Version2.0 2020-04-08T01:00:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C)c1ccc(cc1)[C@@H](CNC(=O)C(=O)N(C)CCc2ccncc2)S(=O)(=O)c3ccc(cc3)Cl C09081011 RHF 6-31G(d) (6D,7F) CN(C)c1ccc(cc1)[C@@H](CNC(=O)C(=O)N(C)CCc2ccncc2)S(=O)(=O)c3ccc(cc3)Cl C01[X(C26H29Cl1N4O4S1)] 189 C1 606 Clc1ccc(cc1)S(=O)(=O)[C@@H](c1ccc(cc1)N(C)C)CNC(=O)C(=O)N(CCc1ccncc1)C Clc1ccc(cc1)S(=O)(=O)[C@@H](c1ccc(cc1)N(C)C)CNC(=O)C(=O)N(CCc1ccncc1)C CN(C)c1ccc(cc1)[C@@H](CNC(=O)C(=O)N(C)CCc2ccncc2)[S](=O)(=O)c3ccc(Cl)cc3 InChIKey=ZXBAVNOPRSNSEQ-XMMPIXPASA-N InChI=1S/C26H29ClN4O4S/c1-30(2)22-8-4-20(5-9-22)24(36(34,35)23-10-6-21(27)7-11-23)18-29-25(32)26(33)31(3)17-14-19-12-15-28-16-13-19/h4-13,15-16,24H,14,17-18H2,1-3H3,(H,29,32)/t24-/m1/s1 InChI=1/C26H29ClN4O4S/c1-30(2)22-8-4-20(5-9-22)24(36(34,35)23-10-6-21(27)7-11-23)18-29-25(32)26(33)31(3)17-14-19-12-15-28-16-13-19/h4-13,15-16,24H,14,17-18H2,1-3H3,(H,29,32)/t24-/m1/s1/f/h29H CN(C)c1ccc(cc1)[C@@H](CNC(=O)C(=O)N(C)CCc2ccncc2)S(=O)(=O)c3ccc(cc3)Cl C01[X(C26H29Cl1N4O4S1)] 189 C01 606 Clc1ccc(cc1)S(=O)(=O)[C@@H](c1ccc(cc1)N(C)C)CNC(=O)C(=O)N(CCc1ccncc1)C Clc1ccc(cc1)S([C@@H](c1ccc(cc1)N(C)C)CNC(=O)C(=O)N(CCc1ccncc1)C)(O)O CN(C)c1ccc(cc1)[C@@H](CNC(=O)C(=O)N(C)CCc2ccncc2)[S](O)(O)c3ccc(Cl)cc3 InChIKey=GXPADNFVAJJULZ-XMMPIXPASA-N InChI=1S/C26H31ClN4O4S/c1-30(2)22-8-4-20(5-9-22)24(36(34,35)23-10-6-21(27)7-11-23)18-29-25(32)26(33)31(3)17-14-19-12-15-28-16-13-19/h4-13,15-16,24,34-35H,14,17-18H2,1-3H3,(H,29,32)/t24-/m1/s1 InChI=1/C26H31ClN4O4S/c1-30(2)22-8-4-20(5-9-22)24(36(34,35)23-10-6-21(27)7-11-23)18-29-25(32)26(33)31(3)17-14-19-12-15-28-16-13-19/h4-13,15-16,24,34-35H,14,17-18H2,1-3H3,(H,29,32)/t24-/m1/s1/f/h29H 4058.4030111265 -2375.6452284 1-A 32733.8819 139 467 606 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909.8170 916.6437 920.0673 925.8654 932.9991 948.2301 950.2281 953.7825 984.0255 1040.8935 1044.9857 1078.9068 1093.4317 1093.6435 1094.5653 1102.6333 1104.2688 1110.9784 1114.2568 1118.2067 1120.1175 1128.7431 1134.5370 1146.8337 1176.0936 1179.4662 1184.1963 1184.4450 1195.2282 1196.7942 1202.2644 1221.1826 1235.6812 1242.7171 1248.1497 1252.8881 1255.2186 1269.3249 1279.5303 1288.4243 1300.3615 1306.2735 1316.8842 1322.7688 1330.8968 1345.1839 1351.7369 1362.9564 1389.1306 1400.4211 1406.6915 1424.6896 1428.5900 1446.9863 1448.3687 1452.0970 1474.0392 1493.9590 1494.8400 1499.1986 1548.7436 1552.0427 1554.1123 1577.7517 1589.5695 1592.9829 1608.5551 1629.2160 1635.0193 1639.6948 1640.0601 1647.4924 1647.5618 1654.6219 1658.7897 1659.9996 1664.6486 1673.4995 1681.6581 1682.3648 1702.7968 1743.4298 1756.2965 1764.0207 1772.7491 1789.3596 1815.2683 1816.7311 1905.1240 1958.5898 3174.0770 3182.3968 3222.2715 3227.1955 3233.3282 3249.3070 3254.7099 3259.2300 3262.6050 3281.5438 3292.5325 3306.1196 3323.9681 3326.9451 3337.4840 3356.5062 3361.9641 3372.8613 3377.0623 3377.6011 3379.1233 3383.7128 3403.7492 3405.4314 3419.2149 3419.5385 3420.4627 3424.8667 3841.2842 8.5156 5.0580 7.1726 5.3059 5.3498 3.8018 3.6550 6.0031 4.0879 6.0372 3.4165 6.2742 3.5992 4.2520 4.0133 4.1470 2.9349 2.0225 2.4955 4.4052 9.4958 3.5138 3.5656 1.8260 2.9640 2.1627 4.2306 3.9658 4.0721 7.5312 4.0496 5.9776 3.5184 4.5213 4.3348 2.4404 4.2982 4.8663 3.6717 2.7096 4.9840 2.9905 3.0228 4.3645 4.7648 5.2880 4.8435 4.1177 5.5060 3.8843 3.7271 3.3563 3.7152 4.4647 5.2411 4.2175 7.0940 5.0225 6.7891 6.8826 2.9944 2.9115 1.8567 3.6291 4.8067 4.0624 3.1910 1.2861 4.3021 2.9330 2.1373 1.2997 7.3250 2.8378 2.0857 1.4017 1.3505 3.0330 1.2476 3.2561 2.8484 1.4190 1.3651 7.0959 1.4522 1.5770 2.2880 3.2308 2.0992 1.4380 3.1718 1.4589 2.1395 4.1398 1.5557 2.1386 6.3589 2.0143 2.0271 2.6988 3.6340 1.9977 1.9024 3.1857 1.4191 1.3931 1.3089 2.2958 2.5010 3.4215 1.9654 1.1801 1.8463 1.5617 2.5218 1.4362 1.2621 1.2806 2.1787 2.0810 1.9392 5.4234 2.1695 1.4050 1.3072 1.2530 