Version2.1 2021-01-25T18:04:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 16-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(cc(c1)[N+](=O)[O-])[C@H]2[C@@H]3CC=C[C@H]3c4cc(ccc4N2)S(=O)(=O)NC[C@@H]5CCCO5 C20705541 RHF 6-31G(d) (6D,7F) c1cc(cc(c1)[N+](=O)[O-])[C@H]2[C@@H]3CC=C[C@H]3c4cc(ccc4N2)S(=O)(=O)NC[C@@H]5CCCO5 C01[X(C23H25N3O5S1)] 165 C1 534 [O-][N+](=O)c1cccc(c1)[C@@H]1Nc2ccc(cc2[C@H]2[C@H]1CC=C2)S(=O)(=O)NC[C@@H]1CCCO1 [O-][N+](=O)c1cccc(c1)[C@@H]1Nc2ccc(cc2[C@H]2[C@H]1CC=C2)S(=O)(=O)NC[C@@H]1CCCO1 [O-][N+](=O)c1cccc(c1)[C@@H]2Nc3ccc(cc3[C@@H]4C=CC[C@@H]24)[S](=O)(=O)NC[C@@H]5CCCO5 InChIKey=OAWOGTXRYQBUQW-CLWLKPMESA-N InChI=1S/C23H25N3O5S/c27-26(28)16-5-1-4-15(12-16)23-20-8-2-7-19(20)21-13-18(9-10-22(21)25-23)32(29,30)24-14-17-6-3-11-31-17/h1-2,4-5,7,9-10,12-13,17,19-20,23-25H,3,6,8,11,14H2/t17-,19+,20+,23-/m0/s1 InChI=1/C23H25N3O5S/c27-26(28)16-5-1-4-15(12-16)23-20-8-2-7-19(20)21-13-18(9-10-22(21)25-23)32(29,30)24-14-17-6-3-11-31-17/h1-2,4-5,7,9-10,12-13,17,19-20,23-25H,3,6,8,11,14H2/t17-,19+,20+,23-/m0/s1 c1cc(cc(c1)[N+](=O)[O-])[C@H]2[C@@H]3CC=C[C@H]3c4cc(ccc4N2)S(=O)(=O)NC[C@@H]5CCCO5 C01[X(C23H25N3O5S1)] 165 C01 534 [O-][N+](=O)c1cccc(c1)[C@@H]1Nc2ccc(cc2[C@H]2[C@H]1CC=C2)S(=O)(=O)NC[C@@H]1CCCO1 [O][N]([O])[C]1[CH][CH][CH][C]([CH]1)[C@@H]1N[C]2[CH][CH][C]([CH][C]2[C@H]2[C@H]1CC=C2)S(=O)(=O)NC[C@@H]1CCCO1 [O]N([O])[C]1[CH][CH][CH][C]([CH]1)[C@@H]2N[C]3[CH][CH][C]([CH][C]3[C@@H]4C=CC[C@@H]24)[S](=O)(=O)NC[C@@H]5CCCO5 InChIKey=OAWOGTXRYQBUQW-CLWLKPMESA-N InChI=1S/C23H25N3O5S/c27-26(28)16-5-1-4-15(12-16)23-20-8-2-7-19(20)21-13-18(9-10-22(21)25-23)32(29,30)24-14-17-6-3-11-31-17/h1-2,4-5,7,9-10,12-13,17,19-20,23-25H,3,6,8,11,14H2/t17-,19+,20+,23-/m0/s1 InChI=1/C23H25N3O5S/c27-26(28)16-5-1-4-15(12-16)23-20-8-2-7-19(20)21-13-18(9-10-22(21)25-23)32(29,30)24-14-17-6-3-11-31-17/h1-2,4-5,7,9-10,12-13,17,19-20,23-25H,3,6,8,11,14H2/t17-,19+,20+,23-/m0/s1 3322.3647189964 -1820.4852631 1-A 22231.3244 120 414 534 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.19503 -20.60745 -20.60732 -20.56596 -20.53916 -20.53816 -15.86220 -15.59352 -15.58660 -11.31094 -11.30524 -11.29918 -11.28885 -11.28183 -11.27696 -11.27669 -11.27397 -11.27208 -11.26952 -11.26799 -11.25921 -11.25842 -11.25469 -11.25091 -11.24933 -11.24885 -11.24265 -11.24155 -11.23992 -11.23815 -11.23813 -11.23730 -9.16620 -6.85280 -6.85230 -6.85118 -1.64088 -1.46431 -1.42417 -1.39606 -1.33993 -1.28249 -1.23358 -1.21054 -1.17073 -1.16600 -1.10807 -1.07975 -1.07841 -1.05728 -1.04593 -1.03372 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1445.10 1455.69 1472.69 1479.05 1513.81 1517.15 1560.21 1562.67 1570.71 1571.94 1575.94 1593.58 1631.77 1642.67 1657.13 1662.80 1701.19 1722.28 1729.10 1744.94 1759.20 1771.49 1773.92 1778.52 1793.90 1799.91 1808.33 1813.99 1821.01 1849.34 1864.11 1893.70 1907.57 1911.32 1916.78 1940.41 1943.94 1970.34 2000.80 2012.07 2031.80 2057.32 