Version2.1 2021-01-06T11:54:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(OCCCc1ccc(Cl)cc1)cc23)cn4 203883 CHEMBL340557 RHF 6-31G(d) (6D,7F) NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(OCCCc1ccc(Cl)cc1)cc23)cn4 C01[X(C25H27Cl1N4O3)] 174 C1 553 OC[C@H](n1cnc(c1)C(=O)N)CCn1ccc2c1cc(OCCCc1ccc(cc1)Cl)cc2 OC[C@H](n1cnc(c1)C(=O)N)CCn1ccc2c1cc(OCCCc1ccc(cc1)Cl)cc2 NC(=O)c1cn(cn1)[C@@H](CO)CCn2ccc3ccc(OCCCc4ccc(Cl)cc4)cc23 InChIKey=FAIYGIXXKACNGL-OAQYLSRUSA-N InChI=1S/C25H27ClN4O3/c26-20-6-3-18(4-7-20)2-1-13-33-22-8-5-19-9-11-29(24(19)14-22)12-10-21(16-31)30-15-23(25(27)32)28-17-30/h3-9,11,14-15,17,21,31H,1-2,10,12-13,16H2,(H2,27,32)/t21-/m1/s1 InChI=1/C25H27ClN4O3/c26-20-6-3-18(4-7-20)2-1-13-33-22-8-5-19-9-11-29(24(19)14-22)12-10-21(16-31)30-15-23(25(27)32)28-17-30/h3-9,11,14-15,17,21,31H,1-2,10,12-13,16H2,(H2,27,32)/t21-/m1/s1/f/h27H2 NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(OCCCc1ccc(Cl)cc1)cc23)cn4 C01[X(C25H27Cl1N4O3)] 174 C01 553 OC[C@H](n1cnc(c1)C(=O)N)CCn1ccc2c1cc(OCCCc1ccc(cc1)Cl)cc2 OC[C@H]([N]1[CH]=[N][C](=C1)C(=O)N)CCN1C=[CH][C]2[C]1[CH][C]([CH][CH]2)OCCC[C]1[CH][CH][C]([CH][CH]1)Cl NC(=O)c1cn(cn1)[C@@H](CO)CCN2C=C[C]3[CH][CH][C]([CH][C]23)OCCC[C]4[CH][CH][C](Cl)[CH][CH]4 InChIKey=FAIYGIXXKACNGL-OAQYLSRUSA-N InChI=1S/C25H27ClN4O3/c26-20-6-3-18(4-7-20)2-1-13-33-22-8-5-19-9-11-29(24(19)14-22)12-10-21(16-31)30-15-23(25(27)32)28-17-30/h3-9,11,14-15,17,21,31H,1-2,10,12-13,16H2,(H2,27,32)/t21-/m1/s1 InChI=1/C25H27ClN4O3/c26-20-6-3-18(4-7-20)2-1-13-33-22-8-5-19-9-11-29(24(19)14-22)12-10-21(16-31)30-15-23(25(27)32)28-17-30/h3-9,11,14-15,17,21,31H,1-2,10,12-13,16H2,(H2,27,32)/t21-/m1/s1/f/h27H2 3179.4354574936 -1864.3032822 1-A 28099.5729 123 430 553 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7.4782 7.5161 7.7297 7.7105 7.8667 9.1010 10.3241 10.6615 0.5847 0.0996 0.2911 0.8764 0.4663 0.3357 2.0781 0.6583 0.4415 0.0017 0.3775 2.0142 0.4989 2.1652 1.4186 0.6768 24.8523 2.6106 11.6468 10.3537 0.5545 69.5849 170.5410 101.9662 41.3644 11.5894 4.6838 32.9560 3.3896 4.1380 2.9917 5.8300 4.4548 5.2950 2.8486 0.0005 4.4828 1.1537 8.7567 2.5279 1.4403 2.4221 7.3826 15.7223 1.7966 2.1850 3.7235 15.2204 0.1405 9.0967 8.0108 16.5832 12.7877 42.0311 29.8611 15.7091 12.2158 29.7729 0.9875 3.1407 2.7160 32.5399 20.7165 16.4178 5.5232 37.6845 0.2674 35.4364 9.6406 17.8852 28.4589 4.2187 11.3642 1.6288 13.7362 0.5612 31.0888 0.8066 1.7899 0.0176 33.0729 15.4475 18.5209 15.2938 1.2386 1.5595 16.6570 10.5683 9.0954 2.7946 58.2386 19.7226 40.4127 118.7207 13.2714 21.4468 9.3289 23.6185 0.0428 0.3774 6.0469 1.4602 75.4427 5.3836 63.8238 28.4270 268.8098 11.9894 100.0668 310.9502 2.3804 20.8277 92.0788 21.7431 0.6057 16.5477 0.0057 45.9363 123.5216 0.9769 18.5379 8.5175 38.0936 23.9006 13.2239 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0.3331 0.7930 0.3536 0.6066 0.4308 0.7977 0.2693 0.3443 0.8070 