Version2.1 2021-01-14T07:28:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)CCCN2C(=O)CS[C@H]3N=C4C(=CN=N4)C(=O)N3c5ccc(c(c5)Cl)F C39367027 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)CCCN2C(=O)CS[C@H]3N=C4C(=CN=N4)C(=O)N3c5ccc(c(c5)Cl)F C01[X(C22H17Cl1F1N5O2S1)] 141 C1 522 O=C(N1CCCc2c1cccc2)CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccc(c(c1)Cl)F O=C(N1CCCc2c1cccc2)CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccc(c(c1)Cl)F Fc1ccc(cc1Cl)N2[C@@H](SCC(=O)N3CCCc4ccccc34)N=C5N=NC=C5C2=O InChIKey=LSLUXCWQCHGZFB-QFIPXVFZSA-N InChI=1S/C22H17ClFN5O2S/c23-16-10-14(7-8-17(16)24)29-21(31)15-11-25-27-20(15)26-22(29)32-12-19(30)28-9-3-5-13-4-1-2-6-18(13)28/h1-2,4,6-8,10-11,22H,3,5,9,12H2/t22-/m0/s1 InChI=1/C22H17ClFN5O2S/c23-16-10-14(7-8-17(16)24)29-21(31)15-11-25-27-20(15)26-22(29)32-12-19(30)28-9-3-5-13-4-1-2-6-18(13)28/h1-2,4,6-8,10-11,22H,3,5,9,12H2/t22-/m0/s1 c1ccc2c(c1)CCCN2C(=O)CS[C@H]3N=C4C(=CN=N4)C(=O)N3c5ccc(c(c5)Cl)F C01[X(C22H17Cl1F1N5O2S1)] 141 C01 522 O=C(N1CCCc2c1cccc2)CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccc(c(c1)Cl)F O=C(N1CCC[C]2[C]1[CH][CH][CH][CH]2)CS[C@H]1N=C2N=NC=C2C(=O)N1[C]1[CH][CH][C]([C]([CH]1)Cl)F F[C]1[CH][CH][C]([CH][C]1Cl)N2[C@@H](SCC(=O)N3CCC[C]4[CH][CH][CH][CH][C]34)N=C5N=NC=C5C2=O InChIKey=LSLUXCWQCHGZFB-QFIPXVFZSA-N InChI=1S/C22H17ClFN5O2S/c23-16-10-14(7-8-17(16)24)29-21(31)15-11-25-27-20(15)26-22(29)32-12-19(30)28-9-3-5-13-4-1-2-6-18(13)28/h1-2,4,6-8,10-11,22H,3,5,9,12H2/t22-/m0/s1 InChI=1/C22H17ClFN5O2S/c23-16-10-14(7-8-17(16)24)29-21(31)15-11-25-27-20(15)26-22(29)32-12-19(30)28-9-3-5-13-4-1-2-6-18(13)28/h1-2,4,6-8,10-11,22H,3,5,9,12H2/t22-/m0/s1 3467.1402518328 -2221.3223782 1-A 17338.8392 121 401 522 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.83892 -91.96633 -26.33320 -20.56481 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438.6664 450.0268 455.3680 492.7692 500.5522 504.0088 518.8717 551.9929 578.5769 582.5502 583.0299 619.3892 630.2918 638.6935 643.5446 662.5718 691.1644 701.8703 748.2171 767.2266 773.1386 783.6026 794.1790 797.6286 812.9233 842.8867 857.6011 861.8889 863.3904 914.6310 922.7261 938.7011 941.0253 949.7231 973.2946 976.6441 989.2771 1016.3436 1017.6515 1036.9679 1039.9298 1044.5085 1061.7432 1081.6980 1081.9403 1116.7662 1119.7595 1142.6590 1147.5985 1177.1403 1194.0407 1199.8431 1207.1908 1208.1458 1217.1209 1254.4111 1255.2076 1271.5582 1292.2817 1303.6321 1319.6440 1331.4066 1338.4876 1357.4516 1364.5179 1370.3287 1390.7324 1393.2686 1405.3855 1414.6149 1437.2302 1439.5128 1448.4673 1490.8896 1504.9590 1521.9490 1540.2705 1554.5691 1562.9616 1570.9800 1621.6631 1624.0828 1627.4896 1644.7365 1666.5060 1673.1734 1685.8861 1764.6703 