Version2.1 2021-01-18T02:16:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCOCCn3c(=O)c(NCC1CCCO1)nc4cnc(c2ccc(OC)nc2)cc34 580183 CHEMBL584270 RHF 6-31G(d) (6D,7F) CCCOCCn3c(=O)c(NCC1CCCO1)nc4cnc(c2ccc(OC)nc2)cc34 C01[X(C23H29N5O4)] 177 C1 538 CCCOCCn1c2cc(ncc2nc(c1=O)NCC1CCCO1)c1ccc(nc1)OC CCCOCCn1c2cc(ncc2nc(c1=O)NCC1CCCO1)c1ccc(nc1)OC CCCOCCN1C(=O)C(=Nc2cnc(cc12)c3ccc(OC)nc3)NCC4CCCO4 InChIKey=WQNRPUZSDCBDJG-UHFFFAOYSA-N InChI=1S/C23H29N5O4/c1-3-9-31-11-8-28-20-12-18(16-6-7-21(30-2)25-13-16)24-15-19(20)27-22(23(28)29)26-14-17-5-4-10-32-17/h6-7,12-13,15,17H,3-5,8-11,14H2,1-2H3,(H,26,27) InChI=1/C23H29N5O4/c1-3-9-31-11-8-28-20-12-18(16-6-7-21(30-2)25-13-16)24-15-19(20)27-22(23(28)29)26-14-17-5-4-10-32-17/h6-7,12-13,15,17H,3-5,8-11,14H2,1-2H3,(H,26,27)/f/h26H CCCOCCn3c(=O)c(NCC1CCCO1)nc4cnc(c2ccc(OC)nc2)cc34 C01[X(C23H29N5O4)] 177 C01 538 CCCOCCn1c2cc(ncc2nc(c1=O)NCC1CCCO1)c1ccc(nc1)OC CCCOCCN1C(=O)C(=N[C]2[C]1[CH][C]([N][CH]2)[C]1[CH][CH][C]([N][CH]1)OC)NC[C@H]1CCCO1 CCCOCCN1[C]2[CH][C]([N][CH][C]2N=C(NC[C@H]3CCCO3)C1=O)[C]4[CH][CH][C]([N][CH]4)OC InChIKey=WQNRPUZSDCBDJG-QGZVFWFLSA-N InChI=1S/C23H29N5O4/c1-3-9-31-11-8-28-20-12-18(16-6-7-21(30-2)25-13-16)24-15-19(20)27-22(23(28)29)26-14-17-5-4-10-32-17/h6-7,12-13,15,17H,3-5,8-11,14H2,1-2H3,(H,26,27)/t17-/m1/s1 InChI=1/C23H29N5O4/c1-3-9-31-11-8-28-20-12-18(16-6-7-21(30-2)25-13-16)24-15-19(20)27-22(23(28)29)26-14-17-5-4-10-32-17/h6-7,12-13,15,17H,3-5,8-11,14H2,1-2H3,(H,26,27)/t17-/m1/s1/f/h26H 3132.0408880488 -1459.574978 1-A 22351.2893 117 421 538 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.58674 -20.56826 -20.56053 -20.55029 -15.63186 -15.57489 -15.55649 -15.55277 -15.55094 -11.37172 -11.32807 -11.32681 -11.30074 -11.28392 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1467.9624 1469.1440 1471.0794 1482.6857 1497.2016 1499.5902 1519.1030 1538.7597 1545.2645 1551.1589 1563.1873 1568.7998 1581.5076 1589.1798 1613.2559 1623.5468 1636.4836 1638.6069 1642.0878 1644.9940 1645.2252 1651.5276 1652.8409 1654.7143 1654.9663 1665.9068 1668.2974 1683.6728 1686.2360 1692.6377 1714.2118 1768.1302 1782.8623 1801.1520 1822.7681 1852.7640 1934.7074 3163.1979 3180.7202 3185.8172 3193.0217 3193.9379 3200.4977 3216.7081 3222.2006 3227.9302 3238.5445 3240.3284 3241.0935 3243.2924 3268.9391 3269.2291 3273.1074 3282.2031 3287.8151 3291.5560 3299.4426 3317.2034 3334.1521 3348.4382 3380.7132 3381.4325 3402.7722 3419.6926 3466.5195 3865.8936 4.4695 4.1115 4.1762 3.5731 4.6149 4.3857 4.0012 4.7744 1.6877 4.3347 4.6528 4.3220 5.2440 4.1007 4.4111 4.5870 4.2134 2.7869 2.5781 2.5337 2.8762 2.0222 3.4796 2.8970 1.1605 3.9173 2.6102 4.3546 5.6867 5.2203 3.7779 3.8092 3.3503 3.4845 3.3793 4.6349 6.0313 6.9503 3.9147 3.1219 5.1883 4.2325 5.8982 1.6401 3.0227 2.5032 2.0643 2.3815 7.0293 6.3286 5.3036 7.5673 4.7031 5.7875 1.0833 5.8368 4.3973 4.1806 9.2763 2.2974 5.1615 2.2840 1.5771 2.5520 1.9753 1.7902 1.6257 1.2987 2.2551 2.4474 2.3392 2.6569 3.5442 1.4125 1.4933 1.6168 2.8212 3.3285 1.3547 1.9472 2.7662 4.3756 2.7833 2.9791 2.7967 2.4335 1.7130 2.8461 3.2064 4.4986 3.0405 3.1107 4.4321 1.2682 2.8362 1.7234 1.3529 1.5235 1.3319 1.8083 1.7467 1.3842 1.3747 1.2365 