1.4339 1.3909 1.2751 3.1820 2.4062 1.5156 1.3878 2.0211 1.6415 1.8587 1.5895 1.1569 1.0774 1.2010 1.0483 1.0621 1.0872 1.0905 1.3083 1.5879 1.0625 1.3735 2.2459 1.0592 2.2631 2.3544 5.6498 6.5009 6.6552 5.1847 5.2510 5.0294 10.2391 10.6538 1.0507 1.0544 1.0656 1.0727 1.0424 1.0676 1.0849 1.0879 1.0900 1.0973 1.1064 1.1015 1.0977 1.1016 1.0943 1.0886 1.0893 1.0905 1.0962 1.0991 1.0914 1.0976 1.0912 1.0918 1.0922 1.0960 1.0924 1.0959 1.0789 0.0005 0.0004 0.0009 0.0011 0.0020 0.0023 0.0024 0.0060 0.0053 0.0121 0.0081 0.0202 0.0128 0.0178 0.0237 0.0301 0.0248 0.0203 0.0317 0.0624 0.1514 0.0592 0.0678 0.0498 0.0865 0.0734 0.1723 0.1670 0.1799 0.3609 0.2329 0.3780 0.2299 0.3084 0.3189 0.1943 0.3809 0.5097 0.4088 0.3114 0.6036 0.3688 0.3832 0.5753 0.6667 0.7655 0.7392 0.6484 0.9243 0.7060 0.7353 0.6815 0.7985 1.0114 1.2675 1.0509 1.9798 1.4593 1.9781 2.2052 0.9691 1.0052 0.6652 1.3481 1.8376 1.5884 1.2808 0.5328 1.8179 1.3763 1.0424 0.6434 3.6534 1.4333 1.0697 0.7426 0.7185 1.6256 0.7118 2.0785 1.8326 0.9732 0.9616 5.0004 1.0251 1.1296 1.6438 2.3495 1.5356 1.0593 2.3447 1.0951 1.6226 3.2080 1.2679 1.7528 5.2539 1.6649 1.7062 2.2775 3.0949 1.7552 1.7115 2.8987 1.3025 1.2884 1.2150 2.1793 2.4125 3.3465 1.9581 1.1864 1.8865 1.6100 2.6318 1.5312 1.3587 1.4016 2.4771 2.4046 2.2609 6.4857 2.6087 1.7332 1.6157 1.5567 1.8356 1.8290 1.6787 4.2137 3.4005 2.1511 1.9748 2.9643 2.4437 2.7789 2.4231 1.8093 1.6970 1.9025 1.6614 1.6985 1.7388 1.7591 2.1210 2.5781 1.7347 2.2664 3.7422 1.7663 3.8662 4.2163 10.2678 11.9188 12.3228 9.7807 10.1947 9.7802 21.8957 24.0792 6.2366 6.2917 6.5189 6.5825 6.4210 6.6411 6.7710 6.8085 6.8360 6.9619 7.0670 7.0938 7.1460 7.1839 7.1818 7.2260 7.2542 7.3090 7.3659 7.3874 7.3426 7.4043 7.4484 7.4599 7.5233 7.5508 7.5304 7.5738 9.3797 0.2142 0.4561 0.0914 0.1614 0.4124 1.3765 0.2020 0.7695 0.3273 4.2703 2.3526 1.1991 1.2010 3.8984 0.6111 8.4438 3.0876 0.1858 4.5631 0.3454 5.2227 3.7486 3.0493 0.1518 0.7100 3.6449 7.9393 4.8657 0.1880 5.3639 5.1005 5.1579 5.5043 7.3518 8.6201 1.9046 9.0909 10.2040 35.7241 1.4474 1.0542 0.2761 0.1144 6.4286 44.2623 14.6332 26.1774 7.9174 9.3851 13.8023 21.4391 7.1158 69.1378 58.9657 34.5462 58.3864 1.0509 7.6375 2.6392 0.4763 38.1268 47.1663 43.5957 30.8320 14.9168 21.7837 3.7513 1.2318 114.2991 20.2928 25.0839 5.8463 0.6247 42.3740 37.9065 13.3557 15.9430 61.0543 0.2968 28.0636 2.5136 2.8129 0.9535 5.9441 0.3127 2.0160 2.9572 15.0042 25.5745 2.0901 9.3576 0.4801 33.8719 9.9315 24.3181 3.8800 93.0769 2.0401 5.2661 41.9562 140.4960 51.1193 17.9125 92.2471 9.1652 59.1941 5.5594 14.2746 134.5644 17.5589 45.1883 7.6133 77.3379 5.1170 4.6575 25.4460 6.7158 142.5815 112.6453 43.0060 25.5608 226.9439 62.6114 16.5651 4.6410 91.8222 25.6066 11.4340 7.1392 236.8427 20.3741 7.1405 36.0302 19.9735 13.3246 212.9659 2.6783 24.7043 7.9179 38.7202 1.9035 5.9123 18.7685 6.9241 25.1503 29.5887 3.3702 296.2837 4.1159 39.1790 226.8741 317.1430 10.1516 4.0775 37.3779 81.3035 112.9806 153.6650 516.2848 198.7183 62.4922 68.1995 20.7676 36.9872 34.1688 41.9056 4.7725 17.6504 68.8720 14.5700 37.4084 3.9996 75.0645 10.4793 3.9536 15.8547 21.2337 17.2450 47.9260 14.6797 6.8572 9.1870 0.6848 1.1095 13.2870 0.9469 11.7436 0.5211 120.2042 0.5364 2.6539 0.2437 5.2094 3.0997 1.5041 2.7044 1.6831 3.1452 2.9516 1.9560 1.1172 3.0247 2.6183 1.6727 0.5837 0.9945 1.1992 0.3967 0.3322 0.3743 0.4986 2.2934 1.1356 2.4031 2.7903 1.4376 2.6052 3.5646 3.0928 0.3805 1.2711 2.1993 1.4108 1.1620 0.1257 0.9694 0.6786 0.3656 0.0445 1.8143 0.0245 0.0719 0.4216 1.0814 1.1303 0.9173 1.0087 1.5101 0.6628 4.2844 2.7287 1.6804 0.9710 1.6111 0.6449 6.6370 0.5891 5.3127 6.1907 13.8337 2.6447 10.0256 1.1186 25.3697 2.8577 3.2808 0.8570 9.7910 3.9659 9.7741 1.5763 2.3496 7.9376 3.1574 0.6682 0.6066 16.7200 1.9570 3.2495 2.2121 0.8698 0.3360 26.8682 0.6661 1.0653 2.0264 0.7324 