1783.2468 1786.0813 1812.0069 1812.5303 1882.6156 1941.7801 1975.7869 1988.1261 3198.0106 3210.7594 3234.5350 3241.8916 3243.0248 3259.5343 3293.7523 3304.3070 3347.3321 3348.2399 3368.5273 3382.7443 3386.3375 3409.0188 3426.0855 3438.6492 3479.1628 8.4894 5.4419 6.2807 8.1055 7.3610 9.6418 9.0022 6.5502 6.8143 7.4569 4.9595 3.5275 2.9777 5.3011 4.2407 9.1742 7.5165 7.5142 6.1095 7.3184 10.0451 9.0464 4.7563 5.8743 9.7905 2.8648 10.8542 7.3480 3.1396 8.1625 6.2699 10.1806 2.8829 3.2124 3.7884 11.4993 9.9593 3.5233 5.9856 4.3201 5.1707 3.4382 5.8975 3.2676 3.2303 5.4437 8.4326 7.8785 5.4032 6.8659 4.5156 2.5956 6.0089 5.6255 2.0733 8.9102 2.2841 6.5571 5.4565 2.7103 1.6482 1.4723 2.5925 8.6898 1.4673 1.5671 6.1927 1.9193 2.8660 1.6277 2.5068 1.3445 1.3846 1.3458 2.0102 2.5934 3.8146 3.1269 6.8170 2.1283 2.5092 2.8398 2.6117 2.2752 6.3820 2.0072 1.4307 1.3429 1.1265 3.1827 1.6671 1.7010 2.5392 1.7584 1.7831 1.3523 1.2752 2.0349 2.6435 1.7665 1.4744 4.9522 1.3872 1.5216 1.4164 3.6822 2.5463 2.3757 1.1203 1.8958 1.2296 1.1194 1.1940 2.0494 3.3757 12.7294 6.3031 7.7356 6.3273 5.5636 8.4093 12.2583 12.7665 12.4026 1.0677 1.0672 1.0776 1.0932 1.0611 1.1019 1.0872 1.1050 1.0919 1.0891 1.0913 1.0919 1.0972 1.0959 1.0942 1.0943 1.1026 0.0006 0.0007 0.0012 0.0036 0.0067 0.0153 0.0202 0.0197 0.0256 0.0482 0.0409 0.0444 0.0404 0.0853 0.0762 0.2033 0.2097 0.2551 0.2194 0.2764 0.4411 0.4575 0.2935 0.3896 0.7188 0.2468 1.0050 0.8124 0.3559 0.9740 0.7660 1.4565 0.4256 0.4808 0.6009 2.0644 1.9643 0.7045 1.1988 0.9765 1.2103 0.8264 1.4390 0.8452 0.9092 1.5800 2.7814 2.7324 1.9029 2.4839 1.6780 0.9730 2.3396 2.3548 0.8984 3.8998 1.0032 3.2319 2.7372 1.4071 0.8599 0.7824 1.4469 4.8835 0.8461 0.9537 3.7786 1.2160 1.8261 1.0463 1.6650 0.9269 0.9549 0.9889 1.4850 1.9951 2.9599 2.5529 5.7264 1.8052 2.1545 2.4422 2.2795 2.1093 5.9243 1.9121 1.4078 1.3446 1.1558 3.3240 1.7597 1.8467 2.7855 1.9454 2.0319 1.5467 1.4840 2.3993 3.2172 2.1567 1.8226 6.4855 1.8511 2.0766 1.9799 5.2430 3.6648 3.4545 1.7358 2.9462 1.9188 1.7841 1.9538 3.3803 5.6528 23.3553 11.8094 14.5394 12.2402 10.7691 17.5604 27.2322 29.3631 28.8836 6.4335 6.4818 6.6427 6.7696 6.5754 6.8978 6.9495 7.1083 7.2081 7.1936 7.2956 7.3613 7.4132 7.5040 7.5673 7.6239 7.8639 0.3066 0.4998 1.0182 0.0419 0.2508 0.1133 0.0970 0.5650 2.5628 0.1158 4.4837 0.5446 4.4269 1.5775 1.9053 5.3768 1.2204 0.0877 18.5991 3.5548 0.0420 1.3318 4.4218 3.3782 15.3757 2.2467 5.5946 4.2649 1.2451 1.0169 2.0950 18.4583 3.4296 2.5387 2.3731 12.2505 7.8257 4.7472 2.4407 2.5411 6.9125 3.6018 8.7766 3.2268 28.8810 2.6616 1.2120 20.0237 1.2046 1.4366 3.2274 7.2407 18.6621 36.1081 38.3284 41.8656 16.2471 24.9807 21.8559 12.4292 16.1534 3.3747 4.0772 4.4513 