0.2948 0.3961 0.4386 0.2841 0.7732 0.4741 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 7 6 8 6 6 7 6 1 6 8 6 6 7 6 6 6 6 6 6 8 6 6 6 6 6 6 6 17 6 6 6 6 6 7 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 14.00307 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14972.7457 39558.5603 50655.5128 0.99995 0.00911 0.00415 -0.00912 0.99996 0.00258 -0.00412 -0.00262 0.99999 1 0.00578 0.00219 0.00171 0.12054 0.04562 0.03563 10.00 13.89 21.18 27.59 31.23 40.71 51.16 68.14 75.04 110.90 127.09 137.93 168.52 176.86 202.41 209.37 225.18 254.20 255.63 270.58 289.11 338.31 369.48 377.35 391.24 393.45 416.50 428.27 458.82 477.40 525.54 568.03 579.77 581.77 637.92 660.09 665.81 701.50 704.04 710.68 752.89 775.59 836.64 842.17 880.52 910.66 943.00 982.73 1004.17 1008.22 1027.22 1036.30 1045.23 1071.53 1109.18 1134.68 1154.49 1158.57 1176.65 1191.01 1223.52 1239.65 1261.64 1270.57 1298.73 1302.40 1351.87 1357.09 1358.26 1373.06 1378.86 1420.48 1428.56 1436.35 1474.71 1535.63 1544.54 1556.96 1564.33 1578.89 1579.17 1599.55 1601.96 1624.85 1658.22 1674.06 1676.10 1695.23 1709.84 1719.24 1733.52 1736.36 1740.15 1752.10 1763.55 1781.90 1814.31 1850.76 1858.50 1877.15 1902.05 1903.67 1907.84 1927.53 1933.45 1970.64 1978.79 1983.29 1997.71 2014.59 2026.51 2047.41 2048.82 2075.65 2082.21 2087.03 2104.56 2107.47 2156.64 2159.76 2174.71 2194.15 2218.48 2244.51 2256.20 2256.55 2266.93 2286.41 2323.52 2339.35 2357.48 2362.06 2375.46 2379.92 2395.17 2408.91 2415.19 2422.60 2455.49 2483.90 2512.18 2541.85 2548.59 2581.20 2601.59 2626.81 2809.85 4591.59 4591.92 4609.33 4640.04 4645.07 4645.99 4651.16 4651.99 4658.27 4697.77 4710.15 4720.21 4749.11 4834.04 4835.05 4839.40 4879.83 4890.25 4891.71 4903.52 4922.15 4954.49 4966.66 5009.96 5530.09 5723.21 5924.70 0.525879 0.555202 0.556146 0.457199 -1863.777403 -1863.748080 -1863.747136 -1863.846084 3.318732D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(OCCCc1ccc(Cl)cc1)cc23)cn4 203883 CHEMBL340557 RHF 6-31G(d) (6D,10F) C1 466.177169 |X|Y|Z| 84.023013 140.741236 35.093903 74.590542 27 6 7 8 23 3 1 |53.358707| |19.265407|36.858105| |11.521784|15.825559|73.516695| |10.895315|12.865043|14.430866|36.858105| |7.075907|7.536493|11.636034|14.079879|36.858105| |5.742209|5.270255|8.044056|8.774832|13.961449|53.358707| |4.349408|3.819818|6.245463|5.300630|7.557339|17.740418|36.858105| |4.165809|3.741867|6.406832|4.933271|7.405481|12.678145|17.588924|0.500000| |3.897139|3.309740|5.445826|4.339712|5.519851|10.609170|12.466871|0.250116|36.858105| |3.253180|2.723571|4.615830|3.367158|4.162919|7.123901|8.072992|0.208440|13.616500|73.516695| |3.811700|3.201934|5.232321|4.200476|5.236775|10.435902|12.450659|0.247003|7.487959|11.618344|36.858105| |3.828814|3.223302|5.345055|4.082659|4.965584|8.481915|7.451391|0.193279|4.868702|7.957674|12.438537|36.858105| |3.294542|2.671371|4.447961|3.221596|3.651632|5.928930