Version2.0 2020-04-15T09:19:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 06-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)C[C@@H](C[NH+](CCN2CCOCC2)Cc3[nH]c(=O)c4c(csc4n3)c5ccccc5)O C36205465 RHF 6-31G(d) (6D,7F) c1ccc(cc1)C[C@@H](C[NH+](CCN2CCOCC2)Cc3[nH]c(=O)c4c(csc4n3)c5ccccc5)O C01[X(C28H33N4O3S1)] 201 C1 610 O[C@H](C[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccccc1)CCN1CCOCC1)Cc1ccccc1 O[C@H](C[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccccc1)CCN1CCOCC1)Cc1ccccc1 O[C@H](C[NH+](CCN1CCOCC1)CC2=Nc3scc(c4ccccc4)c3C(=O)N2)Cc5ccccc5 InChIKey=FTSNZMQFBOXHSD-QHCPKHFHSA-O InChI=1S/C28H32N4O3S/c33-23(17-21-7-3-1-4-8-21)18-32(12-11-31-13-15-35-16-14-31)19-25-29-27(34)26-24(20-36-28(26)30-25)22-9-5-2-6-10-22/h1-10,20,23,33H,11-19H2,(H,29,30,34)/p+1/t23-/m0/s1 InChI=1/C28H32N4O3S/c33-23(17-21-7-3-1-4-8-21)18-32(12-11-31-13-15-35-16-14-31)19-25-29-27(34)26-24(20-36-28(26)30-25)22-9-5-2-6-10-22/h1-10,20,23,33H,11-19H2,(H,29,30,34)/p+1/t23-/m0/s1/fC28H33N4O3S/h29,32H/q+1 c1ccc(cc1)C[C@@H](C[NH+](CCN2CCOCC2)Cc3[nH]c(=O)c4c(csc4n3)c5ccccc5)O C01[X(C28H33N4O3S1)] 201 C01 610 O[C@H](C[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccccc1)CCN1CCOCC1)Cc1ccccc1 O[C@@H](Cc1ccccc1)C[NH](CC1=N[C@@H]2SC=C([C@@H]2C(=O)N1)c1ccccc1)CCN1CCOCC1 O[C@H](C[NH](CCN1CCOCC1)CC2=N[C@@H]3SC=C([C@@H]3C(=O)N2)c4ccccc4)Cc5ccccc5 InChIKey=DUOXWAKLDHTFER-DANFDKMISA-N InChI=1S/C28H35N4O3S/c33-23(17-21-7-3-1-4-8-21)18-32(12-11-31-13-15-35-16-14-31)19-25-29-27(34)26-24(20-36-28(26)30-25)22-9-5-2-6-10-22/h1-10,20,23,26,28,32-33H,11-19H2,(H,29,30,34)/t23-,26+,28+/m0/s1 InChI=1/C28H35N4O3S/c33-23(17-21-7-3-1-4-8-21)18-32(12-11-31-13-15-35-16-14-31)19-25-29-27(34)26-24(20-36-28(26)30-25)22-9-5-2-6-10-22/h1-10,20,23,26,28,32-33H,11-19H2,(H,29,30,34)/t23-,26+,28+/m0/s1/f/h29H 3871.9453359336 -1919.2226359 1-A 27945.5628 134 476 610 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|7.933924|13.727255|36.858105| |6.827992|7.892187|13.700579|36.858105| |7.932961|6.882688|7.955659|13.685732|36.858105| |13.732014|7.950057|6.885266|7.899085|13.768001|36.858105| |4.425678|5.009164|7.549429|12.575760|7.539136|5.010767|36.858105| |3.769627|4.147074|5.606652|7.552341|5.783229|4.219760|12.423856|36.858105| |3.831695|3.969132|5.007491|6.937702|6.259109|4.515176|8.897975|17.547964|0.500000| |2.915243|3.171507|4.036118|4.920379|4.088709|3.198585|7.563200|12.451014|0.245387|36.858105| |2.552125|2.763508|3.355076|3.807878|3.298824|2.732867|4.977032|7.593992|0.180954|12.679475|53.358707| |2.646261|2.930948|3.579848|3.900665|3.289314|2.765852|4.931234|7.394802|0.167585|9.479627|25.487677|0.500000| |2.471898|2.590360|3.025892|3.456671|3.183877|2.688341|4.175311|6.197256|0.179405|7.561311|17.225012|0.256092|36.858105| |2.259004|2.373922|2