0.7415 3.1986 26.7216 11.5579 9.6274 10.6858 21.7113 2.7538 2.3226 0.2173 3.9506 0.2651 34.4699 20.5482 11.3323 13.2119 3.5799 4.9650 30.3804 10.5070 55.9967 13.0270 41.9707 98.4659 8.2876 130.6587 34.1319 31.1328 38.7231 6.7253 105.0247 47.3926 35.9090 151.1691 50.8501 12.0992 20.2562 29.2200 1.3003 13.0179 28.2597 15.3603 365.0484 209.2101 33.2323 20.3886 0.9206 4.2697 34.3731 84.7676 291.5951 6.7121 12.4972 5.0117 8.2232 6.4404 61.1358 277.2548 274.6581 135.6583 27.5820 24.5198 19.5184 23.0997 17.0422 71.5236 1.8388 4.2152 46.7499 8.8577 16.2665 5.4795 36.9642 2.2555 1.2896 2.5075 0.7550 1.7596 3.2315 2.6858 3.9203 5.1231 1.4470 2.8327 1.1518 1.9761 2.0849 3.0084 0.5136 0.9741 1.9961 1.8981 2.0180 1.6772 1.3665 1.1550 2.2950 0.9270 1.0038 1.6516 0.4168 3.0053 0.6318 1.6794 4.0235 1.9840 10.0505 1.1569 3.1836 0.3004 0.1068 4.0468 4.3246 1.0280 0.1277 3.8291 1.8813 2.6056 4.5111 1.5947 1.5404 2.8008 2.7311 2.4630 12.2688 8.1488 4.5609 1.9381 1.5689 32.7125 22.6365 1.9085 10.4346 2.2332 12.9499 15.9874 2.6555 2.3426 3.0246 3.3249 9.4329 3.3459 3.1481 7.4989 2.1375 5.9771 5.6855 3.4716 0.3674 0.4342 0.2673 4.4157 24.7688 7.1481 0.9728 40.3277 4.5594 6.7687 5.7934 2.0109 5.3346 20.8978 0.5607 4.1328 0.8933 10.3535 7.6896 12.8070 2.8849 19.9620 5.5109 12.2728 7.2822 63.9007 0.7779 19.9346 2.0354 10.1505 11.4528 2.4225 3.7783 3.1720 1.4129 7.9931 13.5842 8.5014 2.2977 13.1332 8.9379 6.2654 2.1784 2.2056 252.0889 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0.15190 0.07822 0.06029 15.76 21.94 26.23 39.64 56.71 74.60 88.72 102.91 114.80 150.75 170.13 210.30 218.22 237.75 251.27 279.06 313.11 345.37 355.22 364.29 392.80 421.51 465.61 482.72 507.91 550.14 570.36 623.25 631.14 647.49 655.17 708.98 720.18 725.16 746.54 794.19 832.44 838.16 838.85 891.16 906.85 918.94 925.92 953.29 994.43 1009.83 1076.52 1103.87 1112.37 1127.43 1142.65 1147.61 1169.62 1212.73 1233.90 1240.07 1242.23 1315.95 1327.60 1350.58 1353.93 1366.44 1400.35 1405.17 1423.35 1462.29 1464.17 1491.97 1496.23 1502.81 1527.61 1556.32 1556.67 1606.78 1611.08 1644.03 1651.14 1693.64 1717.96 1726.31 1736.88 1738.25 1751.17 1804.82 1805.96 1829.49 1859.31 1875.64 1898.67 1915.60 1925.79 1953.07 1963.24 1971.60 2000.95 2004.60 2022.04 2035.32 2067.85 2071.14 2084.02 2145.06 2165.30 2189.75 2216.11 2236.68 2248.75 2260.29 2333.21 2336.69 2341.59 2366.41 2397.73 2407.32 2425.61 2538.97 2565.69 2569.77 2607.07 2607.83 2708.66 2793.79 2842.72 2860.47 4601.22 4619.57 4653.77 4664.36 4665.99 4689.74 4738.97 4754.16 4816.06 4817.37 4846.56 4867.01 4872.18 4904.82 4929.37 4947.45 5005.74 0.391935 0.417055 0.418000 0.331529 -2220.930443 -2220.905323 -2220.904379 -2220.990849 