Version2.2 2021-02-07T04:17:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCc1ccc(cc1)n2c(nnc2SCc3nc(nc(n3)N)N)c4ccc(cc4)C C17540468 RHF 6-31G(d) (6D,7F) CCCCc1ccc(cc1)n2c(nnc2SCc3nc(nc(n3)N)N)c4ccc(cc4)C C01[X(C23H26N8S1)] 168 C1 536 CCCCc1ccc(cc1)n1c(SCc2nc(N)nc(n2)N)nnc1c1ccc(cc1)C CCCCc1ccc(cc1)n1c(SCc2nc(N)nc(n2)N)nnc1c1ccc(cc1)C CCCCc1ccc(cc1)n2c(SCc3nc(N)nc(N)n3)nnc2c4ccc(C)cc4 InChIKey=PNPLREMLQPIDSO-UHFFFAOYSA-N InChI=1S/C23H26N8S/c1-3-4-5-16-8-12-18(13-9-16)31-20(17-10-6-15(2)7-11-17)29-30-23(31)32-14-19-26-21(24)28-22(25)27-19/h6-13H,3-5,14H2,1-2H3,(H4,24,25,26,27,28) InChI=1/C23H26N8S/c1-3-4-5-16-8-12-18(13-9-16)31-20(17-10-6-15(2)7-11-17)29-30-23(31)32-14-19-26-21(24)28-22(25)27-19/h6-13H,3-5,14H2,1-2H3,(H4,24,25,26,27,28)/f/h24-25H2 CCCCc1ccc(cc1)n2c(nnc2SCc3nc(nc(n3)N)N)c4ccc(cc4)C C01[X(C23H26N8S1)] 168 C01 536 CCCCc1ccc(cc1)n1c(SCc2nc(N)nc(n2)N)nnc1c1ccc(cc1)C CCCC[C]1[CH][CH][C]([CH][CH]1)[N@@]1[C]([N][N][C]1[C]1[CH][CH][C]([CH][CH]1)C)SC[C]1[N][C]([NH2])[N][C]([N]1)[NH2] CCCC[C]1[CH][CH][C]([CH][CH]1)N2[C]([N][N][C]2[C]3[CH][CH][C](C)[CH][CH]3)SC[C]4[N][C](N)[N][C](N)[N]4 InChIKey=PNPLREMLQPIDSO-UHFFFAOYSA-N InChI=1S/C23H26N8S/c1-3-4-5-16-8-12-18(13-9-16)31-20(17-10-6-15(2)7-11-17)29-30-23(31)32-14-19-26-21(24)28-22(25)27-19/h6-13H,3-5,14H2,1-2H3,(H4,24,25,26,27,28) InChI=1/C23H26N8S/c1-3-4-5-16-8-12-18(13-9-16)31-20(17-10-6-15(2)7-11-17)29-30-23(31)32-14-19-26-21(24)28-22(25)27-19/h6-13H,3-5,14H2,1-2H3,(H4,24,25,26,27,28)/f/h24-25H2 3123.8710483585 -1719.269206 1-A 22355.2573 118 418 536 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.95091 -15.62834 -15.58381 -15.58197 -15.56047 -15.55905 -15.54519 -15.54411 -15.54049 -11.35933 -11.35760 -11.32984 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.11870 0.12627 0.12794 0.14514 0.14948 0.17446 0.20772 0.21421 0.22090 0.23868 0.23923 0.24087 0.24246 0.24919 0.25916 0.26069 0.26765 0.27199 0.28117 0.28508 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11.14569 -0.2312 5.7128 -0.0034 5.7174 |XX|YY|ZZ|XY|XZ|YZ| -145.5424 -193.5966 -191.6689 -2.2354 2.1327 4.0807

|XX|YY|ZZ|XY|XZ|YZ| 31.3935 -16.6606 -14.7329 -2.2354 2.1327 4.0807

|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 272.7691 106.6296 0.4611 62.8008 -88.3496 -9.0476 -5.2487 5.6561 -13.6126 -15.4537

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66.9447 23.6572 11.9530 0.0111 25.0735 19.7609 15.6820 18.6774 8.4799 3.8710 13.5433 1.6703 149.2431 83.5593 74.6775 89.1987 2.1386 1.5090 1.8064 0.4759 0.3627 3.5388 3.9281 5.4322 2.5406 1.7812 2.7859 0.1582 0.7550 0.9439 0.1710 1.4196 0.7412 0.6884 1.4004 0.9744 0.9844 0.9570 0.4782 0.8184 2.3520 0.1909 0.9026 3.1870 1.5061 0.4064 4.3760 1.1733 1.9442 2.0187 4.1404 1.0683 0.1516 1.7701 1.5066 4.0013 2.2368 0.8547 0.6563 1.1431 3.1777 2.7001 2.3481 4.2352 0.5037 7.0742 6.5493 4.4373 3.4282 12.0789 1.2562 0.0095 1.1264 4.6857 7.7288 0.3527 0.4295 13.1097 