1.1766 0.4411 15.3303 1.4683 6.2129 6.4559 0.8180 5.5811 6.5486 4.2630 1.3906 8.7876 26.2013 1.7738 4.5318 15.7759 2.9872 11.6935 3.6764 5.2267 11.7039 0.7111 21.8238 3.4205 1.3487 28.5705 9.7602 1.2062 7.5345 4.4014 5.1304 11.9481 13.4955 5.9702 4.0404 5.5301 0.6708 18.1036 15.2000 3.7227 2.0846 41.4635 0.3672 4.4006 12.6162 0.6605 7.8308 14.3621 6.2512 18.9898 4.8801 13.4448 6.6680 27.6680 25.5029 15.7687 9.0360 5.6860 7.2898 8.8035 0.6210 15.5351 8.3582 0.9992 1.2362 3.6844 6.0292 52.9316 26.5839 203.6836 6.8121 19.2011 22.6802 145.6917 42.9244 98.4077 86.9254 126.3478 52.4602 70.6708 52.4490 29.6819 74.0789 4.1828 215.8251 17.9803 29.4927 82.1671 65.9548 39.7015 69.8316 56.0161 47.9092 194.4357 41.7709 57.5093 43.2026 86.3598 133.7220 68.3521 36.3915 0.7408 0.7491 0.7487 0.7391 0.7416 0.7440 0.7452 0.6407 0.7487 0.7391 0.7499 0.7229 0.7141 0.6225 0.7099 0.7408 0.6427 0.6960 0.4282 0.2676 0.7481 0.3869 0.3470 0.5956 0.1398 0.5705 0.5041 0.6215 0.2183 0.7271 0.6261 0.6708 0.1546 0.5864 0.3893 0.4742 0.7428 0.2824 0.2800 0.5481 0.6222 0.2688 0.2876 0.7453 0.4487 0.1740 0.7494 0.7457 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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 1.00783 11909.6590 50885.1815 57919.2430 0.99993 0.01189 -0.00147 -0.01188 0.99992 0.00351 0.00151 -0.00349 0.99999 1 0.00727 0.00170 0.00150 0.15154 0.03547 0.03116 13.96 16.62 21.27 26.59 36.01 46.17 47.82 59.19 67.45 83.81 91.38 106.48 111.77 121.45 143.93 159.58 172.29 187.85 211.15 223.09 236.70 243.29 258.51 309.52 320.25 345.36 378.24 384.66 393.96 410.30 449.51 471.33 479.13 489.51 508.43 528.90 557.97 606.62 625.45 635.40 652.33 658.30 667.38 680.56 701.13 713.18 732.28 743.79 767.98 799.10 832.58 844.65 869.01 892.15 921.77 935.67 990.24 1010.36 1011.77 1061.00 1066.32 1101.39 1121.92 1142.42 1158.97 1172.09 1187.53 1206.50 1218.45 1284.02 1309.02 1318.85 1323.77 1332.11 1342.38 1364.29 1367.17 1372.28 1415.79 1497.61 1503.50 1552.31 1573.20 1573.51 1574.84 1586.44 1588.80 1598.45 1603.17 1608.85 1611.60 1624.01 1632.35 1650.04 1692.14 1696.99 1703.79 1704.15 1719.67 1721.92 1729.79 1757.01 1777.87 1787.99 1795.81 1802.63 1805.98 1826.28 1840.96 1853.76 1870.93 1879.44 1894.70 1903.17 1914.86 1935.42 1944.85 1960.99 1998.65 2014.89 2023.92 2049.81 2055.42 2081.89 2083.88 2089.24 2120.81 2149.47 2150.74 2157.01 2228.30 2233.04 2236.02 2270.03 2287.04 2291.95 2314.35 2344.08 2352.43 2359.16 2359.68 2370.37 2370.47 2380.63 2386.63 2388.37 2395.06 2407.79 2419.53 2420.55 2449.94 2508.41 2526.92 2538.03 2550.59 2574.49 2611.77 2613.87 2741.05 2817.97 4566.79 4578.76 4636.13 4643.21 4652.04 4675.03 4682.80 4689.30 4694.16 4721.41 4737.22 4756.77 4782.45 4786.73 4801.90 4829.26 4837.12 4852.80 4858.84 4859.61 4861.80 4868.41 4897.24 4899.66 4919.49 4919.95 4921.28 4927.62 5526.75 0.562552 0.595721 0.596665 0.489474 -2375.082676 -2375.049508 -2375.048563 -2375.155754 3.595204D-04 MUNgauss RevisionA2.0 retrievium 08-Apr-2020 DUDE CN(C)c1ccc(cc1)[C@@H](CNC(=O)C(=O)N(C)CCc2ccncc2)S(=O)(=O)c3ccc(cc3)Cl C09081011 RHF 6-31G(d) (6D,10F) C1 528.159805 |X|Y|Z| 161.365982 72.109454 38.666024 76.626309 27 6 7 16 23 3 1 |36.858105| |13.161859|53.358707| |7.703237|17.921030|36.858105| |7.810026|18.751261|7.811235|36.858105| |6.723573|10.667372|5.102343|13.579798|36.858105| |4.525133|7.024897|3.922383|7.862241|13.813412|36.858105| |3.744033|6.140261|3.743611|6.707150|7.867034|13.702300|36.858105| |3.922421|7.021610|4.523521|7.859875|6.925241|8.040564|13.717596|36.858105| |5.105087|10.669680|6.726355|13.597066|7.974035|6.926757|7.866552|13.789688|36.858105| |2.904286|4.519961|2.897771|4.375077|5.012506|7.566650|12.579907|7.468121|4.981229|36.858105| |2.795389|4.214043|2.664331|3.968235|4.779742|7.253579|8.943724|5.645448|4.215517|17.563161|0.500000| |2.521264|3.966458|2.657201|3.665936|3.859416