Version2.1 2020-08-14T17:33:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 12-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE NS(=O)(=O)c3ccc(NC(=O)CCN2CCC(Cc1ccccc1)CC2)cc3 304629 CHEMBL182523 RHF 6-31G(d) (6D,7F) NS(=O)(=O)c3ccc(NC(=O)CCN2CCC(Cc1ccccc1)CC2)cc3 C01[X(C21H27N3O3S1)] 159 C1 478 O=C(Nc1ccc(cc1)S(=O)(=O)N)CCN1CCC(CC1)Cc1ccccc1 O=C(Nc1ccc(cc1)S(=O)(=O)N)CCN1CCC(CC1)Cc1ccccc1 N[S](=O)(=O)c1ccc(NC(=O)CCN2CCC(CC2)Cc3ccccc3)cc1 InChIKey=GYMZSAGPGBSTDC-UHFFFAOYSA-N InChI=1S/C21H27N3O3S/c22-28(26,27)20-8-6-19(7-9-20)23-21(25)12-15-24-13-10-18(11-14-24)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,23,25)(H2,22,26,27) InChI=1/C21H27N3O3S/c22-28(26,27)20-8-6-19(7-9-20)23-21(25)12-15-24-13-10-18(11-14-24)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,23,25)(H2,22,26,27)/f/h23H,22H2 NS(=O)(=O)c3ccc(NC(=O)CCN2CCC(Cc1ccccc1)CC2)cc3 C01[X(C21H27N3O3S1)] 159 C01 478 O=C(Nc1ccc(cc1)S(=O)(=O)N)CCN1CCC(CC1)Cc1ccccc1 O=C(N[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N)CCN1CC[C@H](CC1)C[C]1[CH][CH][CH][CH][CH]1 N[S](=O)(=O)[C]1[CH][CH][C]([CH][CH]1)NC(=O)CCN2CCC(CC2)C[C]3[CH][CH][CH][CH][CH]3 InChIKey=GYMZSAGPGBSTDC-UHFFFAOYSA-N InChI=1S/C21H27N3O3S/c22-28(26,27)20-8-6-19(7-9-20)23-21(25)12-15-24-13-10-18(11-14-24)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,23,25)(H2,22,26,27) InChI=1/C21H27N3O3S/c22-28(26,27)20-8-6-19(7-9-20)23-21(25)12-15-24-13-10-18(11-14-24)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,23,25)(H2,22,26,27)/f/h23H,22H2 2510.2182916835 -1596.3550628 1-A 30980.9414 107 371 478 |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| -92.20667 -20.55112 -20.54990 -20.54945 -15.61970 -15.59861 -15.55105 -11.37136 -11.31193 -11.26503 -11.26362 -11.26107 -11.25388 -11.25032 -11.24885 -11.24740 -11.24724 -11.23961 -11.23739 -11.23158 -11.23126 -11.22893 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-0.00092 -0.00153 0.00092 1.00000 -0.00161 0.00153 0.00161 1.00000 1 0.02829 0.00157 0.00153 0.58955 0.03277 0.03182 12.56 16.09 30.71 32.30 45.23 61.67 68.03 74.94 102.47 106.44 143.41 169.62 209.19 214.16 232.77 276.60 326.40 363.42 369.47 376.05 410.06 441.24 504.18 536.93 559.03 584.52 591.92 596.18 657.05 657.41 666.75 674.27 703.78 715.78 749.77 779.55 804.40 836.74 869.08 893.10 922.90 931.13 949.42 980.74 993.70 1058.79 1117.37 1122.35 1152.62 1161.02 1196.62 1236.43 1251.96 1280.32 1284.66 1311.50 1321.14 1340.57 1378.03 1384.34 1404.78 1421.80 1477.51 1503.13 1518.63 1538.08 1557.70 1567.55 1577.41 1581.12 1587.96 1595.75 1610.94 1615.76 1627.93 1664.00 1671.63 1682.27 1705.15 1719.48 1735.16 1752.10 1753.64 1757.57 1793.18 1812.43 1821.92 1831.07 1852.69 1865.68 1873.65 1877.15 1894.79 1897.54 1900.62 1944.85 1957.69 2007.62 2026.98 2041.60 2057.39 2085.34 2094.74 2118.24 2120.37 2130.64 2138.03 2147.57 2176.64 2198.64 2213.37 2240.80 2241.72 2265.13 2296.23 2328.09 2330.60 2337.66 2355.13 2364.71 2371.03 2380.08 2401.97 2404.25 