Version2.0 2019-11-11T06:15:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(C)c(=O)[nH]nc1Cc5ccc(F)c(C(=O)N4CCN(C(=O)C3(NCC2CC2)CCC3)CC4)c5 599565 CHEMBL598957 RHF 6-31G(d) (6D,7F) Cc1c(C)c(=O)[nH]nc1Cc5ccc(F)c(C(=O)N4CCN(C(=O)C3(NCC2CC2)CCC3)CC4)c5 C01[X(C27H34F1N5O3)] 204 C1 608 O=C(c1cc(ccc1F)Cc1n[nH]c(=O)c(c1C)C)N1CCN(CC1)C(=O)C1(NCC2CC2)CCC1 O=C(c1cc(ccc1F)Cc1n[nH]c(=O)c(c1C)C)N1CCN(CC1)C(=O)C1(NCC2CC2)CCC1 CC1=C(C)C(=NNC1=O)Cc2ccc(F)c(c2)C(=O)N3CCN(CC3)C(=O)C4(CCC4)NCC5CC5 InChIKey=FEUHRBBJDRJRJT-UHFFFAOYSA-N InChI=1S/C27H34FN5O3/c1-17-18(2)24(34)31-30-23(17)15-20-6-7-22(28)21(14-20)25(35)32-10-12-33(13-11-32)26(36)27(8-3-9-27)29-16-19-4-5-19/h6-7,14,19,29H,3-5,8-13,15-16H2,1-2H3,(H,31,34) InChI=1/C27H34FN5O3/c1-17-18(2)24(34)31-30-23(17)15-20-6-7-22(28)21(14-20)25(35)32-10-12-33(13-11-32)26(36)27(8-3-9-27)29-16-19-4-5-19/h6-7,14,19,29H,3-5,8-13,15-16H2,1-2H3,(H,31,34)/f/h31H Cc1c(C)c(=O)[nH]nc1Cc5ccc(F)c(C(=O)N4CCN(C(=O)C3(NCC2CC2)CCC3)CC4)c5 C01[X(C27H34F1N5O3)] 204 C01 608 O=C(c1cc(ccc1F)Cc1n[nH]c(=O)c(c1C)C)N1CCN(CC1)C(=O)C1(NCC2CC2)CCC1 O=C(c1cc(ccc1F)Cc1n[nH]c(=O)c(c1C)C)N1CCN(CC1)C(=O)C1(NCC2CC2)CCC1 CC1=C(C)C(=NNC1=O)Cc2ccc(F)c(c2)C(=O)N3CCN(CC3)C(=O)C4(CCC4)NCC5CC5 InChIKey=FEUHRBBJDRJRJT-UHFFFAOYSA-N InChI=1S/C27H34FN5O3/c1-17-18(2)24(34)31-30-23(17)15-20-6-7-22(28)21(14-20)25(35)32-10-12-33(13-11-32)26(36)27(8-3-9-27)29-16-19-4-5-19/h6-7,14,19,29H,3-5,8-13,15-16H2,1-2H3,(H,31,34) InChI=1/C27H34FN5O3/c1-17-18(2)24(34)31-30-23(17)15-20-6-7-22(28)21(14-20)25(35)32-10-12-33(13-11-32)26(36)27(8-3-9-27)29-16-19-4-5-19/h6-7,14,19,29H,3-5,8-13,15-16H2,1-2H3,(H,31,34)/f/h31H 3917.2767693924 -1638.4489332 1-A 21401.7792 132 476 608 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0.4540 0.8539 0.1537 0.8541 0.5436 0.3961 0.6754 0.8238 0.5517 0.4609 0.4461 0.6339 0.4012 0.8539 0.6429 0.3828 0.3606 0.4275 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 60 61 62 63 64 65 66 67 68 69 70 6 6 6 6 6 8 7 1 7 6 6 6 6 6 6 9 6 6 8 7 6 6 7 6 8 6 7 6 6 6 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 16718.8989 24487.9606 35854.6757 0.99990 0.01041 -0.00943 -0.01051 0.99989 -0.01064 0.00932 0.01074 0.99990 1 0.00518 0.00354 0.00242 0.10795 0.07370 0.05033 8.13 10.65 20.00 23.29 32.78 54.08 60.40 73.75 78.25 101.27 111.31 112.23 123.78 140.15 150.03 177.54 185.17 214.59 217.95 230.20 241.91 255.04 289.00 314.19 333.37 344.73 402.93 407.32 423.47 444.06 450.61 481.30 510.86 513.67 521.19 540.68 548.90 559.35 578.72 623.59 627.00 633.89 683.98 729.23 745.42 746.62 757.70 766.30 774.11 787.47 799.63 831.64 902.05 934.09 951.27 954.80 1028.69 1048.62 1058.04 1093.06 1096.17 1102.96 1150.96 1190.29 1216.15 1217.47 1220.77 1224.63 1238.05 1244.85 1272.55 1274.14 1305.69 1316.53 1322.65 1340.69 1358.77 1374.15 1384.86 1430.80 1444.59 1464.98 1476.61 1493.99 1499.97 1507.20 1517.25 1523.40 1531.87 1562.33 1585.61 1611.46 1629.83 1646.02 1672.19 1681.67 1695.04 1697.95 1700.33 1708.46 1729.58 1744.05 1745.39 1750.65 1776.86 1800.06 1819.31 1829.60 1832.50 1857.17 