Version2.0 2020-02-01T11:10:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)N([C@@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)CNC(=O)c4ccco4)C C13508198 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)N([C@@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)CNC(=O)c4ccco4)C C01[X(C28H32N4O4)] 198 C1 604 Cc1ccc(c(c1)N([C@@H](c1cccnc1)C(=O)NC1CCCCC1)C(=O)CNC(=O)c1ccco1)C Cc1ccc(c(c1)N([C@@H](c1cccnc1)C(=O)NC1CCCCC1)C(=O)CNC(=O)c1ccco1)C Cc1ccc(C)c(c1)N([C@H](C(=O)NC2CCCCC2)c3cccnc3)C(=O)CNC(=O)c4occc4 InChIKey=RXORRFVIILIQNF-SANMLTNESA-N InChI=1S/C28H32N4O4/c1-19-12-13-20(2)23(16-19)32(25(33)18-30-27(34)24-11-7-15-36-24)26(21-8-6-14-29-17-21)28(35)31-22-9-4-3-5-10-22/h6-8,11-17,22,26H,3-5,9-10,18H2,1-2H3,(H,30,34)(H,31,35)/t26-/m0/s1 InChI=1/C28H32N4O4/c1-19-12-13-20(2)23(16-19)32(25(33)18-30-27(34)24-11-7-15-36-24)26(21-8-6-14-29-17-21)28(35)31-22-9-4-3-5-10-22/h6-8,11-17,22,26H,3-5,9-10,18H2,1-2H3,(H,30,34)(H,31,35)/t26-/m0/s1/f/h30-31H Cc1ccc(c(c1)N([C@@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)CNC(=O)c4ccco4)C C01[X(C28H32N4O4)] 198 C01 604 Cc1ccc(c(c1)N([C@@H](c1cccnc1)C(=O)NC1CCCCC1)C(=O)CNC(=O)c1ccco1)C Cc1ccc(c(c1)N([C@@H](c1cccnc1)C(=O)NC1CCCCC1)C(=O)CNC(=O)c1ccco1)C Cc1ccc(C)c(c1)N([C@H](C(=O)NC2CCCCC2)c3cccnc3)C(=O)CNC(=O)c4occc4 InChIKey=RXORRFVIILIQNF-SANMLTNESA-N InChI=1S/C28H32N4O4/c1-19-12-13-20(2)23(16-19)32(25(33)18-30-27(34)24-11-7-15-36-24)26(21-8-6-14-29-17-21)28(35)31-22-9-4-3-5-10-22/h6-8,11-17,22,26H,3-5,9-10,18H2,1-2H3,(H,30,34)(H,31,35)/t26-/m0/s1 InChI=1/C28H32N4O4/c1-19-12-13-20(2)23(16-19)32(25(33)18-30-27(34)24-11-7-15-36-24)26(21-8-6-14-29-17-21)28(35)31-22-9-4-3-5-10-22/h6-8,11-17,22,26H,3-5,9-10,18H2,1-2H3,(H,30,34)(H,31,35)/t26-/m0/s1/f/h30-31H 3897.3053515912 -1596.2393804 1-A 20249.7672 130 474 604 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206.35 220.36 231.82 275.87 284.29 323.81 343.30 348.16 357.65 367.79 399.17 449.01 474.16 508.14 513.24 525.59 541.21 576.08 596.05 650.20 664.15 682.38 688.35 707.96 722.86 740.38 770.39 781.16 814.57 830.56 862.57 880.03 896.52 944.00 949.10 968.37 976.20 978.61 1033.57 1077.50 1105.89 1127.58 1143.11 1173.38 1186.74 1221.94 1235.22 1244.61 1254.30 1288.58 1301.20 1313.72 1321.13 1338.38 1376.98 1391.23 1397.71 1404.84 1410.98 1416.26 1452.95 1468.36 1478.30 1510.51 1517.79 1541.29 1546.74 1551.59 1566.34 1579.98 1584.78 1585.95 1602.72 1604.41 1608.00 1619.52 1625.30 1648.27 1663.99 1669.54 1687.24 1688.23 1695.21 1716.85 1728.40 1732.86 1747.98 1754.36 1764.38 1808.35 1832.40 1853.27 1858.70 1880.74 1898.77 1904.83 1914.13 1918.61 1942.55 1953.14 1981.46 1988.53 2000.41 2007.30 2014.49 2017.68 2030.80 2055.83 2075.39 2102.88 2127.04 2150.37 2165.38 2192.65 2195.66 2198.21 2205.17 2222.50 2232.40 2246.68 2251.30 2257.76 2266.85 2281.59 2311.26 2345.37 2347.54 2352.21 2353.23 2354.64 2359.27 2360.65 2363.38 2371.83 2383.59 2387.11 2402.08 2422.31 2465.34 2491.23 2543.08 2572.86 2605.49 2613.02 2622.63 2710.27 