Version2.1 2021-01-27T06:37:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)[C@@H](C)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4Cl C39695872 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)[C@@H](C)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4Cl C01[X(C26H33Cl1N3O2)] 189 C1 550 CCc1ccc(cc1)[C@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1Cl)C CCc1ccc(cc1)[C@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1Cl)C CCc1ccc(cc1)[C@@H](C)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4Cl InChIKey=WXPSZKDJOFPKTM-XMSQKQJNSA-O InChI=1S/C26H32ClN3O2/c1-3-19-8-10-20(11-9-19)18(2)29-24(31)22-16-30(17-26(22)12-14-28-15-13-26)25(32)21-6-4-5-7-23(21)27/h4-11,18,22,28H,3,12-17H2,1-2H3,(H,29,31)/p+1/t18-,22-/m1/s1 InChI=1/C26H32ClN3O2/c1-3-19-8-10-20(11-9-19)18(2)29-24(31)22-16-30(17-26(22)12-14-28-15-13-26)25(32)21-6-4-5-7-23(21)27/h4-11,18,22,28H,3,12-17H2,1-2H3,(H,29,31)/p+1/t18-,22-/m1/s1/fC26H33ClN3O2/h28-29H/q+1 CCc1ccc(cc1)[C@@H](C)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4Cl C01[X(C26H33Cl1N3O2)] 189 C01 550 CCc1ccc(cc1)[C@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1Cl)C CC[C]1[CH][CH][C]([CH][CH]1)[C@H]([NH][C](=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][CH][CH][C]1Cl)C CC[C]1[CH][CH][C]([CH][CH]1)[C@@H](C)NC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)[C]4[CH][CH][CH][CH][C]4Cl InChIKey=IZZSBYSLSJUXRG-XMSQKQJNSA-N InChI=1S/C26H33ClN3O2/c1-3-19-8-10-20(11-9-19)18(2)29-24(31)22-16-30(17-26(22)12-14-28-15-13-26)25(32)21-6-4-5-7-23(21)27/h4-11,18,22H,3,12-17,28H2,1-2H3,(H,29,31)/t18-,22-/m1/s1 InChI=1/C26H33ClN3O2/c1-3-19-8-10-20(11-9-19)18(2)29-24(31)22-16-30(17-26(22)12-14-28-15-13-26)25(32)21-6-4-5-7-23(21)27/h4-11,18,22H,3,12-17,28H2,1-2H3,(H,29,31)/t18-,22-/m1/s1/f/h29H 3403.7182086584 -1776.1899849 1-A 21009.3851 121 429 550 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984.4659 995.2516 1012.9779 1033.2018 1041.5492 1058.9995 1085.6730 1088.1311 1091.1598 1093.0193 1101.1399 1110.6661 1115.6585 1128.9913 1131.9108 1135.9742 1138.7700 1138.8029 1157.2907 1162.5648 1175.3101 1184.2020 1198.9114 1204.7129 1206.9127 1220.5517 1227.0024 1238.1217 1246.0770 1286.1930 1292.7069 1307.7930 1313.3029 1319.1796 1324.5779 1332.0439 1334.2765 1339.1242 1344.7892 1357.4160 1375.6124 1390.6493 1400.9549 1408.5964 1417.9254 1449.6130 1453.6673 1454.5819 1464.9272 1496.7060 1499.3239 1505.1232 1511.5615 1514.4591 1534.5212 1543.1673 1552.9063 1557.8566 1561.7656 1562.8403 1565.4121 1568.1476 1582.0643 1587.5311 1604.2557 1629.2433 1631.7790 1635.5785 1640.5866 1640.6475 1644.1358 1648.1899 1652.4135 1654.2371 1659.2991 1675.1633 1683.7292 1693.6458 1703.6617 1767.7119 1769.2847 1801.4996 1823.8271 1827.8991 1914.3000 1949.5630 3195.8972 3204.9442 3206.9876 3216.6772 3219.9566 3240.1022 3246.4368 3256.0604 3265.5454 3273.7911 3273.9777 3276.2071 3278.7945 3286.6491 3293.4265 3298.0429 3298.4072 3300.4237 3311.8996 3331.7212 3337.2852 3346.2564 3352.1658 3353.9119 3367.0336 3373.1347 3378.6942 3388.3038 3400.4787 3408.3020 3667.6307 3731.3712 3878.3158 5.2529 3.6445 5.5321 3.8564 5.1362 3.8154 4.0382 6.0256 5.9697 3.7590 4.6323 4.2334 4.6017 4.1384 5.1738 4.3005 2.7811 4.8832 2.3754 4.6723 2.3078 1.6532 2.7542 2.8111 1.2007 4.2549 4.1167 3.1826 3.9344 3.3924 3.4373 2.4364 2.5552 3.4030 3.2798 2.8546 2.9930 7.7484 3.7691 