Version2.2 2021-02-11T14:41:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 06-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)NC(=O)[C@@H](c1c(cc(cc1O)O)O)N(C)C(=O)CCC2CCCCC2 C36525837 RHF 6-31G(d) (6D,7F) CC(C)(C)NC(=O)[C@@H](c1c(cc(cc1O)O)O)N(C)C(=O)CCC2CCCCC2 C01[X(C22H34N2O5)] 183 C1 503 CN([C@H](c1c(O)cc(cc1O)O)C(=O)NC(C)(C)C)C(=O)CCC1CCCCC1 CN([C@H](c1c(O)cc(cc1O)O)C(=O)NC(C)(C)C)C(=O)CCC1CCCCC1 CN([C@@H](C(=O)NC(C)(C)C)c1c(O)cc(O)cc1O)C(=O)CCC2CCCCC2 InChIKey=NHIFJYLUAOEVEA-HXUWFJFHSA-N InChI=1S/C22H34N2O5/c1-22(2,3)23-21(29)20(19-16(26)12-15(25)13-17(19)27)24(4)18(28)11-10-14-8-6-5-7-9-14/h12-14,20,25-27H,5-11H2,1-4H3,(H,23,29)/t20-/m1/s1 InChI=1/C22H34N2O5/c1-22(2,3)23-21(29)20(19-16(26)12-15(25)13-17(19)27)24(4)18(28)11-10-14-8-6-5-7-9-14/h12-14,20,25-27H,5-11H2,1-4H3,(H,23,29)/t20-/m1/s1/f/h23H CC(C)(C)NC(=O)[C@@H](c1c(cc(cc1O)O)O)N(C)C(=O)CCC2CCCCC2 C01[X(C22H34N2O5)] 183 C01 503 CN([C@H](c1c(O)cc(cc1O)O)C(=O)NC(C)(C)C)C(=O)CCC1CCCCC1 CC([NH][C]([O])[C@@H]([C]1[C]([CH][C]([CH][C]1O)O)O)[N]([C](=O)CCC1CCCCC1)C)(C)C CN([C@@H]([C]([O])NC(C)(C)C)[C]1[C](O)[CH][C](O)[CH][C]1O)C(=O)CCC2CCCCC2 InChIKey=NHIFJYLUAOEVEA-HXUWFJFHSA-N InChI=1S/C22H34N2O5/c1-22(2,3)23-21(29)20(19-16(26)12-15(25)13-17(19)27)24(4)18(28)11-10-14-8-6-5-7-9-14/h12-14,20,25-27H,5-11H2,1-4H3,(H,23,29)/t20-/m1/s1 InChI=1/C22H34N2O5/c1-22(2,3)23-21(29)20(19-16(26)12-15(25)13-17(19)27)24(4)18(28)11-10-14-8-6-5-7-9-14/h12-14,20,25-27H,5-11H2,1-4H3,(H,23,29)/t20-/m1/s1/f/h23H 2913.3639224093 -1336.1521836 1-A 17229.8744 110 393 503 |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| -20.59030 -20.57149 -20.56752 -20.54970 -20.54392 -15.60773 -15.60494 -11.37255 -11.36649 -11.30453 -11.30429 -11.30088 -11.29582 -11.29181 -11.26416 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|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|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| 9.2767 15.0591 19.8534 33.8976 44.8746 51.6435 63.5136 83.6691 87.8103 119.9690 126.3291 127.6177 133.6267 159.9702 168.7089 176.7250 197.7547 223.7745 239.8735 242.1505 245.1714 249.0155 264.2530 280.2458 292.7531 303.6293 315.5261 316.6209 349.1603 353.9568 367.4100 376.6403 380.4909 386.2329 413.6710 427.0721 434.0672 464.1166 472.8903 480.3452 486.5258 502.6060 507.3426 515.5354 551.9530 575.3071 593.8865 630.4415 640.5427 645.2148 676.7616 690.8829 698.2972 704.5611 724.1793 752.1994 781.8771 815.1138 824.6822 846.9933 862.3268 867.9938 897.4469 903.8224 908.1184 913.2783 932.3989 940.4708 960.2006 967.4192 1004.5479 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MUNgauss RevisionA2.1 retrievium 11-Feb-2021 DUDE CC(C)(C)NC(=O)[C@@H](c1c(cc(cc1O)O)O)N(C)C(=O)CCC2CCCCC2 C36525837 RHF 6-31G(d) (6D,10F) C1 406.246772 |X|Y|Z| 65.002959 108.603074 34.782835
62.620050 17 6 7 16 1