1889.09 1894.08 1894.16 1899.40 1901.23 1918.13 1921.89 1941.70 1942.50 1963.53 1969.80 1990.58 2001.03 2002.41 2005.23 2025.63 2029.21 2041.29 2049.92 2055.96 2078.16 2095.33 2140.48 2160.40 2164.74 2200.70 2211.53 2225.15 2246.78 2252.82 2265.89 2268.89 2270.28 2283.42 2298.96 2321.45 2326.72 2331.85 2335.25 2341.83 2352.69 2353.12 2359.12 2367.84 2368.24 2372.79 2377.29 2384.33 2387.32 2394.34 2397.00 2407.17 2428.93 2572.68 2586.09 2625.87 2699.88 2758.72 2791.13 2799.15 4527.16 4569.46 4585.57 4593.44 4610.94 4618.47 4624.96 4634.06 4636.68 4667.71 4672.76 4696.50 4699.42 4702.23 4702.85 4711.86 4743.77 4744.69 4762.54 4785.24 4795.08 4796.90 4799.16 4809.37 4817.69 4836.99 4839.33 4846.55 4847.39 4855.89 4880.31 4895.18 5440.50 5585.29 0.631557 0.664311 0.665255 0.559584 -1637.817376 -1637.784623 -1637.783678 -1637.889349 3.544223D-04 MUNgauss RevisionA1.9 retrievium 11-Nov-2019 DUDE Cc1c(C)c(=O)[nH]nc1Cc5ccc(F)c(C(=O)N4CCN(C(=O)C3(NCC2CC2)CCC3)CC4)c5 599565 CHEMBL598957 RHF 6-31G(d) (6D,10F) C1 495.264530 |X|Y|Z| 87.549557 109.763599 41.094792 73.366820 30 6 7 25 5 |36.858105| |12.615503|36.858105| |7.611774|14.166634|36.858105| |6.304433|7.517737|12.619999|36.858105| |4.954891|7.851176|12.936054|7.529986|36.858105| |3.908065|5.367235|8.008991|6.680517|15.811634|73.516695| |4.553079|7.114993|8.012742|5.093949|14.013913|15.177928|53.358707| |3.678947|5.186943|5.796013|4.197947|9.442686|13.912022|26.042839|0.500000| |5.098482|7.952752|6.814614|4.427555|7.868837|9.700980|19.406235|0.267760|53.358707| |7.443673|12.982872|7.856178|4.935444|6.881033|8.533603|11.601714|0.170443|20.428688|36.858105| |6.465940|7.367270|5.002822|3.721048|4.442580|6.172147|7.141598|0.121053|10.825332|12.535262|36.858105| |4.276168|4.862618|3.822395|2.973944|3.731853|5.429075|6.317995|0.115903|9.355369|7.443616|12.600023|36.858105| 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|1.619106|1.804176|1.839403|1.681508|2.043511|3.649355|3.015594|0.066276|2.932067|1.947280|1.844009|1.948083|1.821721|1.855965|2.038208|4.552513|2.225772|2.429232|3.934427|3.994715|3.149023|3.818126|6.795718|7.387381|12.067253|12.307830|10.501806|5.992882|4.307223|3.337940|3.391351|8.857663|12.370272|36.858105| |2.397641|2.772498|2.679043|2.272383|2.984498|4.921117|4.842442|0.105005|5.134507|3.271565|3.154858|3.551432|3.101065|3.141399|3.692816|7.706142|4.555933|5.163796|7.232015|10.609052|6.639256|7.849528|17.891507|7.591160|9.448219|6.335343|7.859678|4.681078|3.816756|3.239005|3.827842|5.833419|4.044122|4.233895|36.858105| |2.424779|2.787856|2.618800|2.195327|2.879853|4.658889|4.796138|0.103274|5.384153|3.420521|3.460241|4.222354|3.760443|4.006700|5.085084|10.590890|6.518948|7.658728|9.501346|17.839764|7.834282|6.650250|10.603209|5.179510|7.299537|4.457099|5.457765|3.407103|2.935078|2.593773|2.992751|4.584958|3.359343|3.370904|12.498123|36.858105| |3.595178|4.042629|3.351376|2.678327|3.362450|5.030202|5.655589|0.107930|7.739643|5.659395|7.561870|13.735494|7.994563|6.898692|8.027388|11.951840|13.734045|7.553160|10