3.2681 3.2412 1.2879 4.0032 3.2367 2.4024 2.8085 3.2987 2.7571 5.1224 5.7631 3.9398 3.2475 6.7269 3.2419 4.8470 3.5126 4.7324 3.0559 2.8442 1.1944 2.1720 1.6846 2.6213 3.5267 5.0321 1.4882 1.5550 2.5918 1.2557 2.7546 2.2446 1.6010 2.5392 3.0345 2.4126 1.8664 1.5682 1.4830 1.4016 1.8357 1.3670 2.7444 2.9734 1.8152 2.1428 1.9214 2.2925 1.9881 2.8430 1.7570 2.1283 1.8366 1.9017 2.9939 2.5524 2.1893 1.8191 1.4623 1.7105 1.5629 2.1043 2.3663 1.1607 2.8584 2.0633 1.6469 1.3832 1.7660 1.2276 1.4719 2.2045 1.6196 1.2695 1.5968 1.7791 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0.5532 5.8129 6.3748 1.0535 11.6653 6.1896 0.0494 20.1678 2.4579 3.9018 2.2771 1.7606 11.6347 1.9864 2.4125 6.0157 11.2246 12.7424 6.5793 2.5756 49.4089 1.3155 11.5083 1.3181 5.1531 5.2477 12.6682 11.0096 19.2591 4.6878 9.6360 23.2798 0.0527 0.1252 0.1738 4.2745 23.1294 17.9762 0.4289 13.0073 21.5154 9.2803 2.6957 19.3285 13.9657 40.0092 4.3202 1.8389 7.9068 2.4583 1.9258 4.9773 23.4361 1.4378 13.5132 3.6889 1.1485 0.7390 16.5071 0.0201 6.7308 4.4109 1.3931 9.3708 6.7441 5.9227 1.5745 22.0404 4.0541 3.7142 12.1868 7.7431 10.6607 8.3006 31.9810 8.3997 5.9149 6.3376 14.2182 12.0344 1.2958 5.5147 12.1856 3.0219 2.8500 56.4996 2.8431 22.6343 76.9639 35.4444 76.4491 4.0340 10.5648 4.6366 26.5212 8.0578 5.6572 26.2094 7.1909 8.8972 37.1060 4.4939 24.0672 200.2056 25.8368 101.2595 84.7832 0.5768 27.7498 159.1214 45.7826 57.5804 12.5390 67.7658 7.9330 27.1528 1.1651 8.0106 8.3399 9.3720 7.2594 27.7444 1.6481 16.0088 17.0937 19.0075 184.6143 504.7137 2.6882 0.3370 25.5204 4.6652 101.7977 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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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8741.0992 31555.2952 35251.0793 0.99987 0.01386 -0.00878 -0.01382 0.99990 0.00417 0.00884 -0.00405 0.99995 1 0.00991 0.00274 0.00246 0.20647 0.05719 0.05120 11.62 28.06 29.98 46.53 52.43 58.54 67.34 80.65 88.72 130.01 140.31 150.75 181.93 205.93 212.66 239.19 276.35 302.41 307.15 320.82 335.91 367.27 371.85 392.40 397.17 430.79 445.24 464.87 475.13 496.39 523.44 560.86 580.80 604.55 618.32 656.48 668.03 678.42 702.41 715.02 737.13 754.08 772.52 793.54 830.90 850.07 923.23 930.75 1007.32 1015.78 1029.28 1071.97 1105.46 1143.13 1173.56 1193.25 1213.87 1220.21 1226.52 1227.83 1252.59 1253.87 1261.39 1274.85 1297.88 1351.71 1359.30 1369.02 1374.73 1405.82 1416.43 1431.95 1457.45 1486.55 1498.56 1523.66 1562.04 1565.58 1569.94 1572.61 1584.29 1598.00 1605.18 1624.37 1628.57 1634.41 1638.44 1638.48 1665.08 1672.67 1691.01 1703.80 1724.97 1733.31 1736.48 1756.10 1765.38 1781.38 1792.83 1850.54 1859.92 1881.62 1889.55 1898.01 1905.77 1916.51 1919.73 1926.70 1934.85 1953.02 1979.20 2000.83 2015.66 2026.66 2040.08 2085.67 2091.50 2092.82 2107.70 2153.43 2157.19 2165.54 2174.80 2178.97 2207.83 2220.27 2234.29 2241.41 2247.03 2248.58 2252.28 2256.21 2276.24 2284.10 2308.17 2344.12 2347.77 2353.23 2360.44 2360.53 2365.54 2371.38 2377.45 2380.08 2387.36 2410.19 2422.51 2436.78 2451.19 2543.34 2545.61 2591.96 2624.08 2629.94 2754.25 2804.99 4598.18 4611.20 4614.14 4628.08 4632.80 4661.78 4670.90 4684.74 4698.39 4710.26 4710.52 4713.73 4717.45 4728.75 4738.51 4745.15 4745.67 4748.57 4765.08 4793.60 4801.61 4814.52 4823.02 4825.53 4844.41 4853.19 4861.19 4875.01 4892.53 4903.79 5276.90 5368.61 5580.03 