Version2.1 2021-01-19T11:32:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccccc1NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc4ccccc4)CCC3 C16192984 RHF 6-31G(d) (6D,7F) CCOc1ccccc1NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc4ccccc4)CCC3 C01[X(C25H28N3O3S1)] 174 C1 540 CCOc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCC2 CCOc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCC2 CCOc1ccccc1NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]Cc4ccccc4 InChIKey=JWUVUUNZYOYSHQ-UHFFFAOYSA-O InChI=1S/C25H27N3O3S/c1-2-31-20-13-7-6-12-19(20)27-24(30)23-18-11-8-14-21(18)32-25(23)28-22(29)16-26-15-17-9-4-3-5-10-17/h3-7,9-10,12-13,26H,2,8,11,14-16H2,1H3,(H,27,30)(H,28,29)/p+1 InChI=1/C25H27N3O3S/c1-2-31-20-13-7-6-12-19(20)27-24(30)23-18-11-8-14-21(18)32-25(23)28-22(29)16-26-15-17-9-4-3-5-10-17/h3-7,9-10,12-13,26H,2,8,11,14-16H2,1H3,(H,27,30)(H,28,29)/p+1/fC25H28N3O3S/h26-28H/q+1 CCOc1ccccc1NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc4ccccc4)CCC3 C01[X(C25H28N3O3S1)] 174 C01 540 CCOc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCC2 CCO[C]1[CH][CH][CH][CH][C]1[NH][C]([O])[C]1=[C](SC2=[C]1CCC2)[NH][C](=O)C[NH2]C[C]1[CH][CH][CH][CH][CH]1 CCO[C]1[CH][CH][CH][CH][C]1N[C]([O])c2c(NC(=O)C[NH2]C[C]3[CH][CH][CH][CH][CH]3)sc4CCCc24 InChIKey=ABQGUIPJZUZMHF-UHFFFAOYSA-N InChI=1S/C25H28N3O3S/c1-2-31-20-13-7-6-12-19(20)27-24(30)23-18-11-8-14-21(18)32-25(23)28-22(29)16-26-15-17-9-4-3-5-10-17/h3-7,9-10,12-13H,2,8,11,14-16,26H2,1H3,(H,27,30)(H,28,29) InChI=1/C25H28N3O3S/c1-2-31-20-13-7-6-12-19(20)27-24(30)23-18-11-8-14-21(18)32-25(23)28-22(29)16-26-15-17-9-4-3-5-10-17/h3-7,9-10,12-13H,2,8,11,14-16,26H2,1H3,(H,27,30)(H,28,29)/f/h27-28H 3165.1167380478 -1748.2913445 1-A 25678.4431 119 421 540 |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| -92.06635 -20.68125 -20.66304 -20.62137 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0.8220 0.8551 0.8357 0.8568 0.4256 0.7728 0.8571 0.7939 0.4617 0.8547 0.2017 0.2902 0.3623 0.1342 0.3142 0.6448 0.2336 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 6 6 8 6 6 6 6 6 6 7 6 8 6 6 6 16 6 7 6 8 6 7 1 1 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8372.1591 39011.2428 45792.9875 0.99997 -0.00716 0.00280 0.00717 0.99997 -0.00191 -0.00278 0.00193 0.99999 1 0.01035 0.00222 0.00189 0.21556 0.04626 0.03941 9.22 20.11 25.76 34.72 55.51 66.01 80.50 87.34 93.95 102.66 116.52 142.79 170.01 178.16 185.60 208.95 214.10 260.88 274.68 295.72 305.92 335.92 367.51 370.44 413.44 442.15 489.39 501.37 522.89 528.11 537.11 546.89 590.98 618.35 652.09 698.58 734.06 778.18 786.82 826.20 855.07 870.47 890.60 913.24 917.55 947.68 956.70 975.58 977.14 1015.75 1049.02 1116.42 1136.25 1163.96 1171.86 1215.40 1221.34 1226.53 1249.75 1261.83 1267.70 1275.89 1286.70 1302.20 1318.03 1346.02 1378.93 1405.18 1406.93 1424.53 1446.58 1452.56 1462.80 1507.93 1530.67 1539.57 1569.23 1575.16 1583.28 1598.40 1600.95 1620.90 1623.71 1639.07 1643.79 1653.65 1658.54 1672.60 1676.14 1713.71 