|36.858105| |12.427992|36.858105| |7.542476|12.428628|36.858105| |7.603550|12.436079|7.603194|36.858105| |7.706727|12.890092|7.711152|7.936929|53.358707| |6.152341|7.575193|6.129448|5.142261|19.412686|36.858105| |6.142853|6.601707|6.145277|4.401059|11.560604|15.681725|73.516695| |4.249936|4.947608|4.235247|4.013341|10.722334|12.410312|14.031638|36.858105| |4.091242|4.953036|4.095931|4.325335|10.911301|9.129225|10.550696|17.805662|0.500000| |3.746905|3.927369|3.347907|3.313631|7.385683|7.344774|10.735781|12.477069|0.253823|36.858105| |3.594530|3.521163|3.088646|2.927420|6.054031|5.955274|10.405835|7.259366|0.155412|13.517500|36.858105| |3.019977|2.890416|2.556156|2.504136|4.707033|4.209061|7.404297|4.908119|0.117404|7.809808|13.747986|36.858105| |2.709804|2.639093|2.315153|2.374081|4.291049|3.641616|6.108541|4.396757|0.113088|6.779926|7.959036|13.798753|36.858105| |2.759672|2.781563|2.405655|2.552554|4.663036|3.872687|6.138141|5.012550|0.137101|7.797979|6.864965|7.931665|13.764477|36.858105| |3.175340|3.327369|2.832433|3.002798|5.957321|5.102074|7.555437|7.620445|0.212879|13.535715|7.951653|6.890928|7.976090|13.766152|36.858105| |2.993073|3.264240|2.778401|3.086968|5.843492|4.616349|6.629829|6.722849|0.229986|7.879468|5.208392|4.636894|5.321162|8.267296|14.144482|73.516695| |2.343535|2.256732|2.007862|2.066623|3.540366|2.914034|4.990252|3.355092|0.088206|4.585568|5.286842|8.170963|14.161073|7.988741|5.244351|7.222816|73.516695| |3.800386|3.632270|3.314406|2.906804|5.971383|6.085870|12.645004|6.204432|0.130790|7.849811|14.212049|8.306156|5.334276|4.633895|5.207366|7.009034|7.324735|73.516695| |3.440012|4.047366|3.856490|3.385909|7.685348|7.759789|11.308902|12.942253|0.261906|7.507568|5.557959|4.087092|3.698534|4.109564|5.624771|9.494328|5.241485|9.285916|53.358707| |3.189272|3.588049|3.633301|2.946187|6.189309|6.261230|11.329652|7.503541|0.157081|5.848284|5.292940|3.958773|3.413166|3.532828|4.393002|7.046384|4.968511|10.095350|17.747889|36.858105| |2.940991|3.498276|3.360814|3.131113|6.322292|5.420489|7.991471|7.892534|0.222826|5.599558|4.234192|3.406120|3.275466|3.776385|5.024939|9.633232|4.779787|6.887335|19.145917|7.715639|36.858105| |2.880600|3.434541|3.172673|3.221393|6.219109|4.916802|7.008790|7.100577|0.246076|5.388704|3.938911|3.279125|3.297324|3.993710|5.414364|11.957601|4.828034|6.157738|11.547663|5.322504|15.679808|73.516695| |2.483254|2.902387|2.933731|2.639558|4.847820|4.021514|6.451560|4.994804|0.136392|4.009822|3.357437|2.829379|2.719159|3.019580|3.693440|6.928058|4.121966|5.719180|10.507057|6.637367|12.533498|14.266242|36.858105| |2.213467|2.590486|2.612710|2.462019|4.186660|3.260595|5.204879|3.870655|0.112730|3.233886|2.734931|2.389345|2.361097|2.649833|3.149478|6.196729|3.662217|4.615978|6.882171|4.352546|7.520797|12.303126|12.452330|36.858105| |1.933976|2.222904|2.294167|2.120981|3.454505|2.676599|4.431842|3.026908|0.085819|2.624505|2.316334|2.065308|2.031509|2.222783|2.547047|4.868909|3.219084|3.996981|5.174876|3.598378|4.865113|7.911433|7.413767|12.407681|36.858105| |1.771599|2.030870|2.086488|1.990387|3.092095|2.325611|3.837394|2.576113|0.074626|2.267132|2.009509|1.819801|1.812485|1.988767|2.245293|4.359862|2.908741|3.451929|4.153812|2.843621|3.780141|6.622679|4.881501|7.565075|12.397758|