0.600714 0.629329 0.630273 0.536638 -1775.589271 -1775.560656 -1775.559712 -1775.653347 3.140533D-04 MUNgauss RevisionA2.0 retrievium 27-Jan-2021 DUDE CCc1ccc(cc1)[C@@H](C)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4Cl C39695872 RHF 6-31G(d) (6D,10F) C1 454.226130 |X|Y|Z| 59.826285 39.741439 125.899056 66.893825 26 6 7 23 3 |36.858105| |12.421515|36.858105| |7.507384|12.584089|36.858105| |5.641597|7.533124|13.718418|36.858105| |4.150877|5.002925|7.883969|13.748795|36.858105| |3.729067|4.398252|6.761009|7.894559|13.730461|36.858105| |4.158493|5.004052|7.882103|6.914570|7.994609|13.687804|36.858105| |5.662722|7.530613|13.692499|8.003182|6.916080|7.891756|13.770724|36.858105| |2.897120|3.256885|4.393858|5.009804|7.556801|12.548848|7.496060|4.994529|36.858105| |2.722835|3.038788|3.983030|4.819900|7.416415|8.965677|5.595193|4.197728|17.622901|0.500000| |2.524672|2.873642|3.696689|3.956959|5.216778|7.468660|6.123052|4.311125|12.456535|0.248603|36.858105| |2.758819|2.944698|3.803942|4.132248|5.539391|7.829011|6.158085|4.374743|12.934417|0.256904|7.699570|53.358707| |2.360275|2.469833|3.042654|3.324960|4.244348|5.197777|4.299338|3.353729|7.715810|0.204062|5.916968|19.370612|36.858105| |2.140895|2.262312|2.746558|3.051671|3.886245|4.523235|3.686666|2.953805|6.773380|0.206972|5.782671|11.563645|15.775068|73.516695| |2.239206|2.267330|2.702347|2.869263|3.435030|4.003502|3.594279|2.962602|4.986078|0.131370|4.139600|10.703580|12.461461|14.157759|36.858105| |2.357219|2.366930|2.817923|2.903409|3.400583|4.059657|3.848483|3.170344|4.789677|0.119262|4.043165|10.347316|8.889193|10.521516|17.566743|0.500000| |2.270763|2.248889|2.638565|2.859563|3.359260|3.643492|3.222808|2.776545|4.212608|0.117893|3.391723|7.915989|7.600200|10.748637|12.320856|0.243104|36.858105| |1.952591|1.942987|2.234373|2.426362|2.811421|2.983246|2.649747|2.321882|3.476874|0.100638|2.963237|5.981002|5.866570|9.898426|8.040687|0.163734|13.085727|53.358707| |1.796252|1.814148|2.086659|2.243344|2.610983|2.839272|2.543422|2.201427|3.430295|0.098492|3.080844|5.848999|6.060453|11.151717|7.923267|0.158491|7.865690|17.873713|36.858105| |1.894883|1.918405|2.226302|2.343239|2.731589|3.099775|2.848515|2.417345|3.794711|0.102921|3.461222|6.957866|7.371058|11.689710|12.264246|0.242220|7.825372|11.097573|12.358491|36.858105| |1.774773|1.827141|2.118560|2.210536|2.577492|2.977224|2.768689|2.328715|3.734513|0.099984|3.704781|6.451164|6.425451|11.385248|7.343117|0.174345|4.979477|6.967787|7.399050|12.385125|36.858105| |1.558182|1.595390|1.812428|1.879315|2.140720|2.407807|2.274851|1.968886|2.892095|0.078645|2.925417|4.679173|4.275906|7.853444|4.825850|0.121619|3.835763|5.731103|5.984417|7.465807|12.511106|36.858105| |1.517210|1.533323|1.721474|1.762223|1.971041|2.202246|2.126724|1.871625|2.551216|0.068525|2.538818|4.149708|3.625803|6.285855|4.368472|0.117410|3.621922|5.317157|5.069756|6.437739|7.676757|12.640772|53.358707| |1.404541|1.418317|1.578294|1.613821|1.789761|1.977822|1.915338|1.704714|2.263070|0.061237|2.269399|3.585956|3.068809|5.416806|3.569078|0.096044|3.093228|4.598699|4.253687|4.901015|5.669864|9.156988|25.687207|0.500000| |1.549470|1.567083|1.759114|1.781026|1.983443|2.241027|2.200735|1.934113|2.577258|0.067994|2.595108|4.201868|3.562038|6.016789|4.251061|0.120228|3.434334|4.789600|4.330751|5.768648|7.042203|9.205889|25.677448|0.328384|