|5.018860|7.420311|6.361488|4.383215|12.389210|0.247835|36.858105| |2.158530|3.290604|2.221022|2.917285|3.117036|3.916438|4.996870|4.309003|3.305387|7.668221|0.206417|13.197088|53.358707| |1.986973|3.013109|2.054842|2.605530|2.740726|3.297285|3.986576|3.617034|2.917638|5.260560|0.148967|7.841134|19.369696|36.858105| |2.027293|3.103976|2.129610|2.665228|2.748450|3.223063|3.867057|3.657614|3.005877|4.678918|0.130338|6.788402|11.478463|15.858658|73.516695| |1.733146|2.575783|1.768355|2.177146|2.299803|2.707399|3.117379|2.839009|2.379305|3.970731|0.115615|5.059784|10.855123|12.368363|14.056924|36.858105| |1.662296|2.458980|1.695995|2.072629|2.189072|2.574250|2.960596|2.698351|2.264152|3.805258|0.108715|4.682459|9.721787|8.090059|9.960418|15.796441|73.516695| |1.618000|2.382599|1.639017|1.982306|2.090105|2.408166|2.686361|2.473250|2.132514|3.248767|0.096093|3.910786|7.261084|7.668271|11.715037|14.208345|15.095187|53.358707| |1.654472|2.434046|1.669057|2.012498|2.118543|2.410125|2.644099|2.449961|2.145765|3.079292|0.092041|3.633630|6.207255|6.436436|11.967721|7.631263|9.406395|17.786933|36.858105| |1.447363|2.109747|1.461307|1.732120|1.821085|2.067159|2.266573|2.104931|1.846865|2.685239|0.078778|3.102633|5.447040|4.997474|7.875442|7.979496|12.612001|17.775822|7.668380|36.858105| |1.412406|2.033962|1.398698|1.665539|1.775422|2.018406|2.167456|1.979385|1.748346|2.566121|0.076925|2.824806|4.867308|4.114907|6.399201|5.940684|10.390776|10.406751|5.691701|12.408980|36.858105| |1.272506|1.821831|1.262188|1.475381|1.561841|1.749496|1.862691|1.723268|1.542822|2.158455|0.063721|2.342498|3.872219|3.163803|5.069206|4.207237|7.757331|6.787658|4.100956|7.568763|12.608869|36.858105| |1.224885|1.753332|1.220656|1.417816|1.495081|1.671433|1.786014|1.660814|1.487244|2.070384|0.060312|2.239432|3.668816|2.907605|4.614300|3.794013|7.477854|5.626190|3.355758|5.769743|7.540238|13.713539|36.858105| |1.125110|1.603516|1.121807|1.285746|1.349313|1.491709|1.582198|1.484088|1.343483|1.802469|0.052153|1.930835|3.075861|2.411678|3.914152|2.994398|5.785792|4.402042|2.768068|4.225315|5.030322|7.970736|13.770105|36.858105| |1.074399|1.526096|1.068446|1.216696|1.275132|1.399435|1.473242|1.386498|1.265143|1.657692|0.048078|1.767301|2.777328|2.192687|3.628494|2.661293|4.966192|4.003343|2.625788|3.769341|4.422957|6.811992|7.982550|14.414720|53.358707| |1.104903|1.568997|1.094966|1.251283|1.314446|1.442989|1.514393|1.421331|1.297806|1.701284|0.049721|1.816152|2.862472|2.295205|3.832474|2.793416|5.055999|4.359615|2.930528|4.163035|5.022414|7.968200|7.071391|8.451144|19.644246|36.858105| |1.197767|1.706457|1.184739|1.369930|1.445940|1.600698|1.685898|1.570373|1.423217|1.914504|0.056474|2.058290|3.307115|2.701499|4.476640|3.392514|6.021175|5.536227|3.676859|5.609859|7.518705|13.725789|8.044102|7.075074|10.870068|13.759308|36.858105| |2.595932|3.897255|2.559360|3.581753|4.052492|5.477329|6.879902|5.188131|3.927780|10.480819|0.232451|6.832705|7.846827|4.111841|6.284984|3.500166|6.460945|3.900469|2.615851|2.490908|2.445618|2.106500|2.076505|1.817363|2.249024|1.668185|1.852852|388.023441| |2.767338|4.006804|2.566295|3.643364|4.376363|5.895742|6.106736|4.526324|3.713898|7.253300|0.195381|4.804666|5.796270|3.314935|5.232368|2.928222|5.344643|3.405514|2.335359|2.217439|2.232151|1.948156|1.915841|1.695728|2.116861|1.572869|1.736347|94.273265|73.516695| |2.180514|3.235384|2.170684|2.861866|3.155896|4.016838|4.827074|3.967507|3.130174|7.254225|0.186530|6.385218|9.067472|4.612359|6.619615|4.162716|8.199480|4.454324|2.848327|2.871210|2.835821|2.421078|2.418160|2.080823|2.530171|1.862414|2.079717|93.843612|13.591303|73.516695| |2.595444|3.978620|2.720206|3.595248|3.747215|4.557307|5.785692|5.345096|4.150467|6.566800|0.141045|5.472293|6.033031|3.406985|5.443771|2.933519|5.456791|3.331920|2.249826|2.171378|2.094039|1.850421