1.5281 1.7427 1.4092 1.5007 1.2800 1.6958 1.3465 1.5810 1.4461 1.9006 1.4126 1.6049 2.8989 2.4712 1.6253 2.2047 1.4821 1.3457 1.3579 1.8671 3.1994 1.4954 1.4182 1.1000 1.0526 1.0486 1.1289 1.0410 1.0550 1.1034 1.1085 1.0955 1.2023 2.0208 1.1123 1.0985 2.9076 2.3359 6.6347 8.1020 6.2481 5.5817 9.4243 11.4742 1.0569 1.0659 1.0729 1.0723 1.1061 1.0380 1.0622 1.0767 1.0655 1.0744 1.0973 1.0295 1.1041 1.1053 1.1012 1.1011 1.1006 1.0937 1.1013 1.0618 1.1082 1.1080 1.1080 1.0927 1.0920 1.0906 1.0970 1.0915 1.0776 0.0004 0.0007 0.0018 0.0018 0.0034 0.0050 0.0051 0.0076 0.0033 0.0131 0.0179 0.0228 0.0352 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6.5866 6.5414 6.6391 6.7882 6.3715 6.8429 6.9590 6.9344 6.9505 6.9859 6.9656 7.0300 6.8104 7.1844 7.2574 7.3191 7.3582 7.3566 7.4401 7.5587 7.7278 9.4891 0.4099 0.0728 0.0832 0.3011 0.9553 0.5330 2.5286 0.1681 1.2753 0.7809 0.4822 1.1259 2.0330 7.8572 0.2616 1.9212 1.1371 6.7158 0.1800 0.8602 3.2998 3.8311 7.7431 0.5875 0.1539 4.5319 1.1820 2.0020 6.9365 2.5831 1.5748 2.3138 3.8847 2.2969 3.4970 31.3754 1.6339 8.9721 22.5434 12.3423 0.9649 21.7110 11.9624 173.9974 1.1462 7.9625 16.0005 6.7587 1.6150 0.1036 44.7562 2.3176 14.8510 0.6959 0.4957 1.7352 1.1558 9.4493 7.4890 2.8548 5.0042 3.8370 67.0083 11.7697 8.9574 8.0641 18.9496 1.9627 0.4548 6.8665 9.6730 15.3235 4.3543 7.6634 0.8499 1.0995 11.0905 3.5613 1.9474 2.8754 27.8228 92.2673 22.3488 35.4781 31.6495 56.1872 57.2258 9.0642 188.9023 20.0361 63.6726 71.4264 231.9335 5.4428 1.7076 15.8691 4.5648 4.8476 11.3720 111.7717 20.7313 63.2604 46.5567 0.7704 5.3551 104.7868 61.1255 14.2482 27.9512 231.1029 13.8242 7.2998 12.7610 58.6272 3.6328 17.7198 88.3734 63.0236 107.8806 359.0030 30.0219 34.5127 7.8780 3.0974 116.3106 2.1631 40.7239 2.9337 1.8161 3.2256 22.5565 5.6279 40.3012 19.5905 1.4910 33.2368 29.1672 136.2280 11.3579 2.0386 96.0102 759.2670 15.8460 92.6856 167.7564 351.2752 986.9625 377.4686 24.8488 92.6054 35.6096 96.6994 41.1737 53.3267 31.0372 28.5137 41.6609 41.5968 29.4806 64.7651 0.0571 92.8071 21.9405 43.3866 66.1772 21.2939 69.9226 23.6704 38.7413 49.9499 7.3048 24.8431 21.4265 5.0505 4.7850 2.5801 157.8012 0.6505 1.6890 1.1467 1.6811 0.9053 1.2342 1.2183 1.4699 0.1020 0.7488 1.2160 1.0923 2.0853 1.1355 0.4182 0.4653 0.6046 0.0517 0.6679 0.4748 1.6077 1.0468 0.4032 0.7638 0.0053 0.5260 0.7549 0.2448 1.8774 1.8529 0.9322 2.7015 1.7137 3.1404 0.9513 1.7692 2.8984 7.3688 1.4875 0.2806 18.3803 1.1181 2.0570 7.2671 0.7309 0.6960 0.7154 1.0131 7.4182 3.2659 6.4816 1.2727 4.1735 6.1920 0.0627 5.5172 2.8174 6.3734 4.0191 11.8555 30.1245 0.5720 4.3870 18.4197 3.5346 5.1122 1.6118 3.3097 1.7690 10.2236 3.0715 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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 7716.5978 33563.9957 38537.1917 0.99991 0.01287 -0.00211 -0.01284 0.99983 0.01322 0.00228 -0.01319 0.99991 1 0.01122 0.00258 0.00225 0.23388 0.05377 0.04683 18.68 24.71 38.65 42.26 50.96 63.18 67.16 74.70 82.90 103.00 116.40 136.20 153.54 180.69 187.31 206.00 217.75 247.10 270.22 299.34 319.09 323.27 337.60 349.22 363.33 384.23 415.83 432.17 485.37 508.81 563.60 632.75 645.69 664.01 676.66 