1757.26 1768.30 1777.87 1809.16 1812.69 1844.17 1849.98 1869.31 1877.70 1890.23 1903.51 1910.02 1933.06 1941.70 1954.61 1956.36 1992.35 2038.32 2065.01 2071.12 2078.87 2087.30 2111.19 2115.75 2124.08 2141.53 2147.57 2186.27 2215.20 2224.17 2237.89 2276.23 2286.12 2329.74 2337.57 2339.20 2343.98 2344.85 2348.75 2365.64 2368.74 2370.04 2391.84 2395.46 2404.70 2423.01 2494.70 2533.72 2568.70 2570.73 2597.40 2598.77 2610.18 2644.44 2690.15 2788.71 4612.75 4626.77 4627.87 4637.45 4661.83 4684.17 4695.12 4695.31 4709.24 4717.45 4731.03 4738.68 4740.39 4802.14 4804.77 4823.06 4823.52 4852.80 4868.05 4878.80 4885.22 4900.26 4914.33 4985.43 5183.13 5236.74 5333.38 5629.21 0.536613 0.564812 0.565756 0.471176 -1747.754732 -1747.726533 -1747.725588 -1747.820168 3.172229D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE CCOc1ccccc1NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc4ccccc4)CCC3 C16192984 RHF 6-31G(d) (6D,10F) C1 450.185139 |X|Y|Z| 144.172124 65.389767 24.837598 61.635874 27 6 7 16 23 3 1 |36.858105| |12.581627|36.858105| |8.042195|13.479316|73.516695| |5.209548|7.948007|24.996911|36.858105| |4.398010|6.694083|13.983281|13.798629|36.858105| |3.335102|4.498828|9.228707|7.941970|13.706853|36.858105| |2.974395|3.783920|8.213381|6.873777|7.943342|13.836230|36.858105| |3.189158|3.968225|9.395298|7.915743|6.865306|7.942906|13.708050|36.858105| |4.069790|5.224411|14.527723|13.580868|7.903840|6.863620|7.931929|13.782383|36.858105| |4.120960|4.751250|13.022264|7.978848|5.196193|4.548165|5.106082|7.688642|13.454351|53.358707| |3.301305|3.598573|8.686330|5.201519|3.916983|3.684514|4.302003|6.247351|7.684087|19.365565|36.858105| |2.795737|3.085413|7.099825|4.496041|3.641527|3.647239|4.509495|6.592730|6.600486|11.514916|15.620542|73.516695| |3.174294|3.231746|7.350299|4.010557|3.142086|2.911434|3.233750|4.215931|5.040600|10.770523|12.766608|14.371468|36.858105| |3.535614|3.391138|7.483493|3.777684|2.968609|2.668225|2.839217|3.526265|4.330926|8.645905|7.190659|9.114904|13.163507|36.858105| |2.996342|2.809618|5.860735|2.993785|2.460955|2.250180|2.381291|2.856999|3.334058|6.024649|5.060640|7.252947|8.196327|14.250919|36.858105| |2.442969|2.364459|4.893486|2.619879|2.211617|2.084960|2.253014|2.693189|2.988910|5.197419|4.730110|7.463501|7.328142|7.421613|11.035637|388.023441| |2.623061|2.643158|5.714063|3.168683|2.614672|2.489960|2.775732|3.475547|3.851105|7.092456|7.654867|12.002281|13.964450|8.260340|7.794102|78.110350|36.858105| |2.301270|2.370990|5.061948|2.920156|2.483033|2.440918|2.786333|3.460331|3.594047|6.123710|6.547272|12.931592|7.829274|5.220842|4.984055|49.130532|13.624730|53.358707| |2.001066|2.043644|4.237819|2.435856|2.130397|2.113604|2.384450|2.843866|2.892107|4.667095|4.502076|8.858402|5.178179|4.017443|4.121623|42.748780|7.805534|19.533027|36.858105| |1.896319|1.903344|3.879777|2.189046|1.926375|1.894001|2.096191|2.452175|2.528613|4.056178|3.732209|6.937734|4.470576|3.777033|4.144657|46.326143|6.559199|11.430759|15.830504|73.516695| |1.810022|1.877355|3.855733|2.268185|2.033132|2.066123|2.360627|2.758269|2.687757|4.120791|3.822848|8.017670|3.951355|3.148764|3.130961|28.874151|5.061916|10.770764|12.446394|14.405801|36.858105| |1.624295|1.666608|3.354339|1.949976|1.772268|1.795110|2.010622|2.285480|2.243467|3.383711|2.997516|5.986343|3.152826|2.662613|2.727863|25.026968|3.925100|7.157973|7.855126|13.113040|12.824410|53.358707| |1.632070|1.671008|3.349200|1.939787|1.765777|1.782214|1.982347|2.241601|2.213737|3.325496|2.914578|5.762436|3.056455|2.599875|2.661711|24.133415|3.753370|6.640131|6.825323|11.721316|9.249455|25.679407|0.500000| |1.612164|1.637151|3.282923|1.885768|1.706370|1.712424|1.900686|2.161686|2.153533|3.286577|2.902069|5.628670|3.161501|2.726489|2.871040|27.240268|4.024622|7.037875|8.058536|16.516840|9.412018|25.524150|0.331398|0.500000| |1.460636|1.506085|2.999764|1.757099|1.624283|1.664737|1.863181|2.074673|2.001584|2.943314|2.535546|5.073133|2.594618|2.239064|2.273985|19.886876|3.070707|5.279495|5.029101|8.527278|7.483756|17.157972|0.255673|0.252190|36.858105| |1.344439|1.375017|2.704088|1.568936|1.459501|1.487470|1.639784|1.801776|1.755551|2.568307|2.165742|4.220388|2.239718|1.987798|2.046010|17.681327|2.612898|4.261464|3.924054|7.147876|4.964070|10.502973|0.202862|0.196313|12.669273|36.858105| |1.282941|1.301942|2.546202|1.465183|1.362211|1.380056|1.509688|1.655372|1.627163|2.391080|2.001795|3.830054|2.104866|1.905336|1.992096|17.238054|2.454928|3.880880|3.540598|6.780831|4.118352|7.964310|0.149935|0.173925|7.592652|13.698346|36.858105| |1.195387|1.207618|2.340416|1.340139|1.252569|1.265468|1.371485|1.490269|1.471239|2.149350|1.773158|3.351317|1.864133|1.715329|1.799398|15.280761|2.139197|3.288109|2.900308|5.585693|3.229595|5.808521|0.116715|0.125850|5.037184|7.922785|13.766155|36.858105| |1.163778|1.177687|2.272963|1.303306|1.224497|1.239144|1.338550|1.444673|1.423474|2.063108|1.688921|3.194673|1.757325|1.617398|1.683227|14.087583|1.992241|3.051479|2.641153|4.985596|2.954377|5.208053|0.110242|0.107687|4.453752|6.867412|7.942492|13.738147|36.858105| |1.208279|1.230108|2.381419|1.373712|1.292836|1.314278|1.425746|1.537761|1.505879|2.171918|1.782296|3.407574|1.831796|1.665481|1.713876|14.312207|2.071738|3.222594|2.785600|5.119252|3.219567|5.746694|0.126613|0.112230|5.036345|7.921740|6.867325|7.926624|13.746522|36.858105| |1.299047|1.330391|2.599550|1.509560|1.414626|1.444231|1.583180|1.721425|1.674612|2.422588|2.015268|3.915322|2.058936|1.837924|1.878073|15.884029|2.354838|3.775142|3.338486|5.992857|4.098856|7.810639|0.172996|0.142450|7.593631|13.705735|7.923926|6.868306|7.943154|13.757219|36.858105| |3.035358|2.722590|5.430229|2.699261|2.261897|2.046818|2.114544|2.460593|2.864644|4.893033|3.786188|5.602503|5.153139|7.973772|12.684165|45.878428|4.829198|4.877588|3.151551|5.767211|2.528135|3.104449|0.062242|0.066805|1.953114|1.795660|1.770414|1.626621|1.527980|1.542919|1.664143|36.858105| |3.735718|3.255082|6.487994|3.101021|2.556059|2.259347|2.297000|2.670