Version2.0 2020-07-18T11:23:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 14-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](CN(C)Cc1cc2c(=O)c(cn(c2s1)CCCO)C(=O)NCc3ccc(cc3)Cl)c4ccco4 C28901715 RHF 6-31G(d) (6D,7F) C[C@H](CN(C)Cc1cc2c(=O)c(cn(c2s1)CCCO)C(=O)NCc3ccc(cc3)Cl)c4ccco4 C01[X(C27H30Cl1N3O4S1)] 192 C1 608 OCCCn1cc(C(=O)NCc2ccc(cc2)Cl)c(=O)c2c1sc(c2)CN(C[C@H](c1ccco1)C)C OCCCn1cc(C(=O)NCc2ccc(cc2)Cl)c(=O)c2c1sc(c2)CN(C[C@H](c1ccco1)C)C C[C@H](CN(C)Cc1sc2N(CCCO)C=C(C(=O)NCc3ccc(Cl)cc3)C(=O)c2c1)c4occc4 InChIKey=AVHXFNBHPARSTM-GOSISDBHSA-N InChI=1S/C27H30ClN3O4S/c1-18(24-5-3-12-35-24)15-30(2)16-21-13-22-25(33)23(17-31(10-4-11-32)27(22)36-21)26(34)29-14-19-6-8-20(28)9-7-19/h3,5-9,12-13,17-18,32H,4,10-11,14-16H2,1-2H3,(H,29,34)/t18-/m1/s1 InChI=1/C27H30ClN3O4S/c1-18(24-5-3-12-35-24)15-30(2)16-21-13-22-25(33)23(17-31(10-4-11-32)27(22)36-21)26(34)29-14-19-6-8-20(28)9-7-19/h3,5-9,12-13,17-18,32H,4,10-11,14-16H2,1-2H3,(H,29,34)/t18-/m1/s1/f/h29H C[C@H](CN(C)Cc1cc2c(=O)c(cn(c2s1)CCCO)C(=O)NCc3ccc(cc3)Cl)c4ccco4 C01[X(C27H30Cl1N3O4S1)] 192 C01 608 OCCCn1cc(C(=O)NCc2ccc(cc2)Cl)c(=O)c2c1sc(c2)CN(C[C@H](c1ccco1)C)C OCCCN1C=C([C]([NH]C[C]2[CH][CH][C]([CH][CH]2)Cl)=O)C(=O)[C]2[C]1SC(=[CH]2)CN(C[C@H](C1=[CH][CH]=CO1)C)C C[C@H](CN(C)CC1=C[C]2[C](S1)N(CCCO)C=C(C(=O)NC[C]3[CH][CH][C](Cl)[CH][CH]3)C2=O)c4occc4 InChIKey=AVHXFNBHPARSTM-GOSISDBHSA-N InChI=1S/C27H30ClN3O4S/c1-18(24-5-3-12-35-24)15-30(2)16-21-13-22-25(33)23(17-31(10-4-11-32)27(22)36-21)26(34)29-14-19-6-8-20(28)9-7-19/h3,5-9,12-13,17-18,32H,4,10-11,14-16H2,1-2H3,(H,29,34)/t18-/m1/s1 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5501.80 5920.90 0.575742 0.608229 0.609173 0.504296 -2359.106068 -2359.073580 -2359.072636 -2359.177514 3.517625D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE C[C@H](CN(C)Cc1cc2c(=O)c(cn(c2s1)CCCO)C(=O)NCc3ccc(cc3)Cl)c4ccco4 C28901715 RHF 6-31G(d) (6D,10F) C1 527.164556 |X|Y|Z| 174.852232 84.723069 29.582233 75.957023 27 6 7 8 16 22 3 1 1 |36.858105| |12.417260|36.858105| |8.888398|17.562274|0.500000| |7.470936|12.368961|0.245289|36.858105| |6.341005|7.589640|0.189412|13.093349|53.358707| |5.106667|6.184439|0.188043|7.870102|17.865410|36.858105| |4.531263|5.039829|0.126266|7.900703|17.855029|7.925050|36.858105| |3.822913|3.891080|0.101571|5.099896|10.540880|6.328584|12.674080|36.858105| |3.023983|3.103206|0.083117|3.877099|7.117749|4.914476|7.427068|14.244736|36.858105| |2.712348|2.676425|0.072204|3.151249|5.518457|3.904881|5.024746|8.188425|13.215363|36.858105| |2.249787|2.233663|0.060903|2.565941|4.267016|3.115006|3.720095|5.123354|7.366473|13.071457|36.858105| |2.077264|2.104887|0.057655|2.430763|3.960983|2.932633|3.469886|4.471742|6.446720|8.145338|15.685398|73.516695| |2.087219|2.027618|0.055383|2.260588|3.678105|2.682782|3.061492|4.019480|4.983556|7.815973|13.017629|14.242691|36.858105| |2.223619|2.106378|0.057298|2.312230|3.770438|2.712588|3.062