Version2.0 2020-07-20T11:59:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1)CN2c3c(ccc[nH+]3)N[C@@H]2SCc4ccc(cc4)C(=O)NCCc5c[nH]c[nH+]5 C63506044 RHF 6-31G(d) (6D,7F) COc1ccc(cc1)CN2c3c(ccc[nH+]3)N[C@@H]2SCc4ccc(cc4)C(=O)NCCc5c[nH]c[nH+]5 C01[X(C27H30N6O2S1)] 192 C1 604 COc1ccc(cc1)CN1[C@@H](SCc2ccc(cc2)C(=O)NCCc2c[nH]c[nH+]2)Nc2c1[nH+]ccc2 COc1ccc(cc1)CN1[C@@H](SCc2ccc(cc2)C(=O)NCCc2c[nH]c[nH+]2)Nc2c1[nH+]ccc2 COc1ccc(CN2[C@H](Nc3ccc[nH+]c23)SCc4ccc(cc4)C(=O)NCCc5c[nH]c[nH+]5)cc1 InChIKey=VYDCBLJINMJCCD-MHZLTWQESA-P InChI=1S/C27H28N6O2S/c1-35-23-10-6-19(7-11-23)16-33-25-24(3-2-13-29-25)32-27(33)36-17-20-4-8-21(9-5-20)26(34)30-14-12-22-15-28-18-31-22/h2-11,13,15,18,27,32H,12,14,16-17H2,1H3,(H,28,31)(H,30,34)/p+2/t27-/m0/s1 InChI=1/C27H28N6O2S/c1-35-23-10-6-19(7-11-23)16-33-25-24(3-2-13-29-25)32-27(33)36-17-20-4-8-21(9-5-20)26(34)30-14-12-22-15-28-18-31-22/h2-11,13,15,18,27,32H,12,14,16-17H2,1H3,(H,28,31)(H,30,34)/p+2/t27-/m0/s1/fC27H30N6O2S/h28-31H/q+2 COc1ccc(cc1)CN2c3c(ccc[nH+]3)N[C@@H]2SCc4ccc(cc4)C(=O)NCCc5c[nH]c[nH+]5 C01[X(C27H30N6O2S1)] 192 C01 604 COc1ccc(cc1)CN1[C@@H](SCc2ccc(cc2)C(=O)NCCc2c[nH]c[nH+]2)Nc2c1[nH+]ccc2 CO[C]1[CH][CH][C]([CH][CH]1)C[N]1[C]2[NH]C=[CH][CH]=[C]2N[C@@H]1SC[C]1[CH][CH][C]([CH][CH]1)[C]([NH]CCC1=C[NH][CH][NH]1)[O] CO[C]1[CH][CH][C]([CH][CH]1)CN2[C]3NC=CC=C3N[C@@H]2SC[C]4[CH][CH][C]([CH][CH]4)[C]([O])NCCC5=CN[CH]N5 InChIKey=PPBFJFPNLUIHNF-MHZLTWQESA-N InChI=1S/C27H30N6O2S/c1-35-23-10-6-19(7-11-23)16-33-25-24(3-2-13-29-25)32-27(33)36-17-20-4-8-21(9-5-20)26(34)30-14-12-22-15-28-18-31-22/h2-11,13,15,18,27-29,31-32H,12,14,16-17H2,1H3,(H,30,34)/t27-/m0/s1 InChI=1/C27H30N6O2S/c1-35-23-10-6-19(7-11-23)16-33-25-24(3-2-13-29-25)32-27(33)36-17-20-4-8-21(9-5-20)26(34)30-14-12-22-15-28-18-31-22/h2-11,13,15,18,27-29,31-32H,12,14,16-17H2,1H3,(H,30,34)/t27-/m0/s1/f/h30H 3781.5958779369 -1913.434529 1-A 30121.5255 132 472 604 |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|A|A|A|A|A|A|A|A|A|A|A|A| -92.11070 -20.72739 -20.70516 -15.85982 -15.85607 -15.83886 -15.81901 -15.77806 -15.76165 -11.56670 -11.55214 -11.53246 -11.52899 -11.48877 -11.48383 -11.48162 -11.47398 -11.46574 -11.45178 -11.44921 -11.44678 -11.43490 -11.42431 -11.42405 -11.41226 -11.40975 -11.40526 -11.40373 -11.39997 -11.39645 -11.39570 -11.39344 -11.39101 -11.39026 -11.38014 -11.37291 -9.12154 -6.80437 -6.80257 -6.80067 -1.60793 -1.58007 -1.56960 -1.55887 -1.50435 -1.43730 -1.41938 -1.41345 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5022.96 5154.34 5517.89 5532.66 5560.70 5613.39 0.588378 0.618780 0.619724 0.520309 -1912.846151 -1912.815749 -1912.814805 -1912.914220 3.334395D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE COc1ccc(cc1)CN2c3c(ccc[nH+]3)N[C@@H]2SCc4ccc(cc4)C(=O)NCCc5c[nH]c[nH+]5 