Version2.4 2021-05-25T22:22:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)N(Cc1ccccc1)C(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)[O-] C13221134 RHF 6-31G(d) (6D,7F) CC(C)(C)N(Cc1ccccc1)C(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)[O-] C01[X(C24H26N3O4S1)] 168 C1 536 [O-]C(=O)CCn1c(SCC(=O)N(C(C)(C)C)Cc2ccccc2)nc2c(c1=O)cccc2 [O-]C(=O)CCn1c(SCC(=O)N(C(C)(C)C)Cc2ccccc2)nc2c(c1=O)cccc2 CC(C)(C)N(Cc1ccccc1)C(=O)CSC2=Nc3ccccc3C(=O)N2CCC([O-])=O InChIKey=ZVDBYLBQGYPYMF-UHFFFAOYSA-M InChI=1S/C24H27N3O4S/c1-24(2,3)27(15-17-9-5-4-6-10-17)20(28)16-32-23-25-19-12-8-7-11-18(19)22(31)26(23)14-13-21(29)30/h4-12H,13-16H2,1-3H3,(H,29,30)/p-1 InChI=1/C24H27N3O4S/c1-24(2,3)27(15-17-9-5-4-6-10-17)20(28)16-32-23-25-19-12-8-7-11-18(19)22(31)26(23)14-13-21(29)30/h4-12H,13-16H2,1-3H3,(H,29,30)/p-1/fC24H26N3O4S/q-1 CC(C)(C)N(Cc1ccccc1)C(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)[O-] C01[X(C24H26N3O4S1)] 168 C01 536 [O-]C(=O)CCn1c(SCC(=O)N(C(C)(C)C)Cc2ccccc2)nc2c(c1=O)cccc2 [O][C]([O])CCN1[C]([N][C]2[C]([CH][CH][CH][CH]2)C1=O)SCC(=O)N(C(C)(C)C)C[C]1[CH][CH][CH][CH][CH]1 CC(C)(C)N(C[C]1[CH][CH][CH][CH][CH]1)C(=O)CS[C]2[N][C]3[CH][CH][CH][CH][C]3C(=O)N2CC[C]([O])[O] InChIKey=HTISOINCWNBQQN-UHFFFAOYSA-N InChI=1S/C24H26N3O4S/c1-24(2,3)27(15-17-9-5-4-6-10-17)20(28)16-32-23-25-19-12-8-7-11-18(19)22(31)26(23)14-13-21(29)30/h4-12H,13-16H2,1-3H3 InChI=1/C24H26N3O4S/c1-24(2,3)27(15-17-9-5-4-6-10-17)20(28)16-32-23-25-19-12-8-7-11-18(19)22(31)26(23)14-13-21(29)30/h4-12H,13-16H2,1-3H3 3309.8738390432 -1784.3549021 1-A 19925.1041 120 416 536 |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|A|A| -91.87818 -20.46491 -20.44010 -20.28710 -20.28098 -15.53158 -15.52841 -15.47158 -11.29287 -11.27857 -11.26834 -11.23874 -11.20443 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110.7907 114.4158 133.2330 151.2526 172.8835 174.6111 179.8190 201.7106 228.3367 235.0404 257.6018 266.9791 284.1095 316.7899 321.2236 327.1331 350.2872 370.7722 399.4203 412.3521 418.0532 430.4915 436.2084 455.8626 458.2813 480.2876 500.3491 503.0856 517.4280 529.3409 538.7572 584.9282 592.7328 595.9776 622.7158 632.6250 636.8493 659.4850 680.4673 688.6878 703.2678 730.5722 751.7375 772.3112 778.5431 793.9279 800.9894 839.0010 857.6603 865.5188 883.0982 884.6883 893.3030 911.3626 927.2318 961.2990 970.7621 982.0615 983.1922 993.6978 1004.8941 1012.3164 1040.3155 1049.7538 1060.8024 1088.5777 1099.3108 1102.5235 1102.7074 1115.5511 1117.9944 1121.3604 1126.8210 1133.4126 1151.5875 1157.9525 1158.5170 1165.3716 1189.4416 1202.8257 1218.7487 1227.7692 1241.7790 1259.9635 1285.5888 1299.9838 1306.4343 1316.1513 1324.9530 1337.3569 1350.8091 1361.3449 1363.4735 1365.4435 1381.7191 1404.8260 1415.1157 1433.0801 1436.4525 1455.8117 1487.6540 1489.3804 1524.4199 1533.6197 1535.7776 1541.8933 1562.1205 1564.2960 1593.1456 1608.5841 1620.3508 1621.9396 1624.1209 1635.1158 1637.3065 1641.5692 1644.7125 1651.0379 1655.4005 1660.9444 