179|4.031277|4.590071|6.998725|7.799859|9.483471|14.078826|36.858105| |2.617824|2.429024|0.065507|2.672922|4.466094|3.137829|3.607897|4.957625|5.250772|7.950668|6.638355|8.292827|7.939295|14.094387|53.358707| |2.971900|2.807388|0.075156|3.213826|5.648040|3.883434|4.821243|7.659281|8.202544|14.013928|7.741477|9.502039|6.918631|8.209423|18.939242|36.858105| |4.055149|3.701417|0.096275|4.328559|8.191496|5.050592|6.755780|10.829240|7.412352|7.387362|4.784965|6.898066|4.247176|4.795996|9.395622|10.966139|388.023441| |2.682218|2.401550|0.064488|2.555462|4.152776|2.882255|3.199768|4.074633|3.972098|5.088550|4.397434|6.106153|5.120450|7.798928|17.711588|7.667433|42.883926|36.858105| |2.564395|2.279861|0.060116|2.425012|3.809183|2.558627|2.977220|3.633910|3.498021|4.241822|3.748329|5.415965|4.245653|5.788251|10.403880|5.771315|36.245850|12.472008|36.858105| |2.490359|2.168306|0.057232|2.235235|3.409946|2.302200|2.571539|2.975703|2.807186|3.220423|2.903508|4.371800|3.226760|4.113166|6.760826|4.100151|28.506441|7.542116|12.529476|36.858105| |2.300898|2.019787|0.052844|2.086112|3.107333|2.074815|2.367823|2.669079|2.529281|2.831143|2.593275|3.995669|2.833438|3.433710|5.350097|3.430015|24.189379|5.114575|8.091491|13.610344|73.516695| |1.794714|1.751924|0.048099|1.925800|3.047182|2.244716|2.488091|3.076463|3.677353|4.924785|7.260901|11.208614|12.709507|7.910341|7.000900|4.488918|22.656750|3.943777|3.460407|2.788374|4.466399|36.858105| |1.697056|1.639939|0.045051|1.775741|2.776412|2.041046|2.223565|2.692598|3.082874|3.974438|5.139373|8.018777|8.075026|7.063356|6.412392|3.893417|20.493442|3.909704|3.477154|2.868333|4.590874|15.723905|73.516695| |1.680378|1.665858|0.045866|1.841382|2.885447|2.142240|2.371122|2.863395|3.479652|4.356751|6.489405|12.257389|7.877184|5.279254|5.394503|3.751985|20.025107|3.148563|2.840512|2.355747|3.854280|14.236659|15.144071|53.358707| |1.490940|1.479454|0.040839|1.616612|2.487381|1.851522|2.012074|2.352028|2.759061|3.271204|4.345150|8.264090|5.042100|3.942530|4.243847|2.933252|16.525213|2.627209|2.425439|2.078903|3.451189|7.858413|12.365793|17.869590|36.858105| |1.412850|1.419140|0.039251|1.556367|2.372631|1.774412|1.923877|2.202659|2.586990|2.927573|3.767652|7.674587|3.939618|3.153091|3.584906|2.575502|15.013340|2.245461|2.095207|1.820246|3.053781|5.150105|8.029570|10.649159|12.600020|36.858105| |1.361364|1.371540|0.037722|1.509680|2.278092|1.683924|1.861269|2.103061|2.454781|2.715809|3.396179|6.964204|3.443217|2.820078|3.285114|2.390643|14.196971|2.080147|1.987350|1.733346|2.952600|4.224316|6.687332|7.926341|7.551723|13.716560|36.858105| |1.288882|1.309149|0.036077|1.440376|2.152455|1.596790|1.752473|1.941919|2.244847|2.404820|2.900271|5.989220|2.844378|2.389153|2.865463|2.119273|12.925446|1.837441|1.761754|1.555345|2.662428|3.294529|5.286041|5.774864|5.010170|7.885421|13.759063|36.858105| |1.264340|1.290979|0.035812|1.415531|2.113854|1.588