.692221|2.927926|2.716444|2.390994|3.327021|4.536257|0.128756|4.987768|10.320503|0.207023|12.452171|36.858105| |2.119552|2.172464|2.396016|2.609390|2.516340|2.261357|2.859539|3.707611|0.110971|3.881534|6.889009|0.134460|7.870191|13.201711|53.358707| |2.055902|2.102945|2.266694|2.402037|2.330668|2.153915|2.538074|3.171377|0.093919|3.166731|5.322036|0.110412|5.195356|7.854007|17.741937|36.858105| |1.899588|1.905089|2.015663|2.141496|2.132235|2.002724|2.224657|2.683459|0.080795|2.657930|4.230953|0.085712|3.995461|5.081932|10.643420|12.531082|36.858105| |1.708376|1.714112|1.820314|1.941995|1.932209|1.806741|2.045158|2.435119|0.072611|2.490098|3.967317|0.078668|3.699825|4.555419|9.230747|7.932246|13.629476|73.516695| |1.740244|1.746205|1.878134|2.037529|2.026231|1.863614|2.189365|2.635035|0.079117|2.770080|4.454001|0.085311|4.317624|5.079382|10.632981|6.777929|8.209530|24.276657|36.858105| |1.852464|1.888936|2.070817|2.254007|2.190374|1.978739|2.485066|3.090981|0.091268|3.370850|5.810690|0.109600|6.012206|7.859080|17.769689|7.932718|6.790342|14.124548|12.523262|36.858105| |2.161378|2.333089|2.767837|3.053810|2.691557|2.287651|3.876089|4.992961|0.122895|7.728436|17.423107|0.260920|7.663112|5.988938|5.875077|3.407731|2.785259|4.841980|3.089075|4.046131|36.858105| |2.090196|2.305556|2.736278|2.895611|2.496075|2.156946|3.600743|4.318066|0.102630|5.918547|10.536813|0.220874|5.132321|4.658355|4.749298|2.966100|2.441230|4.214442|2.589380|3.256834|12.601059|36.858105| |1.850589|2.025416|2.358710|2.474137|2.171016|1.903351|3.001797|3.392386|0.083053|4.412660|7.020269|0.141518|3.915419|3.655445|3.984869|2.541282|2.155430|3.795805|2.329032|2.853808|7.798813|14.138956|53.358707| |1.752263|1.893861|2.187476|2.322471|2.072111|1.818039|2.809216|3.152119|0.078893|4.123314|6.432456|0.123092|3.765041|3.465929|3.883551|2.450510|2.111309|3.776781|2.349340|2.865568|7.305339|9.275501|25.940242|0.500000| |1.736665|1.913480|2.201080|2.250060|1.974244|1.759200|2.651472|2.883810|0.070910|3.501243|5.294618|0.111606|3.109400|3.007909|3.382579|2.235830|1.920848|3.373187|2.028081|2.417737|5.028654|7.798730|18.360960|0.259932|36.858105| |1.580611|1.725523|1.959065|2.004217|1.784453|1.602989|2.328989|2.487457|0.062269|2.968694|4.384167|0.090380|2.684944|2.603912|3.018505|2.009244|1.758175|3.121712|1.877098|2.200416|4.072161|5.458224|11.569313|0.220881|16.033925|73.516695| |1.844698|2.067660|2.383966|2.374078|2.050244|1.838867|2.756053|2.980592|0.072246|3.462653|5.201895|0.116527|3.040700|3.003797|3.349555|2.264018|1.926442|3.322484|1.962587|2.326082|4.496813|6.988819|10.912992|0.161693|13.053844|14.125402|36.858105| |1.739407|1.955909|2.213768|2.155237|1.873451|1.709562|2.423967|2.547009|0.062557|2.823177|4.112417|0.091989|2.512016|2.516829|2.892471|2.004