Version2.4 2021-05-26T10:49:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc(cc1)[C@H]2CC3=C([C@H](CC(=O)N3)c4cc(c(c(c4)Br)O)OCC)C(=O)C2 C21228433 RHF 6-31G(d) (6D,7F) CCOc1ccc(cc1)[C@H]2CC3=C([C@H](CC(=O)N3)c4cc(c(c(c4)Br)O)OCC)C(=O)C2 C01[X(C25H26Br1N1O5)] 168 C1 547 CCOc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cc(Br)c(c(c1)OCC)O CCOc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cc(Br)c(c(c1)OCC)O CCOc1ccc(cc1)[C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c4cc(Br)c(O)c(OCC)c4 InChIKey=NJALUMFTBNCGEU-MAUKXSAKSA-N InChI=1S/C25H26BrNO5/c1-3-31-17-7-5-14(6-8-17)15-10-20-24(21(28)11-15)18(13-23(29)27-20)16-9-19(26)25(30)22(12-16)32-4-2/h5-9,12,15,18,30H,3-4,10-11,13H2,1-2H3,(H,27,29)/t15-,18+/m0/s1 InChI=1/C25H26BrNO5/c1-3-31-17-7-5-14(6-8-17)15-10-20-24(21(28)11-15)18(13-23(29)27-20)16-9-19(26)25(30)22(12-16)32-4-2/h5-9,12,15,18,30H,3-4,10-11,13H2,1-2H3,(H,27,29)/t15-,18+/m0/s1/f/h27H CCOc1ccc(cc1)[C@H]2CC3=C([C@H](CC(=O)N3)c4cc(c(c(c4)Br)O)OCC)C(=O)C2 C01[X(C25H26Br1N1O5)] 168 C01 547 CCOc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cc(Br)c(c(c1)OCC)O CCO[C]1[CH][CH][C]([CH][CH]1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[C]1[CH][C]([C]([C]([CH]1)OCC)O)Br CCO[C]1[CH][CH][C]([CH][CH]1)[C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3[C]4[CH][C](Br)[C](O)[C]([CH]4)OCC InChIKey=NJALUMFTBNCGEU-MAUKXSAKSA-N InChI=1S/C25H26BrNO5/c1-3-31-17-7-5-14(6-8-17)15-10-20-24(21(28)11-15)18(13-23(29)27-20)16-9-19(26)25(30)22(12-16)32-4-2/h5-9,12,15,18,30H,3-4,10-11,13H2,1-2H3,(H,27,29)/t15-,18+/m0/s1 InChI=1/C25H26BrNO5/c1-3-31-17-7-5-14(6-8-17)15-10-20-24(21(28)11-15)18(13-23(29)27-20)16-9-19(26)25(30)22(12-16)32-4-2/h5-9,12,15,18,30H,3-4,10-11,13H2,1-2H3,(H,27,29)/t15-,18+/m0/s1/f/h27H 3616.3418894373 -3960.519653 1-A 24706.1260 129 418 547 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114.7936 116.2532 130.5769 138.7997 142.0379 172.8214 178.0872 197.2643 212.2267 239.2633 245.7962 266.6496 277.6623 282.0297 287.6239 303.8387 323.7519 348.3830 370.0574 380.5131 388.2476 401.6684 426.6700 434.3465 447.3898 464.5537 466.1143 499.7997 506.5727 536.1387 565.3732 579.7205 589.6260 612.8526 614.0594 633.5501 643.0638 658.5425 665.4836 690.2038 699.0002 709.2171 720.5143 750.1718 799.3070 810.6327 817.8279 825.8336 844.2218 881.4204 899.6550 900.3674 914.9883 931.9208 937.7002 945.6920 950.2139 968.3258 976.1655 1006.6605 1016.0923 1027.1743 1038.6368 1048.2787 1073.1104 1080.9667 1093.6416 1110.2259 1114.0328 1147.3860 1162.6515 1170.8909 1173.3726 1205.6102 1212.5742 1224.3867 1229.5187 1242.8977 1245.6791 1268.8433 1274.4731 1283.2832 1297.9131 1300.4980 1305.4422 1307.1228 1319.4539 1339.0077 1348.7478 1374.2190 1383.7719 1400.4705 1415.7172 1428.6070 1432.3298 1433.3807 1438.4720 1449.2972 1455.6705 1459.8222 1481.6523 1498.9503 1502.1279 1518.6754 1519.3108 1545.7237 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MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE CCOc1ccc(cc1)[C@H]2CC3=C([C@H](CC(=O)N3)c4cc(c(c(c4)Br)O)OCC)C(=O)C2 C21228433 RHF 6-31G(d) (6D,10F) C1 499.099434 |X|Y|Z| 45.941145 61.900989 136.983536
73.033580 22 6 7 21 1