36.858105| |1.579868|1.783797|1.850967|1.746878|2.660583|2.003358|3.371546|2.173625|0.061989|1.950496|1.769084|1.621061|1.608972|1.737345|1.924219|3.665594|2.615622|3.074729|3.445118|2.445253|2.977137|5.141356|3.725540|4.889234|7.469386|12.444038|36.858105| |1.485351|1.652369|1.703898|1.602509|2.471658|1.889350|3.209887|2.069470|0.058283|1.898205|1.742863|1.613962|1.605145|1.720521|1.880323|3.539345|2.627959|3.027864|3.285622|2.379636|2.798947|4.781341|3.511714|4.325811|6.379452|7.532324|12.451462|36.858105| |1.575504|1.748978|1.809590|1.666502|2.642194|2.061112|3.530245|2.279603|0.063089|2.091125|1.929795|1.776135|1.749670|1.863484|2.044820|3.791503|2.847613|3.372415|3.721902|2.769102|3.160022|5.198257|4.174598|4.853514|7.476179|6.468619|7.554861|12.452620|36.858105| |1.765705|1.980291|2.028166|1.874268|3.063798|2.417530|4.076650|2.757976|0.076572|2.496692|2.254817|2.047699|2.020883|2.184453|2.443520|4.576040|3.237955|3.889917|4.667430|3.392710|4.176767|6.745154|6.048377|7.429612|12.393798|7.567903|6.453872|7.517151|12.433454|36.858105| |17.627162|8.770626|6.870570|5.509628|9.380669|6.560973|13.467267|4.399362|0.111471|3.957774|3.984999|3.288995|2.849613|2.826455|3.231475|5.241983|4.361774|7.933025|4.887982|3.463145|2.975238|5.049301|2.527337|2.209076|1.940307|1.756675|1.573524|1.491220|1.597010|1.789736|0.500000| |17.555730|8.791765|5.487638|6.952949|9.584571|5.692780|9.506878|4.237577|0.116081|3.927404|3.748222|3.212084|2.928514|2.997438|3.415722|5.703377|4.496289|6.749327|4.513658|3.008404|2.868354|5.111805|2.392825|2.148935|1.867528|1.719515|1.530317|1.444649|1.527474|1.715707|0.300887|0.500000| |17.551207|8.829250|6.876774|6.955803|7.607100|4.626677|8.411382|3.439792|0.093175|3.088177|3.004256|2.604921|2.366456|2.396286|2.694473|4.576186|3.718927|5.666275|3.969415|2.756138|2.559623|4.469543|2.220607|2.012300|1.786587|1.654391|1.489891|1.398849|1.474551|1.633720|0.301198|0.301029|0.500000| |6.881840|8.827283|17.551434|6.946998|7.608356|4.617844|8.418848|3.432052|0.093236|2.849723|2.685642|2.285377|2.086062|2.149838|2.471897|4.321980|3.269867|5.120951|4.304406|3.034164|2.827430|4.808067|2.531749|2.304052|2.064567|1.907051|1.715259|1.580416|1.664990|1.839058|0.169879|0.140660|0.205926|0.500000| |5.487368|8.792064|17.550197|6.960419|9.582823|5.653963|9.497508|4.208331|0.116220|3.233429|2.909729|2.417491|2.221169|2.342745|2.781277|4.972411|3.427636|5.442199|5.481797|3.721237|3.638688|6.098046|3.219927|2.905019|2.539770|2.313728|2.033717|1.844610|1.951147|2.194786|0.140330|0.122913|0.140662|0.301068|0.500000| |6.867088|8.775403|17.626282|5.510576|9.399283|6.543875|13.497207|4.388378|0.111728|3.490412|3.317145|2.705039|2.394054|2.444214|2.867545|4.872421|3.680111|6.607031|5.569180|4.076718|3.428138|5.563268|3.024206|2.619130|2.317033|2.072252|1.849371|1.719776|1.850245|2.073828|0.204869|0.140375|0.169497|0.301106|0.300699|0.500000| |6.942084|8.760617|5.502051|17.539821|9.768229|4.840618|7.218969|3.987293|0.122625|3.423295|2.997169|2.601704|2.509625|2.729546|3.193629|5.896393|3.884366