310|1.731410|2.979242|1.735297|2.010967|3.362910|4.585745|6.848112|0.114578|7.243687|10.781785|13.128641|36.858105| |1.855923|2.116819|2.387268|2.267592|1.953494|1.796990|2.501064|2.614354|0.063952|2.793126|4.036929|0.092786|2.485528|2.515744|2.892583|2.036873|1.752388|2.973651|1.712446|1.973214|3.132803|4.114389|5.604130|0.095183|5.126381|7.671565|8.289882|14.137413|36.858105| |2.176624|2.528132|2.919488|2.747709|2.310076|2.101310|3.055609|3.289515|0.078531|3.453072|5.076790|0.124017|3.034090|3.079444|3.424840|2.405099|2.018298|3.362005|1.934011|2.262201|3.739661|4.960553|5.977919|0.099156|4.825845|6.819944|7.414979|7.346451|10.996256|388.023441| |2.089685|2.374993|2.789147|2.762092|2.336279|2.076761|3.239577|3.612868|0.085359|4.164737|6.429216|0.155013|3.593189|3.554703|3.820385|2.575541|2.141636|3.626877|2.135475|2.565254|5.229723|8.514910|9.883950|0.146062|7.866194|9.517057|13.947284|8.121897|7.785545|78.936679|36.858105| |2.255599|2.543609|3.047569|3.125760|2.628500|2.284950|3.819611|4.583194|0.105776|5.692726|9.739656|0.251841|4.833806|4.606975|4.650993|3.013995|2.446390|4.121534|2.468035|3.057457|7.964170|15.010651|11.206544|0.164963|6.648053|8.371716|7.796483|5.186554|5.015210|50.119910|13.846272|53.358707| |1.546430|1.718179|1.914276|1.870428|1.653278|1.522197|2.078145|2.151586|0.053775|2.371103|3.405460|0.074097|2.142160|2.144782|2.528903|1.761416|1.549456|2.693801|1.567700|1.789621|2.795929|3.582850|5.580945|0.099995|5.816099|10.452424|7.234377|12.792639|7.657692|33.655365|5.043106|5.142808|36.858105| |1.509148|1.679152|1.857105|1.798853|1.593111|1.476666|1.975526|1.998103|0.050069|2.163914|3.024866|0.065407|1.918966|1.901381|2.270411|1.588648|1.412484|2.450146|1.422666|1.603927|2.426204|2.995530|4.535313|0.083453|4.357203|7.949063|5.128350|7.655736|6.185509|28.748307|4.021923|4.304976|13.702766|36.858105| |1.364631|1.502746|1.642912|1.597944|1.433773|1.337924|1.739260|1.753278|0.044478|1.890177|2.635834|0.056304|1.703835|1.692057|2.051157|1.441028|1.295708|2.261416|1.311190|1.463367|2.111423|2.523617|3.832003|0.072759|3.542538|6.764848|3.858997|5.056737|4.330849|22.317678|3.147801|3.544454|7.902845|13.747895|36.858105| |1.275326|1.392401|1.516847|1.487871|1.346536|1.257363|1.620395|1.652282|0.042264|1.792963|2.533619|0.053749|1.656789|1.659104|2.024085|1.423280|1.284477|2.258992|1.309971|1.459644|2.053300|2.429815|3.747648|0.072372|3.455799|6.863360|3.591467|4.458910|3.738459|20.066156|2.913852|3.346928|6.842054|7.942327|13.766816|36.858105| |1.297063|1.413813|1.546844|1.526964|1.381725|1.284608|1.674884|1.735167|0.044403|1.904791|2.743697|0.058239|1.793338|1.812651|2.199908|1.542860|1.384337|2.444774|1.420051|1.594810|2.262307|2.712163|4.275099|0.082370|4.061461|8.293670|4.129583|5.041729|3.999791|21.522615