|36.858105| |12.574546|36.858105| |8.080957|13.546997|73.516695| |5.230862|7.976432|25.147689|36.858105| |4.087942|5.245705|14.579331|13.693024|36.858105| |3.199993|3.979347|9.418500|7.932936|13.821840|36.858105| |2.962333|3.760425|8.151839|6.778004|7.870278|13.667469|36.858105| |3.335957|4.497087|9.240998|7.937247|6.921410|8.027279|13.746884|36.858105| |4.395900|6.685747|13.980318|13.737644|7.953775|6.901056|7.850952|13.719392|36.858105| |2.397413|2.902505|5.970333|4.400143|5.003489|7.533867|12.541290|7.483910|4.974561|36.858105| |2.269021|2.681471|5.592156|4.003955|4.844813|7.456514|9.008429|5.605582|4.195347|17.534807|0.500000| |2.212538|2.645497|5.269892|3.723987|4.021038|5.342526|7.512860|5.990664|4.269085|12.433781|0.249674|36.858105| |1.887337|2.196963|4.288122|2.898701|3.110799|3.919473|4.919584|4.188184|3.235559|7.561846|0.190668|12.643846|36.858105| |1.773862|2.047628|3.975314|2.655889|2.848732|3.547149|4.350022|3.740710|2.942129|6.594977|0.175305|7.563102|14.223499|36.858105| |1.553623|1.759866|3.374262|2.192074|2.333887|2.792015|3.233929|2.882699|2.383374|4.342748|0.121185|4.870557|7.665745|12.508684|36.858105| |1.505899|1.701673|3.235397|2.087605|2.197380|2.590381|2.996599|2.731900|2.279685|3.896983|0.106847|4.141935|5.798902|9.007198|17.608244|0.500000| |1.486491|1.676903|3.176492|2.041364|2.137747|2.499464|2.880530|2.654004|2.230217|3.670624|0.099577|4.446841|6.785049|7.655986|12.409996|0.249114|36.858105| |1.554318|1.757059|3.343920|2.155451|2.265868|2.655246|3.048299|2.791887|2.346901|3.845704|0.104312|5.093394|7.792379|6.646097|7.449023|0.154088|12.614915|36.858105| |1.467129|1.642225|3.105495|1.973013|2.063310|2.367113|2.652282|2.466340|2.126374|3.189931|0.087246|4.091807|5.415384|4.700019|5.240147|0.118340|7.951785|15.965975|73.516695| |1.745181|2.001306|3.859360|2.542028|2.698897|3.254675|3.846058|3.427075|2.791614|5.088031|0.135171|7.831314|13.789810|8.048320|6.747743|0.140510|7.835823|13.840514|15.139297|53.358707| |1.476089|1.651719|3.194413|2.054660|2.231727|2.660960|2.941093|2.566400|2.171959|3.832563|0.114873|4.066284|5.665775|7.533575|12.447062|0.250114|7.399573|5.761797|8.116647|7.220425|36.858105| |1.453679|1.618466|3.138523|2.008688|2.195261|2.604199|2.822826|2.455045|2.100511|3.595449|0.109986|3.525875|4.452123|5.895170|7.570736|0.201683|4.979254|4.079743|6.077909|5.401159|13.593506|36.858105| |1.376849|1.515473|2.945591|1.861904|2.050594|2.396003|2.510060|2.185434|1.910879|3.065469|0.095470|2.975433|3.547705|4.266179|5.024317|0.133442|3.841586|3.370070|5.277941|4.475451|7.902584|13.877401|36.858105| |1.324297|1.448725|2.815536|1.767461|1.950162|2.258422|2.333355|2.037744|1.799890|2.799438|0.087293|2.805477|3.323860|3.748382|4.393995|0.111427|3.667480|3.383777|5.485128|4.419192|6.788881|7.893285|13.580002|36.858105| |1.341056|1.472338|2.855629|1.798626|1.975872|2.295860|2.399694|2.100467|1.844347|2.909243|0.089776|3.055279|3.747890|4.090011|4.967637|0.118356|4.376657|4.168871|6.827665|5.256089|7.918100|6.916908|8.000683|13.881729|36.858105| |1.412687|1.567536|3.032680|1.931662|2.105891|2.479310|2.672347|2.339928|2.015537|3.356939|0.101676|3.672587|4.893422