381258|1.417851|1.570586|1.705806|3.455479|4.051445|7.030785|10.283684|10.283384|0.141508|0.122783|0.141221|0.301438|0.500000| |6.842761|8.765911|17.607249|10.291632|4.222175|3.528796|2.851120|2.655597|2.913480|2.536323|2.961252|2.137919|2.223334|3.629469|2.002111|1.815740|1.735307|1.801880|1.981941|2.107964|1.914949|2.333949|1.586393|1.422565|1.350435|1.402525|1.558543|1.668448|3.368071|3.654730|6.982468|12.884296|9.014969|0.207013|0.140221|0.168233|0.299921|0.299752|0.500000| |4.926289|5.879281|4.149872|12.783065|8.950994|17.782632|8.861770|5.625300|4.928405|3.539057|4.238895|3.079318|2.836642|4.297984|2.177914|1.919520|1.739856|1.740116|1.924698|2.181837|2.634467|3.172972|2.087181|1.831891|1.695968|1.739073|1.951654|2.162748|4.465830|5.650645|6.451257|8.232316|14.231113|0.112926|0.154920|0.118518|0.103277|0.113431|0.099897|0.500000| |3.515218|3.599668|2.838815|7.475550|5.670356|8.935995|17.714031|8.942417|5.643964|4.087331|5.180332|3.615058|3.022056|4.594070|2.239249|1.991059|1.766913|1.722159|1.874969|2.153892|3.275548|3.929357|2.570751|2.224609|2.038206|2.084983|2.358982|2.658715|5.514562|4.975709|3.612568|5.371164|7.047181|0.083830|0.113817|0.091955|0.075472|0.076560|0.070958|0.214205|0.500000| |3.213036|3.108288|2.575557|6.498421|4.953602|5.629613|8.924678|17.717772|8.899876|6.972889|9.254363|5.492895|4.035664|6.155389|2.824252|2.500050|2.137043|2.021786|2.182543|2.578550|5.593880|6.101973|3.808859|3.065512|2.721391|2.801794|3.326445|4.022815|9.118375|5.656695|2.856567|4.395809|5.191282|0.076543|0.101042|0.090958|0.072120|0.068313|0.064325|0.123815|0.215601|0.500000| |3.556316|3.351831|3.012774|7.049029|4.791833|3.983179|4.192927|5.582234|8.892680|17.556357|12.396436|6.773737|6.853986|11.416639|5.064717|4.209543|3.384628|3.139775|3.452980|4.353327|6.252345|6.186238|3.785379|2.981796|2.653786|2.771205|3.371859|4.130179|10.235803|7.360940|2.745046|4.292093|4.649521|0.083981|0.100535|0.114956|0.092501|0.077894|0.073752|0.090760|0.096284|0.140358|0.500000| |3.433427|3.094116|2.684708|6.232375|4.386206|3.998454|4.585521|6.614997|8.942103|17.676412|12.574162|5.617467|4.742157|8.151640|3.698743|3.340851|2.763475|2.526254|2.672684|3.188051|7.587719|6.840004|4.423102|3.359641|3.041456|3.303814|4.281909|5.340261|15.304665|6.074101|2.637930|4.188262|4.499164|0.082095|0.103051|0.107081|0.079493|0.068897|0.067386|0.090932|0.107357|0.182944|0.304743|0.500000| |2.287355|2.318554|2.125209|4.868829|3.213459|3.121807|3.555597|4.452314|4.743191|5.626256|12.620662|17.692074|8.912592|12.760781|4.841761|3.970035|3.116216|2.855687|3.136202|4.021984|7.835591|11.147693|5.130447|4.034927|3.171936|2.956769|3.304084|4.332437|8.980331|3.844780|2.086978|3.279416|3.760377|0.056372|0.065631|0.067424|0.061904|0.058279|0.053050|0.075356|0.090234|0.132555|0.141339|0.128555|0.500000| |2.759145|2.868501|2.557907|6.345689|4.417436|4.281271|4.935941|6.367479|6.868769|6.792541|12.456644|17.570925|8.963856|10.286739|4.252640|3.393023|2.779752|2.658938|3.017264|3.868914|6.023320