|3.238122|3.696223|7.915869|6.888287|7.948517|13.736650|36.858105| |1.418849|1.557239|1.721028|1.698834|1.522209|1.405548|1.882082|1.970738|0.049946|2.185153|3.189869|0.068463|2.048938|2.076778|2.476554|1.727794|1.529197|2.687869|1.564585|1.781497|2.662396|3.324495|5.324353|0.098936|5.449009|10.830154|5.812190|7.584775|5.311832|27.077818|4.211205|4.582272|13.693381|7.946606|6.876938|7.934049|13.780316|36.858105| |3.748049|4.322275|5.752080|6.399139|4.867456|3.908357|7.795100|13.602081|0.259070|8.175205|9.946221|0.248410|5.984727|4.976622|5.312136|3.474711|2.835727|4.469229|2.645844|3.133087|4.822497|4.486245|4.674471|0.085985|2.984432|4.501396|3.223412|2.770420|2.932323|27.835546|4.105307|7.129430|2.288170|2.106793|1.829981|1.719519|1.813059|2.080225|73.516695| |17.728404|8.917107|5.642880|4.929458|5.644486|8.906508|3.541576|3.127927|0.088809|2.511318|3.061739|0.064752|2.203217|2.049357|2.652191|1.915255|1.791572|2.868291|1.630277|1.716350|1.936240|1.880969|2.290685|0.044410|1.591681|2.592968|1.689698|1.608626|1.718047|14.140156|1.895716|2.753379|1.442385|1.413267|1.286190|1.204565|1.221964|1.329009|5.601865|0.500000| |8.917149|17.724348|8.919165|5.629594|4.957634|5.648829|4.089596|3.525108|0.092788|2.815946|3.429978|0.075020|2.356697|2.207292|2.753046|1.983708|1.799331|2.882970|1.638684|1.768443|2.167967|2.181561|2.632955|0.050067|1.854709|2.981941|2.026354|1.948406|2.135590|18.020576|2.317241|3.304428|1.716789|1.689354|1.513030|1.396370|1.411148|1.550432|6.752110|0.214782|0.500000| |5.648387|8.924488|17.692026|8.898309|5.647108|4.956657|6.998949|5.415952|0.126622|4.114708|4.715348|0.105340|3.014527|2.712410|3.222964|2.241289|1.970273|3.178371|1.842672|2.053433|2.898401|2.963131|3.465348|0.064649|2.404639|3.769165|2.660850|2.483483|2.721358|24.154394|3.158475|4.614940|2.117856|2.058633|1.799304|1.645363|1.674374|1.876537|10.562346|0.124214|0.215865|0.500000| |5.647579|4.955093|5.646773|8.890363|17.690704|8.941993|6.984319|5.714517|0.185348|4.217985|4.571388|0.090091|3.314228|2.759348|3.524876|2.357163|2.179097|3.541478|2.117513|2.277790|2.749293|2.485903|2.956261|0.058281|1.952637|3.153814|1.993721|1.807125|1.859261|15.463528|2.249660|3.480205|1.604148|1.540388|1.392651|1.315638|1.354175|1.488445|7.982562|0.124250|0.107571|0.123969|0.500000| |8.908682|5.651047|4.958962|5.631772|8.932224|17.724362|4.089350|3.603838|0.109792|2.848884|3.373290|0.068880|2.491043|2.231477|2.932434|2.061312|1.952628|3.143593|1.821863|1.904816|2.103591|1.968997|2.388363|0.046940|1.622647|2.648900|1.681586|1.567101|1.636833|13.430612|1.878416|2.804595|1.407791|1.366633|1.247063|1.177941|1.203536|1.309642|5.906234|0.214723|0.124151|0.107598|0.216224|0.500000| |3.969817|4.221521|5.697909|8.875206|7.049693|4.696476|17.534840|8.874120|0.214700|6