Version2.1 2021-01-08T12:00:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1N2[C@H](NN=C2c3cc[nH+]cc3)S[C@H](C)C4=NC(=O)C5=C([C@@H](SC5=N4)C)C C39712360 RHF 6-31G(d) (6D,7F) Cc1ccccc1N2[C@H](NN=C2c3cc[nH+]cc3)S[C@H](C)C4=NC(=O)C5=C([C@@H](SC5=N4)C)C C01[X(C24H25N6O1S2)] 168 C1 553 C[C@H](C1=NC(=O)C2=C([C@@H](SC2=N1)C)C)S[C@H]1NN=C(N1c1ccccc1C)c1cc[nH+]cc1 C[C@H](C1=NC(=O)C2=C([C@@H](SC2=N1)C)C)S[C@H]1NN=C(N1c1ccccc1C)c1cc[nH+]cc1 C[C@@H]1SC2=NC(=NC(=O)C2=C1C)[C@@H](C)S[C@H]3NN=C(N3c4ccccc4C)c5cc[nH+]cc5 InChIKey=LJRFGTQESBBOEP-DXMSMQRWSA-O InChI=1S/C24H24N6OS2/c1-13-7-5-6-8-18(13)30-21(17-9-11-25-12-10-17)28-29-24(30)33-16(4)20-26-22(31)19-14(2)15(3)32-23(19)27-20/h5-12,15-16,24,29H,1-4H3/p+1/t15-,16+,24-/m0/s1 InChI=1/C24H24N6OS2/c1-13-7-5-6-8-18(13)30-21(17-9-11-25-12-10-17)28-29-24(30)33-16(4)20-26-22(31)19-14(2)15(3)32-23(19)27-20/h5-12,15-16,24,29H,1-4H3/p+1/t15-,16+,24-/m0/s1/fC24H25N6OS2/h25H/q+1 Cc1ccccc1N2[C@H](NN=C2c3cc[nH+]cc3)S[C@H](C)C4=NC(=O)C5=C([C@@H](SC5=N4)C)C C01[X(C24H25N6O1S2)] 168 C01 553 C[C@H](C1=NC(=O)C2=C([C@@H](SC2=N1)C)C)S[C@H]1NN=C(N1c1ccccc1C)c1cc[nH+]cc1 C[C@@H]1S[C]2[N]C(=NC(=O)C2=C1C)[C@H](S[C@H]1NN=C(N1[C]1[CH][CH][CH][CH][C]1C)[C]1[CH][CH][NH][CH][CH]1)C C[C]1[CH][CH][CH][CH][C]1N2[C@H](NN=C2[C]3[CH][CH]N[CH][CH]3)S[C@H](C)C4=NC(=O)C5=C(C)[C@H](C)S[C]5[N]4 InChIKey=MIRSGYSUGNMJPX-DXMSMQRWSA-N InChI=1S/C24H25N6OS2/c1-13-7-5-6-8-18(13)30-21(17-9-11-25-12-10-17)28-29-24(30)33-16(4)20-26-22(31)19-14(2)15(3)32-23(19)27-20/h5-12,15-16,24-25,29H,1-4H3/t15-,16+,24-/m0/s1 InChI=1/C24H25N6OS2/c1-13-7-5-6-8-18(13)30-21(17-9-11-25-12-10-17)28-29-24(30)33-16(4)20-26-22(31)19-14(2)15(3)32-23(19)27-20/h5-12,15-16,24-25,29H,1-4H3/t15-,16+,24-/m0/s1 3684.6027539598 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685.39 724.69 746.30 757.37 779.34 802.72 820.66 863.55 883.71 909.71 926.46 978.75 1008.48 1019.78 1038.64 1041.39 1050.38 1065.96 1109.04 1122.84 1153.90 1155.56 1168.49 1186.64 1192.39 1221.53 1237.28 1257.83 1315.24 1358.83 1385.69 1396.23 1408.35 1430.35 1435.48 1497.76 1549.29 1560.77 1563.39 1566.54 1569.73 1597.18 1610.44 1613.46 1618.40 1623.05 1633.77 1649.41 1656.37 1664.09 1684.33 1686.61 1696.43 1721.65 1731.47 1735.26 1753.29 1754.18 1785.46 1795.18 1805.10 1818.22 1869.79 1881.70 1885.12 1905.44 1915.99 1951.74 2006.23 2007.67 2024.72 2050.29 2062.18 2080.73 2106.34 2122.65 2145.72 2157.11 2178.97 2231.88 2244.78 2254.11 2260.80 2265.90 2315.09 2319.89 2338.07 2345.99 2350.53 2351.68 2354.94 2357.43 2361.26 2363.09 2399.87 2409.70 2420.31 2451.90 2551.11 2573.78 2580.05 2583.95 2599.83 2658.56 2668.87 2875.45 4608.92 4623.82 4641.97 4643.46 4670.93 4705.68 4713.84 4714.08 4726.35 4738.80 4749.50 4754.11 4757.80 4784.71 4836.02 4844.12 4861.09 4876.47 4892.66 4942.15 4943.40 4961.28 4971.94 5416.75 5505.60 0.498105 0.526676 0.527620 0.435361 -2119.241411 -2119.212840 -2119.211896 -2119.304155 3.094382D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE Cc1ccccc1N2[C@H](NN=C2c3cc[nH+]cc3)S[C@H](C)C4=NC(=O)C5=C([C@@H](SC5=N4)C)C C39712360 RHF 6-31G(d) (6D,10F) C1 