106|3.202798|5.470559|3.930807|5.652371|4.977222|7.970728|8.096365|33.350673|4.193559|4.372234|2.766572|4.881023|2.299000|2.792547|0.055917|0.059000|1.788152|1.636511|1.601877|1.474059|1.393659|1.415253|1.527347|12.286484|36.858105| |4.513312|4.077606|8.845060|4.094017|3.178708|2.748249|2.812363|3.390890|4.320706|8.073632|5.483022|7.248497|6.933647|12.586506|8.121455|34.383636|5.005727|5.072859|3.050023|5.170807|2.533970|2.995995|0.060087|0.062253|1.905048|1.717596|1.654985|1.510410|1.434607|1.473666|1.607167|7.641514|12.279942|36.858105| |17.565984|8.895505|10.225975|4.230191|3.850648|3.007059|2.654695|2.767689|3.375978|4.561076|2.781534|4.299707|2.692722|2.970574|2.602553|15.402338|2.288989|2.773916|1.800702|3.055485|1.643989|2.029565|0.041688|0.041142|1.351293|1.252557|1.198720|1.123088|1.096459|1.136478|1.215156|2.679617|3.225584|3.672030|0.500000| |17.573566|8.853754|12.845411|4.843128|4.010993|3.129532|2.859735|3.118249|3.978234|5.707871|3.379693|5.014774|3.332778|3.864625|3.256865|18.306634|2.726560|3.202355|2.039233|3.450147|1.828119|2.227598|0.045377|0.045388|1.470199|1.350955|1.295857|1.205178|1.166844|1.205779|1.296728|3.378201|4.408184|5.301594|0.301026|0.500000| |17.571930|8.856066|12.878504|4.856822|4.014354|3.131946|2.863051|3.124155|3.992499|5.726518|3.444064|5.145732|3.382287|3.794625|3.230817|18.654023|2.801456|3.316244|2.115922|3.576180|1.896711|2.321703|0.047924|0.047081|1.520847|1.402559|1.336058|1.245558|1.214796|1.263236|1.358091|3.262738|3.915464|4.762753|0.300937|0.300175|0.500000| |8.851332|17.568929|16.532109|7.084574|6.803478|4.612972|3.766523|3.807549|4.772771|5.735914|3.256821|5.064542|2.921174|3.055226|2.565933|15.491501|2.420676|2.985594|1.905590|3.159674|1.766243|2.139025|0.043533|0.042898|1.433305|1.309302|1.243394|1.154342|1.124205|1.171462|1.264988|2.506697|3.008927|3.656562|0.212684|0.212355|0.173357|0.500000| |8.852899|17.569341|16.541128|7.107458|6.809480|4.615853|3.769367|3.812114|4.786914|5.742863|3.308621|5.191512|2.949962|3.016272|2.550346|15.683565|2.469460|3.073456|1.965586|3.252386|1.826000|2.219877|0.045723|0.044279|1.478875|1.355066|1.277852|1.188873|1.166120|1.223078|1.320755|2.456289|2.834980|3.460632|0.213061|0.173353|0.212112|0.300802|0.500000| |4.695732|7.462563|12.533642|8.920539|17.772915|8.934536|5.662688|4.952414|5.624764|5.733682|3.296345|5.430458|2.769637|2.691992|2.273812|14.455015|2.340684|3.011637|1.926672|3.137181|1.837329|2.210624|0.045093|0.043638|1.495138|1.356422|1.272176|1.177287|1.153682|1.214620|1.319802|2.136495|2.426447|2.944315|0.118729|0.115224|0.115176|0.228344|0.227939|0.500000| |2.981027|3.904575|7.448006|5.657860|8.932801|17.728297|8.928147|5.643171|4.948009|4.927092|3.056291|5.438066|2.501362|2.321396|1.998016|13.269622|2.186975|2.939938|1.904321|3.059419|1.879985|2.252463|0.045710|0.043857|1.551242|1.396177|1.297713|1.196043|1.175226|1.246095|1.362516|1.840402|2.019089|2.395675|0.076869|0.077527|0.077546|0.113938|0.113940|0.216607|0.500000| |2.548429|3.127941|6.