.972936|6.186561|0.118582|3.924475|3.079858|3.685280|2.378045|2.122508|3.519377|2.144508|2.410949|3.707320|3.360025|3.921226|0.076635|2.530518|4.015507|2.560443|2.253137|2.282412|19.181693|2.918392|4.641060|1.965766|1.876810|1.668965|1.562424|1.612010|1.796413|10.092228|0.090398|0.097390|0.145111|0.209202|0.111337|0.500000| |3.976510|4.742408|7.208279|8.888182|5.631497|4.200638|17.557976|8.889389|0.174654|7.008937|6.529905|0.136537|3.813690|3.132884|3.613468|2.377519|2.074136|3.415480|2.046704|2.335751|3.930455|3.871054|4.413805|0.082883|2.909002|4.501434|3.075108|2.705129|2.803881|24.512987|3.639630|5.720521|2.293360|2.190982|1.906266|1.755665|1.806267|2.042129|12.574094|0.090524|0.112721|0.218504|0.142347|0.096706|0.302273|0.500000| |2.733250|2.883237|3.556834|4.426317|3.925526|3.071277|6.482900|8.753084|0.220061|17.613694|12.309904|0.182504|6.992971|4.530164|5.090636|3.004109|2.594962|4.402912|2.814962|3.378012|6.890431|5.017101|5.496752|0.110247|3.204631|4.978331|3.060251|2.530018|2.465988|20.804480|3.503854|6.174690|2.180786|2.004147|1.775557|1.696900|1.799457|2.038126|10.377456|0.065984|0.070991|0.097977|0.118330|0.077702|0.192920|0.160386|0.500000| |2.799930|3.118184|4.014416|4.680716|3.762539|2.997190|7.264332|8.852778|0.174602|17.636590|12.486171|0.226708|5.590353|4.176775|4.488733|2.781639|2.357075|3.961757|2.448024|2.941677|7.483753|6.742612|6.862111|0.127210|4.008741|5.934567|3.981504|3.186958|3.122610|27.402357|4.806116|8.877953|2.640992|2.412868|2.080372|1.952080|2.066224|2.389970|12.369313|0.067257|0.078067|0.118861|0.105074|0.073775|0.185263|0.222336|0.299894|0.500000| |2.783815|2.876024|3.362293|3.955895|3.719373|3.091254|4.679069|7.351649|0.245453|7.419482|12.330566|0.210491|17.716237|8.942556|9.707567|5.088723|4.046552|6.408245|4.105853|5.217575|5.645407|4.211546|4.517337|0.088502|2.734891|4.247312|2.725706|2.308761|2.321582|20.200329|3.217429|5.660340|1.981655|1.801387|1.605236|1.552073|1.662227|1.882454|12.058909|0.068246|0.071425|0.090475|0.108713|0.079396|0.120991|0.112684|0.192680|0.147218|0.500000| |2.262537|2.337637|2.696961|3.101948|2.927760|2.484093|3.742051|5.127398|0.151505|6.547140|12.371905|0.181470|17.629703|8.700863|9.652198|4.634088|3.815687|6.630990|4.622408|6.474826|7.381833|4.729917|5.200992|0.106616|3.003316|4.709993|2.837598|2.351388|2.285795|19.169067|3.223322|5.700985|2.043475|1.835707|1.645653|1.611536|1.745980|1.977632|8.245346|0.056455|0.059196|0.074205|0.086612|0.064928|0.102409|0.095277|0.194822|0.140121|0.302462|0.500000| |2.051170|2.172155|2.457761|2.631048|2.420833|2.146974|3.007710|3.924703|0.107203|4.527145|9.483757|0.193349|8.725876|17.447765|12.261421|6.440195|4.444699|7.548228|4.718833|7.424651|6.610828|5.278788|5.672603|0.109508|3.378985|5.164455|3.322097|2.734102