2782.33 2785.57 4572.33 4581.79 4586.56 4589.52 4592.64 4612.84 4640.66 4648.33 4654.35 4655.42 4662.53 4677.61 4682.90 4692.13 4702.18 4723.66 4732.47 4734.53 4742.20 4783.12 4825.13 4830.00 4843.12 4853.90 4857.64 4884.05 4955.99 4956.58 4989.78 5011.44 5537.09 5586.91 0.608193 0.640252 0.641197 0.538187 -1595.631188 -1595.599128 -1595.598184 -1595.701194 3.454972D-04 MUNgauss RevisionA2.0 retrievium 01-Feb-2020 DUDE Cc1ccc(c(c1)N([C@@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)CNC(=O)c4ccco4)C C13508198 RHF 6-31G(d) (6D,10F) C1 488.242356 |X|Y|Z| 45.153139 89.386306 101.098962 74.171184 31 6 7 8 26 4 1 |36.858105| |12.613278|36.858105| |7.539862|13.690393|36.858105| |5.016465|7.903614|13.818199|36.858105| |4.386745|6.725809|7.855700|13.661606|36.858105| |4.994277|7.856323|6.906039|8.017607|13.694786|36.858105| |7.544548|13.782147|8.036546|6.959007|7.874989|13.683766|36.858105| |3.849763|5.127929|4.538847|5.126804|7.718053|13.230924|7.850479|53.358707| |3.328870|4.137190|3.715280|4.092834|5.543236|7.471453|5.698640|17.458062|36.858105| |2.994505|3.557362|3.169736|3.406681|4.387372|5.693611|4.747751|12.718974|17.690802|0.500000| |3.671087|4.396692|3.789458|3.911582|4.810833|6.368624|5.868611|10.302915|12.565598|0.252615|36.858105| |3.459174|3.830007|3.217979|3.182694|3.703110|4.773856|4.890943|7.590083|7.633125|0.211037|13.750646|36.858105| |3.425399|3.569436|3.006140|2.878860|3.172990|3.878559|4.206186|5.610143|5.045094|0.136142|7.944198|13.754574|36.858105| |3.603816|3.740176|3.216408|3.046438|3.253696|3.818827|4.169286|5.161503|4.497114|0.113788|7.003313|8.043665|13.800789|36.858105| |3.826345|4.220649|3.745720|3.620101|3.874499|4.438243|4.672724|5.743193|5.018364|0.118131|7.964776|6.912978|8.008430|14.405923|53.358707| |3.877321|4.656578|4.161914|4.252360|4.920580|5.871250|5.631527|7.802035|7.391990|0.155880|13.648342|8.036253|7.033843|8.396621|19.670900|36.858105| |2.790707|3.428019|3.315803|3.843609|5.159163|5.671935|4.279679|10.431493|12.365016|0.250279|7.419381|5.163972|3.932253|3.750620|5.898930|6.078939|36.858105| |2.727411|3.333851|3.330625|3.898992|4.993596|5.046638|3.955447|7.844064|7.884236|0.166994|6.572808|4.607686|3.771693|3.830721|6.362796|6.535502|15.829488|73.516695| |2.429040|2.915685|2.847881|3.292197|4.295457|4.567866|3.551787|8.440401|7.887172|0.212781|5.137955|4.117167|3.237379|3.028766|4.546428|4.278854|14.181272|15.090610|53.358707| |2.101925|2.477658|2.489659|2.890356|3.588190|3.566438|2.878701|5.890007|5.002029|0.135013|3.823466|3.204978|2.672543|2.567532|3.851782|3.451313|7.744556|12.062868|17.812909|36.858105| |1.939563|2.263922|2.285595|2.642260|3.219788|3.169069|2.597728|5.151097|3.986075|0.111721|3.103706|2.705733|2.290843|2.185679|3.216810|2.802229|5.185036|8.061416|10.621390|12.449556|36.858105| |1.705428|1.958165|2.001397|2.292919|2.682219|2.585771|2.184515|3.995099|3.076969|0.085428|2.550028|2.266180|1.978302|1.915137|2.810038|2.380634|3.859633|6.499493|6.816272|7.532808|12.