Version2.1 2021-01-06T13:41:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 15-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN5CCN(c4cc(Nc1cc(C)n[nH]1)nc(Sc3ccc(NC(=O)C2CC2)cc3)n4)CC5 436277 CHEMBL572878 RHF 6-31G(d) (6D,7F) CN5CCN(c4cc(Nc1cc(C)n[nH]1)nc(Sc3ccc(NC(=O)C2CC2)cc3)n4)CC5 C01[X(C23H28N8O1S1)] 177 C1 555 CN1CCN(CC1)c1nc(Sc2ccc(cc2)NC(=O)C2CC2)nc(c1)Nc1[nH]nc(c1)C CN1CCN(CC1)c1nc(Sc2ccc(cc2)NC(=O)C2CC2)nc(c1)Nc1[nH]nc(c1)C CN1CCN(CC1)c2cc(Nc3[nH]nc(C)c3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2 InChIKey=GCIKSSRWRFVXBI-UHFFFAOYSA-N InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) InChI=1/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)/f/h24-25,29H CN5CCN(c4cc(Nc1cc(C)n[nH]1)nc(Sc3ccc(NC(=O)C2CC2)cc3)n4)CC5 C01[X(C23H28N8O1S1)] 177 C01 555 CN1CCN(CC1)c1nc(Sc2ccc(cc2)NC(=O)C2CC2)nc(c1)Nc1[nH]nc(c1)C CN1CCN(CC1)[C]1[N][C]([N][C]([CH]1)N[C]1[CH][C]([N][NH]1)C)S[C]1[CH][CH][C]([CH][CH]1)NC(=O)C1CC1 C[C]1[CH][C](N[N]1)N[C]2[CH][C]([N][C]([N]2)S[C]3[CH][CH][C]([CH][CH]3)NC(=O)C4CC4)N5CCN(C)CC5 InChIKey=GCIKSSRWRFVXBI-UHFFFAOYSA-N InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) InChI=1/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)/f/h24-25,29H 3301.5190004991 -1795.2189298 1-A 26523.8082 123 432 555 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6.2434 3.5886 2.8869 3.4428 4.6442 3.3107 3.4225 9.4615 3.8986 3.7707 3.8071 1.6898 3.6838 1.0919 2.3060 5.1919 1.6247 2.5461 5.6317 1.4100 1.6925 2.6160 1.4407 3.8666 3.0414 2.3052 4.3213 4.2523 2.4810 1.7157 3.6780 2.4169 1.9391 3.5638 1.3486 3.1483 3.1239 1.5111 1.5878 1.9506 1.8258 1.2742 2.2593 1.6555 3.0644 1.4917 1.2313 1.2213 2.8389 1.7380 1.9570 2.5994 3.2119 2.2474 3.5278 1.2042 4.5275 1.3514 1.9079 1.1507 1.6281 2.4071 2.4863 3.3601 1.9598 1.4258 1.9980 1.5108 1.8510 1.3270 2.1519 1.4335 2.0542 1.4333 1.4867 1.8259 2.5017 1.6574 2.7458 1.0919 1.2353 1.0445 1.3827 1.3840 1.2770 1.0936 1.1289 1.0517 1.4305 1.5542 1.2050 2.4742 2.2310 4.7128 2.5001 5.8078 5.7467 3.3746 5.0977 4.9763 8.1855 1.0737 1.0686 1.0642 1.0735 1.0742 1.0387 1.0791 1.0897 1.0874 1.1025 1.1047 1.1014 1.0525 1.0919 1.0662 1.0862 1.0907 1.0915 1.0927 1.0947 1.1196 1.1166 1.0996 1.0918 1.0935 1.0771 1.0779 1.0829 0.0003 0.0005 0.0007 0.0010 0.0018 0.0032 0.0038 0.0033 0.0052 0.0077 0.0161 0.0267 0.0152 0.0109 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116.1841 3.0622 174.8788 15.5993 326.4263 29.8378 27.2130 74.1184 76.7003 159.3151 56.0861 11.4746 122.0403 1.1659 2.7459 5.2284 100.6941 184.3485 156.4685 9.4604 13.3238 3.1694 7.6741 38.3367 16.9587 175.1783 23.3399 165.7782 585.4691 1020.7085 822.9635 197.1397 58.5701 245.2574 187.1316 23.5745 23.6071 152.4143 9.1347 92.4720 36.3797 12.9895 54.3201 102.4336 29.1904 48.2443 15.8509 18.6316 22.7396 21.5168 13.5096 27.5720 4.5655 7.5320 6.1878 0.4156 11.2292 1.1406 2.1310 2.5683 78.1807 30.5691 108.3204 1.1670 0.9108 4.7598 3.2012 1.6038 0.9228 2.8580 0.2670 1.8357 1.1692 0.3822 1.3769 0.1783 0.0614 0.9069 2.5020 1.2855 1.6982 1.7971 0.3582 0.7933 0.2485 