0.500000| |1.579173|1.575014|1.764058|1.812439|2.019411|2.229585|2.143607|1.901605|2.544585|0.068768|2.435492|4.224736|3.722197|6.262323|4.884067|0.130708|4.307256|6.517686|5.989145|7.404452|6.477884|7.590384|17.205246|0.254604|0.255379|36.858105| |1.805932|1.796782|2.042758|2.105115|2.375537|2.660220|2.541311|2.219302|3.066568|0.081844|2.835015|5.400798|4.912828|7.698294|7.597336|0.205205|6.209818|8.624899|7.496776|12.310772|7.608063|6.511902|10.458231|0.157626|0.194968|12.507182|36.858105| |1.870302|1.844899|2.087316|2.285165|2.596574|2.654148|2.359343|2.119989|2.983320|0.088055|2.556428|4.818168|4.349201|7.645941|5.211296|0.118384|7.870503|19.105071|7.569478|5.200362|3.808249|3.366862|4.341580|0.079834|0.080218|3.844284|4.574436|36.858105| |1.992401|1.939748|2.181421|2.404502|2.695358|2.686156|2.387211|2.179801|2.916683|0.086161|2.453135|4.627441|3.946146|6.749932|4.568447|0.109127|7.076284|11.635381|5.309151|4.204201|3.208500|2.832505|3.712337|0.068870|0.070280|3.232226|3.846720|15.916775|73.516695| |1.637230|1.624543|1.814610|1.976617|2.221052|2.260559|2.028133|1.838071|2.540016|0.075333|2.260180|3.945777|3.505342|6.492526|3.974772|0.093138|5.013743|10.552509|6.448966|4.338478|3.456966|3.270487|4.193335|0.079564|0.075890|3.634494|3.918273|12.621194|14.369955|36.858105| |1.585576|1.586738|1.768799|1.949404|2.193224|2.195324|1.947491|1.771737|2.465562|0.074758|2.208704|3.690312|3.220633|6.199745|3.400556|0.080371|4.086205|7.582099|5.040719|3.599688|3.059479|2.903400|3.626123|0.069718|0.066413|2.982118|3.166689|7.678852|11.098798|13.702594|36.858105| |1.424805|1.428367|1.575349|1.722135|1.913667|1.914576|1.719361|1.577192|2.131865|0.064148|1.957202|3.132056|2.676301|5.168405|2.793036|0.067723|3.187329|5.567913|3.988386|3.015711|2.684511|2.649375|3.332011|0.065588|0.060966|2.683228|2.730578|5.054444|7.794183|7.896683|13.777138|36.858105| |1.331422|1.328766|1.455878|1.570690|1.729550|1.747103|1.593588|1.467438|1.934339|0.057183|1.798152|2.865160|2.434855|4.620990|2.604325|0.064179|2.918724|5.071017|3.740417|2.895159|2.596682|2.655246|3.425476|0.068665|0.062112|2.784068|2.727210|4.436996|6.809315|6.836050|7.952446|13.751572|36.858105| |1.359796|1.348841|1.478747|1.582252|1.739892|1.775813|1.633688|1.501860|1.965082|0.057306|1.821410|2.972231|2.543580|4.723960|2.828016|0.069947|3.196829|5.708473|4.201988|3.228509|2.817307|2.917955|3.880334|0.077816|0.069472|3.282607|3.154640|4.980494|7.383140|7.881693|6.882690|7.939992|13.768444|36.858105| |1.498124|1.480747|1.636551|1.754789|1.944410|1.995428|1.827407|1.668288|2.220704|0.064613|2.022051|3.441770|3.002779|5.486488|3.470044|0.084257|4.112540|7.970864|5.513984|3.986860|3.267026|3.274148|4.372398|0.085052|0.077931|3.883019|3.892250|7.447369|10.008363|13.743266|7.995347|6.911057|7.976222|13.769600|36.858105| |1.506296|1.474689|1.622661|1.710453|1.877030|1.952798|1.826060|1.672599|2.149364|0.060966|1.964518|3.402229|2.928654|5.122909|3.582553|0.090339|4.177052|7.546907|5.214020|4.214026|3.358445|3.422173|4.950984|0.096167|0.088176|4.821937|4.673888|6.077964|8.783941|6.970429|4.748426|4.224269|4.777271|7.070150|10.861619|448.794386| |17.554780|8.763075|6.797843|5.941277|4.367026|3.760071|3.963179|5.031564|2.947495|0.078392|2.507586|3.851884|2.443556|3.943011|2.326633|0.067372|2.414665|2.816923|1.876372|1.956301|1.808756|1.585106|2.097823|0.039597|0.043