|1.849645|1.646877|2.044269|1.503456|1.644767|76.456682|13.012616|13.061408|36.858105| |2.924409|4.482082|3.075386|4.025982|4.101443|4.680711|5.485939|5.387932|4.552762|5.219045|0.117914|4.266970|4.731389|2.821255|4.665150|2.453260|4.484714|2.873640|1.984094|1.890875|1.834410|1.640217|1.635176|1.474050|1.847887|1.361213|1.478601|49.483415|11.397736|8.816580|13.727296|36.858105| |2.724857|4.178281|3.016632|3.559870|3.428487|3.658881|4.168092|4.455465|4.060646|3.918541|0.091570|3.497064|3.988716|2.467433|4.148021|2.179092|3.993028|2.585847|1.790846|1.722929|1.662107|1.505866|1.510579|1.375238|1.728928|1.268238|1.366097|33.661535|7.825615|6.827657|7.958468|13.783057|36.858105| |2.332496|3.577660|2.639470|2.993205|2.861355|3.073790|3.576256|3.873189|3.476415|3.545162|0.083279|3.396767|3.966900|2.478560|4.155552|2.212079|4.104570|2.612340|1.789568|1.752703|1.674646|1.525990|1.543710|1.407911|1.762476|1.285583|1.379853|30.005068|6.592051|6.612120|6.944597|7.981163|13.754400|36.858105| |2.151067|3.297735|2.399103|2.794580|2.725138|3.028118|3.638761|3.837112|3.274046|3.872087|0.090008|3.897036|4.625633|2.838470|4.662662|2.538277|4.798146|2.936057|1.973211|1.965652|1.862430|1.688869|1.718475|1.554860|1.928873|1.402123|1.510345|33.656430|6.842180|7.902661|7.952578|6.842956|7.884206|13.769687|36.858105| |2.245878|3.441954|2.428765|3.004723|3.029766|3.537244|4.422024|4.387066|3.517012|5.113709|0.114689|5.064584|5.918519|3.419826|5.436872|3.004503|5.731503|3.379583|2.241357|2.226911|2.115323|1.885400|1.909038|1.702156|2.098402|1.530978|1.666807|49.527259|8.872214|11.614026|13.737421|7.893876|6.848345|7.984736|13.763973|36.858105| |2.096567|3.176657|2.424399|2.542930|2.385335|2.471051|2.771524|3.041768|2.890083|2.704653|0.065730|2.655262|3.194845|2.072793|3.535867|1.884229|3.481940|2.271098|1.568798|1.545134|1.475215|1.363354|1.384268|1.278172|1.609710|1.170680|1.244865|21.664752|4.960242|4.972076|4.251082|4.781839|7.056788|10.960388|7.058309|4.781437|448.794386| |17.637496|12.531189|7.546144|5.723554|4.893502|3.614572|3.129522|3.327355|4.241046|2.514029|0.067314|2.239431|2.645110|1.809817|3.297584|1.593159|2.719980|2.038474|1.534788|1.348728|1.314746|1.192176|1.149149|1.060775|1.383052|1.044350|1.127414|16.188404|4.268550|3.466313|2.302821|2.579334|2.464292|2.145582|1.975208|2.033451|15.846252|0.500000| |17.586308|12.373481|5.751395|6.897136|6.922401|4.674062|3.721643|3.733336|4.612621|2.921225|0.080057|2.523829|2.972579|2.024127|3.680928|1.767557|2.993902|2.260902|1.713055|1.482199|1.452580|1.304536|1.248568|1.145298|1.492423|1.132331|1.231094|18.250640|4.901203|3.860314|2.482031|2.726988|2.496905|2.162177|2.030196|2.148801|15.510697|0.303795|0.500000| |17.490054|12.219950|6.222576|6.868869|6.553598|4.545962|3.708438|3.782747|4.717453|2.909691|0.077719|2.479210|2.901998|1.940836|3.472170|1.706178|2.936569|2.157497|1.604855|1.425416|1.399585|1.264270|1.222729|1.123937|1.457219|1.097177|1.186933|19.175739|5.245020|3.987643|2.716221|3.137236|2.915437|2.443525|2.224355|2.319030|17.558332|0.301066|0.300426|0.500000| |6.231325|12.218941|17.486179|6.857350|4.705218|3.774932|3.702176|4.539743|6.549642|2.897252|0.072869|2.652872|3.009804|2.024549|3.689828|1.749944|3.013381|2.191851|1.621384|1.442232|1.380881|1.250008|1.216376|1.118911|1.445751|1.083628|1.169379|18.770293|4.692136|3.958616|2.911105|3.394266|3.437401|2.964070|2.619715|2.600931|22.056410|0.167216|0.131497|0.160122|0.500000| |5.746940|12.378789|17.585865|6.910983|4.618775|3.739685|3.726709|4.677559|6.933391|2.914312|0.074034|2.757244|3.120905|2.144971|4.011539|1.829966|3.098082|2.312535|1.740092|1.507251|1.429649|1.287475|1.242043|1.140263|1.479314|1.115781|1.209168|17.874594|4.372955|3.836881|2.666990|2.934148|2.883463|2.591307|2.395838|2.424964|19.164483|0.156649|0.133450|0.131391|0.300397|0.500000| |7.538017|12.532