436902|36.858105| |1.586112|1.794744|1.816388|2.041659|2.350776|2.308232|1.993810|3.559423|2.846142|0.080122|2.436283|2.205492|1.947993|1.883862|2.736644|2.282934|3.541231|6.098382|6.025979|6.430522|7.517208|12.441147|36.858105| |1.671840|1.896465|1.914420|2.150406|2.484203|2.450245|2.113692|3.780568|3.157655|0.087624|2.743393|2.453724|2.168209|2.113347|3.098110|2.596744|4.113998|7.384137|6.779569|7.527561|6.445279|7.539971|12.442842|36.858105| |1.890061|2.169351|2.157707|2.429427|2.891472|2.927877|2.480244|4.713104|4.165295|0.116780|3.471977|3.042842|2.600981|2.494562|3.669741|3.173233|5.853311|9.960974|10.485081|12.430447|7.544893|6.453461|7.529517|12.440025|36.858105| |3.352720|4.200838|3.779227|4.189163|5.745561|7.802847|5.826459|19.115561|7.858493|0.219673|5.241414|4.481761|3.442035|3.099064|4.483034|4.121113|5.828216|7.893223|7.806625|4.145172|3.940043|3.005304|2.632615|2.693231|3.304930|36.858105| |2.814704|3.352773|3.059022|3.346608|4.331109|5.353812|4.362659|11.527998|7.062724|0.238512|4.743203|4.290016|3.284669|2.891801|4.083856|3.671677|5.665606|7.477316|8.555138|4.469218|4.376179|3.242979|2.862414|2.890565|3.609171|15.747420|73.516695| |3.494266|4.345967|3.965298|4.315140|5.502356|6.756909|5.618646|10.526169|4.984256|0.135689|3.921346|3.503783|2.884268|2.664470|3.833260|3.354300|4.115782|6.120042|5.566980|3.294646|3.296587|2.644644|2.299136|2.299755|2.690825|12.518417|14.281151|36.858105| |2.837900|3.311433|3.082125|3.301080|3.954219|4.496928|3.989425|7.086850|3.949120|0.114120|3.189148|2.974867|2.498498|2.289152|3.226937|2.745887|3.443448|5.170769|4.939518|3.046566|3.210811|2.608273|2.264584|2.205895|2.536214|7.920441|12.981720|13.261829|53.358707| |2.653346|3.005891|2.850414|2.999751|3.397122|3.679473|3.417971|5.349892|3.120735|0.088720|2.647627|2.502883|2.171676|2.018637|2.835777|2.356025|2.802010|4.361320|3.982741|2.565857|2.734106|2.312238|2.018116|1.948401|2.181714|5.172463|8.577210|7.878761|19.302002|36.858105| |2.837010|3.200815|3.077204|3.194362|3.482353|3.673935|3.505303|4.997448|2.896153|0.080153|2.523661|2.372675|2.093748|1.976749|2.793838|2.300205|2.609098|4.151567|3.615866|2.355232|2.470665|2.127652|1.864013|1.813594|2.012420|4.498280|7.097853|6.912029|11.543713|15.822942|73.516695| |2.219273|2.445560|2.334069|2.442797|2.721682|2.907455|2.731075|4.287576|2.658663|0.077127|2.288629|2.205004|1.936866|1.794786|2.494525|2.043919|2.445174|3.836630|3.549251|2.348812|2.560435|2.211654|1.947527|1.850183|2.040766|3.993583|7.189518|5.094430|10.851347|12.879070|14.494160|36.858105| |2.006310|2.167761|2.090826|2.166500|2.349148|2.462103|2.354512|3.535718|2.243704|0.064538|1.978793|1.919090|1.717553|1.605721|2.225840|1.797985|2.092098|3.346000|3.013602|2.038161|2.219167|1.971150|1.752431|1.659694|1.800158|3.131599|5.596007|3.841644|7.040246|7.439787|11.428329|14.198934|36.858105| |1.780111|1.909141|1.839933|1.908294|2.074301|2.176447|2.077612|3.176225|2.077103|0.060524|1.838401|1.800434|1.616862|1.505253|2.073347