2.900218D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE c1ccc2c(c1)CCCN2C(=O)CS[C@H]3N=C4C(=CN=N4)C(=O)N3c5ccc(c(c5)Cl)F C39367027 RHF 6-31G(d) (6D,10F) C1 469.077553 |X|Y|Z| 69.930740 104.562712 38.925212 65.779714 28 6 7 16 22 5 1 |36.858105| |13.719662|36.858105| |7.945638|13.827650|36.858105| |6.856256|7.924529|13.664666|36.858105| |7.876496|6.833784|7.892505|13.695132|36.858105| |13.831015|7.979202|6.912485|7.960365|13.666841|36.858105| |5.025292|4.425071|4.978142|7.455963|12.540047|7.597606|36.858105| |3.835949|3.704991|4.447028|6.591057|7.476873|4.966590|12.455283|36.858105| |3.833315|3.990865|5.196231|7.855799|6.868176|4.605459|7.642290|12.504368|36.858105| |4.524859|5.124724|7.752440|13.303308|7.831787|5.146955|6.553635|7.828495|13.050510|53.358707| |3.765560|4.406068|6.374183|7.841298|5.327049|4.012175|4.669692|5.591308|7.647283|18.988367|36.858105| |3.840597|4.701360|6.724316|6.885500|4.781036|3.871296|3.994903|4.379480|5.306313|11.475967|15.918584|73.516695| |2.917722|3.270635|4.262686|5.005506|3.960678|3.126055|3.850552|4.944370|6.605147|10.512128|12.467146|14.349343|36.858105| |2.487865|2.814057|3.485754|3.706512|3.042255|2.564271|2.901092|3.431793|4.075516|6.476315|7.007076|12.177947|10.502074|388.023441| |2.063112|2.260707|2.689868|2.898964|2.515072|2.152605|2.509985|3.011733|3.460624|4.927162|4.560186|7.485069|6.811953|73.954062|36.858105| |1.912525|2.099542|2.456101|2.581211|2.255843|1.969487|2.227455|2.596537|2.927888|4.224970|3.845848|6.648638|5.142737|58.479080|17.635338|0.500000| |2.005859|2.197363|2.611505|2.810309|2.441759|2.092270|2.446968|2.939267|3.492943|4.795278|4.206843|6.676616|6.165201|50.622098|13.245954|0.260639|53.358707| 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|1.921126|2.021428|2.347358|2.641876|2.431378|2.071281|2.590702|3.235696|3.445579|4.429400|3.684405|5.781383|5.063748|35.541828|7.511329|0.161751|8.795472|7.549586|12.947142|7.359523|6.972340|6.987712|36.858105| |1.839355|1.905617|2.178431|2.461938|2.325985|1.998541|2.526802|3.132205|3.168317|4.019024|3.241166|5.156028|4.138541|28.457920|5.242116|0.123512|6.261909|5.242657|8.086884|6.168149|5.843948|5.544383|15.964500|73.516695| |1.978914|2.118432|2.480409|2.735834|2.454896|2.100119|2.530021|3.085596|3.356411|4.588094|4.056406|6.582244|5.735696|48.800131|12.923124|0.255871|10.468084|7.087834|8.092525|5.210169|5.781824|6.325563|13.873891|14.910539|53.358707| |1.895689|2.018429|2.322551|2.525110|2.296645|1.999141|2.350732|2.780691|2.907474|4.072331|3.582698|6.129859|4.553991|40.757477|7.720791|0.205305|6.927785|4.645712|5.170557|3.861467|4.417930|4.704496|7.922331|12.374628|18.095933|36.858105| |1.683806|1.790558|2.025045|2.155987|1.976793|1.755352|2.008605|2.314