1670.1740 1673.8115 1687.8433 1740.9432 1783.3605 1783.9419 1810.9482 1816.2083 1906.9185 1909.8877 1944.7649 3206.4143 3215.6076 3217.6263 3229.6058 3248.6464 3270.4845 3279.7481 3286.6031 3299.4984 3305.2383 3308.9942 3326.4633 3334.6373 3339.3862 3346.2977 3349.4160 3349.8782 3354.4774 3366.9296 3371.9995 3380.6090 3387.3621 3395.1018 3409.3431 3413.1666 3418.0630 5.7584 6.1038 7.7196 8.2138 8.7700 4.1480 5.9877 4.1507 4.9382 4.4564 4.2961 3.8413 4.8360 4.8489 6.2776 3.5652 5.6338 4.9570 5.0164 3.9495 1.4136 1.8529 2.2401 2.2016 4.2218 4.6137 2.9647 8.3736 4.6210 1.5984 4.4505 1.9732 3.3237 3.7988 2.8460 2.6205 3.9625 2.8195 3.4713 5.3998 2.0881 5.8645 5.7835 6.4636 3.6425 2.9423 2.9994 1.8590 8.4232 6.1315 5.9392 4.5280 6.8255 7.8780 3.1825 3.8271 2.2297 3.5731 2.2470 1.6438 1.5345 3.1008 3.6154 4.0037 4.8457 4.9995 1.2471 5.9190 3.9954 1.6853 1.7896 1.7407 1.7682 1.8424 1.6203 1.2257 5.6880 1.3537 1.4915 4.0174 2.3628 1.3179 2.4413 1.3505 2.2165 3.4948 2.3659 1.3987 1.5556 1.9174 2.3904 2.3632 1.7854 2.2444 1.6479 1.9763 1.7733 1.2321 1.4209 1.9088 1.7137 2.3479 2.1410 2.5209 2.5585 1.4302 1.8171 2.3739 2.1813 2.0877 1.4145 1.7499 1.3679 2.3911 1.8014 4.6636 1.5172 1.2452 1.3416 1.2174 1.0887 2.0224 1.1594 2.2903 1.0642 1.0524 1.1025 1.0632 2.6114 1.1060 1.0600 1.4814 1.3405 1.0631 8.7867 5.1608 7.7650 5.1970 5.8347 10.9534 11.6624 12.1695 1.0645 1.0427 1.0425 1.0425 1.1002 1.1028 1.0974 1.0993 1.0730 1.0653 1.1003 1.0996 1.0637 1.0874 1.0953 1.0879 1.1009 1.0909 1.0937 1.0924 1.0977 1.0957 1.1057 1.0948 1.0939 1.0933 0.0004 0.0006 0.0033 0.0062 0.0082 0.0040 0.0072 0.0084 0.0107 0.0151 0.0266 0.0278 0.0373 0.0507 0.0846 0.0628 0.1012 0.0944 0.1203 0.1213 0.0460 0.0724 0.0941 0.1047 0.2496 0.2805 0.1869 0.6054 0.3743 0.1502 0.4459 0.2032 0.3629 0.4259 0.3485 0.3243 0.5385 0.4159 0.5176 0.8518 0.3447 1.0029 1.1659 1.3380 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81.8006 26.5547 39.4522 23.6917 31.5839 18.7929 8.0661 20.2370 12.8195 3.2933 14.2567 44.9401 39.8705 41.4510 25.1054 11.3070 10.0721 2.2657 1.2638 1.2047 1.8464 0.2878 3.6442 5.3155 6.1638 0.5558 2.3435 1.0226 2.4791 2.0382 0.3743 0.7249 1.2484 0.2976 3.2759 2.6874 0.7675 0.4200 3.6294 0.5727 0.2182 0.8215 0.3762 0.9500 1.8418 1.3904 2.3988 3.8943 0.2643 1.4292 1.0943 2.2624 1.0928 0.3157 0.6258 0.5028 0.4779 0.7468 0.2886 0.8492 1.3449 5.2517 4.8479 0.5277 1.2426 4.6813 1.1747 2.1284 5.4540 3.9286 1.2066 4.5465 1.4503 1.4917 3.2887 4.2542 10.2248 0.9662 2.0334 0.2428 4.1636 27.9377 0.4675 14.3526 14.6110 2.1585 6.6533 9.4419 4.5155 3.7498 5.8679 3.9076 0.9361 1.9041 0.3500 27.1897 0.3216 0.6863 1.2443 3.4639 0.5611 27.0246 0.4889 8.4698 4.5262 0.5817 6.0195 5.3906 0.3139 10.1123 1.9576 5.7543 10.0972 4.7336 14.3977 3.8812 3.0451 7.9853 8.5958 5.1346 3.0674 2.9901 1.3223 4.1613 9.7023 44.4987 19.1445 13.6080 104.6536 7.2477 18.5871 0.9994 15.8177 6.3023 22.0341 1.3687 2.4761 1.8003 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 