|1.666547|1.958854|3.136085|2.857712|1.957340|2.153852|1.935959|1.738925|1.631077|1.755607|2.784065|5.154942|3.209495|5.709761|5.177858|7.852831|8.593447|13.273866|36.858105| |1.813019|1.961307|1.876538|1.959900|2.171174|2.307535|2.175285|3.466814|2.286022|0.067792|1.992524|1.956228|1.735269|1.599238|2.197617|1.779643|2.153563|3.399386|3.195383|2.173122|2.416169|2.138919|1.920242|1.792060|1.946575|3.109679|5.985304|3.477648|6.415725|5.345913|7.525557|8.802334|8.607533|14.197235|36.858105| |2.055271|2.260838|2.147142|2.258210|2.551948|2.753157|2.559568|4.218109|2.705088|0.080595|2.304352|2.241765|1.954318|1.791008|2.472663|2.029657|2.507792|3.889989|3.732671|2.475170|2.743040|2.353732|2.084672|1.960528|2.169700|3.971617|7.705573|4.586301|9.532036|7.797681|9.581413|14.094127|8.612462|8.622849|14.223450|73.516695| |3.254580|4.386158|5.020960|7.592558|12.601576|7.445405|4.974174|8.711266|5.134630|0.116278|4.159249|3.244775|2.774247|2.819550|4.514180|4.171117|5.655776|9.897985|6.837793|4.411816|3.980999|3.275523|2.759206|2.892253|3.342076|5.313459|7.660228|4.915494|5.192704|3.279091|5.823455|2.698537|2.332215|2.085375|2.199193|4.574980|36.858105| |17.542407|8.853749|6.548008|4.547573|3.943395|4.338152|6.003924|4.688352|3.126562|0.077884|3.572234|3.385522|3.496713|3.859529|5.614889|3.959936|2.675065|4.754294|3.143568|2.020103|1.846481|1.638818|1.538349|1.635002|1.840459|2.965012|4.525871|2.994648|3.381272|2.321747|4.359805|1.981118|1.804744|1.621508|1.654622|3.301850|3.018587|0.500000| |17.580556|8.838725|5.573289|4.176272|3.931554|4.727636|7.213907|5.274223|3.383358|0.086609|3.770871|3.725666|3.711138|3.750414|5.153452|3.808150|2.759683|4.704613|3.293666|2.074244|1.919234|1.679913|1.570478|1.652693|1.878532|3.445698|5.197047|3.567209|3.989364|2.725167|5.113864|2.289576|2.061879|1.835187|1.877351|3.789916|3.004164|0.301981|0.500000| |17.556000|8.841873|6.846485|4.636726|3.931676|4.240724|5.777381|4.559686|2.881249|0.073084|3.071496|2.910428|2.872970|2.993412|4.296663|3.207078|2.481238|4.314616|3.004986|1.940779|1.818701|1.613829|1.496105|1.562340|1.745502|3.032100|4.573244|3.280849|3.710763|2.623969|5.106690|2.201134|2.017132|1.777205|1.786963|3.575519|3.011982|0.301978|0.301736|0.500000| |6.985528|8.902532|17.699415|8.966587|5.619434|4.967927|5.683499|4.916972|3.084335|0.074836|3.183020|2.786450|2.675713|2.894600|4.515686|3.526466|2.822351|5.107270|3.362503|2.210837|2.049077|1.827463|1.669301|1.753726|1.945970|3.126513|4.647488|3.310585|3.658477|2.551191|4.944707|2.130177|1.942605|1.715933|1.733283|3.476977|4.111289|0.181605|0.140510|0.198199|0.500000| |4.098173|5.640652|8.975084|17.711238|8.933820|5.682405|4.996134|5.645986|3.478100|0.082186|3.311207|2.745626|2.520591|2.682203|4.308100|3.622669|3.439043|6.355083|4.119811|2.760708|2.555002|2.266815|2.010248|2.106316|2.330337|3.551338|5.235528|3.682779|4.022091|2.747696|5.225937|2.281795|2.053555|1.817307|1.853722|3.751234|7.108531|0.106874|0.096181|0.109786|0.217650|0.500000| |6.