477.153128 |X|Y|Z| 53.157621 45.364832 121.714033 66.457168 28 6 7 16 20 6 2 |36.858105| |12.588905|36.858105| |7.581587|13.690058|36.858105| |5.013515|7.858989|13.764237|36.858105| |4.409782|6.785636|7.945276|13.758285|36.858105| |4.979148|7.864746|6.917983|7.975451|13.773045|36.858105| |7.458465|13.631139|7.982773|6.881741|7.910338|13.711581|36.858105| |6.407999|7.695223|5.119222|4.535626|5.158532|7.903061|13.290639|53.358707| |5.359071|5.708472|4.172921|3.756496|4.175149|5.729223|7.620698|17.723801|36.858105| |5.810095|6.155561|4.545169|4.005317|4.298698|5.587377|7.384269|12.368830|17.623584|0.500000| |5.066030|4.685490|3.513412|3.094092|3.288165|4.188197|5.447348|11.530339|13.120341|0.251785|53.358707| |5.199510|4.717215|3.513789|3.072727|3.246216|4.125873|5.434750|11.651541|8.263756|0.170788|19.119364|53.358707| |6.077782|6.037282|4.255178|3.698360|3.978354|5.334228|7.608384|18.656336|8.391467|0.173760|12.231806|20.511284|36.858105| |5.139470|5.160129|3.954284|3.504359|3.713452|4.674716|5.955940|10.212463|5.160857|0.119272|7.382558|10.993060|13.044067|36.858105| |4.340128|4.010200|3.247164|2.873416|2.949010|3.490823|4.240713|6.866897|4.043879|0.097190|6.268830|9.253511|7.705724|13.549781|36.858105| |3.547081|3.372723|2.893077|2.623017|2.673374|3.043204|3.495748|5.269907|3.183799|0.078780|4.725923|6.247134|5.125015|7.973654|13.998545|36.858105| |3.321959|3.342531|2.961369|2.761119|2.841516|3.182117|3.506654|5.037799|2.976898|0.074276|4.192443|5.271645|4.548683|6.982668|8.124624|14.176641|53.358707| |2.884288|2.901321|2.647923|2.502817|2.557222|2.790218|3.000661|4.230426|2.575779|0.065198|3.613733|4.398313|3.671809|5.109452|5.873741|9.402281|25.923939|0.500000| |3.606947|3.873568|3.428724|3.267181|3.456107|3.933239|4.233123|5.899179|3.307192|0.081948|4.438406|5.485075|5.091780|7.980679|6.951337|8.118583|19.393416|0.261903|36.858105| |4.456855|4.983659|4.102571|3.836165|4.183445|5.169156|5.895318|8.549448|4.319940|0.103634|5.631435|7.168531|7.605210|13.605593|7.896219|6.941338|11.050326|0.163041|13.937105|36.858105| |3.601139|3.985151|3.283705|3.207513|3.744526|4.924100|5.193241|9.252273|10.418810|0.228397|9.301321|7.065929|5.176680|3.853323|3.163806|2.640727|3.456935|0.062511|2.826286|3.513678|388.023441| |3.041201|3.254349|2.728182|2.674519|3.090915|3.942869|4.113151|7.505326|6.592188|0.140034|8.134208|7.202625|5.052889|4.016204|3.388014|2.844337|3.697871|0.066837|2.979926|3.635734|73.572103|36.858105| |3.319420|3.487798|2.853158|2.741297|3.128119|4.043084|4.424077|8.680030|7.043265|0.141374|9.649714|9.457053|6.464213|5.000168|4.152634|3.366720|4.288570|0.076082|3.439471|4.300929|56.632914|17.613648|0.500000| |2.649101|2.922267|2.546245|2.589086|3.071346|3.828847|3.688225|6.126685|4.735553|0.108700|5.681154|5.425522|4.096372|3.570565|3.020188|2.651073|3.578297|0.065603|2.938309|3.486439|48.801622|12.485415|0.246085|36.858105| |2.636953|2.711231|2.318668|2.252868|2.519756|3.053486|3.218996|5.557544|5.026734|0.116335|7.026519|6.069986|3.959684|3.261476|2.933252|2.504430|3.202195|0.058855|2.493295