.122047|8.223264|4.218123|3.648496|4.823734|2.848241|4.482257|2.608593|3.551642|2.430948|2.302686|2.189905|2.530554|2.607220|2.156934|2.163307|4.415877|5.566637|36.858105| |17.654583|8.839287|7.240701|7.453750|4.649006|6.845193|5.472701|0.092443|5.708753|5.486140|4.739795|3.448541|2.999371|2.469953|2.299362|4.460140|2.471049|2.179049|3.573190|2.893799|1.879553|1.884833|2.615924|1.762374|2.891916|1.751963|2.591319|1.884753|2.002003|2.042435|2.349646|1.720573|1.548667|1.544008|2.183509|2.175737|3.004343|0.500000| |17.554564|8.846227|5.917645|5.050346|4.266222|6.133447|5.565032|0.093982|6.395781|6.687027|6.619407|4.392994|3.553491|2.860369|2.698546|5.116046|2.997536|2.612867|4.271091|3.414097|2.183847|2.170582|2.956657|1.949479|3.192238|1.895010|2.780360|2.028031|2.113531|2.158618|2.489923|1.841438|1.633888|1.647061|2.485063|2.505467|3.829201|0.302639|0.500000| |17.552669|8.847938|5.929478|5.066224|4.271430|6.142587|5.564575|0.094064|6.387775|6.671056|6.588460|4.384207|3.835712|3.001749|2.695209|5.111800|2.848797|2.418361|3.963870|3.115651|1.984944|1.938158|2.665131|1.767410|2.891732|1.738454|2.519318|1.804889|1.869446|1.874181|2.145781|1.728140|1.539794|1.527537|2.243701|2.317891|3.538241|0.302630|0.302643|0.500000| |6.305506|6.619061|8.839750|17.558784|5.848949|9.413729|5.914314|0.101731|5.375308|4.482302|3.547996|2.837194|2.591342|2.200189|2.044562|4.047244|2.149689|1.915576|3.119295|2.602176|1.704681|1.727346|2.463458|1.693765|2.765802|1.735018|2.596258|1.863916|2.019075|2.025832|2.349651|1.732525|1.578118|1.545093|2.059748|2.022169|2.512951|0.221375|0.134664|0.150974|0.500000| |4.675835|5.624929|8.948541|17.656491|7.512495|14.316182|6.674992|0.117522|5.480634|4.188328|3.213392|2.681610|2.432932|2.111268|2.001972|3.995987|2.125742|1.924364|3.104511|2.678203|1.763732|1.819866|2.648843|1.843376|2.988118|1.927053|2.950598|2.112440|2.347549|2.336010|2.776035|1.922473|1.756652|1.710750|2.225976|2.126111|2.457069|0.145722|0.110150|0.110454|0.301567|0.500000| |6.295697|6.613805|8.839617|17.557869|5.850572|9.417056|5.916460|0.101659|5.375212|4.480478|3.545827|2.834751|2.494825|2.139606|2.043345|4.044628|2.208630|2.005802|3.258928|2.766234|1.824455|1.884908|2.687341|1.851815|3.024966|1.890874|2.886222|2.114188|2.340104|2.403390|2.829994|1.846916|1.680301|1.669512|2.240907|2.141643|2.607267|0.221494|0.150111|0.134819|0.301608|0.301554|0.500000| |6.742805|6.741882|4.655294|3.620526|4.009661|5.701959|6.110186|0.105386|8.350755|8.942863|17.547804|8.937080|7.200526|4.754168|4.014037|7.085548|4.216922|3.263671|5.227742|4.004633|2.433395|2.284082|3.112923|2.000712|3.235501|1.934032|2.736869|1.919059|1.924564|1.884447|2.167044|1.946644|1.693755|1.673974|2.687410|2.942023|5.679998|0.136891|0.180796|0.222938|0.100041|0.086216|0.094976|0.500000| |6.714498|6.725627|4.648935|3.615062|4.007494|5.699016|6.113188|0.105340|8.360912|8.939331|17.542094|8.931684|5.714378|4.240804|4.017360|7.088331|4.731923|3.783404|5.981232|4.693505|2.824270|2.688207|3.601937|2.274250|3.669272|2.155123|3.078790|2.