220|17.637442|5.723810|4.239140|3.327512|3.129349|3.613694|4.895147|2.510468|0.065248|2.318838|2.697751|1.853399|3.415174|1.616642|2.759831|2.058309|1.545292|1.358641|1.305557|1.185133|1.146311|1.058532|1.377392|1.037363|1.118348|16.033666|4.060223|3.455039|2.374213|2.663325|2.637004|2.336465|2.129929|2.144067|17.597914|0.251016|0.156899|0.166528|0.301060|0.303793|0.500000| |7.601622|9.656038|4.636666|8.834367|17.785440|9.037862|5.648004|4.985310|5.646170|4.118545|0.114293|3.256271|3.741121|2.457993|4.371875|2.111294|3.582480|2.647862|1.981430|1.713468|1.688788|1.495096|1.429789|1.296621|1.675071|1.270134|1.392918|25.055776|7.032514|5.030473|3.227672|3.533779|3.019506|2.541622|2.414927|2.655976|17.377515|0.148514|0.245386|0.213701|0.117362|0.113820|0.113513|0.500000| |3.959315|5.706742|3.283085|5.628745|9.007435|17.723374|8.919891|5.686308|4.980617|7.040159|0.218952|4.627180|5.262574|3.258737|5.544473|2.741875|4.653455|3.337402|2.447064|2.115240|2.103094|1.816862|1.730570|1.540443|1.966563|1.492497|1.660390|39.391980|11.704136|7.379074|4.234389|4.228350|3.306996|2.814352|2.808350|3.311515|18.306327|0.089890|0.117176|0.112909|0.088073|0.086779|0.080121|0.220701|0.500000| |3.287489|5.716606|3.969298|5.638956|4.980005|5.675078|8.882267|17.720181|9.040348|6.855792|0.141369|7.060549|6.283635|3.874079|7.003145|2.996909|5.085464|3.505446|2.520294|2.186335|2.022841|1.762780|1.707140|1.523525|1.930016|1.448770|1.599320|35.624088|7.290691|7.177497|5.545550|5.263374|4.564402|4.218971|4.331889|4.916131|26.389249|0.080235|0.086734|0.088324|0.113128|0.117629|0.090081|0.108082|0.124250|0.500000| |4.638393|9.653982|7.606426|8.839298|5.645314|4.986117|5.648698|9.031394|17.785425|4.088259|0.097318|3.856940|4.069024|2.697747|5.000324|2.224909|3.774900|2.733004|2.021933|1.752609|1.647690|1.465617|1.417664|1.287471|1.653420|1.243612|1.357116|24.031878|5.614435|4.972573|3.718193|4.084067|3.897517|3.448411|3.207147|3.309175|23.895754|0.113555|0.113669|0.117640|0.214131|0.245370|0.148575|0.123478|0.108096|0.221973|0.500000| |2.620982|4.189044|2.805868|3.870894|3.979021|4.997947|7.171288|6.678611|4.693116|8.934339|0.205870|17.666404|12.692370|7.656506|14.269730|4.757853|7.404887|5.282455|3.816315|3.029843|2.718431|2.256653|2.128271|1.847218|2.328077|1.773476|2.012789|36.447663|7.135020|8.389357|4.391228|3.702842|3.141625|3.039736|3.371790|4.097434|19.743978|0.064793|0.073406|0.070119|0.076313|0.082559|0.067796|0.092670|0.124490|0.205116|0.115363|0.500000| |2.440777|3.877602|2.672139|3.535910|3.564799|4.408682|6.428558|6.354582|4.392751|8.757252|0.174665|17.554275|12.433854|6.310791|10.070318|4.478553|7.742975|4.763394|3.206751|2.874402|2.596668|2.203218|2.143090|1.865333|2.317068|1.732255|1.939534|46.158810|7.948663|10.896643|6.241988|4.686575|3.936549|3.972502|4.759217|6.305717|24.352161|0.060749|0.066632|0.066984|0.075561|0.077378|0.064519|0.083585|0.110549|0.223207|0.111363|0.303641|0.500000| |2.037678|3.064363|2.075025|2.687766|2.892622|3.611282|4.454947|3.823084|2.998211|6.785823|0.186016|9.008450|25.964368|9.475206|10.869617|7.778954|14.924824|6.946108|4.134040|4.059517|3.746356|2.995204|2.898371|2.405764|2.910483|2.177995|2.508371|44.525184|8.027776|15.413015|4.651394|3.537514|2.969424|2.979477|3.544703|4.658806|19.124841|0.051105|0.057078|0.056575|0.057915|0.058869|0.051754|0.071828|0.101320|0.112645|0.075691|0.179702|0.210019|0.500000| |1.608460|2.378759|1.648877|1.951188|2.020111|2.262892|2.494008|2.370426|2.096320|2.835488|0.082572|3.392616|5.546370|5.676482|11.632972|6.218546|8.145326|12.298041|17.590615|6.419785|4.639124|3.632611|3.056982|2.589639|3.378334|2.753018|3.353702|17.136909|3.818176|4.604639|2.131379|1.894559|1.730924|1.741698|1.916414|2.145997|12.380875|0.041693|0.046075|0.043128|0.044454|0.048125|0.042482|0.052371|0.062871|0.068496|0.055563|0.101080|0.085359|0.101