27.0579 24.0200 0.1177 0.2070 9.2973 3.3898 4.5155 13.5631 0.1713 1.7769 6.3559 12.4621 1.0156 3.7301 3.1799 7.3570 12.0335 0.3572 4.6180 0.6145 0.1249 15.3255 4.6643 0.6435 0.1077 5.0009 55.1578 0.8315 0.1589 2.6544 14.4880 11.1937 0.2794 2.3945 2.1571 7.4490 2.9256 11.0896 8.2355 9.4756 3.1605 3.1878 7.7255 1.7567 1.6381 3.7274 23.8261 7.5249 4.4737 14.2258 6.3051 43.8409 5.5966 13.4958 1.9780 83.1755 1.3808 3.9646 4.8038 0.9507 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14117.5187 26487.9328 39595.7619 0.99999 -0.00325 0.00049 0.00326 0.99999 -0.00102 -0.00049 0.00102 1.00000 1 0.00614 0.00327 0.00219 0.12784 0.06813 0.04558 15.20 21.48 27.05 29.66 31.75 48.68 60.16 74.98 78.19 92.85 103.20 111.76 141.76 162.77 181.56 192.49 214.43 221.11 256.31 261.57 290.38 299.90 310.53 312.72 355.67 373.68 390.45 455.00 475.13 500.47 516.84 535.97 540.67 613.76 631.10 657.88 667.01 670.63 709.44 775.99 794.39 813.77 846.82 881.99 887.88 910.03 937.19 954.50 957.96 995.21 1005.55 1022.13 1029.12 1088.16 1116.09 1132.61 1135.73 1184.41 1185.75 1204.60 1234.96 1246.56 1251.26 1279.14 1333.15 1342.19 1360.21 1366.54 1374.77 1424.22 1459.32 1466.00 1540.38 1550.17 1555.03 1565.06 1571.26 1575.50 1584.01 1584.44 1589.39 1594.68 1610.29 1629.13 1633.40 1662.17 1687.99 1690.84 1698.21 1721.83 1724.09 1730.60 1757.18 1800.98 1833.80 1872.29 1875.22 1876.18 1882.65 1890.81 1902.12 1914.27 1948.78 1954.79 2020.91 2023.10 2058.26 2060.61 2090.88 2099.22 2109.19 2126.57 2159.99 2221.70 2235.45 2253.87 2254.51 2265.38 2269.31 2285.06 2288.03 2309.98 2347.74 2350.98 2354.19 2358.32 2365.37 2370.53 2379.19 2384.25 2421.59 2426.55 2444.46 2505.81 2550.73 2559.98 2562.52 2567.77 2590.47 2619.97 2621.19 2630.45 4585.48 4594.92 4604.40 4609.09 4613.71 4615.18 4639.49 4674.71 4685.52 4694.36 4695.65 4721.77 4727.32 4800.40 4827.76 4834.92 4836.57 4837.44 4876.87 4880.69 4893.38 4896.97 5546.41 5549.44 5740.26 5742.57 0.504963 0.534515 0.535459 0.437002 -1718.764243 -1718.734691 -1718.733747 -1718.832204 3.302264D-04 MUNgauss RevisionA2.1 retrievium 07-Feb-2021 DUDE CCCCc1ccc(cc1)n2c(nnc2SCc3nc(nc(n3)N)N)c4ccc(cc4)C C17540468 RHF 6-31G(d) (6D,10F) C1 446.200115 |X|Y|Z| 118.607489 88.482753 21.408447

60.792775 25 6 7 16 18 6 1

|36.858105| |12.465447|36.858105| |7.477072|12.454894|36.858105| |4.859574|7.459545|12.405280|36.858105| |3.743763|4.878502|7.497955|12.587858|36.858105| |3.276830|4.030154|5.651042|7.539492|13.703796|36.858105| |2.713929|3.164113|4.153579|5.006304|7.883778|13.761491|36.858105| |2.524293|2.899490|3.747586|4.426644|6.827062|7.954039|13.758564|36.858105| |2.716787|3.166704|4.158681|5.006896|7.883128|6.892665|7.943868|13.758654|36.858105| |3.278187|4.031656|5.654312|7.538386|13.696356|7.983873|6.894463|7.957605|13.772489|36.858105| |2.145497|2.391406|2.947732|3.324036|4.516440|5.146324|7.822137|13.344426|7.821263|5.147620|53.358707| |1.894118|2.103624|2.