191628|2.191840|2.171428|2.519808|2.112129|1.820932|1.834023|3.129113|3.351149|7.132074|0.136615|0.223116|0.178969|0.094877|0.086109|0.099824|0.305859|0.500000| |3.729832|4.094118|3.384956|2.736618|3.321054|4.982843|5.388224|0.101696|7.067127|5.429777|6.987539|8.912584|17.711942|8.962024|5.688442|9.630720|4.947598|3.556477|5.646441|4.216339|2.513911|2.266120|3.117814|1.994813|3.209464|1.935527|2.655763|1.812347|1.775370|1.694893|1.928926|2.016270|1.740858|1.686995|2.700570|3.155490|5.666353|0.086734|0.099133|0.115083|0.075723|0.069346|0.070478|0.215993|0.144775|0.500000| |2.567902|2.792084|2.472586|2.084938|2.539491|4.006244|4.101751|0.082883|4.952100|3.479301|4.074758|5.612479|8.852676|17.743227|8.981763|16.772200|5.648809|4.113646|6.654498|4.666408|2.782482|2.385097|3.249698|2.065087|3.334565|1.977163|2.613820|1.759844|1.677321|1.579909|1.767162|2.101364|1.805085|1.738941|2.754905|3.431446|4.967641|0.062624|0.070509|0.075552|0.056986|0.054547|0.054652|0.112278|0.097440|0.214128|0.500000| |1.888996|2.057300|1.939716|1.702201|2.054188|3.408512|3.200299|0.067405|3.493109|2.380501|2.496969|2.929248|2.734516|3.011899|3.811924|9.116528|4.448626|6.469488|10.725015|12.388678|17.510967|8.864496|9.389151|5.109352|8.384231|3.856521|4.394526|2.945021|2.465832|2.248247|2.411724|3.718673|3.009905|3.228200|5.768065|6.975102|3.660520|0.048065|0.054888|0.050814|0.044303|0.045904|0.046894|0.061916|0.069633|0.065960|0.075686|0.500000| |2.018774|2.154710|1.993275|1.751909|2.056240|3.367949|3.167044|0.064960|3.525555|2.484878|2.688239|3.129220|2.823398|3.031517|3.833997|8.702618|4.776909|7.608531|14.543737|12.523678|17.681784|8.874214|7.670640|4.247308|7.257726|3.251252|3.967233|2.801527|2.404779|2.273078|2.424879|3.002616|2.511717|2.736275|4.978931|5.694260|4.044619|0.051098|0.059880|0.054196|0.045635|0.046662|0.048838|0.066308|0.077426|0.067665|0.074756|0.301828|0.500000| |1.845941|1.995773|1.912242|1.708499|2.012690|3.382660|3.043399|0.063565|3.225164|2.231043|2.276459|2.508941|2.267822|2.357663|2.785667|6.252224|3.292029|4.238470|7.148979|7.687781|8.878934|17.700028|12.537659|7.652867|15.011263|4.733104|5.394274|3.906041|3.070829|2.824874|2.916660|3.868791|3.260443|3.904841|5.705573|4.984907|3.047130|0.047655|0.054210|0.048710|0.043986|0.046328|0.047890|0.056347|0.065268|0.056058|0.059414|0.217261|0.209887|0.500000| |2.196499|2.384644|2.250165|1.980186|2.343648|3.862085|3.569016|0.073170|3.858229|2.695659|2.765713|3.024614|2.614047|2.640974|3.123859|6.656143|3.926567|5.050185|8.101500|9.450994|8.884919|17.497143|12.401641|6.349781|10.479283|4.394151|5.587760|4.145321|3.384630|3.188037|3.424658|3.615571|2.976451|3.428555|6.988738|5.782672|3.817970|0.056073|0.065593|0.057214|0.050484|0.053072|0.055936|0.066798|0.081119|0.063811|0.064882|0.173996|0.217831|0.301639|0.500000| |2.224290|2.589773|2.684757|2.371033|3.101084|5.485155|4.672003|0.103931|4.400903|2.823105|2.542375|2.621603|2.341955|2.289488|2.486597|5.244121|2.832292|2.957997|4.552293|4.960178|3.504989|4.306739|8.261381|6.661094|8