|5.482341|7.440447|0.159235|6.409332|5.864589|8.962385|7.021207|13.822690|7.971979|6.900105|7.897417|13.663686|36.858105| |1.253118|1.361120|2.628699|1.632642|1.785535|2.029193|2.082013|1.849982|1.657402|2.424417|0.073773|2.588557|3.025970|3.086930|3.530414|0.086239|3.449924|3.548936|6.320720|4.459340|4.601265|4.100271|4.603822|6.722916|10.068557|6.700528|2539.412838| |1.251466|1.355626|2.631582|1.632815|1.802320|2.052016|2.078666|1.830056|1.643766|2.416058|0.075057|2.395697|2.729041|2.986929|3.355564|0.087298|2.928581|2.771362|4.622244|3.654712|4.592534|5.242054|8.003559|14.195012|8.040893|5.225498|212.430668|73.516695| |1.334820|1.458681|2.831930|1.773672|1.952385|2.247802|2.315945|2.033066|1.803889|2.740215|0.084923|2.583473|2.943887|3.467708|3.854754|0.107114|3.070104|2.735445|4.363176|3.685946|5.166608|7.853197|14.058674|8.253323|5.337913|4.633170|126.255243|12.910886|73.516695| |1.360600|1.489752|2.882478|1.805519|1.973259|2.262302|2.347396|2.078843|1.845257|2.755862|0.084025|2.529200|2.832356|3.399309|3.664755|0.106818|2.887850|2.537442|4.016809|3.458475|4.471327|6.660425|7.953113|5.250531|3.992450|3.785209|100.368709|8.400747|23.999190|36.858105| |1.287074|1.393762|2.688409|1.660694|1.810140|2.032316|2.067825|1.853176|1.677753|2.343366|0.070954|2.146028|2.333057|2.694338|2.838024|0.082072|2.350550|2.116928|3.420444|2.893381|3.321818|4.386221|5.216748|4.099512|3.212045|2.979252|87.105166|7.280302|14.337548|12.578552|36.858105| |1.880155|2.187979|4.266412|2.882270|3.090591|3.890733|4.886327|4.167218|3.219273|7.512133|0.192734|6.505440|7.823300|12.943916|7.358531|0.199370|5.023086|4.406597|6.142771|6.983030|5.643695|5.437966|4.049154|3.390108|3.447169|4.199927|90.079479|4.953451|6.234328|3.666308|2.903940|36.858105| |1.746932|2.005158|3.870748|2.555625|2.719560|3.298815|3.920089|3.469997|2.809710|5.285388|0.143185|4.612800|5.396858|8.137569|6.623269|0.209852|4.499251|3.751684|5.409658|5.514325|5.465918|5.917018|4.323207|3.440059|3.356149|3.964368|86.657537|5.047622|6.872679|4.288090|3.303668|15.851935|73.516695| |2.207425|2.642916|5.242292|3.702957|3.966501|5.238435|7.469179|6.063752|4.283723|12.439333|0.249177|7.628380|6.675565|7.443583|4.807383|0.128138|3.834242|3.683291|5.363349|6.132987|4.035640|3.937116|3.225894|2.816575|2.856490|3.321689|78.817919|4.284803|5.186906|3.057935|2.554522|12.553175|14.329427|36.858105| |17.578493|8.864145|12.948711|4.878869|4.009210|3.136035|2.854408|3.136324|4.017382|2.328457|0.061817|2.177067|1.858033|1.732844|1.523249|0.040777|1.464467|1.543941|2.605666|2.361261|1.455355|1.427647|1.358340|1.316046|1.337364|1.404275|42.869363|2.217268|2.335722|1.329624|1.258356|1.814343|2.986305|2.110101|0.500000| |17.578682|8.864395|12.948070|4.880703|4.012148|3.138062|2.855757|3.137205|4.017805|2.329052|0.061923|2.115430|1.820704|1.730080|1.520365|0.041076|1.443385|1.498381|2.509022|2.280467|1.454352|1.444854|1.374986|1.318646|1.325916|1.388983|42.060095|2.223845|2.386524|1.374161|1.307884|1.849974|3.081695|2.167147|0.300963|0.500000| |17.554634|8.875735|10.249645|4.237165|3.385415|2.773029|2.641419|3.001660|3.841543|2.187411|0.057265|2.046484|1.766720|1.666476|1