|2.686033|23.063528|3.884835|6.860928|2.322938|2.024660|1.798346|1.777978|1.968980|2.277212|7.625049|0.052015|0.056763|0.069897|0.068018|0.055728|0.077961|0.080944|0.114771|0.111118|0.173643|0.202926|0.500000| |2.429678|2.587092|2.933009|3.119296|2.850690|2.530474|3.463963|4.747335|0.132004|4.832171|9.413134|0.219971|8.961343|17.578817|12.514830|7.718893|4.850183|7.279555|4.240213|5.746036|5.220789|4.469563|4.727960|0.089079|2.948775|4.499086|3.062451|2.601243|2.667990|24.023570|3.738655|6.522793|2.188085|1.945106|1.719871|1.673754|1.820253|2.093143|10.235845|0.061104|0.067139|0.082637|0.078595|0.064889|0.086371|0.091046|0.116353|0.114641|0.221049|0.173547|0.303123|0.500000| |1.907440|1.971463|2.122524|2.214743|2.123348|1.972260|2.347505|2.882533|0.082924|2.932887|4.980394|0.105415|4.549132|6.975680|12.237319|17.450412|8.881819|12.529105|5.852183|7.011684|3.330740|2.991857|3.529213|0.069139|2.306641|3.688252|2.345080|2.083639|2.115531|17.642758|2.652178|4.157324|1.832266|1.639579|1.487864|1.477742|1.613456|1.811844|5.688559|0.049582|0.052239|0.059094|0.059179|0.052269|0.060996|0.062211|0.076683|0.073319|0.118375|0.113933|0.183976|0.195023|0.500000| |2.267291|2.324742|2.494340|2.619793|2.536515|2.358876|2.716218|3.416089|0.101589|3.263709|5.366686|0.115041|5.075900|7.208023|12.444134|17.569027|8.895471|10.180427|5.052061|5.711189|3.303053|2.931771|3.378265|0.065626|2.203835|3.498464|2.274156|2.027664|2.093148|17.896029|2.629179|4.177878|1.768900|1.604014|1.448644|1.419956|1.529854|1.715844|6.897464|0.058563|0.060876|0.068216|0.070312|0.062304|0.069505|0.070259|0.084275|0.079450|0.146645|0.119875|0.157712|0.234253|0.300339|0.500000| |1.818133|1.823306|1.905517|1.994094|1.986246|1.893682|2.042779|2.416733|0.071910|2.369037|3.713150|0.076518|3.345966|4.176718|7.680482|8.857785|17.625328|16.912525|5.894813|5.052990|2.471752|2.225571|2.701644|0.053788|1.797547|2.937832|1.818737|1.655918|1.686944|13.732631|2.013101|3.071917|1.488950|1.361805|1.253372|1.243698|1.337767|1.471708|4.596248|0.048074|0.048282|0.051864|0.055849|0.051407|0.053951|0.053309|0.063818|0.059281|0.094297|0.088127|0.105176|0.115976|0.217456|0.210541|0.500000| |2.013323|1.990978|2.096224|2.252472|2.283577|2.149522|2.316393|2.789761|0.086148|2.706546|4.188910|0.083897|3.997140|4.712983|9.523197|8.872621|17.509458|16.549866|7.311277|5.908073|2.700981|2.346093|2.813602|0.056371|1.839043|2.995872|1.843552|1.659169|1.682301|13.798809|2.052151|3.199159|1.486463|1.364621|1.252481|1.236253|1.324147|1.458473|5.147730|0.052735|0.051803|0.056172|0.065402|0.058718|0.061712|0.059143|0.074181|0.065959|0.117994|0.106710|0.110748|0.125612|0.173932|0.217415|0.300312|0.500000| |1.593347|1.599178|1.715801|1.854702|1.843982|1.701699|1.996655|2.357079|0.069911|2.510108|3.981838|