15.99491 15.99491 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 10187.7860 27322.9545 34621.9955 1.00000 0.00110 0.00026 -0.00111 0.99994 0.01123 -0.00024 -0.01123 0.99994 1 0.00850 0.00317 0.00250 0.17715 0.06605 0.05213 15.19 18.27 38.87 51.49 57.22 58.33 64.78 84.22 87.31 109.17 147.43 159.40 164.62 191.69 217.62 248.74 251.23 258.72 290.22 328.53 338.17 370.63 384.12 408.77 455.79 462.17 470.67 503.99 533.46 574.68 593.28 601.49 619.38 627.61 655.88 659.36 691.03 719.89 723.83 744.46 761.60 775.15 841.58 852.81 857.48 895.95 910.21 916.28 948.85 979.04 990.87 1011.85 1051.13 1081.58 1111.18 1120.15 1142.29 1152.45 1207.14 1233.98 1245.29 1270.58 1272.87 1285.26 1311.25 1334.08 1383.09 1396.71 1412.97 1414.59 1429.71 1445.82 1456.50 1496.78 1510.36 1526.26 1566.22 1581.66 1586.29 1586.55 1605.03 1608.54 1613.39 1621.24 1630.73 1656.88 1666.04 1666.85 1676.71 1711.34 1730.60 1753.51 1766.49 1786.64 1812.81 1849.68 1870.39 1879.67 1893.65 1906.31 1924.16 1943.51 1958.67 1961.73 1964.57 1987.99 2021.23 2036.04 2061.88 2066.73 2094.59 2140.40 2142.89 2193.30 2206.54 2209.64 2218.44 2247.54 2250.67 2292.18 2314.39 2331.32 2333.61 2336.75 2352.57 2355.72 2361.85 2366.37 2375.48 2381.75 2389.73 2403.01 2408.24 2428.43 2504.83 2565.86 2566.69 2605.55 2613.12 2743.63 2747.90 2798.08 4613.32 4626.54 4629.45 4646.68 4674.08 4705.50 4718.83 4728.69 4747.24 4755.50 4760.90 4786.04 4797.80 4804.63 4814.58 4819.06 4819.73 4826.34 4844.26 4851.56 4863.94 4873.66 4884.79 4905.28 4910.79 4917.83 0.502854 0.530984 0.531928 0.439175 -1783.852049 -1783.823918 -1783.822974 -1783.915727 3.110951D-04 MUNgauss RevisionA2.1 retrievium 25-May-2021 DUDE CC(C)(C)N(Cc1ccccc1)C(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)[O-] C13221134 RHF 6-31G(d) (6D,10F) C1 452.164403 |X|Y|Z| 70.043264 118.504720 31.225671 63.758477 21 6 7 16 17 3 1 |36.858105| |12.373256|36.858105| |7.697945|12.379644|36.858105| |7.780283|12.345318|7.492547|36.858105| |7.644078|12.709451|7.625233|7.537152|53.358707| |6.820689|7.408836|5.446991|5.082174|17.629434|36.858105| |5.626985|5.691365|5.154110|3.974759|10.190205|12.518792|36.858105| |4.365772|4.814249|4.933129|3.527938|8.351320|7.478577|13.670429|36.858105| |3.567567|3.732147|4.011170|2.886797|5.845339|4.990224|7.897461|13.768323|36.858105| |3.439939|3.353947|3.527436|2.638891|5.011390|4.411323|6.809492|7.916705|13.728347|36.858105| |3.954729|3.605360|3.599121|2.805716|5.329769|5.004230|7.875124|6.879439|7.965077|13.780113|36.858105| |5.157866|4.563716|4.231609|3.389240|7.043958|7.559950|13.715247|7.973760|6.910126|7.942064|13.727143|36.858105| |4.989594|7.437108|5.947260|6.055358|18.859020|8.000957|5.744581|5.575781|4.001764|3.306416|3.337984|4.108575|36.858105| |4.031085|5.230251|4.509865|4.417876|11.545129|7.319793|5.682292|5.837314|4.179704|3.385677|3.354325|4.055630|15.829710|73.516695| |4.207430|6.261396|5.575129|6.336047|10.316013|4.999670|4.039145|4.077581|3.214198|2.717887|