447|1.617740|1.858053|2.002508|3.844732|1.740617|1.688328|1.508568|1.402393|1.430123|1.581209|12.698726|0.500000| |17.550812|8.761425|6.794848|5.009778|3.953953|3.759158|4.378555|5.975648|2.944696|0.075409|2.569045|3.922292|2.449799|3.890283|2.359294|0.070242|2.373094|2.746281|1.856219|1.985286|1.853329|1.622417|2.166637|0.040805|0.045420|1.661330|1.911532|1.914056|3.612278|1.665872|1.596472|1.431632|1.344937|1.383772|1.531532|12.503810|0.301661|0.500000| |17.556824|8.783390|5.482419|4.417941|3.407225|3.096621|3.411504|4.427612|2.495380|0.065783|2.224992|3.246241|2.080692|3.393306|1.990331|0.057995|2.021854|2.403980|1.633089|1.713857|1.613654|1.433061|1.907159|0.036241|0.039737|1.455896|1.646341|1.704780|3.224402|1.508992|1.465870|1.327838|1.245926|1.270570|1.390451|11.233201|0.301293|0.301322|0.500000| |8.852643|17.553618|8.922781|7.145625|4.727080|3.962548|4.217384|5.670575|3.024635|0.080581|2.692811|3.670906|2.304755|3.821114|2.105099|0.060155|2.106746|2.514315|1.726766|1.801360|1.720521|1.512592|1.970421|0.037358|0.040883|1.484764|1.680213|1.772690|3.320114|1.574349|1.553052|1.404244|1.301815|1.312549|1.432596|11.351895|0.210702|0.172965|0.213225|0.500000| |8.850819|17.549564|8.920064|5.680719|4.219671|3.962291|4.725066|7.127422|3.022100|0.077387|2.769115|3.731626|2.310174|3.773825|2.129155|0.062159|2.079322|2.464246|1.711256|1.823843|1.758548|1.544730|2.026729|0.038361|0.042502|1.518035|1.719201|1.711023|3.168275|1.518905|1.481291|1.342107|1.255882|1.276778|1.395693|11.213544|0.172962|0.210661|0.213176|0.304203|0.500000| |5.520076|6.983434|8.917218|17.703300|8.946963|5.636936|4.972590|5.668550|4.097037|0.114922|3.343660|4.744436|2.939508|4.901778|2.583493|0.071761|2.638647|3.109273|2.099336|2.150773|2.021968|1.743031|2.230340|0.041953|0.045740|1.691765|1.944519|2.197052|4.154684|1.917849|1.911286|1.696515|1.542052|1.543230|1.701199|13.211669|0.171612|0.128422|0.124870|0.214067|0.143944|0.500000| |3.544124|4.090010|5.632065|8.945409|17.703141|8.915214|5.663818|4.973345|7.018757|0.229130|4.893446|7.114389|4.293402|7.311728|3.425927|0.090971|3.443404|4.007779|2.718038|2.757408|2.587416|2.157091|2.675940|0.049722|0.054336|2.019502|2.362395|2.761282|5.112672|2.369086|2.380255|2.064543|1.839558|1.831035|2.043473|15.531903|0.106081|0.093020|0.083431|0.112369|0.097289|0.217154|0.500000| |3.553000|4.094254|5.634599|4.972082|5.658757|8.875329|17.693336|8.970372|6.914525|0.139862|6.484383|8.494094|4.384974|6.599291|3.715408|0.113705|3.186402|3.582825|2.582048|2.978904|2.963633|2.420403|3.087849|0.056485|0.066125|2.256333|2.675557|2.307690|4.087518|1.995616|1.900317|1.685579|1.575826|1.625616|1.817426|14.738985|0.093267|0.106465|0.083598|0.097299|0.112447|0.107831|0.124053|0.500000| |5.557166|6.986190|8.910307|5.669849|4.973047|5.633049|8.951622|17.699436|4.080593|0.096428|3.740312|5.104938|2.973896|4.675508|2.706804|0.081649|2.523389|2.903499|2.038117|2.254899|2.189795|1.875479|2.455458|0.045831|0.052191|1.826505|2.111973|1.950696|3.553190|1.705753|1.637225|1.468695|1.378310|1.416088|1.566402|12.733754|0.129270|0.173582|0.125420|0.143677|0.213220|0.124302|0.107847|0.217831|0.500000| |2.550583|2.896157|3.689190|3.724698|4.615707|6.704610|6.586312|4.553904|8.759919|0.173906|17.568635|9.417803|5.254256|8.596625|3.974264|0.113310|3.199889|3.775648|2.890367|3.353248|3.635518|2.894248|3.488188|0.063545|0.