0.3030 1.3768 1.0315 1.1395 1.1579 1.1920 1.6150 0.4533 0.4369 0.8935 3.1772 2.2369 0.6810 1.2327 0.0589 1.7862 0.8679 0.8922 1.0812 0.7740 1.3014 1.2177 0.7312 2.7672 0.6088 1.8092 6.9067 3.4257 2.6033 0.4450 1.1759 0.1008 15.0714 1.0346 4.2571 3.7420 0.4674 0.3523 14.8593 1.1553 2.8226 7.8352 11.5053 7.4000 0.8734 2.8743 0.9326 2.2164 1.1494 25.3924 16.4058 0.5192 3.7547 14.1714 2.4977 9.3425 32.0030 1.8291 8.2479 5.0899 0.9924 21.2476 13.2032 1.8411 2.6611 3.5844 5.2341 9.4249 5.5133 1.3981 58.4862 6.1260 2.0986 1.2859 2.0804 5.5064 4.1381 13.6317 11.0982 1.4911 3.8317 39.9692 8.1400 6.2976 22.7558 10.0289 1.9330 0.7258 44.6033 12.3700 2.6361 2.6344 8.0586 13.5536 8.8916 5.0345 13.8840 0.5373 3.0065 9.6043 3.4143 21.9968 28.2875 3.5032 7.8888 9.3947 8.6163 19.7981 31.5393 28.2132 30.6294 11.5273 0.7989 24.8115 24.1598 3.3865 12.7560 6.5330 1.5544 27.4771 44.0553 34.0949 29.6089 23.2819 277.5049 33.6452 61.5821 8.6590 21.8612 181.2146 11.6806 112.9472 141.3764 16.5975 77.8866 223.3208 82.7091 100.6671 78.8500 44.4649 38.6040 99.0535 133.3599 88.4454 47.7619 41.8244 90.7600 73.1671 44.5097 48.8748 58.5436 61.9104 63.1690 66.1615 52.9758 0.7466 0.7147 0.7281 0.7364 0.7491 0.6834 0.7498 0.7178 0.7379 0.6457 0.7332 0.2584 0.7475 0.4084 0.7181 0.7101 0.3989 0.3172 0.6832 0.7394 0.4742 0.4038 0.2468 0.5037 0.4254 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0.8308 0.8570 0.5296 0.7127 0.8519 0.5447 0.7522 0.3035 0.5841 0.8422 0.8135 0.5839 0.5910 0.7632 0.4270 0.7171 0.6256 0.2436 0.8344 0.4182 0.0482 0.6315 0.8246 0.2612 0.8520 0.8551 0.8100 0.8571 0.5767 0.2448 0.1207 0.5209 0.4731 0.6290 0.3304 0.8570 0.8247 0.4629 0.3279 0.3764 0.2442 0.2708 0.4305 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 61 6 7 6 6 7 6 6 6 7 6 6 6 6 7 7 1 7 6 16 6 6 6 6 7 6 8 6 6 6 6 6 7 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 1 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 1.00783 14.00307 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 11083.7615 37327.9100 46656.6819 0.99997 0.00813 -0.00042 -0.00812 0.99994 0.00716 0.00048 -0.00716 0.99997 1 0.00781 0.00232 0.00186 0.16283 0.04835 0.03868 14.19 17.86 25.94 28.86 39.49 51.45 55.31 56.88 65.53 70.23 114.70 140.38 155.39 158.31 203.76 215.28 253.82 259.66 296.74 298.96 333.56 352.67 367.80 386.91 399.65 426.00 452.59 461.34 478.84 481.21 486.12 564.30 570.82 585.95 589.87 643.52 661.48 675.76 702.07 711.18 746.23 774.06 794.79 815.57 823.11 837.45 882.69 960.38 995.40 1005.56 1020.73 1042.22 1044.78 1086.44 1091.43 1128.05 1144.02 1156.67 1189.13 1205.47 1236.64 1243.89 1266.46 1288.71 1300.05 1304.62 1306.38 1331.91 1347.31 1360.32 1387.29 1408.42 1484.61 1485.00 1507.16 1516.70 1526.20 1554.54 1556.20 1588.69 1590.32 1597.07 1603.75 1619.92 1670.88 1687.55 1697.40 1711.68 1718.96 1720.86 1736.10 1745.45 1753.40 1761.99 1767.08 1785.29 1829.30 1839.70 1845.77 1851.71 1859.15 1868.13 1877.40 1888.04 1899.65 1906.94 1911.08 1938.44 1976.10 1997.69 2007.71 2025.57 2076.17 2089.87 2091.96 2109.35 2129.07 2179.05 2205.20 2225.46 2226.15 