|4.963276|0.129280|3.798257|6.537114|7.698273|13.193855|53.358707| |2.826594|2.277834|3.870743|2.661580|3.007474|4.705543|4.031043|0.110071|3.305975|6.044154|5.680468|7.591441|18.775344|36.858105| |2.582361|2.037968|3.450805|2.338004|2.557078|3.947791|3.248914|0.087240|2.791550|5.075665|4.331852|5.250108|11.561548|14.170524|36.858105| |2.755860|2.143975|3.568466|2.471883|2.635570|4.107893|3.245172|0.084359|2.777097|4.859451|4.333052|5.221595|11.547344|8.526956|13.204230|36.858105| |2.584859|1.970413|3.267762|2.231837|2.316110|3.553686|2.724110|0.070577|2.405559|4.177018|3.438426|3.904780|7.305900|5.275288|7.286547|13.701344|36.858105| |2.748608|2.060370|3.370307|2.328979|2.356222|3.609260|2.671872|0.068214|2.368611|4.010119|3.286225|3.652429|6.311296|4.173065|5.000982|7.939460|13.811262|36.858105| |3.217690|2.405452|3.860951|2.770323|2.762995|4.292801|3.078624|0.076973|2.668410|4.380266|3.797952|4.245334|7.013098|4.184847|4.542293|6.845507|7.894227|13.570590|36.858105| |3.404551|2.473332|3.912236|2.808556|2.698311|4.121720|2.842681|0.070847|2.511465|4.050612|3.317796|3.567480|5.391462|3.281132|3.440247|4.606697|5.188031|7.841563|14.071880|73.516695| |3.001223|2.148763|3.439296|2.370920|2.267235|3.387903|2.357565|0.059689|2.139251|3.502777|2.682179|2.840422|4.273177|2.745044|2.942074|3.784804|4.511169|6.696481|7.956524|24.160046|36.858105| |3.156013|2.198192|3.486916|2.381018|2.215945|3.254687|2.210863|0.056042|2.031360|3.288141|2.425087|2.521302|3.628457|2.334662|2.431584|2.973840|3.339214|4.394742|5.219417|14.374016|12.539233|36.858105| |2.724405|1.892726|3.047130|2.011425|1.883794|2.731635|1.879806|0.048241|1.754827|2.880288|2.039255|2.108392|3.037986|2.013349|2.116381|2.520224|2.857881|3.597727|3.878863|9.067363|7.519564|12.411342|36.858105| |2.731685|1.863788|2.998200|1.946494|1.798467|2.572603|1.752018|0.045130|1.651355|2.699165|1.858601|1.902509|2.680601|1.781091|1.842650|2.140095|2.353697|2.836731|3.085714|6.920778|4.902452|7.507760|12.585111|36.858105| |2.750036|1.859070|3.007252|1.904846|1.748371|2.459149|1.663650|0.043249|1.559656|2.549668|1.746710|1.806804|2.525218|1.682254|1.728844|1.984247|2.154076|2.545057|2.765344|6.032368|4.049004|5.668267|7.538648|13.707486|36.858105| |2.675882|1.789679|2.905375|1.807873|1.650375|2.299245|1.551171|0.040484|1.467053|2.397963|1.605464|1.647022|2.273814|1.522078|1.551252|1.752437|1.873858|2.163660|2.343355|4.965794|3.174747|4.161137|5.003680|7.876011|13.759869|36.858105| |2.591835|1.731104|2.805161|1.754938|1.602729|2.243226|1.517126|0.039459|1.452916|2.374135|1.561640|1.578715|2.169032|1.455144|1.479284|1.662076|1.769437|2.028817|2.193377|4.610650|2.910332|3.755543|4.434406|6.846432|7.982390|13.784034|36.858105| |2.425168|1.612905|2.635505|1.612155|1.472005|2.039360|1.380682|0.036141|1.332990|2.184528|1.403601|1.412086|1.923096|1.298982|1.312238|1.452587|1.527968|1.717023|1.843