Version2.0 2020-01-26T14:34:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)OC(C)C)c3ccc(cc3)OCc4ccccc4Cl C41001637 RHF 6-31G(d) (6D,7F) CCCCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)OC(C)C)c3ccc(cc3)OCc4ccccc4Cl C01[X(C27H31Cl1N4O3S1)] 195 C1 610 CCCCSc1nn2c(n1)NC(=C([C@@H]2c1ccc(cc1)OCc1ccccc1Cl)C(=O)OC(C)C)C CCCCSc1nn2c(n1)NC(=C([C@@H]2c1ccc(cc1)OCc1ccccc1Cl)C(=O)OC(C)C)C CCCCSc1nn2[C@@H](c3ccc(OCc4ccccc4Cl)cc3)C(=C(C)Nc2n1)C(=O)OC(C)C InChIKey=BXSWZZIRSRXRJX-DEOSSOPVSA-N InChI=1S/C27H31ClN4O3S/c1-5-6-15-36-27-30-26-29-18(4)23(25(33)35-17(2)3)24(32(26)31-27)19-11-13-21(14-12-19)34-16-20-9-7-8-10-22(20)28/h7-14,17,24H,5-6,15-16H2,1-4H3,(H,29,30,31)/t24-/m0/s1 InChI=1/C27H31ClN4O3S/c1-5-6-15-36-27-30-26-29-18(4)23(25(33)35-17(2)3)24(32(26)31-27)19-11-13-21(14-12-19)34-16-20-9-7-8-10-22(20)28/h7-14,17,24H,5-6,15-16H2,1-4H3,(H,29,30,31)/t24-/m0/s1/f/h29H CCCCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)OC(C)C)c3ccc(cc3)OCc4ccccc4Cl C01[X(C27H31Cl1N4O3S1)] 195 C01 610 CCCCSc1nn2c(n1)NC(=C([C@@H]2c1ccc(cc1)OCc1ccccc1Cl)C(=O)OC(C)C)C CCCCS[C@@H]1NN2[C@@H](N1)NC(=C([C@@H]2c1ccc(cc1)OCc1ccccc1Cl)C(=O)OC(C)C)C CCCCS[C@H]1N[C@H]2NC(=C([C@@H](N2N1)c3ccc(OCc4ccccc4Cl)cc3)C(=O)OC(C)C)C InChIKey=ZXPDQHLVHGWVAT-OIKPOIBNSA-N InChI=1S/C27H35ClN4O3S/c1-5-6-15-36-27-30-26-29-18(4)23(25(33)35-17(2)3)24(32(26)31-27)19-11-13-21(14-12-19)34-16-20-9-7-8-10-22(20)28/h7-14,17,24,26-27,29-31H,5-6,15-16H2,1-4H3/t24-,26+,27-/m0/s1 InChI=1/C27H35ClN4O3S/c1-5-6-15-36-27-30-26-29-18(4)23(25(33)35-17(2)3)24(32(26)31-27)19-11-13-21(14-12-19)34-16-20-9-7-8-10-22(20)28/h7-14,17,24,26-27,29-31H,5-6,15-16H2,1-4H3/t24-,26+,27-/m0/s1 3986.4465254145 -2339.8846746 1-A 32318.5598 139 471 610 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 6.7925 9.3142 12.0704 18.2030 33.4077 35.3451 38.8081 41.7029 42.6621 48.0696 66.2041 78.9082 92.2935 103.5522 104.6248 105.2909 125.3920 136.6755 150.1842 158.9303 161.5676 169.5033 176.3222 183.9242 192.6934 225.7930 242.4431 255.2990 263.3818 271.9185 274.2502 280.7256 297.8352 310.4057 325.8722 344.0948 375.1907 390.9968 404.5637 420.4575 440.0746 442.0166 446.9516 455.0651 461.1663 466.0234 478.7618 490.7839 505.2928 526.5269 547.5225 568.3201 587.9977 596.3361 609.9353 652.6672 678.6075 695.8376 698.5927 749.7276 763.3982 776.6052 784.8727 792.8805 815.1259 833.2311 839.0683 853.5593 854.4681 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3215.3594 