2234.29 2252.49 2261.98 2276.46 2281.25 2300.10 2306.03 2322.40 2342.49 2350.86 2353.37 2357.26 2361.33 2368.09 2382.87 2383.91 2388.67 2396.15 2404.36 2412.26 2434.40 2458.91 2511.19 2553.31 2574.22 2594.61 2613.15 2812.19 4483.85 4492.66 4513.21 4584.69 4591.80 4617.10 4664.82 4671.17 4680.15 4690.13 4724.91 4753.71 4781.46 4784.59 4787.35 4804.93 4813.77 4852.57 4876.19 4880.80 4908.96 4928.18 4956.67 4987.19 4988.06 5541.29 5590.25 5636.70 0.539146 0.568455 0.569399 0.471461 -1794.679784 -1794.650475 -1794.649531 -1794.747468 3.284823D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE CN5CCN(c4cc(Nc1cc(C)n[nH]1)nc(Sc3ccc(NC(=O)C2CC2)cc3)n4)CC5 436277 CHEMBL572878 RHF 6-31G(d) (6D,10F) C1 464.210680 |X|Y|Z| 75.504909 141.944394 25.972556 65.293413 30 6 7 16 21 8 1 |36.858105| |13.181946|53.358707| |7.919829|17.895335|36.858105| |5.086249|10.611590|12.541601|36.858105| |4.507998|9.112527|7.774244|13.046794|53.358707| |3.415702|6.164147|5.180928|7.797833|19.047747|36.858105| |2.945264|5.062117|3.913232|5.094443|10.671624|13.587064|36.858105| |2.447486|4.030828|3.161221|3.974386|7.119813|8.057723|13.772773|36.858105| |2.152499|3.445416|2.622868|3.134392|5.359724|5.215478|7.877359|13.899031|53.358707| |2.131098|3.370586|2.481221|2.865445|4.916955|4.404574|6.495400|7.758023|18.572774|36.858105| |2.047878|3.169886|2.309759|2.574654|4.346122|3.698915|5.001723|5.469710|10.277193|13.980823|36.858105| |1.990317|3.046235|2.163741|2.370257|3.935632|3.196853|4.136095|4.208616|7.237722|8.670465|13.435877|36.858105| |1.855537|2.772976|1.950136|2.078796|3.363538|2.639922|3.216865|3.209047|5.159715|5.198449|7.268080|12.714180|36.858105| |2.026546|3.133794|2.207801|2.451388|4.067041|3.297238|4.301372|4.299487|7.330913|8.565479|8.494178|14.609128|7.799996|53.358707| |2.114783|3.339622|2.399191|2.753307|4.655268|3.971468|5.551470|5.836289|10.870815|14.194513|8.787863|9.075974|5.385124|19.474530|53.358707| |2.113948|3.359883|2.413643|2.807941|4.681554|3.984464|5.405254|5.617747|9.628529|9.087431|6.076708|6.268938|4.316143|12.809612|26.095238|0.500000| |2.298633|3.739354|3.041174|3.851889|6.334426|6.965959|7.975399|14.301377|11.443169|5.305749|4.168877|3.327480|2.673770|4.575172|5.820910|0.117868|53.358707| |2.522221|4.166694|3.555724|4.735953|7.434675|8.426572|7.205830|8.551378|7.514070|4.076482|3.391848|2.831461|2.352301|3.908411|4.766019|0.098012|19.814449|36.858105| |2.220999|3.537990|3.061452|3.841024|5.336303|4.956611|4.311178|4.894995|5.247274|3.041344|2.651798|2.275976|1.956257|3.122886|3.665843|0.075772|9.679978|10.716289|388.023441| |1.868275|2.909330|2.414136|2.889850|4.137023|3.761663|3.656048|4.489406|5.327045|3.046584|2.667882|2.269878|1.952377|3.091753|3.627552|0.074575|8.885371|6.793196|76.151123|36.858105| |1.754845|2.691075|2.214463|2.566655|3.703808|3.287846|3.266913|3.978673|4.951008|2.910216|2.640155|2.225614|1.940164|2.962633|3.408093|0.068566|7.300754|5.252246|49.157302|13.726678|36.858105| |1.565061|2.371883|1.916174|2.181380|3.147785|2.730502|2.787232|3.372725|4.464155|2.700014|2.485