685|3.770093|2.307472|2.816720|3.153446|4.207580|4.768922|7.031621|10.916441|448.794386| |2.574788|1.733408|2.795484|1.785375|1.639054|2.325141|1.580973|0.040816|1.524299|2.490312|1.637266|1.638302|2.260440|1.514666|1.545403|1.746330|1.870303|2.161286|2.336373|4.956507|3.171320|4.151996|5.003310|7.875931|6.890497|7.929006|13.786000|56.452069|36.858105| |2.641491|1.796722|2.886811|1.878812|1.735056|2.490686|1.700296|0.043651|1.628407|2.660611|1.787581|1.795431|2.507126|1.672370|1.720854|1.975507|2.148774|2.541297|2.754063|6.016100|4.042151|5.645797|7.538131|13.709590|7.992838|6.890686|7.982569|38.283923|13.758078|36.858105| |3.578501|2.751086|4.395176|3.284308|3.365347|5.402289|3.897438|0.095853|3.203849|5.179646|5.112288|6.100927|10.359038|5.300410|5.263491|7.786114|6.775951|7.856635|13.795342|14.651046|5.264813|4.102472|3.151856|2.656010|2.439837|2.125154|2.004731|13.811720|2.114135|2.423394|36.858105| |3.231366|2.541907|4.166684|3.020587|3.244363|5.209931|4.059366|0.102632|3.292887|5.551549|5.752059|7.581723|18.902184|8.549009|8.341708|13.567183|7.925744|6.914700|8.024604|9.452807|3.997173|3.208468|2.620864|2.248009|2.089362|1.848400|1.752975|12.281161|1.839221|2.076281|13.691641|36.858105| |6.396712|5.381623|7.602184|9.013786|8.760341|19.094730|7.525108|0.158288|6.000119|7.551892|6.124716|5.182482|5.464840|3.165863|2.768586|3.001884|2.677480|2.818830|3.465231|6.168475|2.809488|2.753400|2.262764|2.138650|2.026912|1.889658|1.851022|13.384910|1.932267|2.079362|4.286526|3.824483|36.858105| |9.251110|7.577005|9.417702|13.906440|8.536106|11.780993|5.275233|0.125203|4.466639|6.033202|4.441722|4.147999|4.579222|2.727652|2.434008|2.644415|2.415744|2.578129|3.152712|5.827610|2.714800|2.753869|2.273849|2.193904|2.113728|1.991301|1.944673|14.149302|2.004182|2.129058|3.734432|3.278467|14.789231|53.358707| |26.090492|9.422796|13.557081|5.776885|4.219765|4.748825|2.764272|0.074683|2.511569|3.810922|2.458184|2.490373|2.967812|1.899952|1.749297|1.857816|1.755485|1.862605|2.150530|4.048775|2.043656|2.161931|1.896997|1.921596|1.959010|1.928072|1.864434|14.186584|1.831245|1.858450|2.354375|2.144471|3.775093|6.830980|0.500000| |26.091345|9.321236|10.807846|7.549460|4.914494|5.830200|3.225003|0.083531|2.912067|4.285684|2.875237|2.855215|3.377812|2.111350|1.943378|2.102356|1.987357|2.141903|2.540728|4.874730|2.406819|2.569891|2.191172|2.206758|2.207379|2.143293|2.084393|15.516627|2.082552|2.141719|2.805947|2.477833|5.145127|10.731806|0.307177|0.500000| |6.103926|6.449912|11.706004|8.635268|17.836459|12.104712|6.746818|0.217032|5.082826|7.286754|4.753802|4.663017|4.705021|2.939914|2.477762|2.491594|2.178985|2.181254|2.500917|4.290084|2.058211|2.000782|1.725317|1.648434|1.611410|1.526305|1.480045|10.985696|1.506804|1.588708|3.012163|3.000311|5.955973|7.908187|0.106520|0.113815|0.500000| |4.122502|3.551085|5.899140|4.599245|5.858909|9.965399|8.891