2062.87 2077.00 2095.49 2106.11 2116.33 2121.17 2144.00 2152.27 2156.91 2171.62 2201.06 2225.51 2234.97 2249.87 2258.58 2315.86 2328.79 2352.29 2361.07 2361.98 2374.90 2381.25 2386.51 2390.03 2393.35 2431.28 2546.91 2563.74 2594.48 2595.66 2634.57 2688.96 4498.21 4568.12 4576.33 4596.74 4619.57 4621.56 4626.06 4637.62 4643.57 4686.32 4705.90 4716.81 4730.00 4754.21 4833.38 4858.72 4864.33 4889.53 4890.39 4898.98 4907.48 4929.15 4949.84 5481.99 5545.57 0.496245 0.522340 0.523284 0.434477 -1819.989018 -1819.962923 -1819.961979 -1820.050786 2.978601D-04 MUNgauss RevisionA2.0 retrievium 25-Jan-2021 DUDE c1cc(cc(c1)[N+](=O)[O-])[C@H]2[C@@H]3CC=C[C@H]3c4cc(ccc4N2)S(=O)(=O)NC[C@@H]5CCCO5 C20705541 RHF 6-31G(d) (6D,10F) C1 455.151493 |X|Y|Z| 54.447523 40.279589 132.831700 66.291060 27 6 7 8 16 23 2 1 1 |36.858105| |13.769385|36.858105| |7.877212|13.671339|36.858105| |6.870945|7.973067|13.758970|36.858105| |8.036323|6.969008|7.965430|13.756993|36.858105| |13.753614|7.930067|6.793419|7.865097|13.806333|36.858105| |5.139725|4.543667|5.122416|7.784770|13.055550|7.789697|53.358707| |4.102023|3.919903|4.683472|7.097867|8.375310|5.427627|21.718951|73.516695| |4.683697|3.914421|4.085130|5.424543|8.378750|7.096149|21.727801|16.018734|73.516695| |4.990042|7.494321|12.527873|7.571307|5.030129|4.405217|5.225796|6.726176|5.631871|36.858105| |4.201596|5.610801|8.981449|7.434624|4.833437|3.994853|5.323575|7.220025|5.634052|17.498975|0.500000| |4.238356|5.872152|7.491684|5.453247|4.083554|3.733521|4.456999|5.755063|4.955556|12.495574|0.247421|36.858105| |4.539250|6.410560|6.882970|4.857825|3.888398|3.778523|4.195152|5.260592|4.779407|8.980460|0.175268|17.524111|0.500000| |3.812137|4.746107|5.885635|5.125071|4.008459|3.575100|4.573667|6.020445|5.084903|7.142998|0.181639|12.423967|0.249334|36.858105| |3.014388|3.614483|4.127371|3.652692|3.040535|2.811414|3.614026|4.780512|4.152736|5.047058|0.132291|8.124917|0.195826|12.546178|36.858105| |2.825919|3.447104|3.900504|3.349990|2.775205|2.591910|3.291918|4.354728|3.800680|5.118327|0.133879|8.096543|0.196439|8.079475|14.414342|36.858105| |3.213743|4.134966|4.914671|3.975934|3.142286|2.899165|3.627278|4.791620|4.118823|7.628187|0.193335|12.433510|0.249545|7.899178|8.189265|12.579599|36.858105| |2.986282|3.748310|4.639822|3.973996|3.099889|2.780737|3.660599|4.957791|4.119785|7.177833|0.216989|8.881424|0.175555|6.870073|6.790431|9.017479|17.428491|0.500000| |3.082674|3.967686|4.396594|3.485397|2.844294|2.710224|3.278665|4.268023|3.785780|6.443983|0.156831|7.673733|0.202372|5.073620|5.181798|7.170030|12.633378|0.251499|36.858105| |2.573037|3.153842|3.351399|2.784898|2.363866|2.286417|2.793224|3.639550|3.283986|4.397398|0.112308|5.094436|0.142199|3.927233|4.321266|5.990089|7.449569|0.172477|13.834944|36.858105| |2.396931|2.878935|2.966930|2.493026|2.163058|2.123723|2.572210|3.331443|3.058221|3.691751|0.094817|3.937038|0.112539|