977659|8.936483|5.681793|4.997218|5.638494|8.967205|17.722238|9.985179|5.749721|0.141254|6.236602|5.733538|4.854974|4.518337|6.418427|5.485548|4.079146|6.542133|4.678426|2.759144|2.497406|2.098124|1.938948|2.055121|2.425291|5.821757|8.046747|5.422165|5.450702|3.399299|6.062612|2.754884|2.367257|2.105680|2.221165|4.648681|4.069590|0.156812|0.220255|0.147944|0.124426|0.108266|0.500000| |3.146300|3.442285|2.910897|2.897882|3.390738|4.354772|4.395824|7.348666|7.100678|0.235140|8.902441|17.695085|8.917415|5.686045|6.766073|5.672213|4.830456|7.311120|5.624531|3.191606|2.756215|2.289406|2.231220|2.446088|3.043212|4.725760|8.503370|3.636402|4.320205|2.638338|4.363473|2.347881|2.027573|1.916074|2.107107|4.311610|3.040123|0.083819|0.095621|0.075189|0.070511|0.070078|0.145983|0.500000| |3.102762|3.120222|2.644597|2.515301|2.731538|3.277826|3.579942|4.750696|4.102204|0.115804|5.635454|8.863174|17.735136|8.902979|7.758345|5.037277|3.307719|5.609100|3.869951|2.394540|2.093644|1.827375|1.812319|1.998314|2.362639|3.059861|5.300636|2.625700|3.174052|2.051390|3.510460|1.854861|1.656809|1.570810|1.684702|3.342935|2.421776|0.087888|0.095063|0.073740|0.066524|0.061953|0.115628|0.213339|0.500000| |3.350716|3.330442|2.912359|2.722002|2.824099|3.212420|3.538677|4.275827|3.586474|0.092663|5.018956|5.678694|8.908641|17.703103|12.710448|5.908634|3.115231|5.715973|3.534920|2.261210|1.953436|1.739513|1.721356|1.921818|2.222371|2.651105|4.432568|2.342819|2.784331|1.833070|3.211502|1.645111|1.487263|1.398948|1.477371|2.912716|2.475324|0.102425|0.096640|0.078657|0.074802|0.067748|0.105375|0.124321|0.213598|0.500000| |3.766435|4.722595|4.550762|4.934210|5.759568|6.199753|5.476646|7.706977|6.772549|0.139215|8.880578|5.683905|5.042438|5.917568|12.766041|17.797932|6.459929|13.886940|6.053436|3.678731|2.950825|2.517984|2.384057|2.723177|3.295118|4.044518|6.310910|3.351366|3.709503|2.352538|4.115423|2.032263|1.791988|1.654665|1.758998|3.564246|4.953633|0.106730|0.098845|0.088189|0.106265|0.117723|0.136653|0.124150|0.109087|0.130109|0.500000| |2.422117|2.882966|2.764573|3.140179|4.074100|4.510761|3.561306|8.836732|7.659230|0.239807|4.873875|4.111631|3.188299|2.901055|4.232667|3.901441|9.453488|10.884482|26.006008|8.965067|7.421658|4.691855|4.115403|4.336553|6.217052|6.810541|15.259265|4.602641|5.719327|3.275413|5.141517|2.927357|2.437824|2.319167|2.642322|5.590002|4.579046|0.063204|0.067934|0.061396|0.066607|0.079516|0.097929|0.120204|0.079000|0.069341|0.108911|0.500000| |2.144329|2.552194|2.627058|3.119060|3.856340|3.645709|2.914120|5.698191|4.693084|0.119387|3.726195|3.053896|2.595935|2.562577|3.939029|3.536597|7.380595|13.492227|12.629898|17.586011|8.891706|6.838669|5.701582|6.852955|8.912244|3.854049|6.972764|3.164045|3.899971|2.453931|4.084944|2.223528|1.947863|1.853281|2.025430|4.080786|4.998601|0.057580|0.057962|0.055082|0.064935|0.084223|0.075884|0.082252|0.064144|0.062950|0.109087|0.182826|0.500000| |2.046933|2.420195|2.469217|2.906062|3.594795|3.459558|2