2.703769|3.164679|12.539884|14.444066|36.858105| |3.044750|3.988830|3.888387|3.966038|6.435774|3.758359|3.303588|3.550000|2.940438|2.462344|2.374352|2.665144|6.989267|12.114604|10.497656|388.023441| |2.697503|3.443029|3.482133|3.682657|4.980401|2.947368|2.646374|2.793039|2.416986|2.086670|2.021930|2.229126|4.650775|7.579536|7.017779|76.110890|36.858105| |2.899899|3.747583|3.796624|4.272804|5.093229|2.938314|2.609349|2.688425|2.327695|2.039875|2.002776|2.221141|4.497853|6.901140|6.999107|51.354750|14.871294|53.358707| |2.514043|3.096399|3.187291|3.555058|4.083888|2.450062|2.220097|2.278795|2.024809|1.805497|1.774194|1.939356|3.412462|5.389919|4.681279|34.499979|8.352247|18.842644|36.858105| |2.543706|3.067235|3.154926|3.661974|3.866674|2.331300|2.112254|2.130001|1.905480|1.726447|1.715062|1.874948|3.076898|4.794221|4.023620|26.920198|5.353261|10.804448|13.570681|36.858105| |2.187154|2.542479|2.627508|2.958486|3.217599|1.999681|1.839758|1.856975|1.690055|1.548224|1.536605|1.660127|2.519387|4.021190|3.123096|21.562715|4.068081|7.100834|7.929961|13.890810|36.858105| |1.928264|2.220926|2.302019|2.501799|2.881594|1.822382|1.695009|1.729525|1.588978|1.453878|1.431917|1.533267|2.284137|3.731854|2.787220|20.349499|3.875584|6.220344|6.821946|7.894872|13.594378|36.858105| |1.914640|2.230549|2.313087|2.466425|2.964694|1.875289|1.747191|1.803775|1.653962|1.498493|1.464435|1.566436|2.407486|3.984718|2.973986|23.010218|4.637936|7.030856|7.870915|6.849810|7.954638|13.884012|36.858105| |2.145170|2.567877|2.657036|2.840258|3.461396|2.146952|1.980949|2.057125|1.859235|1.662084|1.619864|1.747046|2.892895|4.754440|3.742789|30.172908|7.029482|10.749577|13.739314|7.924535|6.903852|7.941057|13.626746|36.858105| |2.049490|2.450588|2.527666|2.620151|3.422724|2.153386|2.001828|2.112167|1.912766|1.692952|1.633567|1.753785|2.938946|4.994122|3.740483|33.907528|7.969535|9.197122|7.749845|5.087599|4.506309|5.088175|7.657965|12.975604|36.858105| |1.820892|2.132340|2.200926|2.250257|2.986815|1.922691|1.809557|1.914916|1.759712|1.567766|1.507639|1.602788|2.526916|4.379355|3.070745|27.417363|5.457888|6.453432|5.343441|4.013936|3.819224|4.531445|6.720366|8.118059|15.887679|73.516695| |2.267551|2.774302|2.836940|2.915537|4.004212|2.486126|2.290722|2.442042|2.172651|1.890616|1.816786|1.967142|3.600662|6.187931|4.751005|50.583190|13.964051|11.015411|6.978823|4.608925|3.830350|3.958350|5.140641|7.891048|13.699082|14.948984|53.358707| |2.077064|2.488801|2.528357|2.532490|3.700785|2.381234|2.227840|2.410886|2.168374|1.878274|1.787295|1.917153|3.341627|6.087982|4.055127|45.344724|7.568186|6.967958|4.506515|3.383340|2.957444|3.091513|3.853661|5.032488|7.750788|12.482625|17.303187|36.858105| |1.941442|2.283874|2.249458|2.351923|3.427926|2.250538|2.077008|2.203104|1.980989|1.740246|1.675668|1.804722|3.064093|5.698590|3.593677|37.291087|5.651901|5.762546|3.820070|3.005317|2.678407|2.801348|3.407053|4.205601|5.831543|10.102185|10.296863|12.523821|36.858