|5.144659|4.434676|2.793893|3.037706|5.704765|2.527806|2.372048|2.032812|1.916875|1.680208|1.551045|1.608777|1.813143|0.141340|0.209110|0.172083|0.141347|0.141507|0.122815|0.500000| |5.501798|8.759424|6.937263|17.537926|9.775671|4.833914|7.220197|3.980136|0.122799|3.196999|2.768949|2.370342|2.271085|2.476086|2.939201|5.530479|3.517482|4.845681|4.750233|2.983770|3.344434|6.198280|2.835956|2.697490|2.306900|2.182228|1.895937|1.715990|1.772696|2.000448|0.122780|0.141444|0.141419|0.171683|0.209233|0.141350|0.300145|0.500000| |6.929148|8.822974|6.931838|17.581679|7.723866|4.144133|6.717052|3.309705|0.096703|2.828886|2.576986|2.248123|2.130010|2.254748|2.584844|4.681241|3.351560|4.619267|3.925487|2.594365|2.684817|4.862069|2.333014|2.197248|1.933923|1.831696|1.630230|1.497401|1.550101|1.720544|0.141324|0.171295|0.208669|0.208464|0.171641|0.141313|0.301756|0.301713|0.500000| |6.005771|9.010348|5.992021|7.921716|26.084984|9.545198|10.912429|7.677043|0.264476|5.352815|4.162155|3.329716|3.156663|3.565451|4.647688|8.679863|4.632809|6.918307|7.495060|4.187252|4.892193|9.200057|3.652059|3.245762|2.624556|2.376924|2.018981|1.863847|1.973857|2.304613|0.145642|0.166972|0.130624|0.130384|0.166231|0.145555|0.219560|0.219144|0.152162|0.500000| |2.831127|2.652559|2.390356|2.298083|4.163033|3.662450|6.738082|4.012453|0.096836|5.599515|8.955100|17.771733|8.909982|5.641908|4.965604|6.537761|13.192772|13.630779|4.754083|3.545177|2.943419|4.987750|2.531422|2.156053|1.901202|1.682602|1.517226|1.517667|1.670732|1.899536|0.086887|0.082859|0.068989|0.060166|0.062383|0.070912|0.065820|0.060167|0.058231|0.080744|0.500000| |2.474209|2.508076|2.182848|2.366766|4.112892|3.286965|5.216767|4.123501|0.117979|5.600868|4.949094|5.625623|8.836014|17.727591|8.983851|13.622363|12.671020|6.531075|4.801008|3.040887|3.404950|6.598970|2.793175|2.532293|2.139111|1.944236|1.701636|1.688636|1.809876|2.110328|0.069333|0.074744|0.060637|0.054771|0.059550|0.060930|0.070787|0.064345|0.058515|0.088915|0.123605|0.500000| |2.985061|3.372200|2.925404|3.180798|6.162445|4.889831|6.886774|7.551298|0.280953|7.368050|4.835461|4.127874|4.456446|6.167163|9.819700|35.405408|6.218542|6.821661|8.785678|4.443944|7.168373|18.001793|4.751688|4.209697|3.160212|2.787279|2.292253|2.193695|2.359381|2.910343|0.081596|0.086746|0.071411|0.070315|0.083546|0.080050|0.092831|0.091240|0.074834|0.145136|0.093259|0.158371|0.500000| |2.204213|2.144007|1.905537|1.997622|3.354771|2.706440|4.566540|3.133812|0.084634|4.147484|4.443347|6.079330|10.042566|7.862390|5.019718|7.305982|35.755387|6.255224|3.777716|2.588974|2.596598|4.753695|2.247798|2.030289|1.784506|1.626460|1.461375|1.468839|1.580768|1.795863|0.063195|0.066271|0.054987|0.048653|0.051185|0.054051|0.059024|0.053462|0.050657|0.069634|0.151367|0.229790|0.097090|0.500000| |4.461539|4.311754|3.954502|3.288454|7.201457|8.015903|19.434195|7.077116|0.143304|7.489542|9.886358|6.119479|4.437155|4.122828|4.865854|6.878162|6.236227|35.370505|7.909134|6.359629|4.128965|6.458977|3.388724|2.712427|2.336076|2.012962|1.785743