.778927|5.568516|4.030920|0.110565|3.093511|2.669836|2.257914|2.163116|3.203140|2.804941|5.048939|7.793374|9.695973|8.841922|17.535806|8.802088|5.480527|4.836137|5.498843|4.374022|8.381505|3.753050|4.967648|3.092722|4.960180|2.849147|2.443265|2.334667|2.606857|5.346639|4.630944|0.053622|0.055954|0.053589|0.061157|0.078298|0.073161|0.075264|0.057168|0.053673|0.082863|0.196483|0.215171|0.500000| |1.888363|2.178187|2.160243|2.446556|2.959279|3.013473|2.517640|5.013782|3.904254|0.115186|3.040075|2.725920|2.294587|2.148809|3.102385|2.678212|4.754634|7.141370|9.723301|8.858665|17.481851|8.847211|6.771651|5.664028|6.805451|3.995189|8.385208|3.315025|4.547425|2.819958|4.438290|2.695361|2.319319|2.286294|2.619719|5.290615|3.485896|0.049771|0.052506|0.049196|0.053868|0.064999|0.068538|0.079024|0.058869|0.053390|0.076430|0.218165|0.174213|0.302818|0.500000| |1.717863|1.981671|2.058308|2.387054|2.767796|2.594548|2.184131|3.898511|2.967606|0.080196|2.494437|2.190507|1.929986|1.896530|2.816956|2.383311|3.757408|6.595914|6.275236|6.786052|8.856411|17.501333|8.853003|6.784137|5.661161|2.868425|5.323437|2.563673|3.382066|2.226199|3.701489|2.105814|1.890314|1.837335|1.999607|3.906953|3.468186|0.046017|0.046576|0.045266|0.052418|0.066577|0.057535|0.060574|0.049293|0.047994|0.071269|0.115981|0.201500|0.214818|0.173755|0.500000| |1.616907|1.842728|1.882285|2.140242|2.472978|2.388997|2.042536|3.660613|2.748830|0.077128|2.298682|2.073773|1.821908|1.757529|2.555816|2.142377|3.289641|5.489440|5.649510|5.495710|8.837779|17.539822|8.805753|5.490132|4.841655|2.822838|5.440659|2.553698|3.518834|2.328335|3.792874|2.269662|2.038357|2.022989|2.238489|4.326456|2.976081|0.043000|0.044343|0.042818|0.048015|0.058966|0.054684|0.058657|0.047143|0.044606|0.062471|0.113469|0.140189|0.212044|0.215103|0.303584|0.500000| |1.471084|1.651994|1.682031|1.881856|2.128554|2.071441|1.811066|3.127638|2.467416|0.068968|2.160227|1.970852|1.767491|1.723199|2.499183|2.055627|2.995506|5.271354|4.860501|4.829521|5.484517|8.821007|17.534968|8.808450|5.486147|2.307728|4.396967|2.059326|2.770955|1.844020|3.054622|1.791371|1.632231|1.624990|1.777335|3.387622|2.481632|0.039776|0.040356|0.038755|0.043326|0.051965|0.048842|0.055140|0.045931|0.044143|0.059756|0.092917|0.127607|0.123105|0.139163|0.215111|0.211497|0.500000| |1.545432|1.735849|1.736804|1.929778|2.220110|2.221444|1.937788|3.469126|2.781996|0.080346|2.382212|2.197097|1.936247|1.847960|2.647062|2.196406|3.352442|5.615582|5.753308|5.643086|6.765233|8.852243|17.495485|8.851201|6.779072|2.612685|5.169438|2.276584|3.103183|2.028805|3.298643|1.983611|1.783508|1.790322|1.998268|3.835582|2.548908|0.041536|0.042833|0.040499|0.044333|0.052350|0.052948|0.062681|0.050464|0.046946|0.062689|0.114188|0.131712|0.139031|0.199107|0.173787|0.214745|0.303323|0.500000| |1.682221|1.915194|1.960122|2.220892|2.542967|2.452125|2.110504|3.690316|3.044513|0.082122|2.685318|2.368454|2.115523|2.100021|3.125067|2.613378|4.005376|7.587284|6.247900|6.786017|