690.79 700.94 713.56 717.30 763.44 772.03 791.90 809.66 863.43 876.63 919.14 923.85 934.18 1001.79 1028.68 1046.90 1083.52 1094.21 1166.03 1186.65 1191.94 1207.14 1232.08 1255.90 1291.37 1311.81 1352.09 1357.77 1363.94 1392.92 1398.29 1400.65 1411.61 1417.71 1432.58 1500.78 1517.16 1537.11 1543.92 1559.57 1564.75 1603.32 1609.47 1623.88 1625.76 1641.37 1675.58 1684.07 1688.23 1708.54 1758.59 1766.16 1778.00 1800.40 1804.13 1832.32 1835.29 1863.81 1865.36 1872.39 1879.85 1896.15 1915.49 1921.78 1947.05 1967.83 1989.69 2000.68 2006.64 2026.21 2031.09 2056.75 2077.83 2081.79 2084.58 2090.83 2112.07 2113.77 2116.56 2133.25 2154.14 2157.58 2185.65 2213.93 2223.29 2231.77 2249.08 2257.15 2275.44 2286.48 2321.12 2335.92 2354.53 2357.59 2362.60 2366.78 2367.11 2376.18 2378.07 2380.76 2381.13 2396.87 2400.31 2422.43 2426.12 2435.33 2466.37 2543.95 2565.14 2591.46 2622.56 2665.71 2783.61 4551.14 4576.35 4583.68 4594.05 4595.36 4604.80 4628.13 4636.03 4644.27 4659.54 4662.11 4663.21 4666.37 4703.27 4703.69 4709.27 4722.36 4730.43 4735.81 4747.16 4772.72 4797.10 4817.66 4864.09 4865.13 4895.83 4920.17 4987.55 5562.16 0.548856 0.577398 0.578343 0.484056 -1459.026122 -1458.997579 -1458.996635 -1459.090922 3.162401D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE CCCOCCn3c(=O)c(NCC1CCCO1)nc4cnc(c2ccc(OC)nc2)cc34 580183 CHEMBL584270 RHF 6-31G(d) (6D,10F) C1 439.221955 |X|Y|Z| 133.004715 60.951470 30.756397 62.940312 23 6 7 8 17 5 1 |36.858105| |12.466488|36.858105| |7.526740|12.545660|36.858105| |5.088249|8.017625|13.603423|73.516695| |3.904908|5.199467|8.101650|24.305412|36.858105| |3.115631|4.020507|5.193333|14.244844|12.554477|36.858105| |2.937497|3.738296|4.504098|11.366691|7.625963|12.997215|53.358707| |2.623114|3.173357|3.807118|8.582099|5.925203|7.945672|19.065048|36.858105| |2.517419|2.968819|3.657815|7.889338|5.857358|7.112379|11.506312|15.842074|73.516695| |2.358617|2.779592|3.143315|6.682284|4.158487|5.053015|10.656852|12.660834|14.359936|36.858105| |2.107478|2.406626|2.712605|5.517437|3.466278|3.988434|7.196486|7.992984|12.716277|14.171148|53.358707| |1.906925|2.133808|2.333251|4.610935|2.788966|3.103775|5.329488|5.074724|8.272502|7.803341|17.976945|36.858105| |1.698875|1.868846|2.046443|3.976594|2.431223|2.665794|4.309708|3.990044|7.064753|5.158020|10.699969|12.536836|36.858105| |1.551533|1.681930|1.807347|3.451281|2.064085|2.219548|3.513046|3.077437|5.392373|3.826083|6.809435|7.450382|12.362179|36.858105| |1.553618|1.661544|1.789362|3.354835|2.004158|2.097505|3.255557|2.836108|5.099405|3.365891|5.835868|5.643378|7.908740|12.431605|36.858105| |1.603517|1.718539|1.885444|3.541143|2.162510|2.257780|3.458521|3.088362|5.800493|3.532425|6.342619|5.491656|8.196116|8.057839|12.507832|36.858105| |1.741793|1.899203|2.110557|4.044458|2.510008|2.679010|4.209864|3.949474|7.472823|4.676707|9.439884|7.995351|13.462490|8.052191|8.207553|13.549267|73.516695| |2.347290|2.778648|3.012972|6.381517|3.720016|4.461502|9.233762|7.790774|9.645486|14.995850|11.272532|6.753619|4.468566|3.590860|3.110206|3.098723|6.887678|53.358707| |2.589406|3.172688|3.369983|7.432483|4.113641|5.065611|10.849906|6.927942|8.572593|8.368