|2.917419|49.747287|12.565698|0.251266|7.477335|36.858105| |2.261598|2.343962|2.058947|2.033344|2.275398|2.683247|2.739426|4.486424|3.865148|0.094080|5.239939|4.694890|3.175345|2.737837|2.498889|2.198564|2.854709|0.053252|2.217870|2.530026|37.867189|7.947470|0.167812|6.881482|14.993852|53.358707| |2.017890|2.053545|1.825387|1.793594|1.969444|2.267038|2.329827|3.723408|3.182925|0.080219|4.459881|4.020256|2.683500|2.356174|2.210747|1.969750|2.542431|0.047923|1.942616|2.172906|28.677408|5.144067|0.121662|4.589284|8.230286|18.589297|36.858105| |1.804891|1.846556|1.666748|1.652774|1.812200|2.052090|2.077017|3.237230|2.699603|0.069252|3.717743|3.410071|2.323475|2.082888|1.963973|1.779117|2.319831|0.044125|1.771559|1.954629|23.939064|4.091172|0.098519|3.960236|5.606601|11.473692|15.990435|73.516695| |2.068805|2.052362|1.810687|1.749191|1.887813|2.166971|2.285184|3.678163|3.196565|0.081287|4.731250|4.212819|2.712158|2.361608|2.260082|1.996318|2.530409|0.047638|1.905112|2.128148|26.802901|4.536179|0.114662|3.768645|7.094677|10.657897|12.832987|14.370702|36.858105| |1.865999|1.831598|1.634262|1.575499|1.679211|1.895177|1.998558|3.147557|2.682731|0.069827|3.989558|3.613055|2.339125|2.075042|2.021223|1.809186|2.290415|0.043498|1.706603|1.878521|21.511408|3.446876|0.089927|2.981867|4.742445|6.962126|7.459340|11.352222|14.195484|36.858105| |1.912258|1.837006|1.633056|1.553731|1.633283|1.836312|1.970125|3.099953|2.644476|0.069583|4.070550|3.688737|2.341682|2.075291|2.055622|1.832344|2.289181|0.043469|1.686617|1.851948|20.054781|3.097957|0.083755|2.629495|4.027057|5.406996|4.942958|7.594291|7.920194|12.600183|36.858105| |1.803403|1.726907|1.541173|1.466290|1.536433|1.719348|1.842788|2.885505|2.404721|0.063022|3.716010|3.469602|2.211680|1.996936|2.008213|1.808442|2.252717|0.043000|1.643999|1.785376|17.920856|2.810872|0.077424|2.434718|3.543132|4.781098|4.272031|6.796289|6.184066|9.002054|17.564765|0.500000| |2.321268|2.188438|1.899773|1.777806|1.864690|2.133799|2.353293|3.820809|3.358184|0.086926|5.537837|4.878762|2.943341|2.527987|2.505748|2.168996|2.658860|0.049804|1.955977|2.186224|24.311323|3.738081|0.104441|2.971194|4.860379|5.809020|4.717161|6.761881|7.183171|7.090259|10.408918|0.221098|388.023441| |2.409592|2.349716|2.027779|1.926310|2.069484|2.415023|2.622058|4.364229|3.930951|0.097844|6.219711|5.351277|3.277855|2.762127|2.642765|2.272891|2.829394|0.052634|2.124114|2.412588|31.435715|5.303900|0.140198|3.979961|8.460819|9.515265|7.641293|9.395235|13.148792|8.118071|7.400485|0.162054|77.725591|36.858105| |2.779222|2.740998|2.313772|2.191807|2.386631|2.865385|3.151619|5.507094|5.169113|0.121182|8.337207|6.875679|4.115476|3.319193|3.079552|2.580862|3.208728|0.058831|2.443674|2.850619|42.391031|7.840135|0.207932|5.050193|13.681113|10.815362|6.698595|8.393217|7.898713|5.367718|4.969438|0.118148|50.771575|14.933762|53.358707| |1.801534|1.725870|1.551308|1.476264|1.538510|1.707007|1.824825|2.810727|2.397447|0.064842|3.612020|3.241295|2.090979|1.857045|1.834044|1.645774|2.069315|0.039470|1.528081|1.672052|18.040709|2.641798