5.660081|6.783906|8.849926|17.498877|8.850670|2.582350|4.798129|2.233514|2.880295|1.883557|3.153337|1.774784|1.599876|1.560510|1.696495|3.297784|3.005325|0.045911|0.045796|0.043733|0.050077|0.061157|0.056342|0.064517|0.053861|0.053244|0.077696|0.108577|0.202143|0.126749|0.131163|0.199538|0.139252|0.214718|0.173732|0.500000| |1.568718|1.757000|1.762832|1.951132|2.220710|2.212843|1.945926|3.388146|2.847171|0.079889|2.550184|2.331642|2.091623|2.037313|2.949675|2.424833|3.562874|6.437924|5.611662|5.490123|4.834993|5.490678|8.809430|17.539730|8.829804|2.412861|4.610078|2.076757|2.726210|1.783157|2.957949|1.706460|1.542035|1.524956|1.672346|3.221790|2.517760|0.042842|0.043246|0.040746|0.045151|0.053034|0.053019|0.064733|0.054073|0.051913|0.069691|0.102689|0.140436|0.106552|0.126783|0.139300|0.123118|0.211271|0.214689|0.303681|0.500000| |1.841544|2.091329|2.048148|2.269615|2.690893|2.798163|2.407549|4.596823|4.083911|0.121141|3.402762|3.090627|2.623247|2.455703|3.523882|3.013724|5.285558|8.435986|9.636951|8.876568|6.823158|5.680947|6.784258|8.830195|17.493998|3.319892|6.702314|2.684373|3.511552|2.208846|3.579308|2.091636|1.839611|1.812466|2.033195|4.020930|3.019964|0.049630|0.051403|0.047259|0.051349|0.059955|0.066566|0.088370|0.067070|0.060829|0.084414|0.178783|0.174682|0.140026|0.201560|0.131373|0.127192|0.139207|0.199668|0.173507|0.214081|0.500000| |1.953645|2.237823|2.218768|2.481517|2.932895|2.986466|2.553198|4.740763|4.373873|0.119580|3.811972|3.306240|2.847529|2.764062|4.105788|3.552608|6.270772|11.626926|9.562705|8.867926|5.509398|4.842969|5.485215|8.797023|17.567534|3.195347|6.050765|2.592800|3.264745|2.069381|3.428445|1.920005|1.700039|1.649155|1.814180|3.591411|3.312527|0.053357|0.053855|0.049734|0.055590|0.065852|0.069423|0.089759|0.071096|0.068093|0.102465|0.153190|0.216574|0.123702|0.139965|0.126811|0.106701|0.123037|0.139206|0.214502|0.211503|0.302501|0.500000| |3.495391|4.493358|4.385328|5.060511|6.554149|7.012576|5.491466|9.456345|4.567212|0.118400|3.649187|3.170982|2.667475|2.536725|3.731895|3.267710|4.030720|6.186519|5.420664|3.315844|3.340647|2.711455|2.316684|2.309445|2.662168|8.854891|10.951656|17.601582|12.448863|7.012630|12.348772|4.646225|3.657969|3.030308|3.197858|7.240452|5.986004|0.083476|0.095366|0.092674|0.101011|0.120980|0.135772|0.088745|0.067077|0.062384|0.093843|0.119449|0.091110|0.108613|0.090421|0.074463|0.072744|0.057991|0.062770|0.063211|0.057489|0.072261|0.071173|0.500000| |4.112282|5.054134|4.328219|4.398973|5.266417|6.843753|6.615667|9.423543|4.623671|0.124921|3.920355|3.601536|3.017300|2.782890|3.954429|3.390621|3.685055|5.634008|4.791943|2.872189|2.815645|2.319875|2.060064|2.082969|2.419559|8.886099|11.041668|17.584391|12.422090|6.936194|12.100297|4.627674|3.641039|3.024706|3.199018|7.246342|4.329569|0.094470|0.119530|0.107106|0.099872|0.101912|0.184505|0.103159|0.076688|0.068207|0.092395|0.107264|0.077392|0.086728|0.078609|0.062857|0.062169|0.051731|0.056728|0.056456|0.052899|0.067143|0.065