972|0.215558|17.537957|16.445137|5.490639|4.059953|4.383763|2.840967|2.437420|2.430782|2.141690|2.127267|2.390534|4.076032|1.978592|1.909724|1.662679|1.583672|1.506680|1.429521|1.419482|10.545835|1.481740|1.567693|2.814563|2.843878|5.676328|6.166016|0.073821|0.084414|0.153177|0.500000| |3.852761|3.166457|5.089304|4.136030|4.846458|9.405913|8.827360|0.174937|17.509751|16.440429|6.864731|4.492342|5.013623|3.177927|2.759226|2.815265|2.478501|2.477413|2.813653|4.760410|2.276569|2.168437|1.863963|1.752417|1.638659|1.538842|1.533534|11.245280|1.623558|1.741239|3.338316|3.336936|6.332317|6.240441|0.068794|0.081895|0.118730|0.300827|0.500000| |3.041419|2.508280|4.259889|3.031478|3.612009|5.948903|5.946161|0.154689|9.820730|35.768380|5.050352|3.686619|4.298991|2.971936|2.568973|2.471825|2.166254|2.090240|2.262593|3.760661|1.854165|1.752889|1.549151|1.459580|1.376915|1.301022|1.295359|9.613514|1.361925|1.449123|2.614417|2.766145|3.747636|4.192132|0.056089|0.062758|0.098680|0.226848|0.228185|0.500000| |3.314745|2.752983|4.594567|3.456347|4.224377|7.643860|8.952115|0.212462|7.090048|13.522617|17.595542|8.869171|9.505358|6.016160|4.521248|4.239121|3.344292|3.094542|3.412941|5.258837|2.457591|2.211499|1.893523|1.725775|1.619742|1.493130|1.457579|10.566158|1.530871|1.667870|4.363048|5.169612|4.654716|4.887189|0.060362|0.069036|0.111844|0.142955|0.177553|0.159378|0.500000| |3.819374|3.112915|4.969096|4.082079|4.722549|9.466946|8.821933|0.173907|6.726976|10.020838|17.546848|8.852815|9.607996|5.148953|4.250958|4.552759|3.710493|3.654777|4.356951|6.779037|3.015538|2.707518|2.241381|2.026836|1.879381|1.716930|1.676731|11.993657|1.775739|1.956691|5.929851|6.181816|6.642088|6.327919|0.068153|0.081963|0.114364|0.139808|0.201388|0.129438|0.304222|0.500000| |4.419844|3.748083|6.084580|4.851035|5.739525|9.459858|6.804698|0.173865|4.473825|6.931326|8.782877|17.604547|12.579986|5.755836|4.458556|4.756229|3.754639|3.687955|4.503786|6.937204|3.040468|2.733522|2.248712|2.035290|1.945698|1.769330|1.684822|12.051312|1.738685|1.905509|6.640907|7.058676|6.008964|6.710526|0.078754|0.091803|0.143156|0.108262|0.116933|0.091439|0.173401|0.208836|0.500000| |3.653188|3.126913|5.362723|3.838443|4.817998|7.537979|6.788556|0.207627|4.562228|7.826375|8.830653|17.567569|12.618446|7.204415|4.849612|4.462902|3.412297|3.140913|3.507192|5.356644|2.481821|2.231815|1.903109|1.734146|1.663304|1.528020|1.463918|10.608411|1.508891|1.638933|4.660995|5.729412|4.391811|5.017986|0.066812|0.074089|0.135287|0.109087|0.111710|0.100441|0.213564|0.173625|0.304299|0.500000| |2.737748|2.230616|3.847538|2.589635|2.985831|4.596101|4.059402|0.116067|3.355264|6.357006|5.437585|6.903046|12.194130|17.782860|8.705693|5.792172|4.096781|3.380226|3.407375|4.969864|2.386226|2.077822|1.814758|1.627622|1.547491|1.413402|1.355832|9.805156|1.406159|1.538098|4.182690|5.890642|2.994835|3.530037|0.051321|0.056