3.124843|3.306080|4.176396|4.981260|0.124156|7.906924|13.691534|36.858105| |2.574326|3.109306|3.154943|2.619808|2.278750|2.255789|2.686180|3.453015|3.195493|3.862170|0.098086|3.811603|0.109491|2.962208|2.971198|3.568972|4.439139|0.113195|6.830848|7.930588|13.753254|36.858105| |3.092178|3.891868|3.987016|3.180302|2.702480|2.663839|3.111233|3.976778|3.654567|5.047213|0.123813|4.602399|0.131119|3.370706|3.209085|3.773816|5.062583|0.128701|7.875016|6.889547|7.957635|13.799595|36.858105| |3.511697|4.685015|5.120760|3.871775|3.134067|3.015025|3.532198|4.538269|4.064556|7.549233|0.173162|6.874048|0.187474|4.456344|4.111792|4.948845|7.708707|0.184521|13.528625|7.927535|6.847821|7.901870|13.663891|36.858105| |4.469141|6.504203|7.799473|5.278289|4.017485|3.783631|4.323731|5.499053|4.852633|13.069419|0.251371|7.975278|0.204798|4.950599|4.098732|4.513743|6.820053|0.173412|7.825267|5.179656|4.572829|5.196051|7.942773|13.757440|53.358707| |1.981272|2.293639|2.335167|2.030316|1.806010|1.783619|2.192652|2.846475|2.642061|2.765232|0.072684|2.963958|0.084781|2.522902|2.735779|3.342149|3.601387|0.092863|4.731042|6.962232|10.795978|6.952002|4.734199|4.190215|4.372480|388.023441| |1.859593|2.124380|2.149684|1.889590|1.697676|1.682447|2.074699|2.691571|2.513511|2.493058|0.066163|2.568858|0.073023|2.200495|2.320280|2.740230|3.001358|0.079470|3.834166|4.966909|7.388039|6.512058|4.433763|3.690382|3.985854|94.665778|73.516695| |1.850874|2.129688|2.207298|1.950405|1.731048|1.690510|2.123884|2.782927|2.555086|2.626285|0.070434|2.878706|0.080505|2.530209|2.834210|3.515274|3.606613|0.095047|4.420925|6.452814|7.374962|4.994389|3.855209|3.693464|3.981489|94.705542|13.541705|73.516695| |1.949559|2.229073|2.209901|1.919680|1.734495|1.740682|2.102635|2.703309|2.556039|2.539168|0.065540|2.774251|0.082160|2.406212|2.628239|3.124889|3.219882|0.080696|4.025047|5.423391|6.927231|5.288730|3.975460|3.613767|3.932027|82.840856|13.764881|13.875417|53.358707| |2.006240|2.274536|2.197649|1.899884|1.737410|1.771185|2.096171|2.668402|2.565060|2.462494|0.062739|2.632268|0.079525|2.269729|2.408536|2.775224|2.912320|0.072742|3.617963|4.453634|5.674508|5.128904|3.964593|3.471215|3.866214|50.339079|11.314065|8.884768|17.829966|36.858105| |1.851875|2.057976|1.970253|1.725874|1.600966|1.643982|1.946151|2.470303|2.401782|2.156956|0.055126|2.326483|0.070626|2.068115|2.208901|2.481265|2.514584|0.063003|2.957310|3.480454|4.012270|3.674796|3.079840|2.819746|3.279171|34.138973|7.827372|7.021154|10.737146|12.558067|36.858105| |1.684161|1.859371|1.799179|1.594632|1.481697|1.512372|1.817306|2.318460|2.246250|1.970091|0.050991|2.117733|0.063273|1.907746|2.049364|2.298412|2.308279|0.058698|2.675122|3.162962|3.625818|3.286170|2.752283|2.532687|2.966405|32.766251|7.738054|7.032736|9.878081|8.945830|17.540650|0.500000| |1.837297|2.008943|1.888143|1.660559|1.561849|1.625055|1.899763|2.393411|2.363516|2.017478|0