105| |1.766732|2.036737|2.009795|2.051956|3.084117|2.090185|1.964449|2.100843|1.919535|1.691743|1.618041|1.722944|2.708752|5.197409|2.990767|29.320501|4.019330|4.362072|2.930899|2.420748|2.204833|2.303752|2.717923|3.175195|4.101085|7.522707|6.647949|7.464241|12.215546|36.858105| |1.753916|2.019314|2.025623|1.996761|3.062735|2.091147|2.004467|2.184767|2.019252|1.765512|1.666455|1.756585|2.681268|5.190283|2.908439|28.545509|3.804527|4.134697|2.768790|2.300594|2.098760|2.189229|2.569636|2.986052|3.835133|7.074097|6.232128|7.142589|8.057252|15.428038|73.516695| |1.655640|1.882241|1.834306|1.908769|2.842423|1.951484|1.825418|1.924846|1.764587|1.574614|1.518769|1.617931|2.455118|4.711129|2.664299|24.651711|3.375440|3.823990|2.608887|2.209272|2.036290|2.124905|2.463489|2.802516|3.457079|6.370296|5.332856|5.215186|8.099207|15.506372|15.147032|73.516695| |17.634692|8.671417|6.950982|5.556348|9.347036|7.280390|6.956525|5.054877|4.167397|4.149170|5.011546|6.873881|4.619256|6.975555|3.765746|20.324149|2.498272|3.574559|2.290249|2.289821|1.993850|1.783816|1.783206|1.989889|1.926631|3.071669|2.905194|1.988294|1.855161|1.711570|3.049120|2.850144|0.500000| |17.565189|8.703222|5.530845|7.128624|9.289579|6.630695|5.065488|3.873958|3.192932|3.120435|3.642208|4.784021|4.668548|6.909441|3.929842|20.561913|2.559569|3.727642|2.388131|2.419510|2.094209|1.852077|1.837365|2.049753|1.962554|3.112577|2.948733|1.996855|1.899631|1.733788|3.034754|2.916317|0.299977|0.500000| |17.579584|8.906127|7.188781|7.225959|7.593320|4.931357|4.401891|3.659053|3.140770|3.074690|3.468781|4.220425|4.090136|5.986113|3.715945|19.670667|2.549102|3.799032|2.478914|2.570336|2.231146|1.948964|1.908217|2.111663|1.987751|3.146855|2.941944|1.962051|1.828331|1.659901|2.928645|2.768615|0.303568|0.302737|0.500000| |7.049800|8.791987|17.541895|6.965491|7.540767|4.322641|4.147631|3.946341|3.408206|3.122292|3.212881|3.659561|4.542043|6.428757|4.523623|23.689961|3.158088|4.812757|3.097126|3.187886|2.692474|2.327483|2.291173|2.580166|2.401900|3.739007|3.568871|2.317409|2.071574|1.851017|3.306109|3.021178|0.172435|0.143342|0.218784|0.500000| |5.523580|8.673424|17.609880|6.645013|9.330730|4.808015|4.551607|4.702639|3.851313|3.274349|3.217549|3.674002|6.360423|8.495332|6.686347|32.959094|4.185082|6.234096|3.719913|3.576562|2.909020|2.550894|2.598947|3.054007|2.910524|4.432621|4.516905|2.898042|2.508972|2.209039|3.974194|3.534567|0.141090|0.122301|0.144526|0.302767|0.500000| |7.069145|8.785638|17.584488|5.471515|9.411467|5.693266|6.156367|6.069765|4.972442|4.327179|4.351447|5.047169|5.391149|7.798028|4.689108|25.191792|3.099370|4.429971|2.776735|2.715720|2.317573|2.073395|2.098579|2.387240|2.316784|3.643655|3.539653|2.383177|2.124944|1.935211|3.507466|3.142720|0.210662|0.142248|0.177742|0.300945|0.302549|0.500000| |6.820467|8.766398|5.475306|17.559590|9.662469|5.131178|3.814081|3.313088|2.710271|2.500841|2.691698|3.284796|5.884040|7.923593|5.906231|27.255510|3.496070|