C63506044 RHF 6-31G(d) (6D,10F) C1 502.215096 |X|Y|Z| 69.535562 32.091181 155.744755 70.307561 33 6 7 16 26 6 1 |36.858105| |13.539404|73.516695| |8.001522|25.344929|36.858105| |5.254042|14.619337|13.661606|36.858105| |3.984252|9.438439|7.922207|13.830778|36.858105| |3.771400|8.186306|6.794846|7.892266|13.673556|36.858105| |4.505683|9.268350|7.939005|6.915694|8.003726|13.748719|36.858105| |6.697374|14.020668|13.706761|7.933032|6.881494|7.863377|13.736703|36.858105| |2.912080|5.995557|4.413535|5.023728|7.571999|12.583476|7.500176|4.986337|36.858105| |2.631997|5.236401|3.696297|3.962553|5.253748|7.559647|6.103107|4.284776|12.959144|53.358707| |2.451208|4.703909|3.222232|3.281550|4.032444|5.526393|5.258898|3.846859|7.644304|19.602832|36.858105| |2.169203|4.114158|2.727970|2.773504|3.283276|4.120543|3.974591|3.153752|5.175310|11.481759|13.390683|36.858105| |1.978064|3.671617|2.378268|2.371364|2.713733|3.303810|3.319729|2.745407|3.920853|7.380015|7.942386|14.143339|36.858105| |1.987778|3.635485|2.344504|2.296573|2.594336|3.180593|3.307728|2.749796|3.697191|6.398301|6.951852|7.972712|13.283036|36.858105| |2.187919|4.005985|2.622940|2.549737|2.905668|3.682637|3.909460|3.151626|4.312817|7.148400|8.076224|6.922234|7.915652|14.223909|36.858105| |2.460270|4.615991|3.129271|3.087159|3.665879|4.979994|5.160826|3.833540|6.272348|10.856364|14.429983|8.015464|6.909296|8.069588|13.736079|53.358707| |2.640013|4.966893|3.411289|3.345331|3.987131|5.557686|5.878546|4.248254|6.809209|9.725021|9.442365|5.791783|5.071771|5.859839|9.246899|25.953283|0.500000| |2.158499|4.167065|2.759826|2.883431|3.448582|4.156559|3.811561|3.084425|5.158234|11.412313|8.498017|13.747781|7.571532|5.082451|4.640631|7.425491|0.124267|53.358707| |2.350848|4.679117|3.184986|3.482107|4.437839|5.404942|4.465298|3.490661|7.379034|17.560293|8.341342|8.218776|5.224670|4.122455|4.152750|7.245955|0.130448|17.878480|36.858105| |2.153317|4.293525|2.879617|3.213717|4.100390|4.730041|3.827630|3.072076|6.687909|12.409986|6.605339|6.519182|4.582412|3.725431|3.751818|6.347290|0.117514|12.244754|17.517857|0.500000| |2.501410|5.106117|3.442942|3.892174|4.826282|5.163489|4.243010|3.560966|5.653720|9.256576|4.971490|4.924463|3.697837|3.078858|3.100847|5.114740|0.097776|9.444787|10.556620|0.229110|388.023441| |2.843682|5.688050|3.808663|3.972633|4.501383|4.961047|4.665345|4.083847|4.721645|7.729690|4.694552|4.711303|3.706278|3.132910|3.140307|5.054329|0.096269|8.138276|6.690195|0.140639|74.079236|36.858105| |2.794910|5.592725|3.550730|3.707600|3.904941|3.924869|3.749374|3.573812|3.605822|5.406390|3.421906|3.456525|2.904237|2.528010|2.523457|3.917672|0.076317|5.693683|4.546356|0.106604|49.760016|12.597928|36.858105| |3.192377|6.589281|4.080010|4.300736