0.076062|3.682519|4.176675|7.677658|5.046750|5.892110|16.922292|17.621409|8.854389|2.862927|2.428280|3.040444|0.063367|1.956694|3.259066|1.872673|1.662356|1.627278|12.863209|2.005081|3.113360|1.517629|1.378032|1.278140|1.284687|1.395083|1.527727|4.174497|0.041627|0.041860|0.046931|0.053584|0.046351|0.054776|0.052291|0.071504|0.062615|0.096015|0.111938|0.113563|0.098279|0.131299|0.110562|0.132320|0.148054|0.500000| |1.819569|1.805016|1.936936|2.127624|2.149658|1.973756|2.274838|2.732982|0.084032|2.830293|4.414289|0.083496|4.334141|4.709655|9.510486|5.895518|7.304341|16.552618|17.506510|8.869219|2.988391|2.482438|3.029480|0.062445|1.936631|3.188864|1.876418|1.662658|1.645351|13.241727|2.046370|3.226114|1.503180|1.374139|1.267009|1.259879|1.356616|1.490354|4.775877|0.047298|0.046703|0.052212|0.063170|0.054015|0.062439|0.058282|0.081209|0.068653|0.119960|0.130974|0.116365|0.111032|0.134355|0.132417|0.148037|0.218821|0.300293|0.500000| |1.856424|1.891674|2.093616|2.312025|2.245790|2.002173|2.601519|3.239722|0.095726|3.674052|6.316475|0.113155|6.611697|7.179110|12.383147|5.695567|5.050679|10.195870|8.908185|17.544662|4.534137|3.469408|4.158751|0.086984|2.531795|4.108843|2.384768|2.038598|1.976982|16.014492|2.607849|4.281641|1.818579|1.630911|1.488185|1.483966|1.620552|1.809630|5.626230|0.047536|0.048913|0.057623|0.065676|0.053532|0.071225|0.067772|0.105723|0.088260|0.152969|0.229200|0.192476|0.143191|0.142335|0.127341|0.110557|0.132362|0.211453|0.217292|0.500000| |1.731605|1.781146|1.949127|2.089586|2.008689|1.826565|2.302552|2.817845|0.080963|3.105285|5.406427|0.104686|5.113177|6.987318|12.270391|7.030574|5.870968|12.564144|8.879842|17.438198|3.973901|3.316218|4.024246|0.082452|2.524542|4.097600|2.419706|2.091915|2.040015|16.465933|2.640630|4.224241|1.866566|1.657720|1.514368|1.521672|1.677758|1.878892|5.174883|0.044745|0.046755|0.054299|0.057425|0.048687|0.061765|0.061173|0.085153|0.077376|0.120635|0.148245|0.217190|0.149147|0.205988|0.142804|0.131645|0.134710|0.217268|0.173874|0.300633|0.500000| |1.991044|2.123826|2.461764|2.688442|2.429475|2.103623|3.268006|4.146370|0.107533|5.691692|12.316776|0.204181|7.658677|6.823779|6.685075|3.764667|3.046596|5.418044|3.519730|4.849268|17.629261|8.958081|9.223527|0.188067|4.609938|6.876982|4.073950|3.125639|2.904177|24.085359|4.566482|8.641647|2.651805|2.285951|2.015406|1.991010|2.218083|2.594570|7.316230|0.050078|0.055187|0.070899|0.069181|0.054364|0.087425|0.090499|0.149737|0.147331|0.149731|0.219748|0.236583|0.152568|0.103990|0.097649|0.074347|0.080438|0.091125|0.092020|0.153775|0.136658|0.500000| |2.107155|2.252266|2.669039|2.998731|2.674827|2.256641|3.868531|4.741009|0.118583|7.595029|12.329816|0.184774|6.352063|4.785098|5.124313|2.997569|2.543452|4.484601|2.897069|3.662765|17.613