105|2.414597|3.382959|2.909164|5.092316|3.529207|31.755898|5.959558|0.186017|5.940622|3.973632|4.245103|3.355437|3.962286|4.218996|5.736626|9.481421|10.661053|13.759289|36.858105| |1.597936|1.689363|1.881639|1.983635|1.839629|1.657326|1.861594|2.099466|2.148922|3.034197|2.573091|4.606120|2.965360|25.949896|4.282500|0.131768|4.553544|3.088815|3.280287|2.730744|3.280445|3.444645|4.193512|7.410707|7.000664|7.939708|13.773663|36.858105| |1.676892|1.762227|1.953175|2.065795|1.931148|1.744292|1.955054|2.188053|2.194334|3.123580|2.642144|4.785941|2.953466|25.132623|3.802095|0.111251|4.069388|2.787034|2.992404|2.524678|3.025056|3.146286|3.824572|6.980471|6.195060|6.920563|7.999690|13.833073|36.858105| |1.884341|1.976116|2.213073|2.380389|2.223780|1.981348|2.264257|2.566715|2.540767|3.635469|3.109193|5.603589|3.470638|28.840551|4.144065|0.114561|4.336353|2.984459|3.261585|2.715816|3.208650|3.326679|4.295059|7.907756|6.987363|7.953123|6.883290|7.926292|13.777506|36.858105| |2.029511|2.143775|2.457424|2.696232|2.478434|2.154846|2.543177|2.989311|3.014501|4.284815|3.763795|6.555986|4.489005|37.585755|5.603988|0.145243|5.481664|3.756953|4.199471|3.324156|3.835288|4.006325|5.989407|10.556286|10.594005|13.762138|7.944396|6.870421|7.981851|13.789220|36.858105| |1.962923|2.026547|2.227114|2.393856|2.288991|2.070042|2.330059|2.564875|2.449750|3.529596|2.932803|5.375282|3.061925|23.798373|3.181893|0.086430|3.524741|2.464129|2.674192|2.314901|2.775125|2.844937|3.319399|6.217768|5.033286|4.770683|4.235350|4.771780|7.046735|11.009421|7.038120|448.794386| |1.566018|1.635765|1.784867|1.868395|1.765488|1.619354|1.780819|1.953684|1.940826|2.765166|2.297323|4.205349|2.489534|20.643148|3.027831|0.088639|3.384152|2.337496|2.483919|2.157931|2.625406|2.714074|3.038537|5.597037|4.710336|4.678316|5.318938|8.194970|14.439232|8.148650|5.305006|52.226748|97.533100| |17.719008|8.886002|5.647455|4.943461|5.619421|8.937185|4.106815|3.216086|3.169963|4.906037|3.116814|5.699585|2.508715|15.616935|1.853064|0.048171|2.455809|1.755079|1.726683|1.649069|2.215854|2.287458|1.736364|2.973804|2.429719|1.723724|1.548122|1.480718|1.554600|1.731526|1.841900|14.569490|3.296462|0.500000| |8.890766|17.721587|8.967965|5.644576|4.931987|5.661128|3.541032|3.080000|3.331131|5.662277|3.805161|7.438432|2.934061|18.707961|2.125962|0.055597|2.817770|1.960184|1.871982|1.757680|2.394149|2.534223|1.873175|3.135561|2.690643|1.896014|1.703424|1.616413|1.680636|1.862913|2.000081|15.303046|3.533709|0.213729|0.500000| |5.656354|8.959524|17.802377|8.917612|5.636561|4.979138|4.064031|3.901462|4.748400|9.698703|6.852301|14.031266|4.568971|27.588294|2.895325|0.073911|3.833373|2.603890|2.423912|2.221177|3.035595|3.293649|2.406