510820|2.844166|3.660345|3.996465|5.384624|7.511664|5.858271|4.181282|18.835579|36.858105| |1.728223|1.883590|2.211479|2.430589|3.010157|3.273313|4.223419|5.345736|4.417012|3.361834|11.919369|14.855635|53.358707| |1.789398|1.925965|2.277598|2.440815|3.021793|3.337237|4.350512|5.364217|4.316369|3.321618|11.902263|8.873163|19.015443|53.358707| |2.029385|2.201970|2.674261|2.873788|3.700157|4.197189|5.854253|7.633197|5.523855|4.069634|18.982644|8.840460|12.151217|20.237201|36.858105| |2.211253|2.344018|2.872670|2.929016|3.674679|4.202449|5.434653|5.989916|4.731485|3.848541|9.444570|4.935187|6.721195|9.503705|10.826548|388.023441| |1.863742|1.934369|2.275261|2.291530|2.723530|3.009874|3.639750|3.948430|3.376385|2.854392|6.452827|4.015630|6.133095|9.046797|7.094685|74.515193|36.858105| |1.851784|1.881031|2.181061|2.136000|2.460186|2.688212|3.089334|3.208539|2.850169|2.524760|4.849550|3.074071|4.523553|5.931975|4.669770|49.099860|12.656404|36.858105| |1.651821|1.668104|1.897803|1.861768|2.106668|2.274164|2.571617|2.672586|2.418697|2.165317|4.052580|2.688423|4.032351|5.102411|3.760891|34.077309|7.999269|14.456015|53.358707| |1.615266|1.608516|1.806617|1.747062|1.938714|2.075955|2.287152|2.335926|2.150522|1.971205|3.431524|2.285889|3.352522|4.065448|3.043324|27.213338|5.305118|8.561959|19.468086|36.858105| |1.731555|1.702992|1.908384|1.813933|1.991527|2.128362|2.301800|2.311250|2.143497|2.000246|3.297436|2.162774|3.094722|3.695090|2.857985|26.327270|4.589151|7.198163|10.969523|14.363151|53.358707| |1.959617|1.929039|2.196986|2.069275|2.292149|2.469033|2.672647|2.658474|2.446982|2.286379|3.733185|2.378318|3.347110|4.042179|3.252612|32.248386|5.253923|8.555369|9.797156|8.566569|19.626506|36.858105| |2.055141|2.062860|2.405328|2.299808|2.623788|2.869116|3.209323|3.231818|2.901583|2.641112|4.618116|2.854373|4.026430|5.060719|4.212884|47.210523|7.843153|14.516867|11.056397|7.207171|10.978814|14.250776|53.358707| |2.128550|2.055499|2.322481|2.134744|2.316289|2.477453|2.598544|2.530928|2.364081|2.270263|3.434719|2.181732|3.003698|3.527931|2.878890|27.801175|4.047165|5.528952|6.507024|5.515420|11.385075|14.233671|11.380439|53.358707| |1.455287|1.446587|1.604130|1.557285|1.710632|1.817793|1.986666|2.032733|1.890133|1.742213|2.988762|2.039418|3.008310|3.555186|2.594721|21.851572|4.088883|5.525343|11.384138|14.233783|11.389844|5.522432|6.512449|5.695608|53.358707| |1.834748|2.064096|2.424846|2.823587|3.555133|3.742649|4.665910|6.019168|5.360396|4.077513|10.174777|12.893248|10.642314|7.251480|5.291387|25.837534|3.062772|2.485167|3.028175|1.941879|2.525978|2.020256|3.203938|2.570259|2.397486|36.858105| |1.663877|1.850642|2.127914|2.430387|2.929036|2.981113|3.507145|4.328432|4.196499|3.372521|7.008461|7.727069|8.831356|6.127148|4.184976|21.658047|2.717534|2.244041|2.796992|1.804911|2.332751|1.837657|2.869162|2.334912|2.260576|13.666619|36.858105| |1.584805|1.768667|1.997923|2.296