690|8.824085|9.673304|0.209591|4.688754|7.083732|4.016869|3.084008|2.838326|23.172909|4.397468|8.132227|2.641628|2.331814|2.052258|1.997023|2.180731|2.524862|7.550108|0.052436|0.057836|0.076868|0.077212|0.057991|0.107531|0.108603|0.218697|0.210928|0.140154|0.190958|0.140324|0.116258|0.080503|0.080502|0.062823|0.069512|0.075794|0.079272|0.117580|0.098387|0.302574|0.500000| |1.781560|2.030568|2.250541|2.110740|1.833767|1.708912|2.278121|2.347571|0.058105|2.453994|3.501796|0.079724|2.209490|2.247604|2.633583|1.879179|1.634705|2.770786|1.583387|1.800164|2.671616|3.346311|4.559787|0.080097|4.041070|6.386650|5.711832|8.812051|17.794269|55.428224|5.460970|5.385962|6.778521|6.263594|4.499930|3.788850|3.893560|4.868685|4.666830|0.046199|0.057620|0.071072|0.048294|0.043372|0.057940|0.070463|0.060859|0.075163|0.058048|0.056693|0.065999|0.066406|0.054233|0.053830|0.044058|0.043667|0.041890|0.042342|0.049849|0.051630|0.069601|0.068099|0.500000| |1.600989|1.797426|1.993565|1.911131|1.678622|1.556636|2.091723|2.084809|0.051882|2.232028|3.067613|0.066696|1.932972|1.898971|2.262827|1.583974|1.407391|2.425633|1.407390|1.584211|2.416314|2.971459|4.371067|0.079894|4.052527|7.090793|4.914762|7.100495|6.522588|30.583704|4.075239|4.358590|8.910318|17.717307|8.926727|5.651417|4.960006|5.648035|3.916319|0.041573|0.050471|0.062042|0.044793|0.039823|0.054914|0.065214|0.057069|0.069718|0.050828|0.051064|0.055556|0.054344|0.045125|0.044749|0.037684|0.037954|0.037695|0.037953|0.044741|0.045136|0.062413|0.064601|0.190300|0.500000| |1.332112|1.465516|1.592666|1.542838|1.388546|1.302009|1.665992|1.660555|0.042246|1.772518|2.442350|0.052024|1.587531|1.569452|1.915117|1.348894|1.219908|2.126061|1.230956|1.364568|1.932599|2.270270|3.392539|0.064949|3.031883|5.717681|3.279338|4.122269|3.738198|20.079657|2.779496|3.193629|5.633915|8.926626|17.722340|8.913338|5.647496|4.954459|3.067480|0.034989|0.041140|0.048386|0.037408|0.033757|0.044536|0.050720|0.046433|0.054078|0.041866|0.042640|0.045944|0.044376|0.038521|0.037774|0.032838|0.032886|0.033332|0.033177|0.038545|0.039030|0.051123|0.052514|0.110220|0.215761|0.500000| |1.193322|1.295734|1.402298|1.377232|1.255255|1.177231|1.490825|1.514913|0.039006|1.635385|2.301512|0.048550|1.521085|1.523213|1.876167|1.323172|1.203285|2.122367|1.229076|1.359097|1.854514|2.151194|3.288970|0.064445|2.935447|5.822507|2.994756|3.562644|3.100355|17.334959|2.503980|2.945016|4.936318|5.646771|8.916936|17.722553|8.908462|5.645466|2.788442|0.031428|0.036122|0.042002|0.034136|0.030758|0.040122|0.044611|0.043298|0.049120|0.039745|0.041288|0.045163|0.042583|0.038116|0.036618|0.032438|0.032214|0.033598|0.032880|0.038372|0.039317|0.050205|0.050412|0.088015|0.124237|0.214698|0.500000| 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