|4.230545|3.956070|3.794578|3.844355|3.420647|4.772913|3.007756|2.917217|2.494930|2.245379|2.290486|3.563939|0.071347|4.579064|3.768959|0.091776|38.634577|7.555533|13.703127|36.858105| |2.905435|5.853069|3.410618|3.555948|3.387086|3.122942|3.030559|3.149519|2.760514|3.813939|2.472722|2.430728|2.137472|1.943940|1.969309|2.996617|0.060190|3.754052|3.006168|0.075743|28.891222|5.019567|7.911882|13.778605|36.858105| |2.429563|4.742579|2.755533|2.848929|2.788336|2.645759|2.574870|2.622569|2.431548|3.443919|2.279936|2.305662|2.057898|1.855687|1.847715|2.762329|0.054848|3.586491|2.779453|0.070749|26.122402|4.426848|6.825164|7.920973|13.708769|36.858105| |2.240962|4.329197|2.574884|2.655436|2.689204|2.636984|2.561539|2.532734|2.495765|3.661468|2.445943|2.546646|2.270918|2.006467|1.964108|2.918200|0.057021|4.054085|3.051953|0.076919|28.894261|5.021034|7.911444|6.883783|7.942826|13.697689|36.858105| |2.366890|4.606027|2.830839|2.926814|3.057344|3.084026|2.976716|2.856362|2.951212|4.482960|2.959998|3.123979|2.714925|2.343773|2.282840|3.434727|0.066244|5.156121|3.857721|0.093809|38.585784|7.562012|13.709855|7.953840|6.886118|7.920476|13.778703|36.858105| |2.198400|4.223016|2.386012|2.452132|2.364888|2.229388|2.182524|2.250729|2.060684|2.880367|1.934678|1.953697|1.775442|1.622282|1.615676|2.386032|0.047651|2.979484|2.290098|0.059456|20.475224|3.286265|4.445952|5.073116|7.701492|12.746632|7.522236|5.021392|36.858105| |2.294747|4.377174|2.410175|2.449092|2.304985|2.151624|2.128327|2.240597|1.960936|2.699057|1.819406|1.814438|1.657647|1.534296|1.540498|2.272480|0.045766|2.721547|2.100689|0.054666|18.365485|2.940099|3.812529|4.544359|6.748743|8.059631|5.304508|4.017628|15.656930|73.516695| |1.906939|3.635677|2.067125|2.135041|2.094580|1.993858|1.940490|1.972522|1.883594|2.653836|1.797822|1.839115|1.685952|1.535267|1.515649|2.218298|0.044091|2.811110|2.134234|0.056106|18.748565|2.903722|3.752298|3.966765|5.236228|7.843058|6.521912|4.444164|14.186148|15.170108|53.358707| |1.730376|3.260169|1.830029|1.878705|1.831680|1.744304|1.706885|1.744794|1.652818|2.312273|1.582030|1.614678|1.497733|1.377664|1.361053|1.975734|0.039415|2.431528|1.836610|0.048722|15.636260|2.381395|2.927014|3.094857|3.883130|5.016341|4.393041|3.334389|7.761132|12.212702|17.879621|36.858105| |1.682794|3.191446|1.777516|1.843998|1.786985|1.677683|1.628976|1.671507|1.587045|2.187199|1.488740|1.504010|1.392565|1.289266|1.282592|1.867863|0.037515|2.254384|1.725499|0.046257|14.619908|2.166794|2.607911|2.822042|3.498413|4.141796|3.545433|2.845592|5.908835|10.575826|10.262194|12.259467|36.858105| |1.696460|3.187980|1.745581|1.792467|1.710809|1.601110|1.569195|1.631347|1.500345|2.049642|1.401030|1.403830|1.305640|1.220664|1.221139|1.774933|0.035849|2.078