074248|2.438234|2.834481|2.385931|4.077166|2.111909|2.037843|1.817833|1.691937|1.729722|1.918618|15.248669|0.069181|0.073318|0.062539|0.074048|0.079154|0.086826|0.115194|0.223574|0.113679|0.500000| |2.229809|2.482706|3.081318|3.312374|4.234011|5.477976|4.615903|3.486034|8.836535|0.217115|17.586747|9.525463|6.343313|12.235050|4.333888|0.113377|3.462029|4.251699|3.378155|3.791462|4.271112|3.323870|3.785655|0.068845|0.078298|2.613607|3.008737|2.662851|4.444513|2.386756|2.339341|2.078399|1.909069|1.929859|2.137127|16.531363|0.061993|0.063040|0.055260|0.065309|0.066535|0.080399|0.116148|0.136440|0.086309|0.300616|0.500000| |2.510847|2.930910|3.746833|4.057969|5.250494|6.841141|5.652824|4.233539|8.837270|0.213809|17.573351|7.605929|4.565895|8.256488|3.395740|0.091935|2.922067|3.549816|2.686888|2.922432|3.105749|2.553305|3.044169|0.056382|0.063219|2.148656|2.449534|2.311503|3.983962|2.074664|2.058946|1.844776|1.690964|1.696033|1.860842|14.398687|0.068918|0.069752|0.061873|0.077673|0.078876|0.096280|0.138432|0.156939|0.101821|0.301259|0.300956|0.500000| |3.019608|3.158928|4.095218|4.271560|5.432146|7.637744|6.822606|4.862257|8.990998|0.186426|6.069629|26.064560|9.438758|10.876693|7.543976|0.238038|5.829095|5.712000|3.958830|4.803885|4.297431|3.208955|4.035009|0.071208|0.084571|3.078904|4.002016|3.417790|5.968268|2.767501|2.549639|2.171725|2.007991|2.104233|2.445348|19.881583|0.085787|0.089696|0.071679|0.078587|0.081542|0.098773|0.135102|0.195012|0.116555|0.168038|0.148969|0.130892|0.500000| |2.306754|2.234619|2.577986|2.736170|3.105676|3.335312|3.065517|2.711228|3.649911|0.099692|2.996848|6.626402|5.650778|8.127057|8.688607|0.224495|17.592705|12.375528|6.030153|6.346880|4.265511|3.457832|4.697137|0.082652|0.092317|4.246817|6.140721|6.829605|12.055028|4.525811|3.639325|2.916166|2.737270|3.052503|3.917284|34.266596|0.068285|0.067771|0.057212|0.057771|0.057464|0.070453|0.086635|0.084456|0.069439|0.080542|0.083439|0.072692|0.145454|0.500000| |2.474226|2.457845|2.924306|3.269544|3.923055|4.117040|3.492006|3.010277|4.685009|0.136010|3.566007|8.476072|7.502254|10.881618|8.659569|0.189135|17.618764|12.345550|6.042349|5.727133|4.175575|3.283632|4.153541|0.074024|0.081180|3.476211|4.614938|7.163711|13.083608|4.666236|4.061442|3.143557|2.799212|2.968006|3.708632|28.764783|0.074207|0.071007|0.060616|0.064240|0.062151|0.084049|0.114431|0.092697|0.074395|0.091239|0.098930|0.086301|0.170574|0.303961|0.500000| |1.641425|1.649698|1.869423|1.993251|2.275951|2.446445|2.229863|1.963186|2.877937|0.082300|2.651531|4.723334|4.536076|8.386178|5.669528|0.126618|5.796169|12.395615|17.635859|8.642910|6.282907|6.113089|7.423665|0.131633|0.122891|6.764766|7.076570|6.847781|8.574448|6.959092|5.191077|4.294533|4.258170|5.061317|6.779626|52.070256|0.047523|0.047085|0.041809|0.043781|0.043443|0.052274|0.065624|0.063038|0.051016|0.069949|0.080446|0.065399|0.090671|0.138280|0.129831|0.500000| |1.777818|1.818923|2.104258|2.290991|2.705471|2.931794|2.571574|2.209206|3.646803|0.108111|3.313355|5.984992|6.343439|13.613378|6.768031|0.137349|6.417599|12.311477|17.606729|8.798907|7.090279|5.697522|6.054305|0.106734|0.107389|4.742332|5.502087|6.446493|8.485372|5.949779|5.245463|4.173825|3.757143|3.975979|4.888709|34.213913|0.051544|0.050592|0.044896|0.048416|0.047633|0.059664|0.079558|0.072087|0.056395|0.084134|0.103671|0.080588|0.107705|0.135783