.051389|2.137064|0.065240|1.908398|1.994667|2.187129|2.237169|0.056356|2.587878|2.899340|3.287328|3.209648|2.807873|2.556333|3.062548|25.837925|6.281195|5.419244|6.802209|7.422622|12.472508|0.244813|36.858105| |1.762954|1.904807|1.785406|1.583244|1.501049|1.567091|1.834463|2.307498|2.293532|1.885933|0.048094|2.025084|0.062041|1.848847|1.947897|2.101332|2.095764|0.052704|2.347975|2.586750|2.796561|2.681634|2.422425|2.284289|2.792175|21.564241|5.092885|4.775177|5.501677|5.114336|8.042298|0.187861|12.456819|36.858105| |1.889127|2.064917|1.943291|1.710564|1.608921|1.672795|1.955992|2.463527|2.431899|2.073939|0.052545|2.287668|0.070932|2.095459|2.251430|2.443110|2.384080|0.058988|2.654793|2.952648|3.096114|2.863343|2.593210|2.509650|3.040089|23.565094|5.266589|5.313759|6.213980|5.395749|8.147204|0.180230|8.025543|12.459121|36.858105| |1.922627|2.139882|2.045685|1.788025|1.657689|1.703489|2.010323|2.548631|2.478821|2.238073|0.056829|2.484315|0.076481|2.237950|2.436919|2.727561|2.675945|0.065937|3.069925|3.583589|3.853815|3.415145|2.966528|2.839625|3.329141|30.933943|6.617247|6.807865|9.305201|8.004096|13.470665|0.259350|8.138315|8.108285|13.489944|73.516695| |17.732769|8.926389|5.621893|4.952174|5.690355|8.937287|5.669383|6.052559|7.160471|4.074939|0.096504|3.640360|0.111414|3.296364|2.722508|2.578485|2.874676|0.073654|2.825849|2.420638|2.293253|2.469989|2.912695|3.197785|5.268063|13.675978|3.226649|3.172263|2.615521|2.006924|1.871900|0.047113|1.885106|1.817397|1.934105|3.452828|0.500000| |8.941758|17.734498|8.924278|5.667587|5.003071|5.649353|4.923170|5.727516|5.721174|6.967575|0.141099|5.949622|0.199839|4.522979|3.634862|3.586414|4.339021|0.105227|4.415502|3.511036|3.237354|3.543085|4.499688|5.364509|9.661026|18.023169|4.148960|4.106425|3.390852|2.578467|2.312687|0.057262|2.262300|2.127583|2.316465|4.278398|0.215788|0.500000| |4.956036|5.647841|8.880582|17.775598|8.958202|5.636054|9.842608|14.307299|8.869163|6.982990|0.226945|5.188687|0.121716|5.119740|3.685574|3.379279|3.997449|0.116660|3.412144|2.741077|2.435278|2.529153|3.028532|3.690879|6.610241|14.192528|3.302635|3.453953|2.537123|1.821853|1.652651|0.042732|1.577963|1.503923|1.624734|3.038068|0.107596|0.124118|0.500000| |8.860535|5.632988|4.916337|5.625483|8.939501|17.789851|9.787236|8.834967|14.194005|3.531056|0.091013|3.103526|0.087687|3.036036|2.470337|2.281559|2.499313|0.066913|2.357081|2.032585|1.907540|2.020213|2.341161|2.589945|4.266199|11.592612|2.751269|2.752991|2.179547|1.635894|1.533328|0.039337|1.527267|1.481592|1.570927|2.820377|0.213521|0.123970|0.124454|0.500000| |3.564886|4.291510|5.611577|5.432253|4.147342|3.512393|4.906521|6.734842|5.340129|6.663334|0.195958|8.690099|0.174287|17.477044|8.829312|6.457365|6.609008|0.187433|4.431532|3.504110|2.848871|2.728653|3.102332|4.012452|6.191923|16.589528|3.672211|4.198143|2.982987|2.062722|1.880174|0.048652|1.740892|1.682526|1.882182|3