.471003|0.039783|1.416499|1.476575|2.487373|2.238236|1.392656|1.369821|1.296380|1.247270|1.264302|1.333069|40.297361|2.096990|2.235641|1.283649|1.216360|1.760877|2.925083|2.045317|0.300425|0.300424|0.500000| |8.847725|17.542409|16.530653|7.086502|4.784098|3.810665|3.736456|4.599483|6.777674|2.912550|0.073809|2.739717|2.260182|2.077484|1.784547|0.047749|1.721027|1.820035|3.036498|2.830390|1.661621|1.610730|1.501646|1.441794|1.477616|1.582736|46.672684|2.390456|2.550608|1.457597|1.356637|2.186989|3.533838|2.626250|0.212146|0.173402|0.212581|0.500000| |8.847236|17.543191|16.531383|7.092925|4.789517|3.814569|3.739697|4.602505|6.780189|2.913841|0.073993|2.619902|2.194001|2.072783|1.779956|0.048232|1.687121|1.746689|2.886550|2.694316|1.660170|1.635609|1.524270|1.445253|1.462256|1.560976|45.634831|2.398764|2.617252|1.516918|1.419345|2.250312|3.695138|2.738866|0.173395|0.212150|0.212556|0.300961|0.500000| |4.112769|4.862557|13.482217|8.959338|17.736422|8.897941|5.608562|4.978657|5.666861|4.080095|0.114973|3.397367|2.741673|2.539342|2.131908|0.055848|1.959015|2.074122|3.395205|3.308026|2.077394|2.060254|1.957982|1.877911|1.891094|1.983759|58.870441|3.125522|3.346200|1.894418|1.760620|2.724865|4.347721|3.347110|0.115513|0.115629|0.093158|0.120252|0.120392|0.500000| |2.811644|3.330547|7.627125|5.655380|8.994361|17.699960|8.899810|5.679273|4.965344|7.004240|0.230914|5.060465|3.918606|3.595067|2.865885|0.073135|2.529601|2.687445|4.262106|4.459816|2.820392|2.788460|2.605201|2.468035|2.491259|2.651714|74.667289|3.997510|4.347188|2.432366|2.182616|3.890335|5.917294|4.930137|0.077622|0.077680|0.068332|0.088558|0.088650|0.215844|0.500000| |2.986304|3.913598|7.472056|5.667701|4.976213|5.670743|8.903944|17.700814|8.998411|6.897985|0.139687|6.150871|4.429217|3.971409|3.042661|0.080929|2.835837|2.953299|4.601484|4.907223|2.623371|2.482100|2.176482|2.019627|2.093957|2.365965|62.447133|3.202655|3.578083|2.066205|1.830037|4.418500|6.500527|6.350297|0.077747|0.077766|0.076855|0.113995|0.114058|0.107947|0.124213|0.500000| |4.666338|7.394485|12.462812|8.868732|5.639767|4.970517|5.628835|8.954697|17.762731|4.077141|0.096515|3.692509|2.912569|2.673041|2.209719|0.059307|2.098639|2.196788|3.570428|3.491805|2.001189|1.932821|1.759847|1.660364|1.703114|1.860709|52.419296|2.704924|2.962365|1.709440|1.562519|2.900984|4.581137|3.720576|0.114723|0.114703|0.117802|0.225632|0.225485|0.124209|0.107799|0.219359|0.500000| |2.238550|2.652757|5.350137|3.744347|4.145827|5.447100|6.797106|5.375956|4.105570|8.830204|0.219741|17.537418|8.956671|5.763398|4.188253|0.098459|3.982880|4.837363|7.274857|10.113701|3.729275|3.230926|2.823687|2.746322|3.030720|3.562765|90.414347|4.225584|4.368612|2.362835|2.032474|4.920113|6.691540|5.539278|0.062143|0.059166|0.057192|0.076811|0.071393|0.098878|0.147625|0.143920|0.098116|0.500000| |2.290436|2.775521|5.390326|3.797529|3.858399|4.809266|6.916791|6.592007|4.612730|8.771574|0.174484|17.515604|8.989769|6.156041|4.293343|0.105670|4.152128|4.718335|6.937743|9.199275|3.498903|3.064773|2.606594|2.461631|2.669365|3.177891|78.636107|3.788227|4.086395|2.277102|1.958007|5.562283|7.384516|6.689498|0.062238|0.060