973|2.118672|1.866664|2.813094|3.195768|0.064232|5.760111|3.946227|33.507709|7.929562|13.805573|36.858105| |1.481245|2.244324|1.795309|2.049772|2.945739|2.539552|2.618394|3.165072|4.291115|2.612113|2.371468|2.055963|1.808511|2.774744|3.162167|0.064541|5.288181|3.571811|29.627289|6.816965|7.905201|13.675119|36.858105| |1.340238|2.009381|1.589194|1.785019|2.560022|2.162785|2.247600|2.658909|3.706806|2.340804|2.169456|1.909911|1.706406|2.567569|2.871812|0.058420|4.218986|2.849420|22.670932|4.537889|5.199656|7.989215|13.552681|53.358707| |1.254891|1.874606|1.469928|1.644248|2.348832|1.962183|2.045942|2.386567|3.367188|2.168458|2.008965|1.801918|1.619587|2.447137|2.718104|0.055800|3.686735|2.496893|19.449081|3.658177|3.889494|5.150447|7.613244|19.012863|36.858105| |1.263226|1.892914|1.481011|1.666211|2.372948|1.981589|2.065277|2.402532|3.383954|2.175887|1.987719|1.798754|1.608455|2.477327|2.768027|0.057583|3.699541|2.511242|19.470041|3.603125|3.600375|4.438663|6.505412|11.438521|15.870021|73.516695| |1.153142|1.707461|1.330439|1.468590|2.094490|1.725712|1.800463|2.064796|2.934415|1.938992|1.833176|1.662152|1.518147|2.240928|2.445269|0.049860|3.112394|2.121390|16.262641|2.906108|3.144973|4.017670|5.052552|10.804921|12.747456|14.361045|36.858105| |1.074059|1.582432|1.228916|1.348918|1.906982|1.552948|1.608436|1.813768|2.560288|1.713203|1.622013|1.492671|1.374110|2.026760|2.194853|0.045049|2.703991|1.870393|14.348923|2.475509|2.602985|3.150900|3.826196|7.020961|7.433178|11.621932|12.639538|36.858105| |1.091695|1.612106|1.244881|1.368803|1.956286|1.600677|1.682633|1.914020|2.757105|1.855154|1.760372|1.619634|1.488966|2.195044|2.374219|0.048568|2.822937|1.915095|14.328792|2.475232|2.605757|3.156143|3.825773|7.019426|7.432333|11.623551|12.639456|12.849484|36.858105| |1.546832|2.365137|1.895933|2.202479|3.148321|2.738198|2.804659|3.402791|4.526901|2.707975|2.390082|2.089630|1.817467|2.878747|3.333775|0.069457|5.803825|3.957414|33.379587|7.873611|6.859429|7.931181|13.694200|10.505457|6.253830|11.680542|4.220678|3.461408|3.452897|36.858105| |1.730583|2.683446|2.185707|2.604265|3.709404|3.306838|3.299940|4.036183|5.044037|2.922814|2.528532|2.193330|1.886122|3.040687|3.578460|0.075046|7.417018|5.299097|49.080482|13.738567|7.986217|6.925248|7.950282|6.985417|4.305395|7.980272|3.240120|2.769315|2.764670|13.759377|36.858105| |3.041459|5.252232|4.701230|7.016277|11.300693|14.270864|8.026167|7.091959|6.397062|3.779076|3.212456|2.759124|2.318650|3.836083|4.583728|0.094620|11.007284|14.517554|52.514206|4.765676|3.961573|3.137103|2.876556|3.246889|2.133919|3.826995|1.851801|1.659673|1.693221|3.142455|3.982014|53.358707| |5.080580|10.582014|6.688592|7.814242|17.845842|7.744946|6.568948|4.453456|4.970610|3.608688|3.264656|3.092210|2.671858|4.412985|4.877934|0.099756|5.122670|4.037878|21.762060|2.532710|2.314756|2.026184|1.919755|2.314711|1.579366|2.841274|1.423869|1.303983|1.345478|2.037586|2.333907|7.111248|36.858105| |7.935900|17.930476|8.029222|6.701191|10.591549|5.159431|4.450680|3.376363|3.937221|2.900590|2.750123|2