|0.070874|2.281829|3.270843|4.420798|3.904765|6.332744|5.395489|7.493216|12.417564|0.246002|48.512181|5.114808|5.267785|36.858105| |1.635213|1.617822|1.465261|1.425830|1.518347|1.689956|1.755486|2.706205|2.254639|0.059360|3.265541|3.009577|1.997202|1.806175|1.762469|1.604695|2.054589|0.039373|1.531186|1.664706|18.131805|2.862335|0.074412|2.610537|3.701497|5.706662|6.002252|11.242406|7.504844|12.715287|7.358371|0.185161|32.857224|5.021551|5.264451|6.097931|36.858105| |17.587778|8.783415|5.708592|4.214887|3.936721|4.618195|6.842765|9.422736|6.543007|0.204401|8.888937|8.449337|6.606185|5.014523|4.302253|3.410928|4.231955|0.075037|3.318018|4.118300|28.841496|3.347279|0.101709|2.807589|2.936413|3.365404|2.206671|3.468059|2.294122|2.058835|2.127800|0.055281|18.815027|2.729651|4.326427|2.000887|1.780011|0.500000| |17.523844|8.794847|6.123634|4.370962|3.930995|4.430164|6.296520|7.979954|4.707583|0.131656|6.493177|7.357789|6.422164|6.039806|5.303867|4.271708|5.310600|0.092608|4.132759|5.039413|23.283520|2.924881|0.090745|2.569345|2.546824|2.978459|1.958766|3.118715|2.013510|1.822763|1.874497|0.049604|16.185650|2.345094|3.667435|1.751711|1.599284|0.302301|0.500000| |17.600869|8.887816|7.295039|4.782618|3.984038|4.189558|5.583505|6.489014|4.287845|0.133176|5.576198|5.568090|4.524927|4.028218|3.590604|3.071216|3.954701|0.071835|3.099773|3.639040|22.078686|2.630449|0.078201|2.327037|2.336761|2.774766|1.845911|2.962199|1.898649|1.734584|1.787018|0.046904|15.210932|2.184526|3.355457|1.707000|1.533118|0.302613|0.303174|0.500000| |7.086155|8.938684|17.715220|8.950504|5.656944|4.975259|5.665689|5.638182|3.549667|0.108015|4.264107|4.276557|3.659637|3.476191|2.992840|2.712874|3.747960|0.069418|3.088718|3.542548|20.179549|2.403148|0.069780|2.240131|2.093283|2.548740|1.683697|2.745827|1.684488|1.536853|1.548352|0.040738|12.750127|1.880725|2.877966|1.482137|1.383602|0.146760|0.163803|0.224425|0.500000| |4.101344|5.618321|8.933257|17.725311|8.910378|5.659121|4.957229|4.915685|3.114925|0.092210|3.596373|3.571996|3.069518|2.968843|2.516961|2.348470|3.382817|0.063747|2.888998|3.251562|19.571248|2.339790|0.066139|2.292998|2.009773|2.503340|1.640457|2.711527|1.599514|1.453195|1.433873|0.037706|11.529232|1.743253|2.662641|1.371401|1.326406|0.097574|0.102075|0.113994|0.216486|0.500000| |3.531657|4.907661|5.644452|8.895985|17.730889|8.923155|5.634830|5.705283|3.561133|0.100791|3.900920|3.843133|3.364252|3.202031|2.609145|2.413625|3.527373|0.065844|3.129634|3.644009|24.292591|2.888838|0.079800|2.974370|2.377979|2.981090|1.901082|3.144223|1.801680|1.607182|1.550832|0.040591|12.402318|1.944166|3.021495|1.464262|1.467559|0.089811|0.089602|0.090722|0.124263|0.214014|0.500000| |4.072786|5.628652|4.976744|5.654227|8.896849|17.730868|8.962297|10.036174|5.701309|0.145537|5.636429|5.518046|5.110758|4.481279|3.368325|2.952682|4.216243|0.075759|3.830210|4.987552|39.779907|4.573638|0.126858|4.681446|3.388239|4.074372|2.471267|3.975289|2.311146|1.996291|1.904179|0.049433|15.620832|2.550687|4.163670|1.755189|1.782056|0.109757|0.103908|0.096501|0.107927