121|2.683259|2.685351|3.022781|3.541214|3.548834|3.035911|5.290749|5.089975|6.049054|4.632186|3.245717|17.948113|2.274394|1.933805|2.435349|1.596896|2.078890|1.628944|2.502256|2.092703|2.018046|7.909603|13.809258|36.858105| |1.638029|1.852165|2.081380|2.445211|2.829991|2.829392|3.108960|3.503713|3.513230|3.127123|4.938158|4.446310|5.104075|4.092919|2.977126|16.950986|2.110223|1.819312|2.281553|1.509851|1.985231|1.562611|2.388186|2.028930|1.905201|6.783724|7.889412|13.675924|36.858105| |1.799474|2.065215|2.355912|2.846127|3.382974|3.456790|3.837806|4.247203|4.122596|3.666434|5.762259|5.036148|5.413864|4.393611|3.314382|18.767370|2.262914|1.942579|2.403954|1.588378|2.101390|1.671157|2.572797|2.178443|1.986302|7.911478|6.906796|7.994744|13.740397|36.858105| |1.919484|2.201349|2.580894|3.119528|3.929169|4.180419|5.033230|5.885998|5.266282|4.318777|8.258825|7.563359|7.148996|5.611402|4.343251|23.179599|2.700711|2.259765|2.751641|1.793802|2.366334|1.900495|2.979809|2.457926|2.217411|13.731270|7.965287|6.903114|7.885724|13.739840|36.858105| |1.522746|1.715047|1.884961|2.194113|2.443803|2.412671|2.560816|2.790643|2.842724|2.646449|3.846876|3.287515|3.953509|3.310075|2.409309|14.282905|1.807834|1.590117|2.014298|1.348502|1.780040|1.392111|2.099153|1.820090|1.715531|4.411154|5.017200|7.554051|12.611943|7.537237|5.004493|36.858105| |17.550476|8.774630|5.456651|4.036876|3.171561|2.823062|2.380985|2.226658|2.383026|2.824046|2.616841|1.721993|2.150716|2.214322|1.822679|13.972629|1.685615|1.678977|2.060507|1.487076|2.164228|1.778576|2.515913|2.623208|1.839138|1.682139|1.539265|1.478647|1.532548|1.672563|1.763202|1.439524|0.500000| |17.537671|8.774732|6.774936|4.491991|3.628748|3.320825|2.764854|2.527656|2.652966|3.129153|2.940613|1.892824|2.364173|2.472702|2.068201|16.346906|1.936865|1.946196|2.354216|1.701193|2.507210|2.100695|2.979208|3.154680|2.076620|1.812582|1.635553|1.548192|1.594917|1.757060|1.889768|1.476343|0.301686|0.500000| |17.538283|8.774580|6.775606|4.491823|3.628929|3.128145|2.650276|2.528004|2.768643|3.322661|2.941006|1.906677|2.377229|2.470366|2.056704|16.012128|1.904737|1.897912|2.304243|1.657097|2.420501|2.013409|2.870525|2.976809|2.030482|1.837945|1.676824|1.591278|1.630040|1.776155|1.899051|1.512108|0.301683|0.301700|0.500000| |8.860394|17.509400|8.856147|6.865631|4.551483|3.966307|3.090607|2.763462|2.935207|3.652099|3.124172|2.033553|2.479734|2.524623|2.109754|15.860071|1.851898|1.800254|2.182015|1.547412|2.226213|1.844424|2.676972|2.671977|1.900491|2.008285|1.796243|1.726880|1.825458|2.048282|2.169249|1.699630|0.212798|0.210700|0.172947|0.500000| |8.860558|17.509735|8.856426|6.864526|4.551500|3.651370|2.933903|2.763760|3.092770|3.967739|3.124489|2.050546|2.494601|2.522047|2.097543|15.555159|1.823877|1.762032|2.142249|1.514185|2.165198|1.784844|2.597735|2.561956|1.865125|2.042613|1.850860|1.786777|1.878215|2.078432|2.183149|1.754404|0.212817|0.172