.650227|2.395109|3.691763|3.908616|0.078956|4.076798|3.234462|18.682579|2.197472|2.048751|1.809612|1.707082|2.081570|1.423453|2.547934|1.297096|1.194986|1.227135|1.789297|2.021187|5.499474|12.511778|36.858105| |17.415325|12.197534|6.983720|4.586102|5.728090|3.277026|2.848819|2.392792|2.875105|2.094307|2.041126|1.970614|1.852259|2.688983|2.790445|0.056271|3.071730|2.469687|15.564227|1.849278|1.758468|1.567800|1.471995|1.815935|1.244131|2.213980|1.147047|1.066113|1.083371|1.523245|1.697767|4.013482|4.586251|6.999557|0.500000| |17.571480|12.467970|5.703437|4.216612|5.394382|3.096372|2.768654|2.311388|2.816343|2.082628|2.014103|1.991023|1.874475|2.773105|2.854005|0.058264|2.920622|2.308830|14.418625|1.737319|1.636474|1.473487|1.403059|1.738706|1.202337|2.155043|1.108788|1.035226|1.055342|1.464384|1.625077|3.713143|4.735032|7.213544|0.300036|0.500000| |17.575286|12.475606|7.208889|4.742046|5.394112|3.099937|2.659320|2.257025|2.707744|1.950825|1.865640|1.811052|1.690112|2.518476|2.637883|0.054193|2.937378|2.387726|15.335726|1.810476|1.695103|1.514166|1.437867|1.772797|1.222522|2.192045|1.123882|1.051187|1.063565|1.505628|1.684340|3.888422|4.211278|5.712324|0.300095|0.301786|0.500000| |7.017606|12.277702|17.404088|8.872305|9.391145|4.962035|3.810634|3.129602|3.544105|2.462948|2.331262|2.159641|1.959759|2.944323|3.180071|0.064305|4.130345|3.543043|21.904492|2.435170|2.275008|1.959907|1.811720|2.183816|1.473837|2.619272|1.338376|1.231706|1.247219|1.888486|2.168101|6.266872|5.827865|7.142210|0.205033|0.142665|0.172919|0.500000| |7.302538|12.511678|17.562815|8.950984|7.685961|4.219441|3.294788|2.770072|3.179588|2.203432|2.054016|1.935915|1.759042|2.696548|2.918427|0.060337|3.710774|3.192211|20.536821|2.286108|2.093287|1.821311|1.715603|2.074503|1.415597|2.541357|1.283688|1.192788|1.201420|1.816245|2.087597|5.542312|4.982260|5.754147|0.175345|0.147355|0.222548|0.300907|0.500000| |4.198451|7.693204|8.893524|17.721333|12.494901|7.445121|4.811599|3.994418|4.234795|2.767853|2.485823|2.252719|1.976446|3.140418|3.549296|0.073634|5.595739|5.406697|32.646826|3.249151|2.852905|2.374962|2.208520|2.587624|1.735965|3.118527|1.541725|1.411981|1.424270|2.376634|2.860072|11.375076|5.689147|5.023127|0.110086|0.097760|0.112680|0.217956|0.212976|0.500000| |4.726403|9.507526|8.905933|17.499165|12.388730|6.485914|4.629218|3.704688|4.064365|2.742050|2.435215|2.278844|1.998215|3.270896|3.681491|0.078293|4.888917|4.314564|25.560677|2.760312|2.417568|2.081093|1.990383|2.368386|1.619178|2.944346|1.444067|1.334767|1.353197|2.168157|2.559290|8.123567|6.907207|5.799134|0.113296|0.113132|0.127271|0.174103|0.219555|0.301582|0.500000| |3.005408|5.128316|3.733505|4.575487|9.448325|8.740843|17.858341|8.934517|9.685280|7.194965|5.646771|4.880378|3.702356|7.060585|8.992994|0.172664|7.755817|5.135010|24.696133|3.060038|2.802107|2.462227|2.337365|2.791166|1.889912|3.393637|1.684447|1.514308|1.592088|2.479405|2.830531|7.727019|7.206598|4.762301|0.080453|0.080269|0.074190|0.100386|0.087036|0.114871|0.117955|0.500000| |1.962502|3.094487|2.378322|