.570943|0.084770|0.109557|0.164773|0.083322|0.500000| |4.224349|5.070457|5.899023|5.279282|4.354680|3.972465|4.905370|6.270710|5.503793|6.044997|0.148796|8.672932|0.222128|17.568742|8.701880|5.924109|5.677101|0.138400|4.182252|3.372173|2.786617|2.683349|3.041543|3.862127|5.941167|16.336059|3.602212|4.055189|3.049713|2.151936|1.992253|0.050913|1.865488|1.827335|2.068624|3.853617|0.101296|0.130996|0.139008|0.093624|0.302318|0.500000| |2.714133|3.130339|3.471907|3.191202|2.756481|2.571978|3.358796|4.449164|3.918442|3.982460|0.106279|5.655713|0.146408|8.333759|17.723223|8.941477|5.657707|0.139894|4.076554|3.619917|2.876813|2.586315|2.736188|3.351824|4.543658|17.641264|3.768011|4.625832|3.302605|2.226647|2.085073|0.054174|1.889922|1.873484|2.171200|4.126210|0.069103|0.086944|0.089675|0.063953|0.191326|0.201769|0.500000| |2.460068|2.925129|3.217948|2.821946|2.400217|2.267469|2.898206|3.838631|3.392401|4.051747|0.107961|5.636906|0.146773|5.610766|8.938243|17.732228|8.285828|0.191030|6.237900|6.135513|4.276669|3.488753|3.503204|4.322737|5.163494|25.606683|5.115365|7.066064|4.590385|2.893234|2.600262|0.067644|2.245187|2.164393|2.541034|5.129900|0.063434|0.085251|0.079244|0.056299|0.134539|0.125989|0.206538|0.500000| |2.347382|2.815982|2.999838|2.560174|2.195478|2.116436|2.631563|3.449365|3.107224|3.827648|0.100161|4.613390|0.127393|3.840465|4.538159|6.575128|6.830492|0.162294|8.960206|17.742663|8.937233|5.654929|4.963304|5.636839|5.692680|47.480665|8.161832|13.168166|7.377439|4.193645|3.420643|0.088205|2.796230|2.551665|2.964342|6.449525|0.061542|0.085478|0.070733|0.052706|0.095524|0.091426|0.108030|0.213901|0.500000| |2.353672|2.766187|2.763992|2.345903|2.081102|2.077293|2.481118|3.183595|2.981200|3.243041|0.083625|3.156774|0.090790|2.544573|2.547702|2.979155|3.552065|0.092631|4.933175|5.644927|8.927928|17.752227|8.934372|5.631231|5.725550|47.100818|13.344030|8.198342|7.044684|5.345008|3.766549|0.094539|3.349838|2.720621|2.810968|5.928656|0.063558|0.086757|0.062921|0.052294|0.065870|0.065102|0.062834|0.081815|0.124417|0.500000| |3.196014|3.953468|3.949394|3.185867|2.753192|2.745097|3.166127|4.014627|3.739326|4.674103|0.115877|4.017360|0.114469|3.037252|2.823644|3.193266|4.132466|0.108149|5.612491|4.959710|5.656349|8.943363|17.706189|8.898581|9.903617|27.816032|6.904576|5.752373|4.638839|3.531073|2.819551|0.070340|2.659517|2.293768|2.401340|4.768154|0.084238|0.126207|0.083374|0.067245|0.078886|0.077849|0.067928|0.082188|0.107686|0.215654|0.500000| |4.486361|6.216744|7.151092|5.187480|4.061587|3.844900|4.396867|5.565843|4.955396|9.104402|0.210772|5.758298|0.151220|4.057131|3.403574|3.668303|5.096823|0.137474|5.806924|4.314315|4.072171|4.863407|7.474910|9.406444|26.044633|21.098632|4.977639|4.765602|3.626532|2.663107|2.266502|0.057254|2.148781|1.948700|2.084113|4.024606|0.108345|0.181484|0.132128|0.088947|0.107522|0.102765|0.079542|0.088440|0.098741|0.114