2417.25 2458.27 2546.54 2566.87 2576.27 2593.21 2606.36 2851.39 4458.67 4470.85 4549.84 4564.96 4594.37 4599.50 4609.56 4626.43 4647.02 4661.78 4671.42 4675.38 4685.22 4695.13 4742.82 4813.44 4819.44 4831.14 4837.39 4851.50 4870.89 4895.21 4917.97 4996.86 5403.03 5566.11 5568.47 0.495455 0.520538 0.521482 0.433367 -1595.859608 -1595.834525 -1595.833581 -1595.921696 2.955392D-04 MUNgauss RevisionA2.0 retrievium 14-Aug-2020 DUDE NS(=O)(=O)c3ccc(NC(=O)CCN2CCC(Cc1ccccc1)CC2)cc3 304629 CHEMBL182523 RHF 6-31G(d) (6D,10F) C1 401.177314 |X|Y|Z| 38.270823 23.657862 170.166167 53.609140 23 6 7 21 2 |53.358707| |15.696496|388.023441| |10.571854|94.660718|73.516695| |10.338204|94.567024|13.582539|73.516695| |9.612245|76.943344|13.001492|13.123643|36.858105| |7.738099|49.595272|11.176424|8.789849|13.734039|36.858105| |5.647102|33.679221|7.742385|6.801679|7.921563|13.804957|36.858105| |4.984400|29.874834|6.545848|6.575593|6.867571|7.948128|13.647224|36.858105| |3.957210|22.837494|5.173282|5.218444|4.566856|5.143541|7.732615|13.612928|53.358707| |3.476113|19.557696|4.593939|4.431049|3.672241|4.311802|6.259039|7.606127|18.910565|36.858105| |3.523809|19.598352|4.722347|4.331730|3.620300|4.504419|6.591728|6.512161|11.443346|15.927951|73.516695| |2.928309|16.310965|3.842439|3.804190|2.909397|3.233131|4.204309|5.035989|10.735542|12.543502|14.171103|36.858105| |2.619284|14.345612|3.444609|3.330075|2.470155|2.772646|3.468513|3.792752|6.906849|7.529322|12.169092|12.474084|36.858105| |2.309652|12.627605|3.034688|2.980208|2.121837|2.317148|2.784237|3.057277|5.313590|4.995455|8.037677|7.723009|13.116476|53.358707| |2.111410|11.501126|2.802443|2.709514|1.894622|2.075215|2.439606|2.585144|4.265270|3.899105|6.757024|5.112440|7.900591|17.823402|36.858105| |1.902564|10.360571|2.523269|2.470044|1.680688|1.807761|2.078916|2.213943|3.570258|3.082361|5.256663|3.915125|5.065508|10.549128|12.488751|36.858105| |1.846613|9.964904|2.405870|2.389884|1.609244|1.712458|1.954463|2.099643|3.370482|2.838320|4.768009|3.594940|4.409063|8.844110|7.526061|12.437850|36.858105| |1.680274|9.073084|2.194479|2.193864|1.446436|1.522230|1.709878|1.832319|2.880245|2.352527|3.959950|2.869804|3.299037|5.972207|4.892610|7.525192|12.379078|36.858105| |1.607559|8.614626|2.074521|2.091991|1.363691|1.424435|1.585779|1.699608|2.641226|2.119136|3.564637|2.532453|2.826207|4.839897|3.735664|4.877320|7.410728|12.570944|36.858105| |1.549860|8.241866|1.989100|1.995510|1.296745|1.357883|1.503551|1.593944|2.450272|1.968094|3.359355|2.300703|2.590548|4.276746|3.362329|4.140111|5.825237|7.543058|13.679132|36.858105| |1.482638|7.843686|1.888385|1.906193|1.225809|1.275676|1.401163|1.484065|2.257577|1.787950|3.051768|2.055005|2.260268|3.606208|2.751442|3.210152|4.204073|5.007116|7.881232|13.766910|36.858105| |1.466394|7.767578|1.862289|1.899388|1.211855|1.251209|1.369521|1.461207|2.218041|1.732551|2.928041|1.989417|2.133710|3.378943|2.501202|2.884351|3.703079|4.415057|6.804976|7.