951|0.210678|0.303962|0.500000| |6.865316|8.845660|17.515877|8.845474|6.896251|5.077135|3.996665|3.816907|4.431421|6.051584|4.112435|2.563653|3.087088|3.198653|2.764892|21.286897|2.368476|2.271912|2.682995|1.874072|2.695003|2.285352|3.415573|3.280696|2.259068|2.452928|2.170713|2.023711|2.078097|2.321044|2.553735|1.874638|0.140320|0.168964|0.203625|0.173594|0.211468|0.500000| |6.865947|8.845283|17.515473|8.846208|6.895683|6.045205|4.422483|3.816128|4.001830|5.079567|4.111748|2.530681|3.059074|3.203974|2.793104|22.090036|2.430929|2.355779|2.762499|1.938287|2.815633|2.414761|3.602189|3.522073|2.322856|2.394110|2.084031|1.937881|2.007260|2.279198|2.531481|1.808207|0.140320|0.203625|0.169018|0.211425|0.173593|0.304124|0.500000| |4.536207|6.865810|8.845875|17.534639|8.918755|7.144733|4.729654|3.983123|4.216535|5.674259|4.191545|2.677595|3.133323|3.131653|2.677613|19.316508|2.158267|2.020362|2.413341|1.669951|2.359606|1.966457|2.952922|2.766433|2.035339|2.685044|2.310534|2.206315|2.383949|2.801201|3.029195|2.161354|0.108646|0.119664|0.111279|0.207371|0.171258|0.173699|0.211677|0.500000| |4.535961|6.866471|8.845225|17.535279|8.919060|5.676733|4.218420|3.983628|4.728326|7.141708|4.191937|2.716609|3.163281|3.126456|2.652486|18.770375|2.113996|1.966512|2.359580|1.628212|2.287024|1.894453|2.847150|2.644470|1.991856|2.768785|2.430419|2.335641|2.505411|2.880113|3.067543|2.277738|0.108648|0.111278|0.119636|0.171334|0.207353|0.211605|0.173700|0.303941|0.500000| |3.363895|4.137919|5.539133|6.990054|8.909076|17.706434|8.955329|5.661019|4.961406|5.660827|5.685632|3.393943|3.915930|4.014587|3.597391|26.414985|2.770201|2.536444|2.948334|2.003037|2.819348|2.396958|3.722377|3.321459|2.396944|3.213555|2.622445|2.404539|2.554497|3.091723|3.610880|2.226275|0.081014|0.096796|0.086580|0.118657|0.101269|0.129968|0.174785|0.213903|0.143825|0.500000| |2.469540|2.813432|3.539181|4.082140|5.619099|8.897767|17.728401|8.935786|5.653509|4.964021|9.793574|5.206234|5.821073|6.124033|5.939007|39.662651|3.821574|3.228595|3.657581|2.377706|3.240290|2.757054|4.522986|3.614650|2.806382|4.402121|3.335709|2.875767|2.948250|3.614564|4.704444|2.444516|0.060929|0.070881|0.066574|0.077705|0.072165|0.093735|0.106954|0.112053|0.097097|0.215548|0.500000| |2.473716|2.816948|3.545338|4.082830|5.618953|4.963378|5.653957|8.936959|17.732249|8.902060|9.792763|6.039649|6.335600|6.034697|5.367718|31.403752|3.331201|2.791264|3.268861|2.126105|2.853035|2.361238|3.790573|3.071601|2.562294|5.599412|4.640711|3.843270|3.643718|4.064184|5.052811|2.930296|0.061015|0.066687|0.071036|0.072217|0.077786|0.107260|0.093914|0.097047|0.112000|0.107687|0.124424|0.500000| |3.367265|4.141969|5.546650|6.991329|8.908292|5.661559|4.962377|5.662632|8.959458|17.706872|5.686547|3.599718|4.063798|3.988026|3.455616|23.453252|2.561718|2.303418|2.729198|1.842840|2.548762|2.118945|3.274550|2.879440|2.236523|3.608887|3.138708|2.897576|2.977134