|1.740012|1.934173|2.233099|0.150637|0.119544|0.101307|0.093087|0.099770|0.126869|0.089175|0.085084|0.080902|0.123988|0.155700|0.093140|0.107231|0.085745|0.500000| |3.331615|3.815758|4.111291|3.070744|6.314493|6.183234|12.047190|6.194132|0.137095|4.721837|4.403350|3.396133|2.940339|3.015295|3.659497|6.023906|4.383248|8.825206|12.249444|17.593085|6.271357|8.146160|5.873581|4.088025|3.505480|2.799743|2.437311|2.338929|2.703160|3.225572|0.101219|0.084652|0.080738|0.094270|0.118320|0.133066|0.078788|0.086684|0.075792|0.114953|0.086801|0.073368|0.104499|0.063722|0.162265|0.500000| |2.702510|3.002975|3.060865|2.559340|4.992167|4.661245|8.339171|5.639078|0.129285|4.853867|4.491889|3.599935|3.194115|3.304995|3.962057|6.498366|4.754969|8.298042|12.363016|17.666450|7.278662|8.953001|7.587317|4.730959|4.015234|3.057935|2.640197|2.623670|3.154376|3.951381|0.080483|0.071573|0.066267|0.072965|0.088112|0.093591|0.067937|0.072683|0.063486|0.096870|0.090843|0.080676|0.114142|0.069402|0.135952|0.300401|0.500000| |3.278997|3.515179|3.475371|2.847538|5.976621|6.264920|12.331315|7.257858|0.145873|6.586650|6.734079|4.776658|3.869453|3.826263|4.646202|6.977060|5.549054|14.140451|12.457589|17.710689|5.821838|7.972895|4.951358|3.555983|3.024059|2.468128|2.162659|2.129141|2.453613|2.929667|0.101775|0.086751|0.078178|0.081638|0.095101|0.109872|0.075970|0.078090|0.070150|0.110194|0.119545|0.089086|0.116767|0.078541|0.242069|0.302034|0.304786|0.500000| |2.295957|2.604042|2.615655|2.359861|4.289319|3.625384|5.991664|4.541917|0.120087|3.940997|3.405563|2.923840|2.812897|3.082687|3.669771|6.676956|4.288975|5.785382|9.179358|6.540185|9.002745|11.406816|17.543433|8.798746|6.656579|4.433137|3.556128|3.555234|4.436300|6.639435|0.065661|0.061913|0.057230|0.063515|0.077857|0.075820|0.063426|0.069155|0.058547|0.088728|0.073025|0.079188|0.123558|0.064826|0.092720|0.151776|0.239506|0.141473|0.500000| |2.550864|3.002801|3.158008|2.684088|4.903857|4.087236|6.792247|4.698301|0.123881|3.703717|3.210113|2.684211|2.522268|2.729481|3.291662|5.995464|3.851107|5.698683|9.793697|7.187245|8.889701|10.727425|17.556520|8.813634|6.870040|4.591270|3.668530|3.412899|4.094305|5.520349|0.072714|0.066990|0.063699|0.075379|0.097566|0.092011|0.069982|0.080117|0.066428|0.099528|0.067794|0.069669|0.110357|0.057878|0.095800|0.198448|0.225625|0.142553|0.304388|0.500000| |2.334933|2.797777|2.829800|2.709280|4.505044|3.382910|5.304723|3.897522|0.117346|3.159371|2.647132|2.300466|2.272502|2.561048|3.069436|6.145548|3.523276|4.480124|6.626973|4.055255|7.026541|12.493367|8.909526|17.550530|8.866976|7.167948|4.632849|3.855247|4.062569|5.467149|0.063814|0.062720|0.059085|0.069118|0.089434|0.077218|0.071936|0.084459|0.066770|0.098706|0.057649|0.068110|0.116176|0.054333|0.074104|0.109420|0.115700|0.092810|0.173859|0.209321|0.500000| |2.113290|2.438950|2.400422|2.347443|3.955389|3.064407|4.850260|3.734348|0.111235|3.246118|2.720677|2.419234|2.446282|2.797582|3.298911|6.694248|3.806986|4.483080|6.318387|3.905460|6.861597|12.871913|8.868799|17.568409|8.819938