|0.155106|0.301421|0.500000| |1.783483|1.859167|2.172699|2.298669|2.725618|3.150506|2.853622|2.374882|4.115933|0.112979|4.183232|6.834990|7.036324|14.568288|6.601078|0.150616|4.685276|6.607723|6.895068|8.790683|17.647740|8.985121|7.617782|0.126910|0.143933|4.862069|5.516345|3.715447|5.593881|3.419254|3.144312|2.760400|2.612281|2.754510|3.143109|24.667243|0.050538|0.051266|0.044986|0.048939|0.049598|0.058417|0.077050|0.084060|0.061371|0.109849|0.141513|0.096904|0.119605|0.108169|0.115206|0.158200|0.217198|0.500000| |1.838352|1.899095|2.209322|2.266259|2.629706|3.115201|2.979261|2.479752|3.879780|0.099553|3.966670|6.776588|6.182926|10.094040|6.848550|0.185808|4.506003|5.832281|5.446180|8.806989|17.494549|8.909122|9.430222|0.144600|0.207137|5.691305|6.817518|3.293693|5.122597|2.954022|2.642851|2.341362|2.270327|2.451234|2.808289|23.636778|0.051555|0.053757|0.046342|0.049263|0.051160|0.056964|0.071807|0.091166|0.065373|0.112973|0.125287|0.090747|0.128578|0.111501|0.107220|0.131776|0.144305|0.304039|0.500000| |1.494570|1.527184|1.726837|1.807608|2.056083|2.269636|2.118004|1.849985|2.710693|0.075483|2.704924|4.301658|3.957588|7.556203|4.408155|0.107639|3.752319|5.979919|6.535767|6.695162|8.743253|17.624828|12.428986|0.224019|0.181160|6.956642|5.751992|3.600110|5.262453|3.665223|3.259675|3.009726|3.049645|3.362556|3.730764|30.247713|0.042470|0.042960|0.038288|0.040486|0.040909|0.046998|0.058295|0.061624|0.048745|0.072950|0.085200|0.066621|0.081475|0.093178|0.090002|0.204621|0.178059|0.212553|0.173097|0.500000| |1.492896|1.539140|1.742756|1.797201|2.038001|2.298300|2.190589|1.899816|2.750541|0.074426|2.882079|4.307455|3.780261|7.038091|4.008036|0.104074|3.227185|4.687407|4.567856|5.448546|8.771823|17.626473|12.360847|0.222934|0.224210|5.576514|4.889991|2.854639|4.375442|2.800382|2.560086|2.381482|2.385074|2.568398|2.801244|23.177635|0.041927|0.043103|0.038273|0.040610|0.041669|0.046298|0.056835|0.065224|0.050551|0.079986|0.091867|0.070530|0.081848|0.081676|0.079216|0.128040|0.127048|0.212644|0.215578|0.301311|0.500000| |1.510941|1.506773|1.681483|1.743874|1.942580|2.112370|2.005942|1.790190|2.409639|0.066368|2.295573|3.925150|3.488522|6.073441|4.429182|0.113376|4.172422|6.853085|6.480139|6.594887|5.678779|6.917813|12.420184|0.224868|0.181075|17.654708|8.735146|4.187470|6.074516|4.186987|3.360426|3.051004|3.243435|3.955169|4.712349|48.055593|0.043218|0.043837|0.038803|0.039726|0.040202|0.045593|0.054597|0.057918|0.047542|0.062893|0.068700|0.056863|0.078430|0.112477|0.094763|0.236277|0.141296|0.127193|0.131680|0.208328|0.142835|0.500000| |1.526748|1.511597|1.675700|1.705217|1.873855|2.057763|2.008366|1.805616|2.296724|0.061703|2.203959|3.758290|3.183754|5.303145|4.077177|0.114315|3.720923|5.428514|4.573185|5.424549|4.885962|5.576716|12.359474|0.222314|0.224687|17.625561|8.777922|3.362904|5.202995|3.193518|2.648722|2.419443|2.539849|3.000879|3.474690|36.055846|0.043328|0.044798|0.039292|0.039526|0.040625|0.044336|0.051717|0.058802|0.048630|0.061936|0.064765|0.054513|0.077523|0.106301|0.085362|0.140675|0.104575|0.107511|0.128473|0.143027|0.126465|0.301807|0.500000| |1.877469|1.865352|2.121848|2.149951|2.408883|2.744181|2.691080|2.344917|3.119167|0.080954|2.912471|5.547206|4.757086|7.169567|7.090221|0.228738|5.439411|6.782468|5.492368|8.787424|6.803357|5.683183|9.389080|0.144142|0.205036|8.922658|17.511672