|3.370249|3.772230|2.582046|0.081084|0.086654|0.096912|0.101335|0.118769|0.175177|0.130114|0.143779|0.213780|0.124203|0.107699|0.215630|0.500000| |1.741615|1.816954|2.116629|2.160129|2.555464|2.867171|3.498136|3.716594|3.115983|2.644845|6.238188|4.059456|6.435988|9.541714|6.729270|56.259714|17.640391|8.979163|9.796028|4.886191|5.624431|4.501487|8.269523|4.846529|5.383224|3.096850|2.747384|2.298862|2.132725|2.287467|2.730789|1.825565|0.044051|0.050258|0.049019|0.048817|0.047685|0.060366|0.062715|0.057290|0.055477|0.074254|0.105559|0.084948|0.065836|0.500000| |1.786932|1.853646|2.167378|2.189256|2.590746|2.784252|3.325305|3.756458|3.334954|2.787972|6.251339|4.069014|6.440299|9.513888|6.727370|56.268064|17.638255|8.979912|9.777303|4.884709|5.626181|4.504803|8.282570|4.846345|5.385680|3.107536|2.829227|2.348734|2.140335|2.256449|2.674097|1.832243|0.045054|0.051087|0.051111|0.049028|0.049047|0.063338|0.063302|0.056877|0.056899|0.070483|0.094225|0.094762|0.070618|0.304849|0.500000| |2.020710|1.929161|2.140085|1.960217|2.093680|2.216249|2.297420|2.240339|2.117124|2.051764|3.037120|1.961098|2.703777|3.126526|2.508799|23.138356|3.407845|4.491387|5.681076|5.046322|10.521931|9.428202|8.150096|26.117382|5.560714|1.720104|1.577131|1.424994|1.383721|1.477701|1.650761|1.250610|0.051324|0.061125|0.057727|0.051307|0.049260|0.061579|0.065730|0.052080|0.049936|0.061019|0.065049|0.056479|0.053673|0.085232|0.085587|0.500000| |2.392043|2.300433|2.631765|2.379320|2.580081|2.760945|2.857062|2.748655|2.574612|2.501673|3.642290|2.274892|3.080541|3.600607|3.010104|29.637747|3.983660|5.083752|5.706321|4.494965|8.167881|9.441966|10.588631|26.113441|4.782106|1.970861|1.775010|1.590867|1.550593|1.676586|1.898280|1.387918|0.059435|0.073140|0.068319|0.060701|0.057876|0.076030|0.082809|0.062594|0.059501|0.075655|0.080332|0.067420|0.064431|0.096485|0.097016|0.307431|0.500000| |1.384595|1.385049|1.534925|1.503946|1.657474|1.761447|1.938021|1.997596|1.853743|1.696810|2.977305|2.062158|3.085278|3.637812|2.592210|21.129084|4.033568|5.072526|10.573998|9.437712|8.163051|4.494617|5.704431|4.779166|26.114879|1.780970|1.691100|1.507478|1.415281|1.467774|1.636404|1.273979|0.035787|0.040119|0.039370|0.037200|0.036604|0.044054|0.045107|0.040167|0.039416|0.047264|0.055990|0.051588|0.044473|0.111849|0.111184|0.094313|0.084695|0.500000| |1.416787|1.398567|1.538016|1.484327|1.613720|1.708267|1.844426|1.871996|1.752867|1.634067|2.715361|1.855620|2.707105|3.145621|2.313923|19.357935|3.433131|4.490880|8.152400|9.422800|10.539372|5.057766|5.687806|5.564773|26.120878|1.622274|1.532964|1.379894|1.309834|1.365001|1.513405|1.186837|0.036685|0.041357|0.040323|0.037557|0.036782|0.044117|0.045476|0.039705|0.038788|0.046273|0.053056|0.048365|0.043005|0.092379|0.092023|0.116063|0.094408|0.307333|0.500000| |1.594612|1.751420|2.007012|2.243493|2.678349|2.720163|3.196518|3.954219|3.850468|3.090481|6.640541|7.211740|9.706