2.807478|4.610209|4.371331|5.835589|9.543836|26.018893|9.239753|6.441730|4.640438|3.474719|6.222141|8.417495|0.156990|11.064416|5.225180|27.830307|4.288798|4.079349|3.767871|3.640918|4.253191|2.804843|4.971260|2.416692|2.072167|2.254823|3.786206|4.109423|5.751931|3.107147|2.544817|0.053767|0.052327|0.050856|0.066032|0.059680|0.078933|0.074506|0.145099|0.500000| |1.996626|3.059102|2.254985|2.483796|4.141664|3.511085|4.536619|5.024347|8.775575|8.726931|17.803848|8.485984|6.299926|7.919302|8.081345|0.127517|5.511023|3.329257|18.864308|2.692817|2.739852|2.585817|2.417044|3.019023|2.029510|3.520223|1.864009|1.638167|1.776201|2.382989|2.504936|4.255262|3.048407|2.635402|0.055972|0.054212|0.050593|0.064262|0.055803|0.067473|0.064404|0.135280|0.166050|0.500000| |1.696877|2.518035|1.791029|1.907019|3.039956|2.402473|2.882642|2.961984|4.809610|4.639788|6.428816|8.890356|17.549707|8.214654|6.261439|0.105183|3.448054|2.220718|13.368504|1.909021|1.920213|1.872583|1.816991|2.359076|1.648523|2.894211|1.557962|1.406780|1.534856|1.806623|1.850288|2.936476|2.363798|2.138659|0.047237|0.047403|0.043267|0.050221|0.045225|0.050934|0.050923|0.089124|0.093358|0.168752|0.500000| |1.810882|2.691517|1.871922|1.985531|3.176685|2.455088|2.942203|2.892810|4.559134|4.438249|5.486192|8.963988|17.603507|10.203001|6.768417|0.116140|3.314692|2.171064|12.958959|1.811454|1.785244|1.721671|1.683719|2.170868|1.527613|2.715022|1.435297|1.310104|1.417181|1.704880|1.767218|2.937479|2.560330|2.311383|0.049867|0.051300|0.045930|0.051793|0.047162|0.052120|0.053607|0.094322|0.085357|0.131219|0.300707|0.500000| |1.950888|2.895119|2.024140|2.126990|3.451124|2.665158|3.197732|3.108661|4.804731|4.640884|6.440531|8.885557|17.548912|8.204953|6.255902|0.104854|3.541991|2.327138|13.770490|1.907959|1.905583|1.819256|1.743181|2.232047|1.547052|2.719465|1.452738|1.316140|1.415979|1.744023|1.820837|3.165732|2.768999|2.530669|0.054594|0.054843|0.048992|0.057022|0.050454|0.055982|0.056217|0.102664|0.089466|0.169586|0.302017|0.300654|0.500000| |1.823967|2.786891|2.312496|2.648678|3.823408|3.363660|3.289174|3.898237|4.769936|2.855891|2.645907|2.219299|1.950062|2.915650|3.316984|0.065945|6.937786|5.187760|46.891642|8.916502|17.736871|8.955815|5.637290|5.747788|3.278414|5.376761|2.776858|2.334133|2.337772|4.946505|5.665477|5.518384|2.373863|2.125164|0.051260|0.046992|0.048805|0.067122|0.060464|0.082404|0.068015|0.078442|0.106612|0.077586|0.053537|0.049591|0.053818|0.500000| |1.493497|2.242135|1.801751|2.017061|2.911234|2.484355|2.544873|3.020790|4.063473|2.528534|2.388542|2.041283|1.823688|2.676017|2.990477|0.059494|4.943682|3.397187|27.747535|5.647258|8.957018|17.690548|8.886899|10.032243|4.829898|7.097063|4.065831|3.150715|3.160343|5.637314|4.976979|3.806111|1.895926|1.714604|0.041819|0.039143|0.040100|0.051585|0.047594|0.060627|0.053201|0.063409|0.094606|0.070093|0.051240|0.046590|0.049597|0.216838|0.500000| |1.308504|1.951315|1.541936|1.715862|2.462579|2.066550|2.146047|2.516766|3.515465|2.249647|2.121972|1.865482|1.682365|2.479799|2.744499|0.055291|3.944