349|1.591816|0.042602|13.291252|1.986134|2.354031|2.591941|3.186293|3.564674|3.014070|2.496482|4.898688|10.041316|7.237223|7.426841|12.699398|36.858105| |1.556568|2.902888|1.582285|1.620059|1.546019|1.450309|1.424485|1.481640|1.364244|1.857496|1.276799|1.277662|1.195547|1.124302|1.125643|1.628557|0.032964|1.876935|1.433709|0.038562|11.774044|1.743705|2.020420|2.201768|2.617221|2.849746|2.487660|2.122828|3.644697|7.293298|5.314921|5.117147|7.331598|14.168153|36.858105| |1.609616|2.977899|1.602053|1.625581|1.533614|1.436313|1.421499|1.493808|1.340164|1.814620|1.250115|1.243334|1.165565|1.103117|1.109393|1.604360|0.032604|1.812756|1.385932|0.037166|11.301886|1.687454|1.941575|2.138721|2.527888|2.674273|2.317327|2.006816|3.340677|6.963573|4.599284|4.126986|5.185140|8.697937|13.777832|53.358707| |1.526007|2.807048|1.505831|1.523806|1.437264|1.348783|1.337596|1.406526|1.260788|1.703674|1.177877|1.170041|1.100875|1.046113|1.053023|1.518507|0.030908|1.697271|1.295563|0.034822|10.462711|1.555873|1.768155|1.936036|2.247551|2.351092|2.068537|1.818256|2.847870|5.820816|3.912387|3.421467|4.130510|6.038965|8.952416|25.968334|0.500000| |1.803080|3.336535|1.780641|1.796529|1.677533|1.565494|1.556754|1.650592|1.445533|1.954048|1.342106|1.329730|1.241857|1.175226|1.185293|1.720702|0.035013|1.939608|1.487282|0.039621|12.223300|1.851867|2.156602|2.421295|2.924116|3.059608|2.573402|2.211162|3.902189|8.716675|5.094150|4.408454|5.253807|8.646494|8.667124|19.720699|0.257259|36.858105| |1.881334|3.521367|1.900614|1.931673|1.814283|1.690986|1.672093|1.762716|1.562491|2.123438|1.450254|1.442509|1.339467|1.257866|1.265031|1.843685|0.037376|2.124590|1.632107|0.043359|13.641590|2.076463|2.475331|2.797987|3.506854|3.793414|3.090200|2.572651|5.242028|12.360980|6.825335|6.091451|7.547545|13.775108|8.747547|12.200095|0.171492|14.559173|53.358707| |2.063487|3.879631|2.093340|2.121424|1.982004|1.843903|1.827837|1.935672|1.689985|2.299773|1.564364|1.553533|1.435487|1.344443|1.353682|1.981272|0.040143|2.296022|1.768257|0.046643|14.958873|2.315244|2.817983|3.254442|4.248988|4.604049|3.570379|2.918463|6.732687|18.846641|7.897667|6.387788|6.918542|9.043332|6.059067|8.330951|0.130896|9.111790|25.562900|0.500000| |17.670055|16.979755|5.892211|4.425966|3.418814|3.174731|3.616529|4.894348|2.538015|3.145925|2.159237|1.939923|1.782771|1.787483|1.946923|2.941266|0.063921|2.643394|2.104224|0.054134|16.038519|2.530280|2.545321|2.928852|2.760289|2.329115|2.122705|2.198213|2.154323|4.061964|2.546427|1.716983|1.684578|1.719548|1.587158|2.256370|0.043827|1.863134|2.616145|0.058330|0.500000| |17.581798|16.425018|7.086608|4.810930|3.827175|3.748931|4.589917|6.712429|2.927947|3.569663|2.478883|2.168043|1.992303|2.035352|2.272245|3.467074|0.077160|2