3239.4347 3239.9429 3255.2571 3262.5589 3263.8442 3264.2380 3269.2290 3275.1168 3286.0960 3301.9593 3304.6019 3313.6597 3316.0619 3317.5904 3338.2985 3360.5453 3367.8968 3379.1440 3385.1981 3397.0833 3402.5396 3405.8729 3428.3520 3900.6315 5.3550 6.7289 4.9062 4.8821 3.8291 4.1467 4.1486 3.0611 2.8161 4.2251 5.6791 5.2429 4.5826 3.8472 2.5054 3.8292 3.9122 2.1650 5.9213 2.4479 1.8949 3.6770 6.3260 3.4634 6.1172 7.2594 1.0263 2.6840 1.1204 3.1035 4.2250 1.9762 6.5563 3.5434 4.0114 5.9281 3.4691 4.5394 6.0476 3.2512 6.5567 4.7352 2.4798 2.2781 3.0050 3.5157 3.6798 3.0892 4.0495 3.6510 5.3668 3.6211 5.2618 3.4401 5.2634 4.2553 6.4637 5.9583 5.9322 4.6099 6.6173 9.4874 3.4637 1.0860 4.1429 6.0670 9.7859 6.8278 1.2410 1.1509 5.1361 5.5491 4.2002 4.9452 1.3488 3.1041 4.7298 2.3252 2.1772 2.6632 1.3079 1.1993 1.1941 2.4172 1.5496 1.4380 1.3561 3.5333 1.3639 3.8192 3.3406 2.3181 1.3287 2.3264 4.8078 2.6155 1.6755 1.5214 3.8661 1.1814 4.1944 2.0637 3.1209 2.5214 2.7091 1.7750 1.9595 2.0114 2.8715 1.2388 2.0614 2.2717 1.9053 1.9517 3.8532 1.4781 3.5423 1.2723 2.5456 2.2991 1.0681 2.3010 1.1919 3.3051 1.7929 1.0608 4.0342 1.3994 2.2101 1.3852 1.4986 1.4644 1.4743 1.4506 1.4229 1.7339 1.4055 1.4419 1.3356 2.3036 2.0398 1.0452 1.0620 1.0903 1.0452 1.0644 1.0769 1.1041 1.0417 1.0805 2.3637 1.5781 1.8096 1.0964 1.1375 2.3852 8.5813 5.5405 6.1281 4.9915 5.8634 5.4404 7.0003 12.4619 1.0561 1.0461 1.0548 1.0375 1.0564 1.1039 1.0376 1.0423 1.1060 1.1085 1.0719 1.1039 1.0884 1.1025 1.1014 1.1037 1.0868 1.0996 1.0973 1.0923 1.1099 1.1034 1.0904 1.0884 1.0896 1.0942 1.0962 1.0964 1.0932 1.0932 1.0795 0.0001 0.0003 0.0004 0.0010 0.0025 0.0031 0.0037 0.0031 0.0030 0.0058 0.0147 0.0192 0.0230 0.0243 0.0162 0.0250 0.0362 0.0238 0.0787 0.0364 0.0291 0.0622 0.1159 0.0690 0.1338 0.2181 0.0355 0.1031 0.0458 0.1352 0.1872 0.0918 0.3427 0.2012 0.2510 0.4135 0.2877 0.4089 0.5832 0.3386 0.7481 0.5451 0.2919 0.2779 0.3765 0.4499 0.4969 0.4384 0.6092 0.5963 0.9479 0.6891 1.0719 0.7208 1.1537 1.0680 1.7537 1.6998 1.7057 1.5267 2.2721 3.3713 1.2572 0.4023 1.6218 2.4817 4.0592 2.9309 0.5339 0.4997 2.3333 2.5850 2.0063 2.4192 0.6741 1.5818 2.4618 1.2161 1.2217 1.4978 0.7527 0.7223 0.7348 1.5097 0.9772 0.9739 0.9322 2.4809 0.9596 2.7418 2.4239 1.6916 0.9897 1.7650 3.6490 2.0491 1.3258 1.2164 3.2466 0.9924 3.5636 1.7626 2.7115 2.2000 2.3717 1.6308 1.8241 1.9011 2.7592 1.2418 2.1031 2.3269 1.9689 2.0373 4.0595 1.5833 3.9102 