516236|4.953488|5.644273|8.931683|17.730896|8.931630|5.653100|5.631102|3.729426|7.239570|2.889130|2.530428|2.168712|14.892187|2.559398|3.581452|2.295063|3.584393|2.326301|2.709255|0.054350|0.051927|1.872393|1.644829|1.508847|1.369938|1.339594|1.431098|1.591947|1.930620|2.067789|2.472758|0.064290|0.068484|0.068538|0.087180|0.087206|0.124384|0.214512|0.500000| |2.799816|3.321082|7.603371|5.644239|4.956962|5.659518|8.913637|17.832757|8.966941|9.512532|6.788732|14.948571|4.462081|3.558133|2.918580|20.232519|3.789283|5.357994|3.198713|4.787528|3.158710|3.469527|0.068699|0.066310|2.311401|1.971720|1.798152|1.602180|1.546386|1.651357|1.868773|2.463455|2.611654|3.267970|0.068150|0.077102|0.077246|0.088501|0.088591|0.107667|0.124242|0.215614|0.500000| |5.004881|5.535970|15.968719|7.772255|4.977614|4.114602|4.305418|5.768317|9.397317|26.101294|9.494526|10.871553|7.581714|7.349795|4.866933|27.610120|4.936763|5.512470|3.167296|5.043656|2.752128|3.148481|0.063457|0.063224|2.013123|1.781238|1.674395|1.516568|1.455824|1.523176|1.683509|4.064985|4.801731|7.882813|0.108291|0.145269|0.143157|0.131629|0.129770|0.117446|0.093160|0.098371|0.143663|0.500000| |2.357781|2.487575|5.395272|3.213492|2.728359|2.725690|3.200678|4.089801|4.113821|6.909536|7.812950|18.875164|7.534985|4.848192|4.328668|37.473287|9.521209|25.712884|9.322978|10.724133|7.480867|6.567182|0.125125|0.124983|3.752038|2.989767|2.677985|2.277730|2.138042|2.284391|2.689360|3.229243|3.027199|3.614721|0.057812|0.066473|0.068798|0.064056|0.066044|0.066452|0.066336|0.084098|0.134908|0.120264|0.500000| |1.749930|1.823926|3.742724|2.219310|2.002465|2.053873|2.365047|2.753220|2.638964|4.001060|3.676697|7.789420|3.730562|3.004382|2.966239|26.588510|4.610225|9.185297|8.857958|11.533540|17.606941|12.377487|0.181504|0.209608|7.256842|4.689696|4.013314|3.121586|2.809413|3.010399|3.785728|2.421004|2.231425|2.449802|0.044233|0.049378|0.050406|0.048136|0.049039|0.050188|0.052045|0.065387|0.088726|0.073878|0.187624|0.500000| |1.859862|1.952314|4.027522|2.403638|2.163868|2.220491|2.565018|3.000159|2.872688|4.323784|3.997565|8.748926|3.904542|3.065913|2.960789|26.033074|4.733658|9.791213|8.680639|10.690647|17.636471|12.297387|0.229994|0.183345|6.418025|4.482048|3.621384|2.939592|2.785320|3.120008|3.977374|2.406765|2.229062|2.501255|0.046871|0.051676|0.054221|0.050837|0.053196|0.053987|0.056006|0.070560|0.096432|0.078957|0.216310|0.300759|0.500000| |1.441293|1.486564|2.963225|1.737513|1.606374|1.649184|1.850360|2.062244|1.983756|2.920212|2.516011|5.026869|2.581000|2.236355|2.274368|19.833587|3.046620|5.187828|4.861022|8.263512|6.916810|12.422162|0.181192|0.220814|17.629292|8.813262|7.074117|4.697940|3.965910|4.203688|5.656809|1.956504|1.796539|1.905185|0.037034|0.040533|0.041447|0.039511|0.040324|0.041045|0.042693|0.051768|0.064101|0.055467|0.102489|0.218820|0.157011|0.500000| |1.465358|1.524594|3.040035|1.799799|1.675355|1.734398|1.955131|2.164306|2.056719|2.980224|2.553923|5.205212|2.540598|2.173300|2.167426|18.503502