.885305|2.298550|0.058753|16.880729|2.650197|2.540620|2.814477|2.547683|2.174621|2.041342|2.172658|1.972915|3.625824|2.363889|1.584043|1.541261|1.548925|1.430589|2.007322|0.039018|1.635449|2.314019|0.051340|0.300052|0.500000| |17.571563|16.412681|6.963299|4.708775|3.755368|3.690848|4.538292|6.674980|2.881581|3.654717|2.527907|2.261743|2.069877|2.072673|2.262968|3.437741|0.074231|3.061984|2.413147|0.060602|18.334985|3.047994|3.010288|3.421950|3.097616|2.592866|2.400851|2.545265|2.325776|4.308614|2.727356|1.808594|1.735865|1.746354|1.593986|2.241519|0.043228|1.853697|2.645997|0.059649|0.300019|0.298394|0.500000| |4.871076|13.503498|8.951488|17.743474|8.904747|5.618256|4.976360|5.658245|4.093404|4.545109|2.810763|2.441697|2.115200|2.043436|2.237394|3.603347|0.078784|3.489326|3.059075|0.080249|24.847197|3.494956|3.427516|4.091887|3.554347|2.836982|2.585552|2.772258|2.491174|4.481189|2.946827|1.917478|1.910961|1.869389|1.691921|2.318019|0.044344|1.885011|2.751046|0.061524|0.121718|0.121262|0.118668|0.500000| |3.334417|7.638871|5.650151|8.996049|17.713381|8.889139|5.668257|4.956236|7.030049|6.731801|3.753480|3.136237|2.590327|2.447127|2.698407|4.568580|0.099694|4.594213|4.455660|0.120430|35.302235|4.196271|3.724553|3.996568|3.277796|2.738521|2.646229|2.982740|2.339526|4.026172|2.851927|1.834070|1.805724|1.716985|1.553007|2.083344|0.039834|1.663310|2.454282|0.054412|0.082414|0.089027|0.087443|0.215897|0.500000| |3.921762|7.492057|5.670214|4.972233|5.655132|8.877363|17.686474|9.019590|6.883491|8.722440|6.217637|4.508604|3.816571|3.926390|4.842510|8.977689|0.212818|5.521739|4.491372|0.105488|28.240810|4.438682|3.491512|3.393215|2.754204|2.404386|2.439531|2.852343|2.048787|3.534793|2.506005|1.626635|1.542062|1.483681|1.351463|1.833386|0.035287|1.468836|2.142473|0.047613|0.089228|0.113599|0.112916|0.107892|0.123928|0.500000| |7.401011|12.486711|8.860336|5.630857|4.960757|5.632250|8.954332|17.768917|4.082350|5.059644|3.522182|2.960088|2.654893|2.708964|3.097327|4.931007|0.110502|3.866216|3.085748|0.075674|22.066918|3.646242|3.252106|3.455412|2.913721|2.472630|2.395993|2.673427|2.149346|3.829966|2.571694|1.684837|1.606567|1.578491|1.439660|1.985970|0.038278|1.613400|2.330104|0.052129|0.145074|0.219669|0.224204|0.124094|0.107651|0.219791|0.500000| |2.759264|5.543345|3.971629|4.349645|5.981271|8.823964|6.568807|4.547617|17.550355|12.525063|7.285647|4.828560|3.855808|3.835633|4.706786|9.536220|0.236536|6.075695|5.700362|0.152688|30.830066|3.783189|3.009420|2.881049|2.397303|2.140188|2.191387|2.542152|1.847607|3.148829|2.316409|1.511308|1.456691|1.385376|1.269172|1.702278|0.032836|1.343422|1.961475|0.043036|0.067123|0.078978|0.075142|0.100820|0.155969|0.181308|0.107213|0.500000| |2.675951|5.577253|3.982807|4.811