1.4402 2.9121 2.7005 1.2594 2.7398 1.4344 4.0063 2.2150 1.3278 5.0682 1.8083 2.8804 1.8543 2.0178 2.0197 2.0931 2.0925 2.0546 2.5088 2.0345 2.0986 1.9551 3.4633 3.1223 1.6292 1.6609 1.7099 1.6409 1.6796 1.7076 1.7556 1.6588 1.7220 3.8029 2.5490 2.9253 1.7725 1.8558 4.0555 15.5013 10.2760 11.4595 9.4094 11.2436 10.6495 14.0249 28.0301 6.3392 6.3076 6.3794 6.2946 6.4256 6.7214 6.3206 6.4446 6.8404 6.9209 6.7223 6.9286 6.8332 6.9424 6.9608 7.0218 6.9817 7.0750 7.0988 7.0767 7.1976 7.2449 7.2554 7.2734 7.3306 7.3880 7.4535 7.4789 7.4716 7.5705 9.6771 0.1083 0.4402 0.6744 0.6137 1.5228 0.1379 0.4890 0.0769 0.2145 0.4146 1.1062 0.8310 0.1513 0.6560 1.5146 1.0360 3.3809 0.5889 2.0859 0.1555 0.5752 0.4810 2.2202 1.9696 1.3102 0.1444 0.0294 6.1431 0.0561 2.8989 4.6961 2.6343 2.0452 8.9353 1.6778 0.2271 1.5109 0.5702 2.3311 12.9651 5.5838 20.8834 38.0826 24.6203 2.4060 11.8778 8.0268 4.7011 9.9849 3.5685 4.6733 0.0252 6.2810 5.8915 4.6919 7.7471 11.6337 3.7487 5.8024 30.2950 11.7587 1.3955 2.4451 2.7596 12.5310 9.6778 37.7298 3.2410 64.4304 0.0134 6.7405 7.1478 39.2563 14.0828 8.0278 29.3329 34.4615 40.6562 6.1391 9.6392 0.6067 0.7560 0.2001 22.3487 9.6927 0.7427 3.8474 0.4568 0.0765 31.9663 10.6847 20.3686 0.2309 0.8120 35.5397 23.3387 0.9905 4.0983 33.4894 0.2156 8.2557 15.9258 9.4852 85.6917 52.8495 20.1906 147.1435 54.3642 13.5175 56.4980 8.7327 26.1668 24.0167 8.2061 53.1016 0.1126 36.4475 32.2222 25.3760 267.7281 5.7683 361.2766 0.6353 705.4422 128.3394 0.2902 43.2914 15.1189 190.8105 19.3489 10.7193 18.5697 11.0267 130.9104 16.4365 178.9126 28.5933 41.0417 6.8554 10.9767 37.6820 6.0604 0.9546 9.2185 2.1266 4.4500 2.1322 11.1664 5.1592 0.7242 21.9271 8.4950 5.4324 2.0374 35.2068 183.1192 335.3221 8.9802 137.4469 445.6852 2.9888 120.6636 120.5059 396.3907 26.0406 19.5908 53.2289 16.3621 12.3807 3.1803 26.1077 31.0660 14.7581 28.9959 1.5616 89.6013 78.5558 12.8628 24.8913 39.4728 5.9719 26.7576 27.3598 24.4197 19.6489 4.6230 19.5053 3.6458 10.5216 22.9751 10.9176 12.6024 12.2609 3.5036 112.5830 2.1058 6.0722 3.3624 0.7858 0.7452 0.3992 1.9215 0.4319 0.2738 0.4077 2.7306 0.4055 0.5922 4.8496 0.3267 1.7203 0.4179 0.1167 0.3961 1.7729 0.5849 1.7110 0.6872 1.8148 1.2121 0.1750 0.0419 0.2669 0.0194 4.4553 0.8995 1.4003 0.2681 2.3062 0.7525 1.8057 0.9756 1.2941 1.1455 2.8626 3.1699 2.3299 4.4985 2.9909 0.1659 1.1233 1.9725 0.1792 3.6570 1.5668 1.9728 0.2386 0.7217 1.2007 5.3687 1.6706 3.6247 