|0.124078|0.214199|0.500000| |4.028900|3.774608|2.982376|2.693280|2.873915|3.561105|4.319611|8.329342|9.029337|0.193889|25.866035|13.154657|6.473593|4.486945|4.026356|3.142671|3.797147|0.067836|2.906487|3.554805|47.783286|6.475931|0.206663|4.291396|6.280848|6.058613|3.814937|5.486158|4.201653|3.455943|3.546436|0.088355|36.561265|5.976347|11.741427|3.064974|2.735076|0.138262|0.106916|0.094935|0.075034|0.065130|0.071301|0.100561|0.500000| |4.250922|3.725883|3.011050|2.639580|2.683092|3.153859|3.859362|6.387210|4.049841|0.097950|6.772988|10.292817|7.104668|8.841474|17.789544|9.011765|7.820666|0.128149|4.998361|5.621570|22.291561|3.355914|0.114195|2.900608|3.009086|3.457407|2.277789|3.571109|2.381624|2.141961|2.217199|0.060350|19.649820|2.837967|4.467268|1.969282|1.848046|0.122746|0.142483|0.098971|0.078275|0.064681|0.066185|0.084674|0.122864|0.500000| |3.108513|2.901849|2.541246|2.311674|2.332706|2.604978|2.952264|4.407730|2.779662|0.069833|4.181338|5.343803|4.130350|5.627242|8.884299|17.776530|12.587900|0.229258|5.798013|4.995467|16.711523|2.536767|0.082118|2.368357|2.297238|2.775788|1.856879|2.998361|1.898407|1.742065|1.779011|0.049231|14.859915|2.148393|3.255890|1.601161|1.552755|0.083916|0.102677|0.076841|0.067416|0.058365|0.059150|0.070418|0.078995|0.212688|0.500000| |3.179843|3.503666|3.252626|3.218186|3.425747|3.744242|3.805238|5.084220|2.927820|0.073818|3.844945|4.548780|4.101733|5.633634|5.000154|5.794389|12.617613|0.229708|17.773039|8.872891|18.422876|2.711988|0.084597|2.755269|2.283367|2.814167|1.818253|2.979578|1.766790|1.589975|1.562032|0.042326|12.682426|1.940183|3.006463|1.423740|1.441302|0.080829|0.098349|0.077859|0.081785|0.080624|0.088484|0.102152|0.070888|0.108432|0.128626|0.500000| |4.436937|5.475192|4.585960|4.508110|5.249908|6.827633|7.116638|9.393281|4.561207|0.110205|5.511243|6.523552|6.913980|8.819881|5.610389|4.995109|7.837655|0.128438|9.033464|17.808357|27.112887|3.807672|0.121043|3.760903|2.969588|3.528655|2.201008|3.532971|2.123561|1.864461|1.819207|0.048366|15.135641|2.384162|3.851217|1.651797|1.659335|0.112997|0.130863|0.101107|0.105492|0.103445|0.125400|0.184424|0.096544|0.123216|0.108394|0.213862|0.500000| |2.819799|3.212649|2.805187|2.902235|3.553555|4.552016|4.195358|6.818256|4.832901|0.110841|5.557720|5.489982|4.419669|3.940966|3.212208|2.834873|3.920676|0.071388|3.330070|4.030245|45.629743|8.870043|0.215778|17.575416|5.488623|6.755701|3.644808|5.750238|3.137457|2.570750|2.326601|0.060392|18.775134|3.359206|5.694432|2.052175|2.277704|0.081352|0.076120|0.068248|0.067509|0.070693|0.095975|0.164122|0.110942|0.083310|0.069205|0.087445|0.125860|0.500000| |2.401696|2.596914|2.284801|2.311733|2.688100|3.254833|3.177664|5.205816|3.928327|0.091680|5.026744|4.990644|3.697446|3.370605|2.950075|2.638180|3.557176|0.065814|2.867749|3.296033|36.197329|8.841963|0.210655|17.586261|6.870742|9.367488|4.729588|7.381492|3.815455|3.034927|2.645896|0.069144|20.855206|3.914592|6.505366|2.261138|2.685342|0.070324|0.065815|0.059044|0.056582|0.057548|0.072721|0.106949|0.107185|0.078923|0.066160|0.074