737|0.500000| |1.563997|2.274177|1.557271|1.862046|1.971221|2.221500|2.382874|2.199908|1.956050|2.733397|0.082548|3.092383|5.128973|4.850643|8.738772|5.814694|7.974438|12.541935|17.596348|7.448342|6.243274|4.504782|3.508094|2.907362|3.835877|3.247890|4.206540|16.912083|3.859532|4.590320|2.047118|1.825090|1.652724|1.645340|1.799261|2.028582|11.664475|0.040445|0.045174|0.042231|0.041970|0.044858|0.040332|0.051857|0.063364|0.062142|0.051222|0.089138|0.076524|0.098116|0.300177|0.500000| |1.813837|2.678923|1.816647|2.237586|2.377265|2.734606|3.000211|2.738477|2.380006|3.501077|0.106862|4.120686|6.945013|7.239777|14.265350|7.092241|8.777372|12.316150|17.717301|5.661341|4.729660|3.503080|2.951372|2.468668|3.187069|2.581785|3.162744|20.247538|4.524482|5.393342|2.403620|2.122925|1.895332|1.872428|2.052052|2.350638|13.063001|0.046430|0.052497|0.048656|0.048708|0.052665|0.046503|0.061486|0.077253|0.077356|0.061599|0.123846|0.097346|0.122908|0.302265|0.302197|0.500000| |1.381699|2.010609|1.399227|1.636071|1.708207|1.913205|2.080908|1.956671|1.739152|2.405613|0.070178|2.761174|4.642878|4.241329|7.152298|5.904633|9.205359|12.561947|7.537473|17.582337|8.804898|6.893062|5.152117|4.057873|5.196515|4.381934|5.918478|15.744972|3.544197|4.428205|1.962757|1.733526|1.593777|1.621294|1.801236|2.010758|11.605792|0.035949|0.039350|0.037646|0.038236|0.040221|0.036299|0.044827|0.054115|0.056402|0.046152|0.076536|0.071630|0.093913|0.194704|0.221639|0.148357|0.500000| |1.410967|2.062621|1.438442|1.692319|1.766452|2.001235|2.214987|2.077238|1.818356|2.630602|0.075636|3.071333|5.379261|4.781363|7.406244|7.586827|14.082270|12.501614|5.745872|17.653781|8.844570|6.941165|6.212132|4.503063|5.223390|4.007107|5.031804|17.759468|3.907176|5.201212|2.216422|1.916593|1.758540|1.810817|2.053687|2.318699|12.843247|0.036579|0.039873|0.038720|0.039684|0.041211|0.037112|0.046007|0.056500|0.060588|0.048199|0.081965|0.081084|0.114277|0.145721|0.148140|0.127389|0.302938|0.500000| |1.470636|2.117281|1.449553|1.746216|1.876158|2.159002|2.326157|2.095653|1.833601|2.814505|0.085036|3.064390|5.405301|4.375375|6.495999|6.405476|12.273412|9.543648|5.046706|8.900406|17.591621|8.910776|7.078815|4.712188|5.411694|4.243742|5.684435|19.494851|4.427693|5.817978|2.300232|1.990686|1.786759|1.796828|2.011560|2.317267|12.572037|0.037852|0.041950|0.040698|0.039901|0.040971|0.037459|0.049470|0.062975|0.059362|0.047697|0.079907|0.077853|0.120308|0.114142|0.144148|0.124573|0.173984|0.213402|0.500000| |1.435542|2.057666|1.407024|1.681515|1.803755|2.045902|2.167414|1.967414|1.748767|2.537615|0.077312|2.747193|4.641798|3.929923|6.289823|5.261282|8.603262|9.485856|6.084403|8.829604|17.546497|8.909095|5.645656|4.228026|5.408185|4.726732|7.143676|16.887326|3.914259|4.782514|2.016724|1.784989|1.612245|1.608660|1.769522|2.006091|11.387613|0.037105|0.041285|0.039404|0.038366|0.039923|0.036565|0.047942|0.059630|0.055268|0.045613|0.074590|0.069162|0.096863|0.132677|0.207302|0.143009|0.211293|0.173705|0.302515|0.500000| |1.269010|1.822198|1.268572|1.481153|1.562732|1.758787|1.895006|1.757548|1.561645|2.225281|0.064469|2.416301|4.008706|3.120295|4.837064|4.130801|8.679862|5.774480|3.319592|5.664936|6.936840|8.867044|17.716074|8.918204|7.754632|5.055641|5.673917|16.141801|3.682932|4.806531|2.018679|1.764581|1.625882|1.669894|1.878261|2.101936|11.941862|0.032984|0.035812|0.035293|0.035255|0.035812|0.032978|0.041329|0.050546|0.050396|0.041286|0.062813|0.064614|0.090083|0.083708|0.093231|0.082272|0.132223|0.181903|0.208707|0.141990|0.500000| |1.090658|1.553455|1.090358|1.243197|1.301024|1.434414|1.522425|1.433687|1.300327|1.728973|0.049651|1.845075|2.909796|2.246400|3.643972|2.737583|5.375744|3.904294|2.462037|3.594975|4.088702|5.654497|8.918220|17.703495|12.716982|5.926547|5.055294|12.567786|2.934404|3.602999|1.619369|1.451595|1.361716|1.400890