.828452|9.311191|25.927355|9.403671|7.339852|4.911998|6.326011|7.138441|5.450170|5.745173|6.803846|4.515407|2.926747|0.058324|0.062838|0.056702|0.058502|0.067076|0.065348|0.062008|0.070240|0.059731|0.057845|0.091384|0.083438|0.106717|0.117779|0.500000| |1.769486|1.955704|2.010475|1.867389|2.192509|3.921031|3.132217|0.066863|3.019116|2.053716|1.922789|1.960102|1.780411|1.759340|1.908455|4.135281|2.137709|2.308669|3.761076|3.735158|2.903937|3.707720|6.102903|5.953229|10.453037|7.060554|12.521562|17.588142|8.917424|6.224716|5.487619|4.665132|4.793324|6.707520|3.938671|3.010423|2.170900|0.047358|0.050633|0.045491|0.046964|0.052780|0.052719|0.048205|0.054403|0.046003|0.045240|0.077094|0.072701|0.103670|0.102931|0.182172|0.500000| |2.039440|2.262551|2.289217|2.087674|2.471818|4.306497|3.577643|0.075180|3.516838|2.403643|2.259793|2.301125|2.037248|1.994435|2.188233|4.659145|2.528621|2.764156|4.440761|4.581070|3.540506|4.819868|7.927053|7.011700|11.397769|6.722940|12.156829|17.448154|8.919857|7.018621|6.929655|4.460138|4.003241|5.110409|5.096951|3.645060|2.609793|0.053987|0.059226|0.051923|0.052041|0.058094|0.059429|0.055671|0.064877|0.051996|0.050464|0.089569|0.088016|0.128003|0.143119|0.215075|0.304046|0.500000| |1.948573|2.191395|2.345957|2.219308|2.615906|4.863935|3.595221|0.076992|3.298364|2.231310|2.005976|1.979739|1.793446|1.730430|1.824382|3.877776|2.021522|2.082324|3.359172|3.258556|2.379558|2.829652|4.570133|3.816989|6.205736|4.678487|9.562785|8.745421|17.689677|8.666454|8.669186|3.860158|3.896148|4.261645|3.385609|2.682542|2.120520|0.052956|0.054879|0.049373|0.054773|0.064423|0.062685|0.050443|0.056319|0.047067|0.044568|0.062743|0.060258|0.075356|0.080649|0.179571|0.209573|0.172866|0.500000| |1.971065|2.141844|2.272005|2.221556|2.398024|4.378390|3.191374|0.065530|2.993000|2.113677|1.927439|1.855818|1.663390|1.585644|1.662099|3.509530|1.852926|1.908844|3.140154|2.909760|2.140343|2.525017|3.770895|2.993414|5.139626|3.210441|5.596800|5.454677|8.591608|17.711368|8.577367|2.692842|2.657512|2.959004|2.757369|2.275971|1.976888|0.054440|0.056474|0.049453|0.054874|0.063635|0.065095|0.048832|0.055493|0.043892|0.040773|0.055458|0.055986|0.067936|0.075146|0.111484|0.140194|0.141660|0.212923|0.500000| |2.033562|2.197738|2.261246|2.153173|2.360904|4.173333|3.235174|0.066061|3.129495|2.219388|2.067886|2.016966|1.785022|1.710888|1.824727|3.851171|2.074355|2.189311|3.606179|3.395470|2.550757|3.138014|4.595767|3.649620|6.380769|3.662488|6.275386|6.834687|8.594333|17.695962|8.593722|2.908427|2.782790|3.247171|3.238924|2.603240|2.205329|0.055238|0.059369|0.051103|0.053417|0.060213|0.063150|0.051794|0.060360|0.046473|0.043614|0.064850|0.066852|0.084700|0.096453|0.123503|0.168988|0.210792|0.171525|0.293259|0.500000| |2.647646|3.011726|3.130058|2.840633|3.370761|5.829531|4.696732|0.095339|4.466336|3.087916|2.752616|2.647496|2.271392|2.130012|2.264506|4.642446|2.633983|2.697976|4.266315|4.249015|2.985301|3.614343|5.600450|4.071698|6.391630|4.184859|7.725579|6.821409|8.569982|8.604296|17.678142