594|1.705272|1.876177|2.160750|2.287170|2.725583|5.641741|2.646484|2.239580|2.711448|2.016251|12.420155|1.744816|1.653111|1.469470|2.499389|3.018990|4.860972|5.210323|4.442584|6.861879|7.986060|13.783107|36.858105| |1.304073|1.329471|0.037088|1.452749|2.186816|1.662656|1.751387|1.943403|2.246198|2.404790|2.899764|5.987411|2.844470|2.389339|2.866230|2.119268|12.935382|1.835037|1.710060|1.518360|2.555086|3.295769|5.290215|5.774369|5.010206|7.885463|6.884244|7.919613|13.782868|36.858105| |1.379162|1.394778|0.038873|1.523838|2.318627|1.761073|1.859990|2.104944|2.456553|2.715783|3.395396|6.961463|3.443391|2.820385|3.286270|2.390647|14.210100|2.076692|1.914564|1.682972|2.809234|4.226906|6.695689|7.925078|7.551732|13.716485|7.982582|6.884262|7.986098|13.759427|36.858105| |1.173633|1.206316|0.033511|1.318321|1.943615|1.462164|1.557460|1.678148|1.900531|1.961547|2.254076|4.592466|2.162390|1.878744|2.328628|1.746708|11.041065|1.521165|1.451500|1.305905|2.234823|2.378433|3.890780|3.886481|3.157641|4.213537|4.770923|7.035358|10.917277|7.035455|4.770990|448.794386| |7.596375|12.702311|0.255247|7.671625|6.822169|4.329721|3.905243|3.097283|2.582763|2.257930|1.934972|3.285790|1.769948|1.825591|2.809942|2.337385|20.861473|2.050139|1.986583|1.914077|3.233801|1.555716|2.602882|2.030553|1.340380|1.295366|1.261610|1.212920|1.196408|1.224329|1.274367|9.058748|36.858105| |5.241799|7.308623|0.195548|5.297244|5.301016|3.645380|3.175544|2.607441|2.246938|1.987439|1.737371|2.979439|1.598091|1.638011|2.483130|2.036517|17.529311|1.810414|1.750842|1.697685|2.878006|1.422885|2.389162|1.869573|1.244993|1.210220|1.179497|1.140650|1.130812|1.157233|1.197717|8.623403|14.195585|36.858105| |4.177904|5.123978|0.130461|4.212379|4.373859|2.949653|2.774536|2.313425|2.023313|1.805588|1.595393|2.747385|1.475179|1.509624|2.271540|1.845922|15.630422|1.662064|1.633152|1.593271|2.739769|1.323687|2.230196|1.744291|1.168470|1.138995|1.117361|1.083800|1.071287|1.089804|1.123896|8.207115|8.549175|13.215217|36.858105| |4.526527|5.318578|0.124547|4.555899|4.630831|2.972472|2.989647|2.467888|2.134038|1.900217|1.666661|2.856653|1.539787|1.581564|2.394804|1.953544|16.753322|1.757403|1.749034|1.705407|2.955618|1.374792|2.314719|1.805464|1.205342|1.171344|1.152976|1.114859|1.095416|1.110521|1.148222|8.363521|8.747658|8.604554|14.248751|36.858105| |6.345421|7.826765|0.160718|6.380798|5.962341|3.620110|3.698957|2.957411|2.479771|2.181414|1.876444|3.186772|1.722671|1.779166|2.734098|2.262805|20.086848|2.005002|1.987236|1.922840|3.303667|1.518188|2.545565|1.981373|1.310761|1.266757|1.242469|1.194566|1.171159|1.190661|1.238116|8.877019|14.111554|8.649742|8.632005|14.140663|73.516695| |17.558577|8.789804|0.213834|5.457119|6.477490|4.209635|3.618580|3.174189|2.607955|2.391072|2.026965|3.341721|1.907354|2.036054|3.220403|2.616020|24.212539|2.459247|2.356783|2.340991|3.859059|1.662144|2.818478|2.120438|1.394779|1.322641