|2.937951|5.067298|4.562710|7.348793|6.988592|12.379687|0.218277|0.179472|17.631179|8.820488|5.627071|4.193470|3.968824|4.719766|7.145579|1.864039|1.730101|1.863869|0.037670|0.040761|0.042307|0.040332|0.041791|0.042710|0.044985|0.055068|0.067402|0.056126|0.104190|0.190117|0.191883|0.300888|0.500000| |1.301474|1.318533|2.584858|1.485027|1.375691|1.391347|1.524288|1.679110|1.654093|2.445706|2.056474|3.921230|2.182739|1.981034|2.085147|18.203977|2.564547|4.039654|3.710606|7.226346|4.218864|7.796780|0.137647|0.181783|7.015242|8.875774|17.687774|8.936607|5.649990|4.946918|5.630914|1.849638|1.667286|1.713504|0.033722|0.036712|0.037549|0.035057|0.035758|0.035646|0.036263|0.042243|0.050789|0.047619|0.076691|0.118378|0.099592|0.211430|0.142586|0.500000| |1.152274|1.159175|2.237968|1.276054|1.193251|1.201965|1.296912|1.406517|1.394270|2.038783|1.672567|3.132573|1.769190|1.647291|1.739827|14.685826|2.020648|3.051787|2.656543|5.175358|2.869890|4.941524|0.098163|0.109516|4.105042|5.641155|8.930689|17.735828|8.907542|5.641229|4.951036|1.588640|1.437085|1.458819|0.030139|0.032365|0.033295|0.030848|0.031630|0.031248|0.031600|0.035925|0.041828|0.040170|0.058512|0.078019|0.072322|0.111459|0.096612|0.215992|0.500000| |1.103231|1.113202|2.135860|1.220879|1.150929|1.162533|1.248339|1.340060|1.323983|1.912428|1.551814|2.913434|1.614769|1.501062|1.564312|12.932694|1.812838|2.733358|2.323857|4.391273|2.542880|4.311281|0.091457|0.089661|3.559694|4.950275|5.650759|8.919075|17.732394|8.921511|5.650551|1.434980|1.311712|1.343134|0.028981|0.030707|0.031973|0.029556|0.030660|0.030248|0.030727|0.034685|0.039603|0.037661|0.053300|0.067457|0.067180|0.090315|0.090370|0.124313|0.214932|0.500000| |1.172977|1.195116|2.302661|1.328718|1.256950|1.278933|1.381360|1.479454|1.447741|2.073302|1.686248|3.215311|1.720869|1.571012|1.608639|13.244875|1.922408|2.960263|2.504437|4.556049|2.857486|4.874326|0.108975|0.094396|4.104500|5.640796|4.950477|5.640788|8.909957|17.735053|8.926846|1.457101|1.344113|1.401411|0.030741|0.032392|0.034082|0.031611|0.033153|0.032903|0.033809|0.038568|0.043896|0.040453|0.058773|0.074118|0.078741|0.096933|0.112099|0.107446|0.124063|0.214961|0.500000| |1.331784|1.372514|2.686713|1.570428|1.476531|1.515486|1.667575|1.808262|1.746125|2.506586|2.082549|4.088694|2.094029|1.852240|1.869385|15.649765|2.372106|3.834689|3.326682|5.773010|4.181371|7.544095|0.173811|0.130025|7.016960|8.879914|5.631119|4.947517|5.650440|8.933028|17.688699|1.650268|1.526529|1.622465|0.034579|0.036755|0.038698|0.036197|0.038017|0.038178|0.039737|0.046757|0.054652|0.048103|0.077304|0.105941|0.118875|0.143818|0.215607|0.123691|0.107457|0.124308|0.215891|0.500000| |2.641964|2.397550|4.712594|2.389585|2.041962|1.872022|1.938604|2.230233|2.536251|4.213635|3.284647|5.024243|4.306752|5.926348|8.758499|41.746909|4.249319|4.481106|2.989496|5.586768|2.420463|3.012647|0.059907|0.065543|1.913368|1.770226|1.767456|1.628295|1.518669|1.519313|1.630605|17.576624|8.658585|5.653378|0.066045|0.081488|0.077417