068|7.373769|8.908092|5.579862|4.176623|17.628337|12.586944|5.898708|4.521950|3.490792|3.228228|3.614988|6.602577|0.141252|6.558897|7.270857|0.209802|42.453396|4.444252|3.529262|3.374940|2.758805|2.439644|2.496128|2.923527|2.075840|3.497351|2.598843|1.674758|1.620637|1.524017|1.385550|1.843816|0.035373|1.455525|2.146532|0.047236|0.066033|0.073911|0.072856|0.114221|0.227655|0.139219|0.096188|0.305935|0.500000| |1.818296|3.361007|2.143556|2.141364|2.414593|2.848108|2.850896|2.429231|3.294527|5.926422|5.623560|8.997497|17.741059|8.741313|5.651911|6.768623|0.109566|9.019381|4.523250|0.113386|24.259051|3.435339|2.776822|2.367232|2.058753|2.017185|2.253875|2.678627|1.750309|2.890280|2.285556|1.495457|1.383541|1.292276|1.184328|1.566150|0.030191|1.221714|1.795264|0.039165|0.045945|0.050579|0.052978|0.053762|0.064684|0.088774|0.065658|0.089152|0.084051|0.500000| |1.831682|3.313234|2.101001|2.047283|2.271573|2.712970|2.838189|2.434897|3.067952|5.060520|4.997408|5.671974|8.748401|17.773544|9.119555|7.777143|0.127878|5.560616|3.377812|0.086695|18.841916|2.716275|2.259212|2.023234|1.779322|1.713547|1.850418|2.130102|1.514420|2.553567|1.962044|1.303158|1.219345|1.157415|1.070401|1.430735|0.027758|1.116577|1.620750|0.035228|0.046132|0.052203|0.053088|0.051161|0.059807|0.091956|0.067541|0.088617|0.076044|0.211123|0.500000| |2.155011|3.892280|2.517815|2.418310|2.704280|3.362558|3.641917|3.022351|3.793300|5.806707|5.799844|4.987967|5.586176|8.910333|17.802485|12.449771|0.227787|5.022938|3.429023|0.087984|19.126628|2.738285|2.262551|2.093477|1.822082|1.707559|1.795998|2.054743|1.508943|2.577548|1.927038|1.280715|1.212038|1.160954|1.074956|1.447613|0.028128|1.135224|1.640083|0.035719|0.053410|0.063043|0.061578|0.059270|0.069587|0.124583|0.084016|0.118043|0.089481|0.123046|0.213400|0.500000| |1.955087|3.757090|2.440662|2.560604|3.005603|3.470923|3.189207|2.670123|4.198317|8.171278|6.075464|9.222261|6.669998|4.508411|3.975191|5.981967|0.102891|25.992801|9.097418|0.220451|43.221640|5.101652|3.864458|3.105783|2.615324|2.559693|2.938392|3.691028|2.146831|3.460007|2.801465|1.784776|1.651095|1.511726|1.366925|1.786726|0.034145|1.396722|2.085372|0.045788|0.049417|0.053219|0.056477|0.064480|0.083329|0.092948|0.068945|0.103783|0.114005|0.184266|0.105445|0.090313|0.500000| |3.328792|6.726075|4.708095|4.746462|5.363885|6.233458|6.177190|5.285044|5.381803|8.422608|5.061356|4.676332|3.693566|3.244193|3.370943|5.581186|0.108713|7.334597|6.191129|0.130687|56.262216|17.637264|8.877669|7.140536|4.731184|3.974147|4.216662|5.668026|3.047098|5.006363|3.617281|2.220779|2.044561|1.908171|1.686406|2.247042|0.042455|1.820557|2.749243|0.062581|0.080139|0.085986|0.100057|0.110608|0.129684|0.158813|0.127605|0.117874|0.132632|0.092363|0.077531