151|6.604901|4.256551|21.924010|2.846967|2.331229|2.932396|1.878414|2.402599|1.878708|2.935324|2.364086|2.361948|8.929703|17.746546|8.929395|5.625133|4.971864|5.665512|4.092839|0.041005|0.043655|0.044919|0.046994|0.048568|0.057400|0.054851|0.058939|0.062137|0.066850|0.085179|0.121312|0.080753|0.079898|0.084365|0.044388|0.049584|0.049392|0.044283|0.500000| |1.475951|1.632170|1.822377|2.062613|2.362258|2.345313|2.599189|3.003497|3.048323|2.660449|4.472963|4.150933|5.244395|4.139439|2.858690|16.206118|2.102774|1.807234|2.302268|1.516932|1.969635|1.530891|2.331558|1.966088|1.932681|5.639371|8.966984|17.697309|8.900847|5.666597|4.966108|7.011946|0.038453|0.040005|0.041307|0.044210|0.045970|0.051493|0.049054|0.055055|0.058575|0.058971|0.069076|0.092531|0.071826|0.059004|0.060858|0.037380|0.041321|0.040236|0.036783|0.216170|0.500000| |1.827366|2.116856|2.387605|2.926770|3.387441|3.461065|3.683904|3.853268|3.756629|3.527748|5.005705|4.102007|4.544350|3.847125|2.945361|17.327912|2.087618|1.820835|2.256303|1.504486|2.004840|1.595510|2.436930|2.098547|1.884232|5.644849|4.968824|5.664358|8.921669|17.706815|8.951340|6.975524|0.047404|0.049460|0.049649|0.059018|0.059336|0.064338|0.063930|0.081835|0.082700|0.087984|0.096842|0.099887|0.090546|0.058592|0.057280|0.039671|0.044983|0.038545|0.036148|0.107833|0.124250|0.500000| |2.066035|2.395683|2.850955|3.520109|4.578966|5.184516|6.465039|6.928527|5.675769|4.761636|8.832995|6.913638|6.612165|5.556211|4.535812|24.872163|2.801268|2.354710|2.833076|1.851400|2.462667|1.997884|3.146510|2.600273|2.271314|8.895192|5.649232|4.970595|5.640564|8.961068|17.750603|4.094455|0.052399|0.056840|0.056254|0.066109|0.065196|0.077012|0.078525|0.096376|0.093616|0.123186|0.168040|0.138917|0.110505|0.078652|0.075323|0.048290|0.056199|0.046284|0.043121|0.124236|0.107797|0.217734|0.500000| |1.406351|1.567912|1.713604|1.963995|2.175190|2.171302|2.319157|2.512039|2.521212|2.336389|3.535847|3.044122|3.782889|3.168679|2.265813|13.470966|1.736166|1.530623|1.955117|1.309712|1.721131|1.337187|2.008496|1.742513|1.675929|3.953451|4.629607|6.823177|8.843129|5.803211|4.262670|17.551784|0.037045|0.038036|0.038823|0.043224|0.044379|0.047389|0.045989|0.053896|0.056191|0.056160|0.062422|0.072353|0.063221|0.049042|0.049006|0.033345|0.036721|0.034711|0.032217|0.109309|0.196759|0.149183|0.098824|0.500000| |1.544745|1.750838|1.911054|2.244413|2.467088|2.443754|2.550320|2.705547|2.739215|2.611368|3.648000|3.030512|3.626913|3.096312|2.285047|13.766024|1.731924|1.534909|1.941278|1.306066|1.733068|1.358024|2.040831|1.785827|1.660481|3.947995|4.170339|5.572103|8.835898|7.222382|4.737713|17.579609|0.040694|0.041575|0.042312|0.048617|0.049797|0.052227|0.050868|0.062283|0.064833|0.063387|0.067851|0.076632|0.070574|0.048623|0.048313|0.034127|0.037917|0.034153|0.032006|0.095976|0.140654|0.221119|0.113175|0.301661|0.500000| 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