|7.157513|3.849958|3.114304|2.610087|2.535412|2.880745|3.608118|7.878038|5.390131|2.553007|3.894610|4.649847|0.066292|0.079551|0.080726|0.073976|0.070425|0.062459|0.099230|0.118610|0.173003|0.163165|0.141284|0.301998|0.500000| |2.384053|2.506009|2.391796|5.380723|3.353148|3.048615|3.162454|3.668230|4.254974|4.687388|7.621537|8.947103|17.536029|16.494216|7.044685|4.767437|3.796761|3.737323|4.577745|6.739801|4.459997|5.805117|3.289911|2.798311|2.365004|2.264225|2.497134|3.025005|6.213767|3.996730|2.202431|3.432739|3.938047|0.058677|0.065840|0.071173|0.071222|0.066869|0.058718|0.074676|0.078337|0.098126|0.138236|0.104667|0.218924|0.216157|0.500000| |2.982572|3.100787|2.926690|6.852865|4.359843|3.672768|3.709024|4.455133|5.912827|6.707113|9.189175|8.797694|17.556770|16.550646|7.097293|4.790977|3.815576|3.758562|4.609624|6.801942|4.802486|5.586000|3.253245|2.691138|2.333439|2.314983|2.639631|3.191608|6.971833|5.794502|2.598595|3.999500|4.538873|0.071612|0.081540|0.091998|0.089567|0.079972|0.070391|0.086760|0.087546|0.112447|0.225381|0.137298|0.173833|0.216385|0.301783|0.500000| |1.972023|1.926638|1.878367|3.789351|2.295488|2.094597|2.186767|2.552649|2.949147|3.728334|5.617064|4.110840|4.881061|13.521074|8.958275|17.735299|8.882822|5.623269|4.965751|5.657184|4.268922|5.747526|3.831235|3.363308|2.957855|2.879557|3.147856|3.661876|6.914625|2.737372|1.694699|2.774911|2.929041|0.050332|0.054438|0.060433|0.056880|0.050595|0.048142|0.052291|0.055565|0.071477|0.116671|0.097700|0.114059|0.093358|0.120221|0.120563|0.500000| |1.741494|1.713676|1.723580|3.295674|1.923047|1.748958|1.776153|1.991783|2.264402|2.657301|3.755052|2.805102|3.331400|7.618833|5.650342|8.971459|17.711905|8.894111|5.662589|4.951194|2.762980|3.719102|2.582245|2.400234|2.218826|2.183500|2.314199|2.525094|4.674781|2.210434|1.516362|2.519306|2.606323|0.045306|0.047238|0.053164|0.052448|0.046714|0.044764|0.044581|0.045539|0.054828|0.083019|0.070609|0.077005|0.068402|0.088267|0.088613|0.214521|0.500000| |1.756516|1.769778|1.832690|3.403646|1.927380|1.731470|1.713683|1.874907|2.134936|2.385920|3.282747|2.544076|3.125363|6.504862|4.937030|5.637016|8.876186|17.724662|8.916809|5.624600|2.303559|3.056619|2.075779|1.924922|1.779363|1.754850|1.865045|2.034463|3.849547|2.170723|1.561516|2.592297|2.680648|0.045876|0.046777|0.053460|0.056254|0.050390|0.047496|0.044606|0.043823|0.050537|0.075051|0.062050|0.068400|0.064386|0.086604|0.087026|0.123667|0.213932|0.500000| |2.019699|2.102050|2.206634|4.154314|2.315845|2.040814|1.980949|2.147250|2.480405|2.683988|3.658077|2.976813|3.902746|7.452851|5.658837|4.963562|5.658723|8.935554|17.710025|8.941994|2.437875|3.180449|2.082907|1.893294|1.721306|1.694396|1.824573|2.031801|3.958045|2.602569|1.831981|2.985701|3.158620|0.052004|0.053155|0.061421|0.068400|0.061828|0.055932|0.052474|0.050066|0.056662|0.085429|0.067223|0.077752|0.077095|0.113115|0.113804|0.107733|0.124227|0.214769|0.500000| |2.400549|2.530833|2.557576|5.284489|3.058682|2.650077|2.596122|2.891616|3