|6.806849|4.523887|4.172700|4.531391|6.826669|0.058363|0.057834|0.053341|0.059223|0.072948|0.066446|0.063969|0.070944|0.058168|0.086526|0.060234|0.075567|0.127313|0.059255|0.072023|0.098971|0.117379|0.091955|0.213153|0.173577|0.305352|0.500000| |1.979076|2.285027|2.416261|2.159595|3.505267|2.720274|4.576327|2.984530|0.083189|2.551584|2.281032|2.017675|1.955047|2.110250|2.418930|4.539364|3.098006|4.016221|5.138802|3.715539|4.594746|7.187590|6.930353|8.887314|17.451843|8.920479|6.848596|5.697782|6.845261|8.903948|0.055390|0.052469|0.050986|0.060425|0.074993|0.068311|0.056735|0.065294|0.054999|0.072816|0.051974|0.055891|0.081052|0.047380|0.065906|0.104623|0.114601|0.085805|0.168452|0.211186|0.211322|0.173841|0.500000| |1.848999|2.147874|2.218364|2.131822|3.247598|2.396047|3.923870|2.610939|0.076587|2.259515|1.990543|1.791932|1.780906|1.959137|2.228281|4.358287|2.850265|3.426973|4.148510|2.795039|3.756084|6.695044|4.625616|6.975939|8.818884|17.525246|8.828726|5.492086|4.845426|5.504136|0.050495|0.049674|0.048100|0.056382|0.069314|0.060463|0.056674|0.065875|0.054490|0.069797|0.045969|0.053129|0.077524|0.044252|0.055995|0.077628|0.081351|0.067301|0.111509|0.124037|0.218890|0.168780|0.215389|0.500000| |1.720956|1.959707|1.977793|1.935881|3.000657|2.250704|3.683907|2.531874|0.074245|2.265753|1.997090|1.826202|1.843942|2.043550|2.292901|4.521618|2.969363|3.383219|4.009154|2.694443|3.682301|6.721028|4.534338|6.987889|8.848429|17.486118|8.853992|6.786250|5.680260|6.814384|0.047255|0.046850|0.044568|0.050287|0.060341|0.054332|0.052415|0.058757|0.049373|0.064748|0.046720|0.056140|0.080240|0.046460|0.054357|0.072304|0.080223|0.065828|0.117400|0.112826|0.180689|0.206391|0.174395|0.303527|0.500000| |1.597242|1.807141|1.904298|1.761674|2.669336|2.009088|3.412655|2.143318|0.060597|1.908116|1.742696|1.588938|1.562086|1.673312|1.856585|3.499682|2.537386|3.064587|3.406143|2.459330|2.885862|4.889487|3.615952|4.508056|6.732612|8.851564|17.493723|8.857555|6.797736|5.665506|0.044286|0.042656|0.042000|0.049165|0.058414|0.053034|0.046656|0.053139|0.045891|0.055760|0.041494|0.045217|0.060600|0.039188|0.049741|0.069394|0.073469|0.060246|0.094877|0.103351|0.121611|0.110896|0.201933|0.214883|0.173743|0.500000| |1.495864|1.683539|1.738987|1.668917|2.489242|1.852813|3.112031|1.996435|0.057376|1.804077|1.638831|1.512015|1.509401|1.631518|1.794818|3.437023|2.468138|2.840108|3.095747|2.178954|2.647929|4.673709|3.171476|4.077112|5.464948|8.828255|17.532250|8.812673|5.496868|4.839870|0.041165|0.040387|0.039384|0.045104|0.052961|0.047907|0.044756|0.050383|0.043482|0.052716|0.039375|0.044692|0.059245|0.038460|0.045754|0.060351|0.064434|0.054170|0.083901|0.086236|0.111615|0.108723|0.140370|0.212762|0.215028|0.303473|0.500000| |1.385982|1.531158|1.585952|1.486917|2.264859|1.726595|2.958330|1.866981|0.052341|1.724417|1.600664|1.490843|1.479426|1.572528|1.703904|3.181869|2.439198|2.798918|2.926353|2.144747|2.436042|4.159380|2.975980|3.503079|4.798255|5.487335|8.811331|17.531923|8.816167|5.481934|0.038695|0.037405|0.036464|0.