932402|13.736977|36.858105| |1.514029|8.071751|1.930486|1.980733|1.265017|1.301672|1.429577|1.539980|2.354482|1.831088|3.057965|2.131273|2.257163|3.632493|2.640808|3.098818|4.023901|4.996869|7.881565|6.898256|7.964432|13.767943|36.858105| |1.585957|8.508340|2.038688|2.081607|1.343554|1.389554|1.539072|1.664043|2.576001|2.026548|3.368573|2.409902|2.586958|4.323011|3.168358|3.912486|5.378364|7.519346|13.711914|7.983377|6.897604|7.931379|13.733415|36.858105| |1.991838|10.759950|2.567617|2.589596|1.758472|1.859871|2.143682|2.360222|3.880875|3.243564|5.239995|4.328035|5.050218|10.530209|6.604108|7.650281|12.442690|7.438800|6.069817|4.777153|3.818948|3.602229|4.066102|5.293185|36.858105| |2.230435|12.032466|2.861143|2.863060|2.003564|2.152037|2.542071|2.816766|4.802703|4.228709|6.725200|6.107121|7.859025|17.825997|7.948915|6.624587|7.544072|4.874012|4.180012|3.667024|3.092458|2.908404|3.142086|3.752522|12.485401|36.858105| |5.404550|33.772831|6.879260|7.935634|7.979590|6.903403|7.906539|13.671092|10.894336|5.144847|7.894717|4.012317|3.106608|3.596654|2.256385|1.990042|1.915501|1.702788|1.597616|1.496105|1.405854|1.398320|1.478944|1.585229|2.160014|2.502542|36.858105| |7.129227|49.640907|8.941425|11.710692|13.762376|7.931993|6.835674|7.900832|7.086023|3.886299|6.402515|3.140364|2.575837|3.038763|1.958440|1.748011|1.685654|1.516869|1.432671|1.352168|1.279007|1.272793|1.338253|1.422839|1.869807|2.127003|13.805613|36.858105| |25.896078|61.282265|13.827538|10.882896|5.502307|4.873230|3.658717|3.185045|3.535528|2.336884|4.268531|1.986199|1.804012|2.174648|1.475176|1.332331|1.290640|1.177764|1.127090|1.090337|1.043870|1.030289|1.060477|1.109406|1.381403|1.539945|3.348248|4.197607|0.500000| |25.907724|60.711845|10.367070|13.329362|5.916101|4.678952|3.657580|3.393037|3.744903|2.405960|4.270790|2.061498|1.840895|2.229677|1.493911|1.354786|1.324379|1.209633|1.163452|1.121995|1.077704|1.069944|1.105063|1.153041|1.433871|1.597546|3.792982|4.960199|0.318227|0.500000| |7.894849|47.303891|12.451649|8.068717|8.918699|17.744493|8.970800|5.655344|5.660892|3.741858|7.248859|2.885124|2.566334|2.939213|1.970359|1.719442|1.623976|1.448220|1.356079|1.300506|1.223027|1.195127|1.236871|1.317392|1.741496|2.002526|4.970006|5.647596|0.148047|0.126966|0.500000| |4.881918|27.870454|6.766040|5.709324|5.648470|8.947175|17.840805|8.891862|9.535971|6.848587|15.208882|4.436751|3.817017|4.049373|2.635978|2.202912|2.046686|1.773173|1.633213|1.554453|1.440490|1.396755|1.451783|1.568996|2.220096|2.664734|5.636671|4.942132|0.091130|0.088201|0.216352|0.500000| |3.684464|21.256934|4.762397|5.029089|4.103777|4.304238|5.750929|9.387859|26.061570|9.458307|10.892223|7.757407|4.816597|5.350337|3.093102|2.649812|2.539082|2.184660|2.011801|1.847641|1.705882|1.691470|1.813014|1.986250|2.991736|3.652253|7.708231|4.949322|0.067106|0.072507|0.098330|0.143315|0.500000| |2.804881|15.906323|3.765960|3.758865|2.812883|3.064495|3.886631|4.704379|9.546593|8.942219|11