|1.273414|1.208240|1.188403|1.227037|1.295304|8.887157|6.954984|5.326694|4.257768|4.442085|10.252162|0.500000| |17.600201|8.792884|0.212483|6.815217|9.660193|5.816670|4.921732|4.366611|3.375457|3.058705|2.489726|4.023509|2.314565|2.497587|4.089732|3.440809|35.003044|3.096315|2.883147|2.773193|4.440181|1.963171|3.295385|2.476781|1.601169|1.505222|1.439984|1.354629|1.328584|1.377898|1.467808|9.827445|5.528772|4.189811|3.415695|3.626145|8.453545|0.300462|0.500000| |17.561719|8.778324|0.173517|6.788809|7.752677|4.350890|4.470585|3.779619|2.987130|2.692289|2.232676|3.657367|2.077708|2.221141|3.568250|2.967120|28.918016|2.707754|2.668589|2.604123|4.353440|1.786499|3.008198|2.272884|1.482256|1.402897|1.360079|1.286050|1.253840|1.285912|1.359922|9.340633|6.833541|4.731749|4.090397|4.759620|12.262039|0.301398|0.301528|0.500000| |5.469487|8.831781|0.213311|17.422849|12.268596|7.197109|6.795526|4.496876|3.633087|2.926227|2.440422|4.200104|2.133818|2.144605|3.299535|2.889689|26.028168|2.289528|2.172180|2.001300|3.343202|1.840271|3.007098|2.427646|1.574940|1.533104|1.492221|1.435814|1.418316|1.452497|1.510832|10.686841|7.151224|5.491765|4.363514|4.532202|10.442700|0.122969|0.139547|0.139628|0.500000| |6.849095|8.926796|0.174652|17.592085|12.551906|5.717895|7.591649|4.959143|3.779714|3.098387|2.526726|4.247876|2.234919|2.292760|3.611837|3.178396|30.493685|2.553369|2.489440|2.295793|3.869483|1.905799|3.130137|2.477127|1.599621|1.538638|1.504184|1.433807|1.398655|1.425114|1.494243|10.459210|7.065561|4.857025|4.191661|4.887575|12.691592|0.140611|0.167962|0.203425|0.302576|0.500000| 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|5.706231|6.875356|0.240450|7.056670|12.393556|17.610970|5.704448|4.877391|3.945324|3.348112|2.748716|4.584495|2.443792|2.509138|3.940569|3.438677|31.391321|2.746160|2.436565|2.244543|3.585291|2.076222|3.405532|2.684794|1.725254|1.649289|1.561640|1.482724|1.479627|1.552398|1.642994|10.976706|4.633629|3.956755|3.095764|3.048518|6.574619|0.134756|0.183205|0.126186|0.176365|0.142776|0.300180|0.303367|0.500000| |3.800987|4.426707|0.114989|6.734562|12.189592|7.206450|17.435401|9.019337|7.091860|4.654298|3.631468|6.304745|2.927858|2.835603|4.368130|4.168572|36.332094|2.811033|2.620336|2.276543|3.763574|2.424135|3.820619|3.218007|2.015402|1.959656|1.905480|1.813220|1.774353|1.816566|1.909348|13.098026|3.626957|3.057591|2.692565|2.855168|6.084491|0.087532|0.111005|0.103156|0.189434|0.175796|0.207189|0.185516|0.143750|0.500000| |4.545609|4.915180|0.116813|7.607851|12.572716|5.738309|17.573502|9.006037|6.036691|4.450959|3.397028|5.639393|2.862688|2.891175|4.625797|4.396263|43.470439|3.090028|2.999364|2.609484|4.363196|2.354690|3.775884|3.050790|1.918742|1.834924|1.796019|1.692945|1.633605|1.661108|1.758440|12.025787|3.993761|3.191437|2.868905|3.197657|7.126222|0.100320|0.131319|0.133074|0.177442|0.249713|0.144209|0.146064|0.127853|0.302664|0.500000| |