.459182|3.776633|5.266739|4.668969|7.410561|12.474518|8.869802|5.626440|4.955011|5.644535|8.932140|17.758308|3.275358|4.172894|2.583526|2.264413|2.000090|1.959393|2.152522|2.491006|5.041606|3.594754|2.170069|3.433172|3.780571|0.059916|0.063928|0.073287|0.079048|0.071640|0.062874|0.066301|0.064193|0.075300|0.122698|0.088797|0.115541|0.119024|0.224578|0.226497|0.124146|0.107551|0.124199|0.217186|0.500000| |1.609911|1.567501|1.459195|3.053408|1.925543|1.928478|2.173222|2.527969|2.521971|2.943790|4.966303|3.445514|2.975486|5.731630|2.773868|2.825726|2.404630|2.102539|2.083492|2.339598|4.733072|9.054312|8.887885|17.737623|8.839817|5.591663|4.866742|5.653426|7.782040|2.162013|1.459089|2.400058|2.603049|0.041364|0.046625|0.046917|0.042046|0.039548|0.037909|0.048876|0.058938|0.078860|0.076074|0.082611|0.111919|0.084478|0.077964|0.072301|0.090007|0.065441|0.052990|0.052266|0.062309|0.500000| |1.483787|1.420200|1.325230|2.704252|1.686401|1.690007|1.883621|2.149527|2.141367|2.462572|3.827029|2.551680|2.285440|4.403707|2.226491|2.329724|2.059558|1.809133|1.761568|1.921094|3.505981|5.593581|5.691164|8.937867|17.715240|8.936117|5.625974|5.041501|6.605472|1.870445|1.329824|2.221442|2.353773|0.038634|0.043099|0.043164|0.038098|0.035640|0.034861|0.043255|0.051437|0.066299|0.064320|0.072111|0.077222|0.064360|0.059464|0.058011|0.073825|0.057542|0.046488|0.044640|0.050964|0.213758|0.500000| |1.611024|1.506645|1.397404|2.828825|1.767817|1.762311|1.960628|2.248574|2.257677|2.618092|3.848238|2.437949|2.198111|4.227241|2.150846|2.254030|2.005310|1.765970|1.716944|1.864642|3.494751|4.988069|4.965933|5.612857|8.912168|17.724939|8.922720|5.735880|7.398778|1.970804|1.403940|2.364315|2.457283|0.042139|0.047132|0.047104|0.040239|0.037114|0.036978|0.044931|0.053197|0.069024|0.068252|0.080429|0.070427|0.061884|0.055941|0.057397|0.071127|0.056173|0.045517|0.043600|0.049474|0.123516|0.216514|0.500000| |2.025774|1.848889|1.688167|3.477121|2.215688|2.181921|2.452858|2.919230|2.995583|3.635648|5.093016|2.972318|2.639485|5.056392|2.512283|2.581365|2.244842|1.976475|1.947087|2.154164|4.711468|5.903544|5.586776|4.866974|5.593226|8.805457|17.738994|8.887728|12.087047|2.542047|1.691996|2.833574|2.928192|0.052386|0.059955|0.060102|0.048928|0.044204|0.044425|0.054492|0.065080|0.089930|0.092731|0.120856|0.082221|0.074755|0.064818|0.070217|0.081251|0.061673|0.050290|0.049162|0.057359|0.106085|0.123497|0.212448|0.500000| |5.561680|5.550505|4.742768|13.273568|8.969927|5.661147|4.975945|5.644692|8.886216|6.994380|6.666252|4.607045|4.861813|7.311479|3.690928|3.082038|2.702832|2.696894|3.075859|3.685250|3.732850|4.161762|2.650684|2.225238|2.030800|2.107954|2.456113|2.818025|6.272218|17.711716|4.001605|5.900038|6.529069|0.119653|0.146915|0.189156|0.150578|0.118553|0.107430|0.124734|0.107911|0.123957|0.225785|0.157753|0.101548|0.133542|0.114025|0.177783|0.081595|0.066832|0.066655|0.081219|0.112558|0.058273|0.050695|0.053520|0.068817|0.500000| 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