|0.082176|0.123506|0.500000| |2.585115|5.008003|3.283133|3.326058|3.722043|4.226565|4.145465|3.619784|4.228248|7.383100|4.900113|5.371756|4.264224|3.467900|3.351040|5.230247|0.096340|9.477458|6.514938|0.135544|56.463604|17.637292|8.865938|5.654911|4.212306|3.972073|4.731689|7.150590|3.037633|4.817539|3.744586|2.281057|2.051308|1.879121|1.659450|2.182727|0.041204|1.749143|2.657115|0.060038|0.064251|0.067850|0.077597|0.082020|0.096873|0.116109|0.093140|0.097877|0.108910|0.111748|0.083383|0.079921|0.165418|0.300683|0.500000| |3.773260|8.207666|5.254748|5.645460|5.322019|4.749079|4.531003|4.722931|3.839579|5.115610|3.160001|2.950468|2.504793|2.290662|2.386281|3.780531|0.077078|4.525016|3.846299|0.093583|38.007260|7.003452|8.903520|17.719631|8.946002|5.643468|4.957790|5.649831|4.138920|6.990122|4.527078|2.710840|2.542894|2.389959|2.063925|2.765178|0.051520|2.298482|3.540028|0.083073|0.094197|0.090875|0.111077|0.146030|0.134117|0.107449|0.113344|0.088760|0.104190|0.064938|0.057005|0.060900|0.083543|0.213973|0.143309|0.500000| |3.065559|6.223220|3.485445|3.627301|3.313734|2.974011|2.901796|3.104955|2.588875|3.484761|2.269150|2.199953|1.951578|1.801769|1.841647|2.796559|0.056834|3.331437|2.681264|0.068522|24.761346|4.092582|5.635896|8.923862|17.757633|8.935402|5.654587|4.962075|7.196298|13.363533|6.618447|3.822634|3.606993|3.414537|2.796909|3.744889|0.067645|3.258504|5.318658|0.134632|0.082597|0.073483|0.089683|0.104283|0.089070|0.072534|0.080031|0.063212|0.072042|0.052053|0.046028|0.047811|0.064413|0.112186|0.097011|0.215655|0.500000| |2.003262|3.816544|2.252136|2.310737|2.346297|2.319367|2.262423|2.230976|2.231945|3.290395|2.238009|2.364446|2.146997|1.897648|1.838593|2.691841|0.052406|3.733581|2.744817|0.070177|24.797893|4.107789|5.652011|4.959214|5.634404|8.852352|17.725593|8.989843|6.869467|8.641677|9.664866|4.798328|3.673640|3.050491|2.524621|3.154200|0.057479|2.534081|4.141353|0.095676|0.053087|0.051158|0.059444|0.062724|0.064484|0.060609|0.059245|0.055198|0.062108|0.060041|0.049088|0.046847|0.076656|0.097383|0.112795|0.107634|0.123964|0.500000| |2.165545|4.161172|2.569559|2.643809|2.812086|2.912472|2.816906|2.648451|2.883540|4.530249|3.062172|3.367552|2.949406|2.487834|2.370758|3.519060|0.066757|5.683463|4.014097|0.097390|37.840146|7.006302|8.900879|5.648464|4.959224|5.644903|8.954574|17.720732|4.090407|5.969213|5.243910|3.011186|2.573619|2.260538|1.951673|2.505801|0.046680|2.001469|3.128068|0.071096|0.055809|0.056035|0.064554|0.069090|0.076521|0.076735|0.069451|0.069633|0.079101|0.082477|0.062923|0.058754|0.116552|0.143697|0.214826|0.124060|0.107687|0.218194|0.500000| |1.836178|3.511973|2.024735|2.106238|2.101264|2.015362|1.945757|1.949527|1.930442|2.749363|1.861048|1.924337|1.760252|1.587818