751|3.912049|3.528375|2.415370|2.114228|1.953902|2.010113|2.260187|2.519975|17.928537|4.115433|0.124259|0.216562|0.500000| |8.952214|5.661793|4.970559|5.661350|8.937428|17.692647|7.135121|4.568364|4.004558|5.685425|3.368477|5.750826|2.751019|16.283140|1.970803|0.050287|2.611476|1.909918|1.929861|1.860666|2.456806|2.486965|1.944214|3.376778|2.653264|1.866723|1.649534|1.566550|1.652403|1.869791|2.015028|15.823328|3.474565|0.215744|0.124288|0.107935|0.500000| |4.676279|4.036061|4.354904|5.939896|8.969261|6.844668|17.520549|8.876813|6.493931|7.215888|3.904049|6.009482|3.354742|18.352711|2.289263|0.056800|3.099852|2.345436|2.420949|2.382760|3.119071|3.087907|2.380136|4.135112|3.128364|2.124461|1.840853|1.707186|1.776733|2.026041|2.259416|16.607295|3.662201|0.109970|0.091727|0.100650|0.194721|0.500000| |4.665594|3.980003|4.254783|5.778354|8.885721|6.917816|17.554407|8.821052|5.584367|6.957898|4.024031|6.390493|3.405817|19.066666|2.345582|0.058399|3.065259|2.290461|2.407280|2.312704|2.945360|2.926304|2.466123|4.360390|3.276908|2.286853|1.963157|1.842978|1.959707|2.280056|2.518095|19.328128|4.050263|0.110312|0.090559|0.098317|0.202400|0.304487|0.500000| |3.261232|3.117372|3.601699|4.880338|5.525912|4.114135|8.815546|17.549564|8.825131|7.672106|4.415514|6.347945|4.243114|21.794582|2.830429|0.067996|3.828918|3.010097|3.277518|3.242443|4.043151|3.889430|3.213892|5.641222|4.023386|2.647853|2.225617|2.016979|2.086703|2.420251|2.804909|19.284122|4.204569|0.078418|0.073893|0.089977|0.110409|0.225268|0.201276|0.500000| |3.570951|3.497028|4.187590|5.931418|6.335939|4.468182|8.799134|17.537045|8.922889|9.786713|5.883737|8.319791|5.314227|26.540299|3.246194|0.077348|4.150683|3.137483|3.406924|3.155646|3.856794|3.837174|3.564931|6.222316|4.661359|3.139967|2.556918|2.323619|2.459674|2.961585|3.492175|24.026448|4.899600|0.084111|0.081883|0.104283|0.114632|0.175250|0.222023|0.302540|0.500000| |3.889992|4.012843|5.065462|7.140120|6.557802|4.637108|7.037558|8.829911|17.560136|12.512313|5.871674|7.912522|5.168227|24.828906|3.044503|0.072988|4.319573|3.287829|3.237691|3.157456|4.289161|4.372745|3.003443|4.930683|3.963482|2.535784|2.158936|1.933919|1.959544|2.225384|2.588309|17.263449|3.942653|0.089887|0.093446|0.127731|0.112782|0.191871|0.140820|0.209050|0.174032|0.500000| |3.174886|3.345223|4.246534|5.687850|4.974155|3.661131|5.534023|8.811851|17.690316|12.372821|7.276230|8.883610|7.969830|32.323481|4.038207|0.091873|5.692228|4.446376|4.505823|4.208541|5.444130|5.569971|4.135867|6.569980|5.340839|3.247046|2.656253|2.312326|2.326498|2.688698|3.275587|20.179625|4.566510|0.075038|0.080362|0.114119|0.090927|0.137386|0.124021|0.214145|0.211394|0.304500|0.500000| |2.782283|3.114487