639|2.676558|21.132900|4.084420|4.946090|7.700127|9.372587|26.089080|9.479767|10.885631|7.754716|4.961078|4.961916|5.750248|4.301779|3.084222|1.641440|1.487646|0.036364|0.034647|0.035287|0.043528|0.041052|0.050727|0.046173|0.054678|0.081958|0.061029|0.047723|0.043529|0.045124|0.117143|0.236668|0.500000| |1.145039|1.690247|1.318353|1.447457|2.066692|1.699168|1.770677|2.025293|2.874302|1.907632|1.824932|1.647708|1.513789|2.199468|2.386445|0.048255|3.047452|2.081603|15.954864|2.834925|3.169704|4.107698|4.825502|10.157637|8.658003|10.332545|17.702321|8.603321|8.602375|3.847879|3.047456|2.479612|1.404828|1.286002|0.031774|0.030556|0.030964|0.037047|0.035293|0.042260|0.039299|0.046059|0.065724|0.052094|0.043312|0.039587|0.040428|0.079183|0.121964|0.243876|0.500000| |1.025834|1.504013|1.167306|1.272655|1.793074|1.450360|1.495721|1.671922|2.350506|1.584945|1.513460|1.397532|1.296485|1.889852|2.031958|0.041565|2.479912|1.728526|13.272436|2.251628|2.388674|2.857356|3.326082|5.891447|5.520618|8.605552|8.610115|17.718060|8.614963|2.989165|2.463843|2.105531|1.228969|1.133677|0.028351|0.027475|0.027924|0.032583|0.031538|0.036997|0.034918|0.039239|0.052476|0.042639|0.036920|0.034362|0.034634|0.060492|0.081009|0.121582|0.213095|0.500000| |1.081594|1.595842|1.240901|1.366290|1.921570|1.563260|1.610806|1.810903|2.537559|1.691538|1.588140|1.466217|1.345057|2.006204|2.181387|0.045102|2.709088|1.887252|14.592497|2.508572|2.576501|3.062686|3.786047|6.612575|7.071421|12.858480|8.639026|17.742131|8.666315|3.590754|2.866270|2.282580|1.311581|1.200043|0.029728|0.028945|0.029481|0.034407|0.033558|0.039769|0.037743|0.042040|0.056733|0.044261|0.038043|0.035749|0.035775|0.063712|0.082885|0.123453|0.171980|0.291341|0.500000| |1.112261|1.647806|1.268789|1.401423|2.008367|1.647473|1.741810|1.987949|2.884983|1.940508|1.824492|1.685487|1.540730|2.304025|2.502813|0.051544|2.918868|1.966100|14.556885|2.508043|2.580951|3.070680|3.785251|6.610189|7.069886|12.861711|8.638644|8.666458|17.741932|3.574810|2.857610|2.363145|1.384699|1.256106|0.030554|0.029919|0.030080|0.035150|0.033978|0.040370|0.038661|0.045852|0.065629|0.050656|0.044037|0.040869|0.040456|0.063871|0.083264|0.123477|0.171958|0.171249|0.213243|0.500000| |1.052290|1.547948|1.190786|1.301340|1.864080|1.517913|1.600527|1.810502|2.623187|1.787693|1.717320|1.586761|1.472030|2.136778|2.288529|0.046528|2.640373|1.789436|13.245273|2.251249|2.392286|2.863965|3.325559|5.889799|5.519924|8.606539|8.609917|8.615156|17.717676|2.979823|2.458263|2.169245|1.289457|1.181327|0.029075|0.028316|0.028440|0.033222|0.031891|0.037486|0.035652|0.042335|0.059397|0.048366|0.042420|0.038913|0.038902|0.060631|0.081368|0.121607|0.213060|0.210125|0.171248|0.291334|0.500000| |1.466885|2.234153|1.773962|2.049426|2.915559|2.498205|2.571992|3.064040|4.153600|2.542535|2.244330|1.996958|1.745167|2.780523|3.201814|0.067459|5.002769|3.416689|27.682504|5.629128|4.953976|5.646377|8.908174|9.519024|6.832408|15.127987|4.456669|3.771070|3.752208|17.833394|8.926831|3.821606|1.914629|1.685778|0.039955|0.038783|0.039770