942|0.096017|0.299808|0.500000| |2.437422|2.697160|2.401521|2.475026|2.935767|3.548718|3.335681|5.277461|4.200475|0.101343|4.965214|4.601508|3.451493|3.023871|2.599874|2.314440|3.138744|0.058275|2.562736|2.983242|45.713455|8.786496|0.173243|17.626157|6.696203|9.614381|4.760361|7.568243|3.737581|2.975295|2.575725|0.065703|20.076362|3.768567|6.201947|2.271386|2.657802|0.071637|0.064902|0.060430|0.059029|0.061590|0.080521|0.119869|0.104937|0.069885|0.058117|0.067789|0.089980|0.300559|0.302898|0.500000| |1.637849|1.580116|1.433301|1.373115|1.431848|1.577122|1.669182|2.544279|2.137082|0.057860|3.166213|2.883024|1.887973|1.698335|1.679458|1.523503|1.928522|0.036989|1.423636|1.545784|16.217536|2.388686|0.063861|2.115575|2.917928|4.058676|3.632876|6.170411|4.734424|6.755909|8.799494|0.213908|36.088671|4.215925|4.501884|17.580849|6.695864|0.050006|0.044344|0.043279|0.038109|0.035616|0.038091|0.045150|0.073347|0.049726|0.041302|0.037063|0.042502|0.052993|0.058708|0.058966|0.500000| |1.806537|1.708711|1.536265|1.451430|1.499369|1.656846|1.785424|2.738151|2.319705|0.063168|3.541070|3.200595|2.055230|1.832536|1.828156|1.641748|2.052149|0.039192|1.505486|1.641633|16.928395|2.447961|0.066776|2.112046|2.942490|3.884716|3.289490|5.333005|4.354882|5.486834|8.809732|0.212168|45.693586|4.444835|4.791285|17.592151|4.613392|0.055838|0.048949|0.047814|0.041028|0.037510|0.039493|0.046909|0.082726|0.054962|0.044620|0.038882|0.044799|0.053445|0.058022|0.057895|0.302183|0.500000| |1.870667|1.800607|1.619309|1.543239|1.610603|1.787242|1.906826|2.927579|2.539158|0.069524|3.765560|3.302702|2.141256|1.879349|1.832500|1.636622|2.067606|0.039332|1.539387|1.696442|19.393769|2.755443|0.072735|2.364530|3.410523|4.603340|4.024304|6.490220|5.414210|6.820694|8.773772|0.173188|44.929527|5.176945|5.447032|17.586828|5.564009|0.057973|0.049995|0.049313|0.042893|0.039787|0.042575|0.051047|0.088764|0.054364|0.043932|0.039894|0.046905|0.058993|0.064083|0.066113|0.300087|0.301269|0.500000| |1.597511|1.596053|1.449670|1.420740|1.523285|1.696157|1.744808|2.685805|2.213383|0.057849|3.163242|2.945334|1.976992|1.801156|1.750004|1.602056|2.065638|0.039653|1.544984|1.675197|18.094842|2.926576|0.075428|2.746412|3.771824|6.118502|6.657711|14.254743|6.983784|8.912322|5.500258|0.144524|28.270422|4.617011|5.084093|4.565049|17.675999|0.047981|0.043487|0.041489|0.037893|0.036734|0.041115|0.050091|0.072922|0.050533|0.042967|0.040560|0.046536|0.066006|0.079830|0.078334|0.134993|0.102232|0.119995|0.500000| |1.547376|1.520244|1.381251|1.340120|1.417590|1.568765|1.634932|2.506659|2.063113|0.054488|3.015498|2.817634|1.869016|1.708455|1.686882|1.546351|1.974224|0.038000|1.459646|1.573911|16.166550|2.536392|0.067263|2.325160|3.175261|4.733999|4.606728|8.481957|5.680274|8.915947|7.059635|0.204536|30.620580|4.289083|4.597695|6.095036|17.579576|0.046640|0.042272|0.040469|0.036422|0.034743|0.038041|0.045661|0.069580|0.049333|0.041885|0.038185|0.043319|0.057209|0.066762|0.065048|0.202665|0.132839|0.142718|0.298188|0.500000| 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