|4.015155|4.640079|3.719669|2.968973|3.648209|4.657804|6.674656|9.525446|8.858689|11.012358|17.616789|56.256300|6.382287|0.135116|9.448012|6.410728|5.389668|4.479413|6.085566|7.156430|4.832802|6.928277|7.031034|3.973227|3.213751|2.692067|2.624736|2.985298|3.750690|21.168351|5.040938|0.066852|0.078212|0.120323|0.072999|0.091533|0.088087|0.115430|0.129845|0.155663|0.243364|0.500000| |2.782792|3.008592|3.786282|4.615270|3.909740|3.064864|4.054398|5.571830|6.787991|9.298695|8.840315|11.114270|17.587219|56.255114|6.522059|0.134909|7.754386|5.560132|5.774706|4.548115|5.444817|5.856462|6.151574|9.019092|8.844759|5.058223|3.744454|3.123677|3.147950|3.805709|5.130932|26.833982|5.900032|0.066919|0.074483|0.107534|0.076420|0.097030|0.101307|0.135153|0.177833|0.140962|0.242023|0.301117|0.500000| |1.738652|1.790713|2.034549|2.299319|2.195874|1.894684|2.421103|2.995422|3.167360|3.739877|2.811174|4.349460|3.487541|21.901186|3.829027|0.091612|5.828979|5.850007|8.728833|17.819174|11.894206|8.140300|6.145294|10.561911|5.954006|3.468358|3.060207|2.558585|2.395614|2.573523|3.081884|17.933047|4.663873|0.044088|0.046092|0.056892|0.050368|0.065030|0.063266|0.089449|0.084746|0.082213|0.106012|0.103875|0.109721|0.500000| |1.597292|1.701757|1.921186|2.034137|1.862717|1.659394|1.890906|2.174058|2.298267|3.192320|2.717548|4.721817|3.320571|29.636701|5.983057|0.198183|6.341975|4.238852|4.396086|3.496944|4.198018|4.517469|5.559671|8.855165|9.814213|8.925536|17.727035|8.932041|5.675628|4.958228|5.651265|27.444288|9.625816|0.040893|0.045157|0.055971|0.043350|0.048624|0.050987|0.058541|0.065593|0.057820|0.070700|0.086846|0.096084|0.087566|0.500000| |1.473247|1.555335|1.716640|1.793379|1.670378|1.519525|1.685642|1.879767|1.925927|2.712373|2.270938|4.080653|2.578921|22.255479|3.646423|0.113987|4.063566|2.772046|2.898936|2.475796|3.025285|3.170692|3.537849|6.264593|5.661154|5.632385|8.858283|17.750331|8.996937|5.659778|4.953608|31.724361|16.817830|0.038157|0.041607|0.049562|0.040041|0.043290|0.046380|0.050427|0.057098|0.048722|0.057271|0.066236|0.074453|0.064887|0.213155|0.500000| |2.255250|2.372614|2.754165|3.102266|2.852450|2.430695|2.958564|3.560156|3.528021|5.018320|4.431574|7.527886|5.248613|39.728450|5.380695|0.130950|5.445835|3.799801|4.294707|3.425998|3.934330|4.080247|5.961691|10.526176|9.692757|8.914187|5.650167|4.955567|5.675331|8.963803|17.780120|53.798060|9.614031|0.056264|0.060610|0.077486|0.062850|0.071624|0.081475|0.091249|0.120091|0.081874|0.106197|0.116638|0.177492|0.088511|0.124231|0.107619|0.500000| 2219.200259 -12165.705905 4490.863376 -232.820676 -5688.462945 3467.140501 -2221.322444 2.000956 40B3B00000000025 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