212|0.083206|0.080519|0.087096|0.086279|0.169789|0.129090|0.143837|0.212255|0.500000| |2.336585|1.834833|3.132225|2.073244|2.255186|3.425053|2.809500|0.076449|2.484108|4.592269|3.576453|4.131052|7.915717|8.826387|17.789398|8.438815|6.204103|4.322294|3.787371|5.305243|2.647042|2.210519|1.965535|1.719111|1.617152|1.457103|1.391909|9.961017|1.452336|1.610721|4.127748|5.731781|2.403999|2.917114|0.044321|0.048681|0.061312|0.061004|0.068137|0.065554|0.105785|0.097265|0.099821|0.110558|0.198905|0.500000| |2.335824|1.775501|2.969712|1.985042|2.059561|3.120076|2.404323|0.063068|2.164003|3.813103|2.960171|3.293257|5.904224|4.568899|6.454749|8.876144|17.706149|8.958785|5.626646|7.443785|3.912750|2.983445|2.656394|2.202279|2.022351|1.768448|1.673495|11.666303|1.766775|2.019914|4.900687|5.624866|2.333289|2.894870|0.044415|0.049655|0.054381|0.053956|0.061722|0.055482|0.081768|0.087289|0.087345|0.082624|0.103199|0.174732|0.500000| |2.558828|1.895446|3.108844|2.109208|2.110211|3.187717|2.342214|0.060166|2.117495|3.595969|2.793143|3.033518|5.007100|3.415108|4.040761|5.659324|8.984827|17.769976|8.834976|12.525594|7.465916|4.690721|4.016192|3.057686|2.705067|2.269312|2.121418|14.274636|2.272188|2.709986|5.613044|4.977746|2.503571|3.172081|0.048566|0.055472|0.054470|0.053441|0.061698|0.052647|0.073766|0.085674|0.085465|0.074170|0.079639|0.102251|0.217544|0.500000| |2.831660|2.036053|3.298341|2.216692|2.133532|3.141109|2.200213|0.056541|1.984905|3.284134|2.500140|2.710744|4.135271|2.708984|2.948950|3.778654|4.633874|6.801766|7.100120|16.531313|17.529621|8.835019|6.848966|4.545567|3.965135|3.089766|2.764780|17.760541|2.930062|3.645798|4.824016|3.848589|2.546333|3.373325|0.054051|0.062274|0.054465|0.051186|0.057876|0.048239|0.064155|0.076315|0.080438|0.066822|0.065468|0.074520|0.114243|0.226268|0.500000| |2.751033|1.980973|3.188505|2.193540|2.122268|3.200719|2.270441|0.057366|2.096789|3.470221|2.598906|2.691553|4.090465|2.685107|2.925602|3.744566|4.604568|6.775894|7.021229|16.523865|17.526934|8.839542|6.849233|4.547763|3.649567|2.932642|2.766175|17.768585|3.089993|3.964497|4.760553|3.804167|2.633910|3.410966|0.052125|0.061041|0.053777|0.053632|0.062468|0.051368|0.067275|0.081767|0.078062|0.065513|0.064927|0.074018|0.113880|0.229256|0.301060|0.500000| |3.308167|2.290158|3.593503|2.507134|2.315312|3.438983|2.319765|0.058102|2.157095|3.456686|2.523490|2.555561|3.613682|2.307974|2.372603|2.873001|3.149274|4.038135|4.905865|13.140854|8.928051|17.553309|8.811626|6.863223|5.072108|3.990248|3.810038|23.117695|4.400781|5.999268|4.044274|3.153701|2.977454|4.043739|0.062430|0.075909|0.057478|0.056355|0.064870|0.051374|0.063662|0.079493|0.076790|0.062422|0.057326|0.059728|0.077912|0.115953|0.173981|0.212870|0.500000| |3.451323|2.376575|3.752704|2.542526|2.330565|3.367021|2.246165|0.057266|2.037227|3.274668|2.434054|2.572390|3.644789|2.323179|2.385011|2.888341