|1.548774|1.685008|10.258335|0.028603|0.030736|0.030346|0.030318|0.030737|0.028599|0.034729|0.041056|0.040964|0.034701|0.048786|0.049990|0.063609|0.064574|0.070621|0.061850|0.095187|0.108995|0.111242|0.096999|0.214950|0.500000| |1.058089|1.498099|1.046999|1.188512|1.246095|1.358734|1.417875|1.335783|1.228125|1.576132|0.046023|1.674127|2.602880|2.083179|3.527335|2.473661|4.415423|3.851620|2.677123|3.526601|4.081631|5.653489|5.053110|5.925046|12.721836|17.699995|8.912901|10.943262|2.596126|3.018067|1.394316|1.272038|1.189175|1.202879|1.303607|1.415165|8.840156|0.027863|0.030158|0.029145|0.028730|0.029641|0.027644|0.033565|0.038998|0.037727|0.032762|0.045724|0.044394|0.054546|0.070786|0.082918|0.066163|0.105351|0.093456|0.097433|0.111744|0.109251|0.129985|0.500000| |1.215949|1.730261|1.198421|1.386806|1.465635|1.618291|1.695463|1.578168|1.435352|1.912221|0.056747|2.051565|3.274790|2.704861|4.560096|3.330340|5.696832|5.597135|3.949489|5.393017|6.896982|8.862701|5.671202|5.057335|7.760849|8.924425|17.711027|12.953296|3.048534|3.587537|1.611261|1.455739|1.342730|1.349166|1.468538|1.620267|9.771852|0.031805|0.034858|0.033352|0.032710|0.034026|0.031465|0.039310|0.046672|0.044460|0.037981|0.056373|0.053279|0.067928|0.099714|0.132078|0.093974|0.166733|0.126895|0.143236|0.212575|0.123814|0.109286|0.215182|0.500000| |3.322395|5.002720|3.304697|4.568373|4.873063|5.527480|5.927536|5.486435|4.840255|5.230377|0.122389|4.010947|4.472713|2.695990|4.491721|2.346691|4.238719|2.783024|1.945288|1.829357|1.791664|1.599975|1.584437|1.430360|1.802368|1.333563|1.450182|47.252117|12.939460|8.118257|8.913345|17.765199|8.923938|5.663692|4.940289|5.632615|31.635729|0.079706|0.085867|0.101656|0.100693|0.085366|0.079368|0.116870|0.138816|0.136920|0.115848|0.099021|0.115805|0.091955|0.051365|0.050042|0.058270|0.046730|0.050985|0.053935|0.048900|0.047196|0.038999|0.034721|0.039851|0.500000| |2.860636|4.332300|3.181223|3.568174|3.374554|3.438591|3.730750|4.030895|3.931696|3.385462|0.081310|3.015079|3.483349|2.201057|3.746583|1.957967|3.561165|2.357949|1.650082|1.579506|1.529954|1.394353|1.396078|1.279158|1.617365|1.187804|1.274589|27.785607|6.833728|5.723907|5.650272|8.910448|17.757934|8.918073|5.629789|4.942475|53.959045|0.072455|0.071519|0.086435|0.103465|0.082629|0.077839|0.084015|0.086363|0.111316|0.106675|0.077268|0.091900|0.071475|0.044438|0.042578|0.048505|0.040868|0.044592|0.045423|0.041446|0.041480|0.035194|0.031073|0.034896|0.214257|0.500000| |1.939067|2.955240|2.173996|2.459593|2.388226|2.624240|3.107447|3.287155|2.858872|3.333049|0.079406|3.494009|4.304579|2.715715|4.478483|2.476178|4.723789|2.879036|1.923566|1.949793|1.834580|1.678973|1.722158|1.565738|1.938305|1.401460|1.501673|27.788246|5.747271|6.915855|5.647923|4.939630|5.628284|8.919556|17.757206|8.902367|53.932900|0.049990|0.051058|0.055295|0.065482|0.060861|0.054199|0.059444|0.068215|0.103768|0.079112|0.085444|0.117998|0.091920|0.052285|0.048752|0.054923|0.049799|0.057207|0.054767|0.048080|0.052400|0.043551|0.036176|0.040388|0.107365|0.124108|0.500000| |2.064589|3.141443|2.210400|2.722616|2.775744|3.270632|4.072037|3.939937|3.152975|5.037877|0.116103|5.406942|6.804881|3.865589|5.948551|3.451534|6.799135|3.780279|2.443545|2.491217|2.347627|2.080597|2.120765|1.871881|2.284210|1.660619|1.815441|47.305620|8.218245|13.441706|8.914850|5.631726|4.942784|5.665939|8.919786|17.756983|31.633895|0.052166|0.055551|0.058701|0.064711|0.061870|0.054668|0.068241|0.086773|0.123295|0.082537|0.118065|0.188460|0.156338|0.064711|0.060999|0.070484|0.061704|0.073039|0.072087|0.061005|0.065685|0.051493|0.042339|0.048701|0.124103|0.107409|0.214191|0.500000| 2373.092645 -13705.057135 5155.778219 -257.862324 -6434.048595 4058.403303 -2375.645292 2.001076 BD543FFFFFFFFFE1 4572C6E141D094B5 44F14A7AB6290D8B 425A39C84C000005 33BE882559E8B135 445ADAA19BB4B7C3