.150869|17.530503|8.887789|9.748599|4.946604|3.975533|3.560229|2.910722|2.531113|2.260168|2.012250|1.962902|2.130187|2.431827|4.246969|5.479248|3.914503|3.074897|0.052934|0.054928|0.075924|0.111186|0.207562|0.500000| |2.912374|16.026693|3.713751|3.783236|2.842865|3.073165|3.894051|4.808274|9.972868|8.946155|10.852430|17.548069|8.759377|9.332456|4.545785|3.685423|3.599732|2.893402|2.618021|2.372681|2.140946|2.095266|2.256212|2.533066|4.591678|6.573718|4.037050|3.138629|0.054551|0.057652|0.075690|0.110011|0.225709|0.303823|0.500000| |2.661386|14.311096|3.429506|3.297077|2.451890|2.774815|3.452601|3.675717|6.444463|6.837488|12.086917|8.827142|17.457626|12.232540|6.649332|4.475131|4.126588|3.102915|2.737803|2.578476|2.272646|2.128296|2.213018|2.493453|4.659706|7.290699|3.004085|2.524487|0.051016|0.051980|0.072000|0.107033|0.122097|0.173614|0.210008|0.500000| |2.607818|14.396877|3.512035|3.316468|2.467563|2.814614|3.517781|3.700496|6.466018|7.059750|12.984471|8.969186|17.624532|12.530680|7.684255|4.861149|3.967110|3.065365|2.599074|2.401483|2.095711|1.969555|2.071850|2.366790|4.209117|5.728173|2.997815|2.525301|0.050223|0.050483|0.073342|0.110608|0.120972|0.213475|0.174019|0.304292|0.500000| |2.090593|11.260769|2.749194|2.638718|1.843969|2.031418|2.374773|2.472166|4.006073|3.660639|6.570531|4.532952|6.994631|12.257195|17.382261|8.838686|6.743753|4.491302|3.605640|3.411450|2.804331|2.497846|2.568399|3.012430|5.752405|7.073058|2.152421|1.886666|0.040719|0.041069|0.054047|0.071948|0.079547|0.115985|0.114686|0.192116|0.189319|0.500000| |2.138746|11.746808|2.888950|2.755798|1.935545|2.137350|2.516536|2.631356|4.301799|3.966632|7.063093|4.966522|7.361804|12.520108|17.574326|8.881609|5.500993|4.079423|3.178793|2.889057|2.413599|2.215302|2.335281|2.759134|4.934944|5.726499|2.277518|1.984612|0.041624|0.041793|0.056650|0.076310|0.085311|0.138426|0.116692|0.165806|0.241188|0.302043|0.500000| |1.799672|9.774720|2.397120|2.327443|1.569613|1.690469|1.923446|2.016601|3.185232|2.725444|4.759681|3.301985|4.190019|7.654435|8.883016|17.521836|8.800006|6.849665|4.574466|4.085756|3.154546|2.775801|2.912157|3.599338|5.533052|4.944809|1.818592|1.617716|0.035193|0.035555|0.045069|0.056835|0.065016|0.092664|0.085994|0.106725|0.116892|0.216320|0.213897|0.500000| |1.896497|10.419998|2.537713|2.498079|1.691215|1.806994|2.074189|2.229882|3.601185|3.058471|5.127757|3.904237|4.729474|9.509090|8.911322|17.517909|8.843810|6.953441|4.539947|3.711705|2.954922|2.739937|3.023261|3.852518|6.848818|5.781003|2.020731|1.770810|0.036835|0.037532|0.047535|0.060514|0.075139|0.115936|0.101470|0.111600|0.128023|0.173962|0.217887|0.302217|0.500000| |1.826939|9.774856|2.363010|2.334386|1.572234|1.680256|1.911518|2.029732|3.225526|2.727716|4.669558|3.360941|4.202717|7.815260|6.854955|8.921700|17.479973|8.889284|6.895402|6.409501|4.547939|3.793145|3.884908|4.870838|8.926614|6.872692|1.845253|1.634418|0.035562|0.036391|0.044517|0.055935|0.066697|0.089601|