|3.158480|4.043524|4.933385|13.152111|8.930346|17.555566|8.810390|6.856739|6.031972|4.412459|3.807029|23.103175|3.975862|5.045325|4.083797|3.179165|2.854771|3.983740|0.065816|0.078337|0.058329|0.053571|0.059823|0.048277|0.061031|0.074514|0.079050|0.063553|0.057699|0.059989|0.078022|0.115551|0.212703|0.174048|0.303670|0.500000| |2.592087|1.811450|2.943187|1.911273|1.801608|2.592201|1.793595|0.046443|1.663761|2.750450|1.951564|2.048804|2.979717|1.994314|2.113996|2.511938|2.881100|3.604152|3.754769|8.395922|6.906131|8.836074|17.531548|8.922476|7.137988|4.727100|3.991157|23.567057|4.218609|5.682349|3.040245|2.570587|2.114358|2.893325|0.050437|0.057272|0.046211|0.043807|0.048630|0.041010|0.050545|0.058887|0.060634|0.051773|0.049938|0.054882|0.075294|0.113996|0.206503|0.170486|0.173293|0.211038|0.500000| |2.529345|1.772087|2.864216|1.895907|1.794437|2.624500|1.830411|0.046887|1.727111|2.855693|1.996886|2.040501|2.963223|1.985119|2.105963|2.502700|2.875478|3.602397|3.744081|8.395714|6.910245|8.834684|17.531399|8.923237|5.674379|4.215564|3.991386|23.568074|4.731937|7.154707|3.024550|2.557735|2.162571|2.915659|0.048856|0.056291|0.045784|0.045288|0.051224|0.042858|0.052013|0.061257|0.059601|0.051162|0.049706|0.054699|0.075234|0.114471|0.170708|0.206660|0.210883|0.173271|0.303954|0.500000| |2.759873|1.875834|3.049442|1.915222|1.763508|2.467743|1.670530|0.043651|1.550864|2.541414|1.761514|1.848596|2.597454|1.731784|1.784546|2.052790|2.235106|2.643518|2.859897|6.193414|4.159882|5.563125|6.988313|8.909004|17.702605|8.964283|5.674797|31.634500|4.960007|5.664347|2.513865|2.155573|2.016872|2.863856|0.054736|0.061048|0.045326|0.041554|0.044952|0.037968|0.045321|0.052310|0.055531|0.047408|0.044168|0.046365|0.058295|0.078139|0.118709|0.101205|0.130115|0.175099|0.213335|0.143661|0.500000| |2.630785|1.754731|2.868213|1.750431|1.596469|2.201716|1.483623|0.038973|1.399938|2.292534|1.527242|1.575317|2.166668|1.455462|1.478561|1.657131|1.759988|2.008223|2.165985|4.507899|2.823427|3.548025|4.081781|5.617247|8.897632|17.744992|8.928610|53.750664|5.646764|4.963347|1.988732|1.746452|1.794407|2.590706|0.053202|0.058032|0.041237|0.038048|0.040527|0.034536|0.039491|0.044995|0.047077|0.040880|0.037714|0.038675|0.046277|0.058147|0.077738|0.072163|0.093723|0.106913|0.112001|0.097047|0.215801|0.500000| |2.467028|1.663709|2.688140|1.714671|1.578423|2.242429|1.530672|0.039500|1.491423|2.440925|1.576643|1.561859|2.146269|1.444028|1.469618|1.648009|1.754779|2.004864|2.156237|4.495600|2.819163|3.537992|4.081449|5.617219|4.963234|5.646701|8.929343|53.755063|17.744784|8.896742|1.972794|1.732788|1.860396|2.617980|0.048774|0.055339|0.040365|0.040391|0.044268|0.037273|0.041133|0.047501|0.045772|0.040049|0.037400|0.038471|0.046208|0.058258|0.072091|0.077726|0.106487|0.093326|0.097135|0.112147|0.107680|0.124291|0.500000| 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