2.746638|2.904250|0.078439|3.649735|6.365744|4.559537|6.566445|8.928588|17.759146|8.628665|6.598734|12.114303|4.430170|3.896213|5.680883|5.728015|37.499804|3.278814|2.957192|2.437298|3.976240|3.469108|5.136401|4.691740|2.764122|2.672016|2.561687|2.378681|2.303233|2.379954|2.563287|16.355384|2.473788|2.184373|1.978071|2.072757|4.223899|0.066508|0.083066|0.075176|0.099202|0.098554|0.124964|0.145567|0.101621|0.204073|0.151091|0.500000| |2.049220|1.927677|0.052563|2.079332|3.319492|2.396131|2.637720|3.319930|3.650741|5.022222|5.581907|7.596658|9.105422|17.774116|12.573167|5.811522|28.111180|7.380135|5.749486|4.277355|6.315356|7.498524|14.651215|6.699045|3.917397|3.059722|2.726150|2.300056|2.153259|2.300185|2.726361|14.514115|1.688575|1.526008|1.413824|1.478193|2.933667|0.052788|0.063517|0.056949|0.053717|0.057385|0.061024|0.075062|0.062639|0.068173|0.070005|0.088808|0.500000| |3.074841|2.686060|0.072262|2.815863|4.634593|3.213531|3.441233|4.326520|3.987110|4.802334|3.960781|5.644204|4.300499|5.855155|12.513236|7.241024|49.463593|17.596932|8.785763|6.878649|8.362392|3.375232|5.869324|3.808629|2.363221|2.062622|1.914751|1.714665|1.644631|1.732181|1.939043|11.632411|2.250146|1.970832|1.790266|1.890386|3.873353|0.078085|0.101481|0.085308|0.068956|0.077335|0.076523|0.099974|0.086303|0.082260|0.091342|0.090721|0.150500|0.500000| |2.402213|2.167346|0.058912|2.273113|3.634062|2.588500|2.758891|3.407661|3.402364|4.299995|3.998265|5.681753|4.909362|7.496461|12.586830|5.784510|32.827514|17.603820|8.811974|6.836176|8.360390|4.025648|7.463369|4.302762|2.685250|2.261893|2.070878|1.821465|1.735893|1.839717|2.097604|12.109872|1.871498|1.674618|1.540996|1.616060|3.240681|0.062255|0.076256|0.066729|0.057297|0.062608|0.063936|0.080344|0.069442|0.068792|0.073628|0.080534|0.233069|0.304567|0.500000| |2.261018|2.051590|0.054317|2.195119|3.412454|2.316792|2.707965|3.285360|3.292971|4.060159|3.811598|5.538487|4.515451|6.132852|9.440160|5.147600|30.243939|8.852837|17.557295|8.928540|13.165256|3.797153|6.943067|4.171783|2.626025|2.234172|2.127072|1.864055|1.730125|1.782264|2.008738|12.102368|1.812308|1.612546|1.514617|1.618106|3.233886|0.058034|0.069486|0.065245|0.055447|0.062685|0.058259|0.069564|0.060998|0.067663|0.075906|0.078980|0.179776|0.173086|0.212185|0.500000| |2.794802|2.477214|0.064273|2.678286|4.211462|2.737514|3.361544|4.111960|3.841449|4.510552|3.803496|5.534794|4.049501|5.156044|9.466337|6.149405|42.035503|8.829958|17.572240|8.933414|13.141858|3.248843|5.618970|3.730542|2.329116|2.047469|1.965589|1.755671|1.644199|1.687917|1.872556|11.655377|2.151756|1.873191|1.750968|1.896281|3.867969|0.070160|0.086940|0.082345|0.065968|0.077742|0.067435|0.081304|0.071537|0.080744|0.096419|0.089071|0.133078|0.209127|0.173150|0.303073|0.500000| |2.802079|2.374626|0.062497|2.406995|3.664193|2.458587|2.694242|3.069100|2.809110|3.136459|2.758253|4.181978|2.976070|3.710921|6.281055|4.019135