0.093805|0.115570|0.105434|0.201202|0.140458|0.215737|0.174314|0.500000| |1.610521|8.692541|2.115489|2.097449|1.377531|1.454099|1.625069|1.721606|2.677169|2.191041|3.747256|2.614442|3.032305|5.304229|4.611783|7.102903|8.876013|17.520826|8.936530|6.982458|4.688799|3.987428|4.267285|5.786898|5.476507|4.084289|1.597038|1.433662|0.031485|0.032138|0.038673|0.047033|0.055841|0.073637|0.071961|0.079758|0.080519|0.120733|0.110984|0.212971|0.179138|0.212358|0.500000| |1.682111|9.144461|2.210122|2.221617|1.458821|1.527137|1.713808|1.850373|2.912973|2.353862|3.918203|2.884721|3.216438|5.798008|4.559742|6.839592|8.850028|17.530132|8.910036|5.613964|4.192988|3.975378|4.758272|7.256812|6.841529|4.563177|1.730994|1.538825|0.032700|0.033659|0.040211|0.049060|0.061954|0.083466|0.080653|0.082011|0.083480|0.111158|0.109645|0.167301|0.207506|0.174224|0.304154|0.500000| |1.551579|8.240040|1.997193|1.985400|1.295896|1.365662|1.513716|1.591121|2.441405|1.981457|3.423608|2.301482|2.648679|4.350138|3.561700|4.377594|5.922331|7.010115|8.904784|17.691500|8.942430|5.647841|4.963154|5.661511|4.516301|3.635269|1.482338|1.342323|0.030395|0.031105|0.036491|0.043780|0.050653|0.062392|0.065054|0.073873|0.068980|0.103457|0.084971|0.125572|0.105024|0.198423|0.203735|0.141665|0.500000| |1.438214|7.574296|1.827153|1.837566|1.178205|1.227677|1.342712|1.411935|2.131653|1.687553|2.905687|1.912888|2.107908|3.295305|2.532266|2.879693|3.617444|4.089621|5.623926|8.930063|17.709194|8.907780|5.655015|4.964161|3.284294|2.784507|1.336924|1.223097|0.028202|0.029040|0.032831|0.038420|0.044471|0.051707|0.055135|0.059537|0.054681|0.072956|0.062345|0.079950|0.073180|0.111531|0.110867|0.096480|0.216245|0.500000| |1.412347|7.454742|1.785943|1.827055|1.156606|1.189796|1.294453|1.377684|2.073801|1.607213|2.722973|1.821586|1.933610|3.000818|2.207402|2.486686|3.079655|3.534227|4.916393|5.641254|8.898420|17.714818|8.907533|5.639274|3.046421|2.555148|1.325724|1.213702|0.027596|0.028697|0.031619|0.036567|0.043897|0.049825|0.053381|0.053873|0.049772|0.061531|0.054951|0.066829|0.065983|0.088010|0.090738|0.090492|0.124196|0.214473|0.500000| |1.490604|7.952364|1.896936|1.961667|1.242448|1.270013|1.388397|1.501149|2.283326|1.753984|2.915832|2.026477|2.103953|3.332171|2.383703|2.740329|3.418032|4.080842|5.625606|4.964487|5.653545|8.917018|17.709021|8.920091|3.574904|2.850675|1.454932|1.319946|0.028974|0.030314|0.033462|0.038926|0.049120|0.056571|0.059906|0.057131|0.053724|0.063993|0.059320|0.071320|0.075633|0.090653|0.098489|0.113207|0.107686|0.124163|0.214583|0.500000| |1.618311|8.735591|2.089813|2.145109|1.383237|1.425052|1.580578|1.722760|2.678290|2.092342|3.441595|2.508942|2.642287|4.438961|3.182281|3.932378|5.156136|6.972748|8.918503|5.661214|4.963377|5.648883|8.931051|17.698963|5.384376|3.789296|1.648848|1.473982|0.031376|0.032692|0.037373|0.044547|0.057894|0.071583|0.073362|0.069456|0.067121|0.081771|0.077797|0.098320|0.112762|0.122554|0.147807|0.221432|0.124237