861|0.305329|0.500000| |2.582812|2.974178|2.764347|2.964435|3.568670|4.073293|3.596919|6.805576|4.029167|0.121794|3.197477|3.023214|2.512746|2.271179|3.173649|2.702484|3.546366|5.229831|5.278038|3.235080|3.467631|2.772297|2.415751|2.334391|2.706877|7.756178|15.605536|9.091918|26.046326|9.311411|10.806549|7.481671|4.902269|4.286753|5.190381|14.456317|3.542575|0.063862|0.074580|0.068317|0.067415|0.074346|0.102309|0.091628|0.065517|0.056287|0.073868|0.129789|0.082297|0.107973|0.103694|0.071885|0.076626|0.059800|0.068534|0.061306|0.058909|0.077925|0.070276|0.186874|0.188466|0.500000| |2.017730|2.163466|2.102861|2.162621|2.300429|2.382336|2.305392|3.334279|2.108804|0.059866|1.884005|1.822756|1.647153|1.553394|2.158820|1.733387|1.968890|3.184932|2.798673|1.901648|2.050019|1.838803|1.638196|1.559947|1.683046|2.881903|5.020780|3.574994|6.139829|6.491477|11.703776|8.864906|17.819322|8.429000|5.853324|10.452518|2.264436|0.050315|0.057273|0.057091|0.054796|0.057295|0.063879|0.052967|0.044126|0.040151|0.048173|0.062021|0.051059|0.062708|0.058720|0.049509|0.052632|0.042631|0.045982|0.042086|0.040320|0.047410|0.044432|0.097216|0.096573|0.114438|0.500000| |1.633825|1.735697|1.680362|1.735286|1.865306|1.942755|1.867417|2.808362|1.860860|0.054028|1.667161|1.638925|1.486560|1.390118|1.910941|1.524100|1.767815|2.858154|2.568853|1.779397|1.952672|1.783946|1.616289|1.514339|1.613945|2.407629|4.442070|2.725293|4.625988|4.059648|6.492249|5.850850|8.451749|17.805764|8.823550|10.451458|1.877500|0.041611|0.046701|0.045497|0.043904|0.046220|0.052527|0.048260|0.040290|0.036101|0.042062|0.057326|0.047002|0.058290|0.057364|0.047186|0.051949|0.042290|0.046246|0.040330|0.039549|0.046242|0.042217|0.072372|0.072242|0.096052|0.192244|0.500000| |1.695624|1.828096|1.748064|1.826806|2.027294|2.156800|2.030546|3.273293|2.210368|0.066222|1.931623|1.909549|1.696326|1.557769|2.131351|1.721198|2.100517|3.316372|3.147042|2.159377|2.414859|2.153988|1.955851|1.813368|1.961768|2.900155|5.718308|3.105378|5.492733|4.269249|6.181714|6.043214|5.819464|8.612662|17.833894|16.534038|2.067452|0.043333|0.048836|0.046179|0.044919|0.048094|0.057849|0.057456|0.045956|0.040036|0.047113|0.072468|0.055411|0.071179|0.073878|0.055360|0.062976|0.050314|0.057223|0.047313|0.047267|0.057528|0.050563|0.079272|0.079408|0.127211|0.123061|0.195316|0.500000| |2.990786|3.904621|4.192218|5.665258|8.789388|6.886442|4.616799|9.613703|5.470911|0.128393|4.100450|3.257122|2.724243|2.687958|4.181750|3.857646|6.110912|9.691247|8.130907|5.098193|4.798754|3.730034|3.038421|3.111817|3.654540|6.467061|9.360150|5.777871|6.137244|3.729991|6.401161|3.048044|2.576679|2.304515|2.466487|5.224637|17.594540|0.076314|0.078838|0.077250|0.097045|0.145373|0.109887|0.087261|0.066666|0.065412|0.121058|0.156321|0.153889|0.164701|0.116110|0.107352|0.094399|0.074642|0.078466|0.087908|0.074229|0.092688|0.097313|0.197225|0.131004|0.117585|0.068429|0.057024|0.064318|0.500000| 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