|30.209281|6.876106|8.847875|17.492821|16.465351|2.553692|4.602302|2.981315|1.934355|1.714080|1.630749|1.476071|1.405253|1.454918|1.602579|10.092582|2.078003|1.830718|1.708678|1.831232|3.699040|0.073455|0.087717|0.081514|0.059129|0.068489|0.060236|0.071915|0.067401|0.065420|0.075882|0.067482|0.104065|0.205797|0.168725|0.174099|0.213320|0.500000| |2.263273|1.990903|0.053207|2.036708|3.099306|2.139526|2.319284|2.674086|2.570743|2.972030|2.761457|4.183478|3.148560|4.033114|6.276913|3.695386|24.804880|6.898665|8.843349|17.489701|16.466696|2.797429|5.255346|3.193949|2.095644|1.819809|1.719765|1.538902|1.457990|1.514439|1.686082|10.379561|1.766399|1.584303|1.486053|1.575935|3.130678|0.059821|0.069837|0.064770|0.051166|0.057472|0.053409|0.063393|0.058357|0.057824|0.064535|0.062736|0.122544|0.171386|0.205086|0.212729|0.174113|0.301244|0.500000| |2.213810|1.934366|0.050733|1.969359|2.895510|1.944905|2.174727|2.406096|2.272532|2.504751|2.309771|3.606252|2.507547|2.984466|4.574285|2.980639|21.399702|4.287087|5.959556|9.826955|35.770725|2.260252|4.151428|2.684950|1.788021|1.592748|1.541134|1.398177|1.318078|1.347524|1.474570|9.517058|1.757395|1.573249|1.503821|1.619260|3.196066|0.058783|0.066234|0.065411|0.049445|0.056961|0.049040|0.056028|0.053023|0.054293|0.062555|0.056386|0.086264|0.113729|0.113509|0.153333|0.153207|0.228490|0.228496|0.500000| |1.740781|1.743918|0.048009|1.951131|3.073328|2.287655|2.565130|3.110965|3.914006|4.817580|7.606233|17.157500|7.515573|4.925207|5.301945|3.899770|20.907627|3.046779|2.750177|2.275242|3.733249|9.448985|10.880725|25.978854|8.898928|7.462224|5.915067|4.480501|4.076640|4.476293|5.905529|24.369820|1.559025|1.433543|1.334976|1.381645|2.700388|0.044581|0.052274|0.047987|0.052806|0.053477|0.061983|0.071372|0.057825|0.072047|0.066880|0.110980|0.121210|0.076476|0.082988|0.081038|0.075258|0.059401|0.062139|0.053074|0.500000| |1.442529|1.423378|0.039097|1.550308|2.367856|1.742335|1.914619|2.224953|2.569919|3.038031|3.906113|7.190447|4.626649|3.792320|4.097246|2.789021|15.849333|2.587947|2.449265|2.107785|3.541687|7.016328|12.404154|12.461031|17.585166|8.888012|7.128393|4.722193|3.988513|4.212264|5.670068|23.556499|1.295582|1.202668|1.134405|1.174355|2.266183|0.037551|0.042900|0.040078|0.041827|0.042910|0.047027|0.052954|0.045246|0.052950|0.051302|0.070904|0.107687|0.064044|0.073664|0.075011|0.065118|0.053918|0.059172|0.050941|0.186093|0.500000| |1.458052|1.442350|0.040026|1.561624|2.401141|1.803882|1.913881|2.226947|2.571891|3.038671|3.906326|7.190286|4.628321|3.793691|4.099638|2.789560|15.865140|2.583472|2.350886|2.042228|3.362371|7.027627|12.445711|12.463833|17.586606|8.887736|5.669508|4.211968|3.988429|4.722387|7.129055|23.556177|1.305739|1.216770|1.139475|1.170796|2.260308|0.038083|0.043596|0.040078|0.042217|0.042696|0.048726|0.055412|0.047090|0.053036|0.050477|0.070950|0.107719|0.064912|0.074814|0.070189|0.061941|0.052963|0.057887