377|7.316295|4.533454|3.380237|2.851512|2.544774|2.545429|5.432298|18.753586|36.858105| |2.456577|2.960298|2.980593|6.308523|3.339587|3.895791|7.109069|4.602362|6.341605|5.382774|5.526780|3.768305|2.922563|2.588736|2.311359|2.254754|4.654983|10.837942|13.705334|36.858105| |2.561643|3.120130|3.023223|6.377804|3.239230|3.700860|6.217783|3.827167|5.493495|4.086283|4.399120|3.000412|2.438821|2.197508|1.997671|1.960064|3.970811|7.162154|7.974513|14.539924|53.358707| |2.892798|3.680231|3.543712|7.803109|3.805187|4.377691|7.006360|3.976075|5.741669|3.896465|4.172529|2.750016|2.277882|2.030630|1.871972|1.871540|3.794565|6.310995|6.980431|8.395727|19.477361|36.858105| |2.869431|3.579536|3.270125|6.844552|3.274567|3.579627|5.225110|3.094260|4.699476|2.994530|3.370677|2.265686|1.934503|1.755979|1.636484|1.634627|3.255372|4.637576|4.521041|5.284284|10.831762|12.822033|36.858105| |2.428378|2.881922|2.643332|5.330990|2.646361|2.882944|4.212963|2.618483|4.043758|2.611072|3.019267|2.081090|1.798550|1.658719|1.539519|1.522431|3.001236|4.065109|3.769009|4.602189|9.127395|7.579670|13.554307|36.858105| |2.312631|2.673145|2.414724|4.731135|2.352556|2.501360|3.539037|2.238441|3.538023|2.210635|2.613189|1.812149|1.593727|1.482760|1.388117|1.374857|2.682428|3.354801|2.980623|3.465940|6.186263|5.061190|7.933031|13.943654|36.858105| |2.541503|2.937628|2.590893|5.002154|2.440574|2.531024|3.467746|2.177184|3.483498|2.100800|2.492092|1.711945|1.515386|1.405496|1.328680|1.326572|2.582566|3.119021|2.746100|3.051769|5.231363|4.525522|6.993571|8.038880|13.592522|36.858105| |2.310695|2.579582|2.282099|4.302064|2.131747|2.183914|2.960154|1.895725|3.079893|1.832305|2.209664|1.529192|1.370308|1.280517|1.216473|1.214269|2.344832|2.688635|2.303911|2.523248|4.145989|3.437922|4.697339|5.343189|8.181815|14.303045|73.516695| |2.410126|2.641959|2.313261|4.270756|2.108404|2.114642|2.806203|1.802919|2.965441|1.720527|2.088460|1.439327|1.298543|1.212610|1.160685|1.165130|2.242657|2.485638|2.104080|2.245393|3.587950|2.998694|3.882463|4.030346|5.253124|8.082155|24.032753|36.858105| |3.015703|3.613160|3.113175|6.056538|2.856249|2.914367|3.911056|2.399701|3.833449|2.263581|2.657049|1.798379|1.584561|1.456010|1.382551|1.390871|2.721640|3.325935|2.966311|3.199584|5.447275|5.067645|7.949572|6.908423|7.997049|14.604043|14.842351|7.166937|53.358707| |3.275147|4.164496|3.635665|7.449364|3.416340|3.554980|4.859101|2.874014|4.483436|2.688612|3.076637|2.054152|1.780624|1.617760|1.528308|1.540300|3.047818|3.998599|3.723511|4.014925|7.133958|7.572871|13.835381|8.059302|7.052191|8.426442|9.711141|4.774518|19.467322|36.858105| |3.147471|4.181587|4.320577|10.575738|5.175199|6.417164|10.550833|5.162274|7.196646|4.608278|4.735606|2.967186|2.447143|2.126760|1.969294|2.008563|4.138008|7.036708|7.966946|7.072963|10.900768|13.749865|7.602305|5.089818|3.904800|3.763399|5.318714|2.733568|5.996152|6.335249|36.858105| |2.936560|3.776584|4.161183|10.119534|5.578749|7.571235|18.554865|7.938678|9.640405|6.930486|6.343175|3.751078|2.969010|2.497681|2.286696|2.349940|4.982154|10.610704|13.677386|8.015207|9.347268|7.959178|5.052730|3.902010|3.114037|2.970519|4.381399|2.280727|4