041172|0.047494|0.044523|0.039944|0.044051|0.038869|0.047203|0.039211|0.042901|0.054226|0.037849|0.044639|0.059046|0.065253|0.053897|0.083868|0.081883|0.089095|0.093710|0.127513|0.123225|0.139302|0.214894|0.211338|0.500000| |1.445191|1.600948|1.631009|1.560964|2.404068|1.834045|3.097074|2.029188|0.057560|1.883605|1.724306|1.609858|1.617989|1.744365|1.893745|3.592933|2.659823|2.964812|3.184738|2.274531|2.729300|4.761775|3.338978|4.144754|5.613251|6.780105|8.855303|17.495274|8.855821|6.767331|0.040208|0.039311|0.037759|0.042041|0.048788|0.045561|0.042298|0.046339|0.040451|0.050692|0.041949|0.047976|0.061683|0.041538|0.047037|0.061270|0.069411|0.057022|0.094918|0.087438|0.102272|0.117666|0.131666|0.139405|0.199720|0.173811|0.214787|0.303312|0.500000| |1.592551|1.769316|1.857286|1.675681|2.649955|2.070364|3.586212|2.250064|0.061677|2.046247|1.904186|1.742232|1.696878|1.791133|1.969935|3.614381|2.759047|3.375598|3.687591|2.809248|3.060402|4.940966|4.045706|4.479086|6.739069|5.675993|6.799664|8.859850|17.493751|8.852506|0.045000|0.042573|0.041535|0.047566|0.055777|0.053064|0.044586|0.049477|0.043477|0.054471|0.045772|0.047967|0.062283|0.042308|0.054132|0.077880|0.088775|0.068894|0.117301|0.116483|0.107444|0.111054|0.201862|0.126915|0.131426|0.200186|0.139489|0.215019|0.173833|0.500000| |1.489487|1.634325|1.681434|1.553768|2.463534|1.932063|3.331512|2.140780|0.058873|2.003554|1.871468|1.742796|1.721474|1.819850|1.969393|3.618026|2.825354|3.268832|3.454158|2.600103|2.874101|4.746262|3.664583|4.041114|5.468478|4.847948|5.496926|8.813834|17.532221|8.829337|0.042102|0.040269|0.038762|0.043130|0.049833|0.047939|0.041875|0.045532|0.040257|0.050967|0.045788|0.049249|0.061850|0.043606|0.051600|0.069828|0.082742|0.065159|0.112015|0.098941|0.094829|0.108926|0.140298|0.106718|0.127094|0.139476|0.123210|0.211545|0.214766|0.303524|0.500000| |1.715618|1.912495|1.926043|1.824354|2.974300|2.338357|3.905484|2.713539|0.076276|2.507901|2.251163|2.070170|2.077452|2.269855|2.517277|4.777827|3.342370|3.815885|4.491512|3.175126|4.067216|6.858264|5.480262|6.879977|8.849081|6.813754|5.666993|6.769872|8.845562|17.481603|0.048136|0.046754|0.044027|0.048600|0.057474|0.054380|0.049553|0.053946|0.046426|0.062782|0.053085|0.061672|0.084284|0.051918|0.060237|0.082047|0.101448|0.077598|0.170793|0.130538|0.142045|0.207294|0.174245|0.139770|0.200948|0.131202|0.126849|0.139106|0.199121|0.173703|0.214922|0.500000| |1.833939|2.044557|2.098761|1.902833|3.183884|2.568866|4.384223|2.952631|0.080016|2.687119|2.451906|2.213643|2.158336|2.308514|2.585476|4.733232|3.440289|4.264180|5.137922|3.898609|4.479659|6.883749|6.718424|6.748490|8.768509|5.493498|4.839680|5.497380|8.867564|17.537667|0.052168|0.049373|0.046910|0.052581|0.062593|0.060420|0.051050|0.055901|0.048436|0.065729|0.057141|0.061194|0.083384|0.052578|0.067764|0.101484|0.132647|0.092758|0.232570|0.173744|0.138272|0.168431|0.214048|0.123092|0.139507|0.126795|0.106617|0.123459|0.139475|0.215848|0.214097|0.303447|0.500000|
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