|3.791569|5.964231|3.247816|2.717355|2.374737|2.361929|2.678423|3.203905|30.354872|0.053199|0.055791|0.047462|0.048024|0.049891|0.054672|0.065352|0.080229|0.062640|0.083034|0.084571|0.069428|0.118244|0.155917|0.117578|0.141106|0.123145|0.139328|0.199554|0.132339|0.127681|0.173299|0.217337|0.500000| |1.836286|1.802861|2.035039|2.103797|2.351000|2.580619|2.459813|2.182220|2.900358|0.078248|2.616508|5.051715|4.474490|6.987997|6.899373|0.186779|6.909623|9.708902|7.043362|8.732221|5.512182|4.888949|7.632551|0.127217|0.143482|9.022419|17.599228|5.269038|7.933345|4.324301|3.358152|2.852709|2.859679|3.379012|4.327757|44.855293|0.052934|0.054019|0.046538|0.046875|0.047619|0.054389|0.065186|0.070750|0.057607|0.072157|0.075775|0.063601|0.106102|0.211501|0.138150|0.189573|0.140939|0.123067|0.139237|0.129014|0.107726|0.214369|0.212780|0.303704|0.500000| |1.682275|1.691934|1.897838|2.123890|2.411758|2.379311|2.074866|1.884015|2.675858|0.082910|2.359564|3.942477|3.417860|6.670445|3.467644|0.081475|4.203571|7.367414|4.749790|3.499663|2.996171|2.760986|3.404529|0.064938|0.063256|2.754016|3.000145|7.216203|11.413827|8.946819|17.730423|8.923358|5.652110|4.958395|5.678390|31.462269|0.050033|0.046748|0.043036|0.046199|0.043598|0.058129|0.074032|0.055629|0.047927|0.059680|0.069104|0.061407|0.074901|0.101791|0.122431|0.126738|0.143127|0.087271|0.072651|0.084378|0.068338|0.083809|0.068078|0.072800|0.087576|0.500000| |1.384317|1.394316|1.533020|1.682935|1.864948|1.849246|1.656204|1.525446|2.049787|0.062142|1.893916|2.950812|2.483700|4.841213|2.523127|0.061693|2.828487|4.725334|3.411709|2.675816|2.441392|2.403174|3.001456|0.059322|0.055500|2.366099|2.410958|4.130227|6.663147|5.632550|8.935699|17.735849|8.908789|5.646629|4.973224|27.388878|0.040706|0.038416|0.035937|0.038308|0.036398|0.046349|0.056253|0.044923|0.039421|0.048650|0.055807|0.050124|0.056617|0.071906|0.079044|0.099288|0.101531|0.070696|0.059833|0.075063|0.061062|0.073406|0.059689|0.059245|0.069166|0.215374|0.500000| |1.241015|1.240118|1.350607|1.451641|1.587797|1.601078|1.468885|1.359676|1.761792|0.051926|1.655832|2.579709|2.162232|4.102755|2.285895|0.057090|2.509719|4.203298|3.142696|2.529350|2.326424|2.411166|3.125810|0.063524|0.057066|2.492310|2.406978|3.549143|5.623205|4.933927|5.650254|8.904224|17.731708|8.946286|5.667847|31.703916|0.036202|0.034762|0.032406|0.033844|0.032669|0.039704|0.046794|0.040400|0.035612|0.043422|0.048787|0.043556|0.050311|0.065930|0.067253|0.098260|0.088376|0.065176|0.057159|0.076512|0.061207|0.079813|0.064003|0.058791|0.069400|0.124163|0.214288|0.500000| |1.283665|1.270458|1.384532|1.469128|1.603335|1.642014|1.526860|1.410286|1.804689|0.052122|1.689161|2.724158|2.302968|4.234736|2.570888|0.064796|2.843048|4.884716|3.656765|2.953252|2.625463|2.786799|3.807959|0.077946|0.068248|3.217107|2.986734|4.064810|6.227002|5.631085|4.959959|5.641671|8.894358|17.750485|8.937173|54.480763|0.037352|0.036375|0.033449|0.034307|0.033552|0.039783|0.046509|0.042407|0.037173|0.044938|0.049609|0.043774|0.053960|0.076846|0.072911|0.122692|0.095131|0.070457|0.064220|0.088713|0.068775|0.108260|0.083681|0.071198|0.088583|0.107670|0.123995|0.214842|0.500000| 1774.611104 -10949.971314 4206.285916 -210.834200 -5179.908495 3403.718454 -1776.190041 2.000890 408AFFFFFFFFFFF3 4491F680BFDAB115 4412EC836C5B545E 4278985A34C00002 B83294549C4D9288 4419E00D0AB7FB22