.547381|4.352759|13.704935|36.858105| |17.565680|8.797446|5.487375|7.467086|3.298692|2.760065|3.608449|2.373463|4.014823|2.180274|2.659692|1.792808|1.599464|1.474932|1.473434|1.506557|2.891794|3.001195|2.443173|2.376718|3.426517|2.821649|2.879506|2.474003|2.394383|2.660228|4.342952|2.571499|4.277365|3.320506|2.963352|2.719834|0.500000| |17.535121|8.761704|6.805685|8.290565|3.755613|2.974465|3.711410|2.452363|4.260856|2.184365|2.685255|1.782111|1.607341|1.467880|1.472904|1.530451|2.945475|2.925403|2.347769|2.216697|3.136646|2.602085|2.600977|2.227412|2.145786|2.373270|3.894303|2.319799|3.813135|2.981286|2.850039|2.670985|0.301991|0.500000| |17.537114|8.763925|6.799618|8.311472|3.758300|2.997730|3.931712|2.648954|4.555872|2.404833|2.956599|1.974428|1.760246|1.611547|1.629997|1.683187|3.235422|3.234013|2.568634|2.418292|3.361279|2.721431|2.635544|2.257537|2.131792|2.293580|3.716054|2.151012|3.619164|2.905447|2.958575|2.855945|0.301989|0.301473|0.500000| |8.833911|17.543092|8.941074|12.988502|4.858788|3.942266|4.865174|2.975669|4.931479|2.607953|3.068283|2.004087|1.764511|1.591243|1.559518|1.610089|3.161989|3.581155|3.052030|2.898104|4.278120|3.822875|3.908300|3.106934|2.929301|3.329575|5.172237|3.033542|5.813738|4.863164|4.295565|3.677495|0.212289|0.210106|0.172615|0.500000| |8.824641|17.549775|8.949165|13.096862|4.872558|4.001449|5.398375|3.349399|5.408273|3.009354|3.492805|2.289435|1.972613|1.778635|1.749153|1.790517|3.528605|4.195782|3.589763|3.395851|4.903241|4.231793|4.026021|3.188246|2.892529|3.118569|4.773953|2.682357|5.186918|4.551881|4.696325|4.210893|0.211830|0.172504|0.210141|0.303363|0.500000| |6.878672|8.836529|17.488059|16.564568|7.273902|4.793868|5.993652|3.946396|6.872039|3.287610|3.920637|2.475914|2.169416|1.912868|1.917452|2.030304|4.035046|4.214514|3.346928|2.923111|3.921404|3.251710|2.938573|2.427058|2.209159|2.326935|3.672366|2.077399|3.705876|3.149627|3.895120|3.980582|0.140534|0.169244|0.203652|0.174026|0.212306|0.500000| |6.837248|8.835668|17.478158|16.545443|7.290904|4.724800|5.312568|3.381403|5.979983|2.789245|3.351542|2.128110|1.902904|1.686292|1.675644|1.778080|3.512906|3.601421|2.907840|2.594892|3.590520|3.067743|2.903764|2.398667|2.232298|2.418597|3.855378|2.234155|3.930500|3.262342|3.676946|3.537084|0.140145|0.202463|0.167598|0.213434|0.174111|0.301405|0.500000| |3.792655|4.766161|7.359541|16.517611|17.543265|8.888557|9.590436|6.413649|12.183546|4.447696|5.175719|3.014984|2.629966|2.212665|2.178227|2.381547|4.942205|5.199494|4.001261|3.210028|4.115404|3.402990|2.910507|2.406847|2.144685|2.201395|3.451667|1.916972|3.441677|2.977180|4.418150|5.067889|0.088433|0.100707|0.106278|0.117555|0.126840|0.222085|0.181784|0.500000| |3.723561|4.716822|7.114725|16.548304|17.481346|8.942749|7.607212|4.677024|8.689418|3.453730|4.082327|2.464021|2.205850|1.891511|1.846276|2.002390|4.076405|4.234127|3.381648|2.846359|3.816775|3.273302|2.939584|2.424524|2.201843|2.313715|3.649006|2.060081|3.677922|3.133562|4.238536|4.364651|0.087433|0.104193|0.098118|0.127318|0.116902|0.172118|0.213901|0.301105|0.500000| |2.731890|3.360690|4.269049|10.282002|8.959647|17.659888|12.596268|7.696436|14.435389|4