|3.447737|3.040056|3.330626|4.466978|3.414049|2.908785|0.070526|0.077062|0.064968|0.068151|0.078999|0.082636|0.066775|0.079972|0.058579|0.053315|0.074201|0.076064|0.090363|0.112524|0.182664|0.140052|0.205926|0.171515|0.171209|0.211677|0.500000| |2.520499|2.882134|3.171344|3.014155|3.498129|6.464183|4.586055|0.094185|4.109282|2.829872|2.450963|2.316399|2.039490|1.905147|1.977191|4.082666|2.223347|2.221434|3.551260|3.399627|2.380202|2.755650|4.273536|3.214780|5.144210|3.547682|6.561775|5.445272|8.559399|8.568196|17.709573|3.107735|2.880757|3.021918|3.410565|2.765055|2.441544|0.069062|0.071197|0.061818|0.071468|0.087582|0.087439|0.060900|0.069729|0.053758|0.048440|0.061019|0.061109|0.070765|0.082084|0.149749|0.122147|0.140068|0.212810|0.209821|0.171019|0.293008|0.500000| |1.965768|2.286413|2.352527|2.069233|2.759711|4.918020|4.300613|0.100459|4.085894|2.553402|2.339999|2.516094|2.363256|2.401469|2.615721|5.716904|2.834476|2.933502|4.500314|4.866792|3.401913|3.775293|7.190747|5.664538|7.650683|8.439587|9.909513|4.682239|3.937420|3.050082|3.527446|17.571341|8.469049|6.195255|5.961356|4.752425|2.768450|0.051295|0.054551|0.051509|0.052359|0.058729|0.055572|0.058115|0.062577|0.060379|0.061960|0.095739|0.079413|0.095653|0.094900|0.215718|0.116577|0.115985|0.109153|0.075238|0.079393|0.099992|0.092237|0.500000| |1.778456|2.018370|2.026611|1.796019|2.293125|4.011916|3.554216|0.080220|3.528643|2.267063|2.161913|2.381713|2.265046|2.374677|2.667182|6.058485|2.875529|3.134584|4.883528|5.329150|3.982683|4.366811|8.398815|6.888622|9.346488|8.649356|7.697979|4.105132|3.288835|2.674219|2.935631|17.558477|8.681537|7.025728|5.888421|5.041310|2.682248|0.046270|0.049887|0.047128|0.046067|0.050303|0.048629|0.054061|0.058320|0.057306|0.061665|0.119615|0.090655|0.114448|0.102317|0.150805|0.108473|0.107711|0.088819|0.066153|0.072313|0.084586|0.075242|0.299638|0.500000| |1.633754|1.848254|1.927547|1.767686|2.202019|4.042730|3.231943|0.072960|3.036108|1.980007|1.829086|1.913128|1.812840|1.832368|1.962128|4.350071|2.094880|2.188144|3.510358|3.486291|2.582630|2.926425|5.066877|4.520557|7.023182|6.995530|8.760484|4.687951|4.009195|3.060353|3.257762|8.714562|17.611994|8.684198|3.647182|3.039425|2.063371|0.043517|0.045379|0.042852|0.045064|0.050827|0.048051|0.046428|0.049682|0.047266|0.048132|0.073249|0.063041|0.079428|0.075254|0.152325|0.132610|0.107409|0.121048|0.078053|0.078621|0.086165|0.085489|0.214579|0.173438|0.500000| |1.512462|1.692594|1.734150|1.584979|1.950706|3.519395|2.896951|0.064880|2.794671|1.834434|1.733339|1.848625|1.776710|1.834889|1.990007|4.522208|2.098280|2.232003|3.617461|3.557295|2.702630|2.987514|5.076411|4.520403|7.268526|6.162314|6.476794|3.724180|3.111545|2.523112|2.640532|8.479902|17.586683|8.468469|3.496504|3.063341|2.010102|0.040077|0.042154|0.040100|0.040867|0.045073|0.043055|0.044219|0.047011|0.046110|0.048590|0.079613|0.065691|0.082981|0.074274|0.116544|0.107374|0.091850|0.089403|0.064474|0.067141|0.072109|0.068873|0.180016|0.213942|0.300121|0.500000| |1.534370|1.693767|