|0.048728|0.047435|0.060771|0.056732|0.064162|0.095396|0.061509|0.048260|0.045852|0.046255|0.107567|0.123991|0.143222|0.107498|0.088234|0.112533|0.111451|0.087702|0.500000| |1.777344|2.773703|2.256929|2.726500|3.837799|3.403636|3.352583|3.999067|4.922630|2.877784|2.455275|2.163382|1.855474|3.052664|3.613335|0.077334|7.126203|5.277837|46.887674|8.939666|5.669768|4.980527|5.661735|5.655356|3.739588|7.234177|2.893497|2.555658|2.549169|8.972014|17.735630|5.579665|2.412763|2.072577|0.047975|0.046399|0.048246|0.061236|0.060196|0.082896|0.075974|0.079947|0.107875|0.066442|0.050179|0.048712|0.049642|0.124433|0.107955|0.098327|0.074836|0.063340|0.074577|0.074227|0.063122|0.216510|0.500000| |4.223194|7.724334|5.032915|5.670254|12.432075|7.266790|7.490949|4.892472|5.603976|4.254989|3.895388|3.692544|3.135897|5.220747|5.724497|0.113366|5.310919|3.967151|21.000844|2.519925|2.335817|2.060182|1.947815|2.358201|1.607193|2.880303|1.452816|1.324252|1.376368|2.049564|2.322544|6.590816|17.670353|8.999852|0.110998|0.113293|0.098118|0.132197|0.109942|0.127831|0.140974|0.268560|0.094909|0.099637|0.075520|0.082557|0.091191|0.066616|0.053815|0.046591|0.039902|0.034644|0.036835|0.039371|0.036763|0.053435|0.065949|0.500000| |4.694954|9.397044|5.736502|6.845643|12.359780|6.453561|5.791356|4.131661|4.736176|3.458625|3.070213|2.985769|2.577622|4.413019|4.891039|0.103636|4.790044|3.731333|20.550388|2.423110|2.189144|1.936016|1.862900|2.254932|1.553403|2.818362|1.399142|1.288578|1.329926|1.999873|2.284188|6.357636|17.496460|8.870764|0.112825|0.126612|0.112279|0.132377|0.128491|0.140874|0.198770|0.178265|0.082567|0.078181|0.063325|0.069900|0.072933|0.061426|0.050104|0.044170|0.038131|0.033675|0.036152|0.038203|0.035340|0.052780|0.066604|0.301331|0.500000| |7.311768|12.514657|5.750808|4.991275|7.696272|4.201504|3.884653|3.032519|3.661811|2.772809|2.664417|2.645812|2.432979|3.714354|3.832073|0.077472|3.634632|2.809230|16.480200|1.988375|1.864235|1.669705|1.587593|1.954003|1.345748|2.412877|1.233054|1.140448|1.174302|1.661302|1.853877|4.586139|8.942230|17.560759|0.175673|0.222616|0.147454|0.144623|0.128240|0.109866|0.129822|0.119865|0.065919|0.070318|0.059879|0.066210|0.071699|0.053382|0.044127|0.038822|0.033933|0.030089|0.031799|0.033442|0.031491|0.043809|0.052853|0.215446|0.219785|0.500000| |7.030051|12.289145|7.141567|5.828687|9.396311|4.941360|4.331207|3.349321|3.923510|2.897944|2.817415|2.676710|2.445291|3.625169|3.803259|0.075241|4.064678|3.210569|18.639755|2.203404|2.088270|1.840936|1.716821|2.095923|1.424668|2.531396|1.302734|1.195840|1.228438|1.778017|1.999840|5.379665|8.883678|17.400142|0.205613|0.172959|0.142900|0.212203|0.144685|0.131504|0.133236|0.127422|0.070907|0.076600|0.060894|0.064679|0.072971|0.060986|0.048820|0.041870|0.036070|0.031588|0.033222|0.034782|0.032941|0.046241|0.056219|0.222088|0.174092|0.300935|0.500000| 1793.422317 -10814.099504 4140.037971 -216.099028 -5096.738244 3301.519238 -1795.219006 2.001002 40E3F80000000008 44DFAA0E54FE1A6F 446079C904ADD7A4 427491B88ACAFFFD B826A9AD89346C6A 44E65748B5A5FF3B