|0.107690|0.124183|0.216049|0.500000| |1.935869|10.375625|2.464650|2.507793|1.683612|1.766466|2.015040|2.217146|3.587918|2.925325|4.742021|3.748927|4.179513|7.651116|4.935023|5.532668|8.794066|6.727775|6.704253|5.342507|4.400680|4.237450|4.828001|6.169164|17.557849|8.886236|2.057030|1.793890|0.037292|0.038923|0.045988|0.057533|0.077198|0.100613|0.114264|0.112515|0.097808|0.128897|0.108402|0.123435|0.139719|0.215640|0.138240|0.167191|0.132982|0.102880|0.098179|0.116056|0.166139|0.500000| |1.990568|10.852961|2.585947|2.629961|1.775746|1.862557|2.142916|2.389667|3.942859|3.226835|5.113468|4.343206|4.719570|9.504844|5.773857|6.855088|8.848008|6.879824|5.520429|4.178051|3.439894|3.376586|3.972932|5.262329|17.510843|8.907956|2.211556|1.906224|0.038265|0.039850|0.048185|0.061020|0.086069|0.125405|0.127840|0.115541|0.111625|0.132640|0.129264|0.139791|0.201276|0.174372|0.141871|0.207550|0.107592|0.082020|0.080086|0.100142|0.163569|0.302210|0.500000| |2.366038|12.771859|3.000669|3.052390|2.149060|2.287064|2.718334|3.099936|5.410009|4.623031|6.990230|6.900567|7.280623|12.465580|5.716452|4.939485|5.513418|4.060851|3.675894|3.238981|2.840677|2.754992|3.006352|3.492355|8.903357|17.581758|2.775395|2.319385|0.045033|0.047283|0.058351|0.077810|0.118055|0.167476|0.240969|0.189229|0.144860|0.144001|0.127949|0.108470|0.129106|0.140959|0.095320|0.109680|0.087319|0.071331|0.068288|0.077672|0.099882|0.215161|0.217605|0.500000| |2.212053|11.783821|2.807231|2.787356|1.949248|2.107014|2.473932|2.683628|4.467105|3.944965|6.541007|5.226127|6.972888|12.288798|7.097837|5.782612|6.770990|4.480611|4.026734|3.752338|3.192046|2.930227|3.052953|3.533918|8.835066|17.380242|2.374956|2.044216|0.042574|0.044004|0.054949|0.072745|0.092131|0.124995|0.154990|0.213927|0.147032|0.210400|0.144412|0.129480|0.133019|0.202310|0.107799|0.111309|0.106011|0.081373|0.071954|0.076240|0.095415|0.215884|0.173855|0.302596|0.500000| |4.601870|27.907627|5.790861|6.967742|5.669346|4.966725|5.626979|8.887844|10.041520|4.823674|7.099118|4.065847|3.089197|3.664852|2.270599|2.027947|1.971008|1.760484|1.657478|1.540892|1.450383|1.453246|1.548596|1.660292|2.254534|2.588076|17.703757|8.963810|0.080542|0.092488|0.107796|0.123871|0.236821|0.112842|0.117929|0.081944|0.081243|0.059621|0.063055|0.051115|0.057617|0.052336|0.045537|0.050036|0.042109|0.038130|0.038259|0.042533|0.048296|0.059891|0.064882|0.081055|0.067333|0.500000| |6.842474|47.307575|8.316676|13.656892|8.925187|5.646438|4.936078|5.629332|5.745076|3.273029|5.375520|2.771722|2.304683|2.779782|1.802081|1.631433|1.584526|1.440511|1.369159|1.291999|1.228571|1.229357|1.294362|1.369215|1.756687|1.967888|8.927386|17.760981|0.112223|0.140622|0.124246|0.107400|0.116979|0.076330|0.078010|0.062644|0.062502|0.048180|0.050524|0.042036|0.046063|0.042618|0.037812|0.040718|0.035494|0.032639|0.032679|0.035649|0.039477|0.047132|0.049976|0.059624|0.052471|0.215972|0.500000| 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