5.387942|3.315563|3.381137|2.773966|2.374784|2.351094|2.695498|2.514211|3.865623|3.815393|2.469857|2.353939|2.060219|3.524937|3.446611|0.139790|0.204846|0.167815|0.140398|0.139145|0.122738|0.500000| |5.573834|8.597856|6.911684|17.668731|8.745421|4.364859|3.552565|3.319534|2.746230|2.469579|2.556894|3.004766|6.069902|7.851459|7.670455|32.600135|4.484844|7.562135|4.447720|4.581823|3.509547|2.901498|2.865838|3.379840|3.049270|4.548606|4.636546|2.851923|2.606453|2.221849|3.826125|3.639092|0.122545|0.141739|0.148853|0.179418|0.198427|0.139477|0.301307|0.500000| |7.554214|8.840083|6.665914|17.561382|7.551627|4.220318|3.505118|3.119910|2.643226|2.474808|2.648998|3.134828|4.544594|6.317097|4.739981|23.408916|3.187619|5.071649|3.274858|3.522830|2.922723|2.444822|2.357982|2.646894|2.404768|3.713750|3.543823|2.267344|2.110826|1.856415|3.218821|3.087499|0.148894|0.191254|0.234889|0.201341|0.158285|0.139612|0.301788|0.304952|0.500000| |5.042588|5.578400|4.350510|4.355440|12.616021|17.697088|8.965856|6.599240|4.580827|4.007552|4.396775|6.097000|7.949749|15.696667|4.908543|27.816892|2.969471|3.928951|2.399409|2.250023|1.936794|1.783648|1.852827|2.128045|2.167826|3.456420|3.442062|2.470711|2.376254|2.229057|3.948852|3.719163|0.144144|0.143468|0.109006|0.099088|0.113309|0.123708|0.127373|0.108539|0.100820|0.500000| |7.896268|6.963042|4.900947|5.070939|12.424057|17.672106|8.929292|5.582263|4.191209|3.991859|4.805287|7.389180|5.947573|9.578974|4.227131|22.884082|2.640584|3.650754|2.283819|2.216212|1.918908|1.740749|1.771395|2.002379|1.984687|3.166559|3.063066|2.143693|2.050817|1.907124|3.367101|3.201368|0.233393|0.244774|0.152183|0.114569|0.116416|0.139326|0.148289|0.115702|0.121463|0.305952|0.500000| |4.080903|4.877432|5.052825|3.666006|8.919412|6.926179|8.904783|17.755862|8.946335|5.645579|4.958871|5.662005|6.827981|13.381753|4.867259|30.904976|3.245923|4.152745|2.529026|2.314990|1.996177|1.864916|1.968045|2.279685|2.371822|3.791849|3.818816|2.785171|2.506069|2.373929|4.414723|3.812270|0.123254|0.101278|0.096040|0.109953|0.143726|0.162681|0.095280|0.098936|0.087990|0.182536|0.140079|0.500000| |3.072504|3.290021|3.627406|2.634077|5.071078|4.074662|5.633126|8.945348|17.711469|8.906067|5.656200|4.970851|3.654910|6.869960|3.060604|20.795972|2.421581|3.133980|2.014226|1.879497|1.675204|1.589530|1.666037|1.871784|1.945692|3.203057|3.008336|2.233379|2.018988|1.973877|3.744990|3.202664|0.096308|0.076853|0.076909|0.086981|0.100647|0.121434|0.068527|0.071162|0.067251|0.107385|0.096278|0.216561|0.500000| |2.931804|2.855260|3.039724|2.319163|4.166295|3.531650|4.918325|5.635204|8.895097|17.709251|8.910244|5.642407|2.812405|5.125291|2.388615|15.724935|1.908925|2.537977|1.671208|1.601970|1.450463|1.370429|1.411523|1.553231|1.584266|2.629341|2.386105|1.750613|1.623556|1.590202|2.963772|2.637441|0.095862|0.074586|0.074752|0.076719|0.079532|0.101273|0.061142|0.060911|0.061171|0.091132|0.090812|0.124190|0.214458|0.500000| |3.543624|3.141571