1.709801|1.564838|1.877776|3.327004|2.775838|0.060538|2.738578|1.834059|1.762946|1.878536|1.767436|1.819836|2.015204|4.564693|2.191540|2.433698|3.995370|3.995199|3.258788|3.923964|6.680472|7.234620|13.446743|8.713500|7.704741|4.842071|3.597033|2.942349|2.946289|7.045087|8.684941|17.628569|3.960166|3.279760|2.097632|0.040578|0.043506|0.040446|0.040207|0.043963|0.043214|0.044631|0.048818|0.045364|0.047538|0.095170|0.078972|0.116340|0.095395|0.126855|0.151109|0.123871|0.097268|0.073090|0.081535|0.081727|0.073221|0.140839|0.184768|0.173043|0.213368|0.500000| |1.570470|1.739408|1.784899|1.651700|1.970634|3.547301|2.858412|0.062305|2.758321|1.850624|1.746009|1.818796|1.695869|1.712046|1.862115|4.134223|2.032784|2.200585|3.597810|3.553814|2.791694|3.388820|5.728468|5.910420|10.454108|8.477810|9.866598|6.529534|4.740703|3.645729|3.542219|6.193172|8.449897|17.620291|3.644660|2.929650|2.002187|0.041901|0.044413|0.041020|0.042111|0.046869|0.045825|0.044209|0.048515|0.043908|0.044627|0.078191|0.068905|0.097104|0.087515|0.146998|0.232454|0.146767|0.133491|0.090628|0.097905|0.093676|0.087203|0.137343|0.140610|0.212743|0.179516|0.300933|0.500000| |2.339768|2.749109|2.726795|2.315985|3.139939|5.285259|5.123971|0.115699|5.188768|3.208441|2.986471|3.301234|2.951492|2.975432|3.380682|7.111591|3.951664|4.200510|6.056927|7.722128|4.977060|5.674364|12.417947|7.149290|8.777460|7.422625|9.330679|4.940549|4.061739|3.294926|3.972675|7.670786|4.807401|4.722462|17.711292|8.971950|3.884795|0.059674|0.066218|0.060772|0.058086|0.063959|0.062775|0.071455|0.080713|0.072710|0.073689|0.129822|0.109457|0.127756|0.142500|0.240503|0.114440|0.138499|0.102855|0.078458|0.088705|0.124130|0.100116|0.241431|0.200522|0.121227|0.111996|0.117295|0.110636|0.500000| |2.685751|3.127960|2.999064|2.515824|3.303008|5.349483|5.338288|0.112246|5.718838|3.693299|3.518505|3.837164|3.206958|3.128417|3.600998|7.248131|4.584037|4.996238|7.052306|9.467000|5.780961|6.982552|12.404443|6.191680|8.357064|5.346698|7.537602|4.851237|4.131513|3.597420|4.419523|4.702428|3.516642|3.734039|17.486008|8.892656|4.816619|0.067550|0.078332|0.068640|0.062566|0.067836|0.069619|0.081496|0.099092|0.077630|0.075259|0.132691|0.130214|0.142980|0.205459|0.189496|0.109527|0.152830|0.098848|0.083721|0.100375|0.152827|0.107958|0.136838|0.125782|0.091397|0.084524|0.095972|0.093360|0.301813|0.500000| |2.709905|3.197040|2.967615|2.421931|3.305334|5.227040|5.765267|0.124523|6.756160|4.104197|4.113561|5.232071|4.587748|4.793132|5.968539|11.423065|7.716592|7.208399|8.840919|12.413081|5.667827|4.974756|7.699547|4.189065|6.065832|3.867881|5.002035|3.139007|2.816062|2.507455|2.949888|4.087621|3.072635|3.000936|8.912757|17.666927|6.909400|0.066590|0.076971|0.072120|0.061882|0.064761|0.064813|0.095006|0.106819|0.104361|0.110313|0.142465|0.127614|0.109434|0.129849|0.117988|0.076618|0.091747|0.072233|0.061677|0.069017|0.093469|0.077468|0.124029|0.120563|0.079398|0.078156|0.079850|0.073795|0.215116|0.218550|0.500000| 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