101|0.059360|0.081441|0.076823|0.089711|0.120055|0.210226|0.114163|0.303959|0.500000| |1.496664|1.694450|3.175419|2.037454|2.096869|2.425359|2.837355|2.691451|2.260652|3.545196|0.092858|4.287262|6.131154|6.797715|8.882090|0.226804|17.511741|9.131229|11.780241|9.093187|5.488309|4.164273|3.280873|3.082586|3.520341|4.718716|98.209832|4.514093|4.853023|2.645285|2.187390|4.872896|7.844209|3.816947|0.040769|0.040247|0.039822|0.048517|0.047645|0.053064|0.066936|0.081769|0.059815|0.104278|0.117579|0.500000| |1.372631|1.532665|2.892036|1.835286|1.921533|2.213597|2.491394|2.309177|1.981489|3.072049|0.084860|3.585172|4.980950|5.529305|8.696013|0.204773|17.626004|9.022292|13.277891|7.860889|6.921900|4.790519|3.847793|3.783306|4.608377|6.634476|125.806972|5.390756|5.457247|2.839577|2.328622|4.058805|6.813639|3.195139|0.037651|0.037120|0.036443|0.043602|0.042784|0.049479|0.062643|0.067859|0.052097|0.092249|0.093690|0.302831|0.500000| |1.792509|2.053334|3.964860|2.602524|2.760388|3.289606|3.813919|3.426565|2.836644|4.757596|0.126701|7.424735|9.216172|5.850228|5.005317|0.111112|5.723379|9.452942|14.003785|26.006230|4.288035|3.374418|2.913893|2.939866|3.479689|4.381274|106.228170|4.436966|4.353819|2.293412|1.955767|4.233402|6.087925|3.993062|0.049889|0.047498|0.046852|0.059783|0.055793|0.069259|0.091632|0.098657|0.072399|0.229177|0.184983|0.142886|0.129128|0.500000| |1.487633|1.662708|3.214652|2.062928|2.238321|2.653134|2.913384|2.554071|2.174793|3.711781|0.111128|3.510851|4.323510|5.989335|7.129107|0.218585|4.618072|3.721727|5.523970|5.030037|8.923084|17.789293|8.957050|5.625373|4.980430|5.678138|113.389351|7.519588|12.495318|7.394666|4.666301|6.273168|13.900496|4.341024|0.040311|0.041182|0.038984|0.045786|0.047075|0.057987|0.077933|0.072266|0.055707|0.087077|0.086001|0.113530|0.120196|0.087438|0.500000| |1.406758|1.561290|3.007001|1.911380|2.067380|2.416771|2.618177|2.320149|2.003262|3.249829|0.096256|3.733085|5.029071|5.182126|6.777096|0.143193|7.158181|7.421208|11.888784|8.070022|8.867117|5.635993|4.971674|5.670655|9.004793|17.771735|223.918937|7.554425|6.537146|3.125996|2.551766|3.844060|6.277529|3.139230|0.038978|0.038202|0.036955|0.044125|0.043010|0.053994|0.071034|0.065536|0.051609|0.102668|0.090952|0.141405|0.212460|0.141076|0.124049|0.500000| |1.243205|1.344178|2.608715|1.614886|1.782172|2.021510|2.040209|1.799692|1.622072|2.354689|0.073079|2.290156|2.575226|2.851521|3.158199|0.084124|2.717569|2.541273|4.210356|3.384773|4.199372|5.094718|8.028106|10.156525|6.063641|4.442840|162.066485|35.661854|16.161264|5.548352|4.971931|2.742073|5.066510|2.382910|0.034320|0.034659|0.032552|0.036869|0.037291|0.048407|0.061515|0.049141|0.041734|0.062601|0.056839|0.066529|0.077452|0.064153|0.119181|0.101459|0.500000| |1.321764|1.449604|2.780474|1.739953|1.876425|2.141369|2.259137|2.031361|1.798794|2.659932|0.079185|2.481105|2.822486|3.448272|3.858056|0.117664|3.036627|2.589292|4.089094|3.463475|4.571911|6.743013|7.085646|4.789334|3.823648|3.760090|96.335210|7.469427|16.544938|17.563063|8.840993|3.706368|7.971254|3.015968|0.035793|0.036967|0.034805|0.039558|0.041160|0.049716|0.062957|0.056839|0.046649|0.063724|0.062831