|3.122155|2.528805|4.499887|4.091179|5.622148|4.954357|5.651358|8.913375|17.704037|8.913944|2.846852|5.063405|2.371290|14.932696|1.822242|2.469819|1.627366|1.585707|1.433427|1.337943|1.361603|1.492885|1.499742|2.474124|2.247179|1.623942|1.532574|1.484713|2.711144|2.493425|0.122574|0.092617|0.088902|0.079878|0.077659|0.101985|0.067894|0.064004|0.067538|0.102029|0.114492|0.107608|0.124131|0.214407|0.500000| |5.490535|4.455283|3.921424|3.411193|6.612566|7.039367|8.914147|5.655404|4.968856|5.654397|8.935421|17.686261|3.788858|6.543074|2.977329|17.645843|2.108645|2.890644|1.868324|1.825608|1.622317|1.492365|1.514272|1.679099|1.672724|2.719764|2.533773|1.804235|1.716560|1.634399|2.935598|2.750610|0.204448|0.150557|0.124119|0.097077|0.093439|0.123769|0.093927|0.082258|0.089025|0.159496|0.228676|0.124213|0.107786|0.124241|0.216162|0.500000| |4.375448|6.764321|6.849709|6.914696|9.332298|4.546050|3.875910|3.964656|3.199186|2.716411|2.684267|3.095264|8.751196|10.752195|17.784141|56.900677|6.907758|10.598329|5.189766|4.552905|3.442363|3.004209|3.161660|3.981644|3.822378|5.525968|6.366576|3.836023|3.286944|2.743660|4.807360|4.332729|0.107875|0.108819|0.111025|0.153851|0.260075|0.149368|0.159834|0.256822|0.146649|0.117617|0.109120|0.128923|0.085191|0.066700|0.065600|0.080604|0.500000| |4.104879|5.832881|4.822620|6.922412|8.961277|4.558127|3.579871|3.467195|2.799233|2.440758|2.476317|2.907088|8.932308|11.507415|17.647073|56.543959|6.502505|9.629539|4.845411|4.282492|3.284929|2.882757|3.032054|3.785517|3.669986|5.351878|6.124101|3.778875|3.515760|2.890079|4.866178|4.677869|0.099066|0.111071|0.101989|0.115016|0.149728|0.111839|0.196469|0.241309|0.141244|0.126000|0.113192|0.109745|0.073620|0.060072|0.061303|0.078097|0.305023|0.500000| |2.887509|3.518498|3.576349|4.426367|4.276739|2.531470|2.264878|2.249744|1.994847|1.814467|1.820091|2.009432|3.320751|5.037930|4.345398|26.729687|4.908956|9.950902|8.912310|17.730698|8.906752|5.610902|4.941114|5.652912|4.146970|5.970571|5.479055|3.070945|2.761881|2.264390|3.841799|3.698265|0.070805|0.076047|0.081946|0.102095|0.111294|0.083263|0.111107|0.159852|0.120121|0.066968|0.067374|0.067430|0.054068|0.046495|0.046711|0.054661|0.140092|0.131509|0.500000| |2.145090|2.444343|2.519131|2.863817|3.044165|1.908636|1.760064|1.761046|1.610905|1.490270|1.488037|1.605171|2.332140|3.718007|2.815837|18.940960|3.380342|5.739835|5.640306|8.985190|17.697056|8.874745|5.658749|4.966399|3.591728|5.600970|4.306819|2.540610|2.336949|1.966274|3.340439|3.262321|0.054199|0.057226|0.061612|0.073039|0.075908|0.061827|0.074660|0.092509|0.080687|0.051062|0.051428|0.052006|0.044168|0.038874|0.038780|0.043847|0.086073|0.082618|0.214808|0.500000| |1.760187|1.992459|2.063948|2.224669|2.583505|1.657002|1.551762|1.580578|1.464791|1.350245|1.331000|1.416976|2.025270|3.336688|2.410309|17.543865|3.190883|4.944986|4.925541|5.632934|8.853399|17.718009|8.944367|5.638547|4.127724|6.939209|4.485326|2.695526|2.486072|2.094664|