|0.048680|0.185888|0.304450|0.500000| |1.370325|1.373525|0.037567|1.513045|2.278549|1.664759|1.870684|2.119060|2.461796|2.745310|3.414811|6.829728|3.519915|2.908547|3.377078|2.438929|14.436247|2.145343|2.083139|1.809456|3.108520|4.317986|6.926379|7.743947|7.004512|8.915636|17.709823|8.955599|5.674204|4.957277|5.662296|31.630573|1.264995|1.178761|1.120309|1.161554|2.227255|0.035564|0.040228|0.038248|0.041360|0.042163|0.045722|0.049848|0.042868|0.052849|0.050609|0.070660|0.078538|0.054369|0.059119|0.062697|0.057334|0.046925|0.049737|0.044916|0.155753|0.213480|0.143778|0.500000| |1.246908|1.267943|0.034822|1.395499|2.068784|1.523595|1.687077|1.850448|2.119267|2.242111|2.645796|5.398249|2.578995|2.203604|2.678715|1.989248|12.294621|1.733549|1.683122|1.493253|2.578955|2.915373|4.731944|4.901338|4.085020|5.620505|8.894640|17.747353|8.927495|5.643105|4.960201|53.786313|1.181666|1.112532|1.062320|1.094948|2.079012|0.032485|0.036227|0.034693|0.038713|0.038783|0.042581|0.045056|0.039317|0.048557|0.045643|0.062466|0.058991|0.045031|0.047514|0.049497|0.046866|0.039375|0.040898|0.037685|0.105396|0.111892|0.096986|0.215399|0.500000| |1.271539|1.301136|0.036478|1.415583|2.123620|1.628943|1.685350|1.852707|2.121261|2.242046|2.645085|5.395838|2.579091|2.203843|2.679804|1.989224|12.309675|1.729967|1.605387|1.436563|2.412750|2.916866|4.737210|4.900746|4.085018|5.620483|4.960184|5.643135|8.927513|17.747247|8.894624|53.788660|1.200520|1.140182|1.072384|1.087696|2.067508|0.033336|0.037266|0.034687|0.039472|0.038391|0.045839|0.048969|0.042435|0.048704|0.044237|0.062518|0.058996|0.045765|0.048264|0.046118|0.044012|0.038466|0.039860|0.035488|0.105269|0.096993|0.111898|0.107637|0.124258|0.500000| |1.403244|1.416034|0.039671|1.538770|2.352492|1.805106|1.868377|2.122513|2.465003|2.745285|3.413426|6.825185|3.520287|2.909178|3.379348|2.438954|14.460993|2.138610|1.940953|1.711205|2.829436|4.322992|6.943072|7.741995|7.004676|8.915742|5.662330|4.957283|5.674185|8.955629|17.709779|31.630863|1.288226|1.211818|1.132148|1.152927|2.213166|0.036690|0.041665|0.038240|0.042290|0.041661|0.049831|0.055312|0.047005|0.053041|0.048715|0.070738|0.078550|0.055677|0.060583|0.056221|0.052331|0.045409|0.047903|0.041325|0.155354|0.143798|0.213535|0.124272|0.107637|0.215394|0.500000| |4.663968|6.332471|0.196327|4.710427|5.005194|3.650898|2.984758|2.494891|2.176241|1.933418|1.701538|2.927183|1.567375|1.602171|2.415660|1.972982|16.755221|1.756679|1.680733|1.629505|2.745139|1.401006|2.353880|1.844942|1.231509|1.199229|1.164441|1.128054|1.123963|1.154657|1.193536|8.585503|8.833243|17.792429|8.438695|5.856949|10.465747|0.134819|0.108889|0.112825|0.138700|0.115206|0.102929|0.084609|0.113305|0.080809|0.081162|0.059024|0.041533|0.053156|0.045460|0.043092|0.049496|0.048726|0.042561|0.041723|0.039287|0.032938|0.033557|0.032196|0.030491|0.031726|0.033660|0.500000| 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