.857747|5.514226|3.110711|2.745725|2.257744|2.131651|2.336145|4.964247|5.581757|4.346489|3.401291|4.336730|3.618140|3.041227|2.540879|2.237399|2.253728|3.515855|1.922028|3.462892|3.005886|4.877838|5.779038|0.067657|0.073777|0.073838|0.091596|0.091812|0.113256|0.113464|0.212102|0.222136|0.500000| |3.047103|3.967986|4.822274|13.067478|8.878798|17.665715|12.468830|5.875768|9.241051|4.270819|4.658525|2.770544|2.401003|2.036680|1.913353|2.032636|4.223465|5.471600|4.793493|3.895236|5.286576|4.838104|4.048788|3.197340|2.769547|2.825491|4.286660|2.329039|4.489546|4.080763|7.300506|7.243683|0.076228|0.081243|0.079446|0.113713|0.109075|0.117584|0.124398|0.174183|0.211057|0.303099|0.500000| |2.110389|2.390234|2.747766|5.524445|3.577307|4.015373|6.822410|7.768126|15.017594|9.525277|26.021941|9.067801|7.398807|4.714825|4.308408|5.094727|14.242109|8.216907|4.457985|3.454231|3.894552|2.786687|2.298104|2.053710|1.799843|1.736754|2.755650|1.478385|2.533539|2.138954|3.202248|4.169217|0.053905|0.055348|0.060730|0.061901|0.069723|0.082000|0.070109|0.112279|0.086990|0.117136|0.093774|0.500000| |1.838220|2.065563|2.223669|4.428268|2.637088|2.988188|5.164346|4.651993|7.286311|7.193855|12.561670|17.607819|8.885914|6.646871|4.759143|4.403887|10.206884|9.976752|4.848731|4.170761|4.415332|2.889764|2.365907|2.200005|1.900272|1.771615|2.804980|1.471890|2.509471|2.107735|3.045160|3.818198|0.048414|0.047650|0.052398|0.054463|0.061880|0.064524|0.056321|0.077235|0.064918|0.082416|0.075851|0.180820|0.500000| |1.975609|2.191722|2.373167|4.605591|2.728531|2.938686|5.003041|4.593634|7.478146|6.678589|12.377526|17.496710|8.864473|6.992825|5.985012|5.426317|12.539161|8.475912|4.358903|3.723330|4.056763|2.714196|2.248447|2.065030|1.802868|1.706957|2.713512|1.438730|2.442657|2.046488|2.891632|3.595803|0.051702|0.050900|0.057423|0.056576|0.065939|0.070871|0.059647|0.082742|0.066682|0.080199|0.072945|0.200531|0.302292|0.500000| |1.627774|1.797596|1.972504|3.868615|2.387709|2.671397|4.269338|3.922647|7.009112|4.904582|9.653443|8.932659|17.557151|8.721596|5.870991|6.395094|16.623870|5.775085|3.281567|2.840068|3.252094|2.245181|1.912960|1.785053|1.583591|1.503572|2.419878|1.288786|2.134719|1.758798|2.419162|2.921648|0.042600|0.043024|0.046461|0.047587|0.052364|0.057404|0.051336|0.070785|0.060729|0.077729|0.067379|0.187917|0.217407|0.174380|0.500000| |1.437108|1.553573|1.665581|3.179917|1.905253|2.057286|3.203322|2.761604|4.880631|3.327802|5.712136|5.632819|8.778545|17.565088|8.805132|6.736504|11.388599|4.279974|2.566863|2.358227|2.763421|1.884378|1.646065|1.566641|1.408524|1.334509|2.171644|1.157325|1.873324|1.519443|1.965968|2.278110|0.038048|0.037975|0.041258|0.041113|0.045366|0.048596|0.043503|0.056223|0.049002|0.058598|0.052935|0.111737|0.150186|0.141701|0.227351|0.500000| |1.560404|1.693516|1.798273|3.435326|2.023922|2.178477|3.484632|2.992475|5.094269|3.803530|6.433115|7.291755|8.674623|17.574766|8.671834|5.753988|10.516472|5.111966|2.976226|2.763199|3.164937|2.110748|1.821071|1.731741|1.541970|1.450899|2.345594|1.242715|2.035460|1.662920|2.175962|2.544020|0.041443|0.040782|0.044971|0.044552|0.050164|0.052690|0.046325|0.059792|0.051264|0.