3.551567|3.473411|0.045479|0.047127|0.049642|0.058331|0.062685|0.052166|0.058983|0.070254|0.061054|0.045072|0.044225|0.046988|0.040746|0.035537|0.034733|0.038418|0.071588|0.069090|0.123638|0.214228|0.500000| |1.743171|2.007159|2.080553|2.182519|2.696792|1.732132|1.627352|1.688030|1.561225|1.417615|1.380165|1.466336|2.188788|3.683231|2.640307|20.888390|4.025605|5.712952|5.639470|4.942857|5.632951|8.902818|17.748505|8.947207|7.131802|13.377111|6.416140|3.777182|3.389332|2.753606|4.636569|4.453519|0.045495|0.046605|0.048133|0.057062|0.064446|0.053165|0.058201|0.069161|0.058020|0.047811|0.045460|0.051066|0.043923|0.037286|0.035744|0.039335|0.076818|0.074138|0.107375|0.123873|0.213332|0.500000| |2.201468|2.659076|2.717656|2.631732|4.049412|2.613687|2.467354|2.725838|2.436400|2.073646|1.952576|2.093722|3.745054|7.018626|4.432657|53.896463|7.163312|6.603937|4.059871|3.139370|2.716598|2.768868|3.322953|4.244209|5.785678|9.227839|12.318396|17.699621|8.832100|6.871572|13.262798|8.602242|0.059046|0.058432|0.057177|0.067998|0.087137|0.071986|0.070939|0.081544|0.064810|0.075793|0.064280|0.089419|0.070287|0.053443|0.048854|0.054137|0.114702|0.109631|0.081364|0.065818|0.067577|0.089325|0.500000| |1.904282|2.247343|2.320186|2.275372|3.285778|2.142688|2.040205|2.218565|2.034517|1.774056|1.678478|1.778427|2.880236|5.223274|3.399716|34.481026|5.788445|5.906306|4.086178|3.150993|2.846157|3.061327|3.871051|4.813103|7.553847|14.430426|12.505597|17.737009|8.866320|6.771924|12.662117|8.599180|0.050960|0.050701|0.050414|0.059805|0.073497|0.061294|0.061253|0.070617|0.057481|0.061253|0.053966|0.070359|0.058761|0.046371|0.042592|0.046474|0.092103|0.088179|0.078629|0.068146|0.075199|0.109691|0.306069|0.500000| |1.818085|2.117061|2.086414|2.215032|3.112632|2.046139|1.888834|1.982817|1.796764|1.597056|1.546217|1.660895|2.714267|4.944044|3.192228|30.635729|5.035516|5.473185|3.853463|3.055774|2.788817|2.993200|3.709137|4.454289|6.222207|11.602719|9.334665|8.851257|17.551199|8.795016|10.967525|12.958144|0.048070|0.049577|0.048012|0.054114|0.064222|0.054514|0.061688|0.068311|0.055902|0.059494|0.052459|0.061759|0.050714|0.041577|0.039553|0.044190|0.082789|0.088860|0.076650|0.067283|0.074144|0.105046|0.173481|0.213460|0.500000| |2.082029|2.465448|2.371656|2.561536|3.760091|2.454124|2.216686|2.320947|2.053982|1.804295|1.753469|1.912002|3.424138|6.412876|4.044290|42.432126|5.963384|6.106266|3.881732|3.079375|2.691706|2.740799|3.246107|4.036614|5.167175|8.375928|9.374907|8.812727|17.521646|8.808713|11.093983|12.808336|0.054893|0.057062|0.054019|0.060225|0.073052|0.061807|0.072320|0.078823|0.063061|0.072838|0.062065|0.073480|0.057467|0.046400|0.044440|0.050737|0.098915|0.112650|0.080051|0.065597|0.067279|0.087321|0.208494|0.173456|0.303274|0.500000| 1782.534344 -10833.120611 4168.748224 -212.390991 -5094.229034 3309.874077 -1784.354956 2.001021 BD3A3FFFFFFFFFC0 44BF7407491E6D0B 4440D862294D5976 41AAB2A49FFFFFFC B7CA22391F5F0C00 4366702C4CE7ED5A