|0.078059|0.083783|0.063246|0.224357|0.086919|0.131338|0.500000| |1.471961|1.623172|3.163559|2.001097|2.204615|2.562986|2.666719|2.327990|2.046375|3.168862|0.097823|2.814088|3.113335|3.789642|3.883894|0.112478|2.979162|2.637172|4.116054|3.686188|4.594003|6.789002|7.110960|4.794956|3.828716|3.769038|96.350749|7.465790|16.537700|17.567618|8.836756|4.302859|9.136051|3.586517|0.039829|0.041364|0.038407|0.043942|0.046030|0.058449|0.076936|0.063926|0.052226|0.072207|0.069672|0.076159|0.079215|0.067677|0.227220|0.087024|0.131063|0.301224|0.500000| |1.202238|1.296030|2.485887|1.526450|1.653302|1.841665|1.875611|1.696215|1.543654|2.114258|0.063482|1.973929|2.158392|2.468257|2.655685|0.076845|2.249382|2.024209|3.307977|2.726306|3.119434|4.003800|4.858110|4.020731|3.147086|2.868262|87.187443|7.425576|12.914498|8.857432|17.573261|2.595078|5.182074|2.282326|0.032729|0.033865|0.031672|0.035167|0.036589|0.044768|0.054670|0.046721|0.040161|0.052248|0.050366|0.058140|0.062925|0.051362|0.114515|0.068703|0.143139|0.211955|0.173239|0.500000| |1.290935|1.396927|2.683013|1.652335|1.787774|1.992031|2.032431|1.839882|1.673172|2.277034|0.068032|2.065975|2.220012|2.563044|2.658994|0.078069|2.215828|1.992065|3.216934|2.734668|2.991897|3.834921|4.231411|3.392293|2.781566|2.654673|76.831178|5.926927|10.239089|8.886930|17.559308|2.828049|5.810791|2.523522|0.034897|0.036553|0.033958|0.037644|0.039749|0.048238|0.058837|0.050600|0.043464|0.053999|0.052873|0.058178|0.060593|0.051430|0.117793|0.064238|0.107753|0.212452|0.212354|0.300639|0.500000| |1.312096|1.415788|2.748742|1.693977|1.865096|2.090132|2.090221|1.857953|1.691938|2.344539|0.071962|2.129754|2.280349|2.584652|2.663664|0.075330|2.225370|2.046609|3.321817|2.830852|3.125886|4.012590|4.865302|4.023409|3.149424|2.871768|87.188570|7.421201|12.909254|8.857802|17.572826|2.776609|5.464900|2.501894|0.035733|0.037154|0.034317|0.038145|0.039888|0.050838|0.063104|0.050428|0.043560|0.056629|0.053691|0.057334|0.060908|0.053650|0.114870|0.068745|0.142774|0.173277|0.211841|0.300660|0.300643|0.500000| |2.259145|2.737049|5.282741|3.710755|3.745454|4.650664|6.752941|6.560154|4.549103|8.791532|0.174269|6.858932|5.931259|6.298821|4.351982|0.119590|3.683124|3.530593|5.201022|5.770571|3.534985|3.395138|2.811758|2.489621|2.546187|2.961097|71.826451|3.830597|4.560337|2.698756|2.295620|9.022060|11.948306|17.507265|0.059438|0.061082|0.058724|0.076421|0.080014|0.087195|0.116155|0.218673|0.113574|0.139318|0.196236|0.106585|0.085335|0.105629|0.103807|0.079377|0.059138|0.075324|0.085789|0.057705|0.063626|0.062027|0.500000| |2.245975|2.673140|5.343488|3.742845|4.062060|5.263387|6.793763|5.565529|4.188390|8.756744|0.213620|5.515097|4.945406|5.588931|4.068543|0.111933|3.257593|3.097992|4.636694|4.955102|3.630429|3.747775|3.162004|2.722786|2.681973|3.015796|74.306727|4.211243|5.265305|3.196493|2.706387|8.996685|13.522759|17.601943|0.059168|0.062171|0.057576|0.072183|0.077853|0.096328|0.139549|0.152906|0.100803|0.123419|0.137835|0.089625|0.077964|0.091654|0.117421|0.077995|0.066056|0.086472|0.106766|0.066160|0.075368|0.074043|0.303251|0.500000|
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