060692|0.055983|0.118048|0.202596|0.204942|0.186317|0.302572|0.500000| |1.436491|1.523700|1.629154|3.032603|1.801492|1.875392|2.866775|2.444353|4.402422|2.831276|4.708453|4.327917|5.684368|8.665528|17.581210|8.702044|10.362252|3.623375|2.236294|2.066097|2.465402|1.700485|1.504485|1.426203|1.295294|1.240822|2.031335|1.091966|1.749732|1.410124|1.774676|2.027275|0.038018|0.037970|0.041816|0.039880|0.044394|0.048290|0.042638|0.054003|0.046520|0.052964|0.047966|0.096668|0.107362|0.125845|0.130975|0.219386|0.192747|0.500000| |1.641575|1.750149|1.875851|3.491915|2.063936|2.134339|3.335572|2.889357|5.129626|3.452981|5.846519|5.652605|6.645277|8.783087|17.556652|8.855333|12.359740|4.401897|2.647036|2.412728|2.830676|1.941210|1.693458|1.588457|1.429957|1.369691|2.225385|1.194322|1.943659|1.581896|2.035172|2.363211|0.043273|0.042965|0.048174|0.045307|0.051523|0.056284|0.048445|0.062659|0.052440|0.059484|0.053946|0.118300|0.131081|0.186700|0.136654|0.174327|0.218498|0.301275|0.500000| |1.490084|1.592793|1.745404|3.278909|2.009499|2.107561|3.174886|2.794405|5.295082|3.119066|5.437520|4.529064|6.717486|6.824717|8.789085|17.508170|16.499445|3.754095|2.309442|2.062835|2.467028|1.738850|1.531686|1.434058|1.301826|1.257219|2.054629|1.110634|1.788896|1.447271|1.862595|2.155203|0.038967|0.039758|0.043215|0.041744|0.045795|0.051774|0.046134|0.060887|0.052301|0.061195|0.053141|0.121176|0.106597|0.119444|0.168107|0.186258|0.137685|0.217081|0.174004|0.500000| |1.651178|1.754363|1.932841|3.581978|2.187373|2.235460|3.378877|2.995838|5.715473|3.316869|5.741639|4.660500|5.952292|5.728774|8.662296|17.612896|16.731914|3.949435|2.429573|2.151608|2.570796|1.819868|1.598108|1.482051|1.344023|1.305398|2.128445|1.154580|1.870809|1.519167|1.960956|2.278902|0.042934|0.043850|0.048522|0.045355|0.050574|0.058435|0.050759|0.067732|0.056432|0.064088|0.055626|0.131461|0.104781|0.134126|0.135195|0.136547|0.127169|0.193672|0.218269|0.300704|0.500000| |2.220213|2.598427|2.604313|5.332901|2.864313|3.265233|5.754885|4.002334|5.707948|4.948585|5.410537|3.934437|3.034204|2.752241|2.421582|2.307169|4.718912|10.029166|8.984337|17.713468|12.689954|5.887440|4.293497|4.028136|3.143271|2.742251|4.121724|2.062949|3.817889|3.372834|5.054693|5.690242|0.060116|0.055900|0.061350|0.070289|0.082094|0.072006|0.063792|0.078030|0.069051|0.081737|0.089667|0.092704|0.125819|0.109282|0.081311|0.069486|0.083606|0.060241|0.070435|0.058513|0.060607|0.500000| |2.215776|2.595556|2.427828|4.892650|2.486492|2.747358|4.122881|2.616280|4.017200|2.683748|3.112962|2.175151|1.871987|1.735071|1.594653|1.563770|3.084322|4.269837|3.932218|5.082760|10.207765|7.028624|8.882315|17.755821|8.967007|5.675633|7.615364|3.345196|6.769450|5.702021|4.726210|3.848501|0.062354|0.056545|0.058129|0.075984|0.079909|0.063026|0.061234|0.063735|0.063044|0.068130|0.083242|0.058174|0.064842|0.059798|0.051695|0.045579|0.050711|0.041039|0.045642|0.040913|0.042013|0.127775|0.500000| |2.063256|2.333605|2.127706|4.119257|2.083667|2.213467|3.138305|2.025280|3.227383|2.022791|2.424425|1.700977|1.508306|1.415727|1.324194|1.305448|2.531382|3.063910|2.657979|3.093132|5.313726|4.093802|5.615810|8.887089|17.759415