|1.557140|2.277758|0.045006|2.977288|2.248732|0.059292|19.908400|3.036742|3.919443|3.943621|4.932530|7.432081|7.313621|4.880821|9.424988|10.894245|26.098629|9.038060|6.051245|4.332138|3.370128|3.977633|0.070523|3.152391|5.461085|0.124245|0.049661|0.046784|0.053514|0.058905|0.058759|0.051510|0.051670|0.048324|0.054598|0.048968|0.041366|0.040204|0.061176|0.075572|0.080634|0.090923|0.121676|0.245066|0.119978|0.500000| |1.751473|3.261535|1.814186|1.837277|1.776003|1.699345|1.682644|1.734869|1.600135|2.238040|1.541777|1.570550|1.465200|1.355566|1.340564|1.938190|0.038716|2.342513|1.758749|0.046405|14.788604|2.294364|2.798715|2.974976|3.715909|4.672957|4.075758|3.150642|7.090492|12.576512|12.533864|17.612169|8.720852|7.378903|5.236610|6.038000|0.101582|4.889422|9.153514|0.197478|0.048495|0.044442|0.051172|0.051943|0.048942|0.044679|0.046939|0.040795|0.044688|0.040618|0.035722|0.035155|0.047535|0.060128|0.061412|0.073017|0.103077|0.122324|0.079266|0.185409|0.500000| |1.596955|2.997530|1.694131|1.739966|1.714313|1.646698|1.609097|1.630291|1.578645|2.224421|1.531121|1.576363|1.470496|1.348918|1.324362|1.911521|0.037984|2.375845|1.777641|0.047373|14.968500|2.255013|2.720840|2.788295|3.356731|4.285422|4.060127|3.152664|5.800017|8.932754|12.704611|17.637005|8.801846|5.771127|4.473851|4.895106|0.085467|3.672433|6.362135|0.131212|0.043870|0.040934|0.046327|0.049056|0.047823|0.042889|0.043804|0.040241|0.044484|0.041058|0.035567|0.034592|0.048868|0.058023|0.060814|0.068120|0.089919|0.129065|0.081429|0.235300|0.304821|0.500000| |1.540191|2.913040|1.628941|1.693566|1.654164|1.559779|1.510382|1.539842|1.489959|2.056858|1.405663|1.425604|1.325906|1.227972|1.218089|1.766574|0.035439|2.133747|1.626601|0.043915|13.622527|1.988565|2.347186|2.489441|2.980530|3.476571|3.120596|2.568205|4.565904|7.935004|7.946583|8.753301|17.597794|9.092490|7.001155|6.448402|0.109149|4.437352|7.678472|0.140339|0.042798|0.039483|0.043975|0.048665|0.046653|0.039892|0.041147|0.038169|0.042389|0.036729|0.032360|0.032009|0.043677|0.052026|0.052703|0.062848|0.084205|0.091332|0.065832|0.144560|0.185059|0.232069|0.500000| |1.764415|3.391055|1.896311|1.993491|1.933609|1.795340|1.725582|1.767090|1.695162|2.322315|1.565318|1.573850|1.445494|1.334990|1.332696|1.954597|0.039330|2.373989|1.839329|0.049457|15.822062|2.312914|2.807160|3.087125|3.877570|4.513980|3.756109|3.023197|6.304643|11.011488|10.226726|8.781502|17.578174|8.998122|5.909599|6.194603|0.103240|4.756201|9.069833|0.182528|0.048951|0.044773|0.050271|0.057819|0.054698|0.045050|0.046765|0.043000|0.048417|0.039730|0.034914|0.034910|0.048205|0.060461|0.060013|0.077227|0.112184|0.104875|0.074930|0.173258|0.179644|0.186817|0.304593|0.500000| 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