729|0.224380|0.500000| |1.971725|2.256052|2.240661|1.946647|1.757248|1.761615|2.129546|2.738746|2.586782|2.577789|0.066318|2.899786|0.086529|2.549505|2.855390|3.420814|3.389222|0.083585|4.115243|5.553561|6.218234|4.643178|3.704620|3.545988|3.899668|61.033989|10.154360|13.229793|25.908517|9.160635|7.324680|0.185752|4.697032|4.091535|4.988397|13.920306|0.053902|0.069909|0.052520|0.044983|0.063856|0.065949|0.073741|0.105000|0.165236|0.120511|0.087828|0.072333|0.500000| |2.254194|2.586550|2.461669|2.090755|1.906212|1.957931|2.271513|2.872546|2.772721|2.757773|0.068923|2.942621|0.090897|2.479949|2.592908|2.982265|3.198582|0.078384|4.071191|4.858393|6.152636|5.902554|4.649870|4.011907|4.417512|44.459825|9.823021|7.980691|12.254375|17.512488|8.911159|0.174782|6.866801|4.912584|5.322487|12.820865|0.062844|0.083231|0.055105|0.049918|0.061906|0.065526|0.065772|0.084436|0.121169|0.164951|0.114163|0.083959|0.208920|0.500000| |1.906872|2.146123|2.079448|1.812479|1.663499|1.693877|2.017795|2.572832|2.474740|2.316550|0.059631|2.415173|0.071868|2.085862|2.182870|2.494263|2.657758|0.067759|3.290725|3.964492|5.212498|5.067323|3.856375|3.259442|3.667978|47.484308|13.010164|8.256641|12.554102|17.619194|8.890365|0.215248|6.684146|4.497007|4.365211|10.206247|0.053019|0.067034|0.048428|0.043618|0.053336|0.054937|0.056104|0.071692|0.102370|0.160138|0.098153|0.071599|0.180499|0.299967|0.500000| |2.013449|2.207755|2.045552|1.781444|1.677227|1.759359|2.023296|2.534329|2.516450|2.172351|0.054758|2.280898|0.070422|2.009280|2.069996|2.262421|2.352896|0.058891|2.750045|3.021487|3.440659|3.479943|3.091656|2.779967|3.339807|25.529070|6.222661|5.256881|6.415529|7.151350|8.812020|0.174303|17.528721|8.808940|6.842707|12.069838|0.057783|0.070019|0.046645|0.045811|0.050691|0.054760|0.054021|0.063544|0.079045|0.100990|0.082204|0.065302|0.122345|0.216239|0.180325|0.500000| |1.705680|1.851496|1.748588|1.551449|1.464532|1.520706|1.793148|2.263903|2.237055|1.861643|0.047849|1.945441|0.058638|1.744553|1.812958|1.981250|2.037958|0.052029|2.347891|2.619007|2.999072|2.978003|2.601834|2.343211|2.827680|23.993872|6.117550|5.059264|5.998690|6.211147|8.716835|0.219785|17.587976|8.659612|5.707426|10.362262|0.048593|0.057372|0.041109|0.039875|0.044643|0.047315|0.047809|0.056462|0.070122|0.088516|0.069454|0.055745|0.111856|0.153896|0.177843|0.301150|0.500000| |1.775781|1.896692|1.758178|1.563639|1.495992|1.575586|1.828813|2.288561|2.298791|1.829851|0.046557|1.950317|0.059957|1.788328|1.861814|1.980879|1.982672|0.049947|2.197912|2.366646|2.531299|2.477449|2.289974|2.168338|2.696303|18.910967|4.514474|4.212491|4.595901|4.186132|5.713956|0.136971|8.661676|17.584195|8.704559|10.376114|0.051365|0.058822|0.041055|0.041601|0.045254|0.049572|0.049855|0.056036|0.064356|0.069780|0.061064|0.052580|0.094665|0.117185|0.105521|0.216859|0.194184|0.500000| 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