|8.879792|13.303929|4.819650|7.780775|5.049769|3.264752|2.715173|0.059473|0.053538|0.053328|0.070150|0.069647|0.054707|0.055100|0.053351|0.054537|0.055828|0.067312|0.046403|0.049742|0.047004|0.041707|0.037533|0.040994|0.034491|0.037816|0.034451|0.035385|0.080302|0.212425|0.500000| |2.446017|2.711811|2.407609|4.482223|2.222011|2.232705|2.910258|1.856668|3.065869|1.749928|2.120781|1.450120|1.311092|1.217528|1.164779|1.175997|2.270504|2.507115|2.124065|2.231859|3.540294|3.015387|3.858650|3.854367|4.777989|7.120298|16.430427|17.616563|9.774602|4.875385|2.820573|2.340538|0.071423|0.066229|0.060223|0.087870|0.075129|0.059407|0.065334|0.055516|0.060953|0.056444|0.069193|0.041860|0.041090|0.040061|0.036275|0.032318|0.034511|0.030403|0.033194|0.031196|0.032375|0.056511|0.088998|0.119186|0.500000| |2.683509|2.908746|2.474473|4.482889|2.176481|2.143466|2.845658|1.828843|3.010188|1.742469|2.113979|1.456426|1.310842|1.224690|1.178171|1.182632|2.273206|2.513653|2.126352|2.260619|3.598345|3.011678|3.853431|3.855388|4.782310|7.121377|16.431522|17.617507|9.772087|4.871287|2.762196|2.308928|0.081203|0.071283|0.065818|0.093531|0.082088|0.061556|0.066121|0.055145|0.058891|0.053782|0.064968|0.041642|0.041178|0.040682|0.035956|0.032353|0.034869|0.030765|0.033812|0.031220|0.032674|0.057622|0.089076|0.119381|0.300590|0.500000| |2.157252|2.317972|2.053941|3.762948|1.885559|1.891819|2.516765|1.638228|2.711648|1.572829|1.927040|1.336731|1.214107|1.140089|1.092828|1.095106|2.097255|2.266161|1.893136|2.018990|3.178702|2.593308|3.240602|3.437443|4.410056|5.923671|16.997873|17.643332|6.988024|3.779643|2.377316|2.027172|0.063952|0.058102|0.054064|0.072635|0.065168|0.051826|0.055478|0.048060|0.051421|0.048287|0.057377|0.037955|0.037991|0.037122|0.033506|0.030324|0.032456|0.028669|0.031191|0.029078|0.030142|0.052175|0.082175|0.119986|0.298752|0.298739|0.500000| |3.881231|5.284275|4.524188|9.481748|4.081428|4.097049|5.397015|3.115938|4.881260|2.824072|3.212824|2.111863|1.829281|1.648389|1.567898|1.594183|3.165710|4.108550|3.809756|3.884026|6.494507|6.920028|8.918106|5.675963|5.046942|5.944602|7.851381|4.193330|12.753482|17.723245|6.914895|4.695998|0.106895|0.097496|0.093307|0.181232|0.157926|0.104343|0.110919|0.096124|0.103268|0.093588|0.131718|0.062650|0.059409|0.058531|0.050046|0.042851|0.046760|0.040054|0.045153|0.041512|0.043920|0.089886|0.124330|0.109229|0.122425|0.122631|0.094130|0.500000| |3.410528|4.690701|4.912935|12.791828|5.942976|7.147539|9.521703|4.677102|6.900152|3.951091|4.228505|2.644489|2.238996|1.952479|1.829539|1.885551|3.853526|5.667727|5.655489|5.066772|7.777088|8.942798|7.009775|4.698150|3.824231|3.899339|5.534835|2.916021|6.547800|6.985013|17.848593|8.890774|0.088176|0.086968|0.086729|0.140361|0.139452|0.116307|0.117643|0.131014|0.137837|0.145407|0.257081|0.081750|0.074253|0.071586|0.061760|0.050467|0.054956|0.046069|0.052337|0.048895|0.051524|0.109444|0.115998|0.088211|0.085516|0.081985|0.069681|0.239904|0.500000| 1457.859166 -9679.093548 3825.912771 -196.294544 -4591.616155 3132.041113 -1459.575042 2.001177 408A3FFFFFFFFFD2 44A09B863CF57E1B 44222B3D8684EA3C 41D12C9AEEFFFFFF 4008000000000000 43AF4419A2792676