|0.062407|0.060476|0.053782|0.047158|0.049694|0.062523|0.094617|0.082098|0.065125|0.063187|0.053697|0.050348|0.051704|0.044518|0.039704|0.039730|0.044576|0.500000| |3.011722|2.652491|5.182746|2.557804|2.163859|1.953139|2.000345|2.300545|2.669912|4.463621|3.417010|5.141227|4.476810|6.302742|8.877976|40.527371|4.300900|4.501237|2.972125|5.507340|2.406403|3.006965|0.061142|0.064695|1.890697|1.759015|1.734204|1.607360|1.520268|1.535690|1.645316|17.536463|8.651082|6.204598|0.074683|0.091279|0.092157|0.067139|0.067429|0.057293|0.049059|0.050825|0.063601|0.102772|0.082883|0.063192|0.064099|0.052091|0.050159|0.049929|0.043611|0.039819|0.040461|0.045346|0.302579|0.500000| |3.370934|3.014679|5.964018|2.925122|2.449828|2.190720|2.234972|2.580132|3.034700|5.061791|3.647622|5.361695|4.465201|6.496738|6.578225|30.206869|3.841605|4.115311|2.630394|4.638648|2.213174|2.689179|0.053326|0.056907|1.741109|1.591382|1.566226|1.439989|1.355163|1.370420|1.477984|8.812413|17.583534|8.811743|0.082291|0.111363|0.094596|0.079709|0.072785|0.064621|0.054654|0.056274|0.070518|0.119666|0.079700|0.060613|0.059228|0.049061|0.046739|0.045561|0.039148|0.035449|0.036084|0.040912|0.225331|0.175531|0.500000| |4.015247|3.319611|6.320092|2.955053|2.474140|2.165562|2.161364|2.461277|2.944571|4.830987|3.374985|4.958737|4.039486|5.795050|5.852899|27.372726|3.480324|3.777218|2.436627|4.318941|2.064079|2.542435|0.051307|0.053548|1.642420|1.518037|1.487513|1.380622|1.313296|1.333227|1.428842|8.655575|17.597246|8.656145|0.097900|0.133935|0.117570|0.085074|0.080330|0.066480|0.054229|0.054076|0.066024|0.117926|0.073351|0.055501|0.056019|0.045639|0.044291|0.042778|0.037458|0.034511|0.035354|0.039718|0.189567|0.219652|0.302981|0.500000| |5.657022|4.827747|10.417830|4.468767|3.415325|2.870092|2.871178|3.418700|4.475172|8.096338|5.161053|6.908732|5.998082|8.834151|6.365902|30.069102|4.451492|4.693039|2.853522|4.829488|2.408156|2.872770|0.058366|0.059241|1.830535|1.661043|1.591943|1.461399|1.400018|1.445189|1.571228|6.206862|8.678784|17.523427|0.122103|0.181656|0.176998|0.114188|0.112842|0.088935|0.069369|0.069403|0.089287|0.232612|0.094099|0.063954|0.067065|0.050366|0.050075|0.045391|0.039110|0.036507|0.038402|0.044299|0.130082|0.160048|0.175986|0.220894|0.500000| |4.668233|4.401898|9.773103|4.549292|3.489835|2.992381|3.052243|3.690845|4.771012|8.708565|5.485424|7.304504|6.138062|8.718407|6.003188|29.055941|4.436763|4.723315|2.845332|4.757293|2.424566|2.850615|0.056760|0.058806|1.838479|1.650357|1.588488|1.448074|1.375192|1.413706|1.543599|5.660506|8.693890|17.565317|0.104847|0.158081|0.127981|0.113381|0.100479|0.089121|0.071904|0.073857|0.097397|0.238058|0.096287|0.066213|0.066793|0.051431|0.050271|0.045765|0.038868|0.035775|0.037374|0.043378|0.129778|0.130135|0.226542|0.190414|0.302426|0.500000| 1746.487007 -10408.386498 3958.043598 -209.552476 -4913.408369 3165.116966 -1748.291403 2.001033 409200000000001D 44B3B789EA751AB7 44351E9195608372 425C6A5C96800001 3399B604819B87C1 445A083638CA22B0