7.3308 2.7437 1.8294 8.2966 2.1388 0.1678 0.0283 2.8393 10.8348 1.1283 1.5253 1.2316 0.2919 1.3347 6.0352 14.8681 0.7167 1.9302 11.7963 28.5837 19.1663 12.0593 11.8287 2.1310 0.4653 2.4609 11.3252 6.4586 3.2301 0.1433 0.0831 0.2487 4.2376 14.6367 6.1425 0.0531 16.5823 24.4029 6.5456 0.1357 1.5569 4.8745 5.0300 4.6706 1.6317 9.9918 7.2663 4.7584 0.9689 1.2280 4.7841 4.2419 9.0485 9.3918 8.0116 0.3756 3.7046 5.8518 4.0249 9.9048 1.7326 4.3902 11.4231 9.2509 8.2852 0.5768 52.8875 10.7507 28.2679 1.2828 1.0426 5.3294 5.1893 3.6970 7.0486 1.2410 12.0880 0.6551 17.6326 2.9348 19.8574 5.9386 1.8377 1.9815 16.9168 2.0341 3.6191 23.3036 50.3881 30.8657 11.5143 21.2863 0.5107 0.1682 1.6085 3.3183 1.4088 4.7347 1.3625 29.3563 7.0350 13.3732 29.2765 25.6887 104.1393 80.9511 36.1075 42.9309 77.7257 124.8905 1.7106 81.5768 125.6070 208.7223 127.7454 1.0495 26.4203 65.2421 44.8010 97.1213 49.3539 91.1719 81.3803 41.1854 54.5236 66.8817 26.5128 27.7006 51.1783 28.1354 65.8073 53.0833 142.0878 118.9199 162.0004 78.2696 97.5505 75.9717 0.7478 0.7496 0.7493 0.7483 0.6864 0.7075 0.7369 0.7500 0.7488 0.7456 0.6846 0.7499 0.6418 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654.74 663.52 670.50 688.83 706.13 727.00 757.55 787.76 817.69 846.00 857.99 877.56 939.04 976.36 1001.16 1005.12 1078.69 1098.36 1117.36 1129.26 1140.78 1172.78 1198.83 1207.23 1228.08 1229.39 1235.13 1263.39 1279.36 1295.48 1311.02 1325.08 1338.07 1352.31 1355.55 1404.13 1405.72 1421.93 1454.67 1470.37 1481.34 1488.54 1542.57 1554.09 1570.67 1572.24 1588.17 1596.67 1601.24 1617.72 1632.67 1632.99 1659.08 1667.41 1676.05 1717.70 1717.98 1727.74 1732.29 1747.17 1750.90 1753.82 1796.67 1808.48 1822.33 1837.38 1876.73 1893.31 1897.06 1905.46 1915.08 1923.95 1939.99 1969.36 1994.33 2004.81 2031.49 2035.40 2045.37 2056.29 2063.73 2083.44 2097.11 2100.96 2130.74 2139.87 2168.71 2175.04 2201.30 2233.43 2251.28 2252.38 2254.70 2255.17 2261.28 2267.78 2298.31 2319.03 2340.16 2344.10 2347.38 2348.66 2354.56 2360.27 2363.59 2365.37 2366.31 2377.54 2382.24 2383.19 2383.35 2394.15 2444.17 2519.28 2552.74 2563.24 2573.55 2595.66 2622.50 2653.14 2811.18 4592.34 4602.63 4609.71 4616.95 4622.95 4625.32 4626.19 4660.82 4661.56 4683.59 4694.09 4695.94 4696.51 4703.69 4712.16 4727.96 4750.78 4754.59 4767.62 4771.07 4773.27 4803.07 4835.08 4845.65 4861.83 4870.55 4887.65 4895.50 4900.29 4932.63 5612.14 0.585885 0.619831 0.620775 0.511826 -2339.298789 -2339.264844 -2339.263899 -2339.372848 3.654167D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2020 DUDE CCCCSc1nc2n(n1)[C@H](C(=C(N2)C)C(=O)OC(C)C)c3ccc(cc3)OCc4ccccc4Cl C41001637 RHF 6-31G(d) (6D,10F) C1 526.180541 |X|Y|Z| 104.634284 140.145822 41.585716 84.800702 23 6 7 8 18 4 1 |36.858105| |12.465639|36.858105| |7.482498|12.445529|36.858105| |4.881174|7.517044|12.466037|36.858105| |3.608625|4.600297|6.960130|10.459733|388.023441| |2.868094|3.594689|4.600275|6.887081|76.993370|36.858105| |2.814617|3.597557|4.268108|6.482629|49.156130|14.011281|53.358707| |2.360397|2.888485|3.315022|4.505179|35.931438|9.260076|19.907961|36.858105| |2.200999|2.625040|3.078667|4.007918|35.906299|9.218173|11.937929|14.497502|53.358707| |2.432164|2.912200|3.595633|4.749378|50.848935|14.731155|11.551421|8.765419|19.066557|53.358707| |1.886723|2.188190|2.501816|3.073989|26.508380|5.481224|7.258930|7.704162|17.868116|10.425406|36.858105| |1.825617|2.094233|2.404693|2.897366|25.462869|4.965909|6.237433|5.969511|12.660632|9.583972|17.651837|0.500000| |1.764507|2.041405|2.262804|2.751422|22.037999|4.323026|6.416953|6.930252|10.785020|6.986713|12.446020|0.247373|36.858105| |1.849337|2.166407|2.360538|2.911092|22.124729|4.349660|7.172125|7.995270|9.508528|6.374281|7.538222|0.162255|14.160337|36.858105| |2.123402|2.555046|2.800741|3.611216|26.699596|5.595498|10.823516|13.960600|11.181147|7.480439|6.650451|0.143715|8.070519|13.772276|53.358707| |1.699795|1.967478|2.085030|2.500070|18.227477|3.324089|5.422357|5.164638|6.140687|4.676164|4.799271|0.114629|7.432159|12.600626|10.751362|36.858105| |1.558178|1.768387|1.939213|2.282712|18.154366|3.307205|4.718771|4.519964|6.975887|5.278158|7.619353|0.199861|12.878732|7.607823|6.905083|6.124097|36.858105| |1.499061|1.685189|1.860817|2.160917|17.546741|3.113735|4.248559|3.899323|6.321156|5.095623|6.981618|0.213724|8.140352|5.341177|5.527022|4.435500|15.946191|73.516695| |1.462048|1.650671|1.778389|2.069992|15.937403|2.817793|4.125002|3.812738|5.437028|4.286634|5.152464|0.134117|8.037861|6.742933|6.164371|6.975795|14.388911|15.303712|73.516695| |1.320642|1.471725|1.576426|1.799595|13.817348|2.355712|3.373461|2.977660|4.275469|3.559519|3.912593|0.107361|5.136717|4.472366|4.596306|4.752227|8.018546|12.663901|23.560868|36.858105| |1.252112|1.389955|1.470288|1.665970|12.530400|2.102697|3.051062|2.639519|3.665221|3.099432|3.192192|0.085203|4.074986|3.877207|4.141957|4.466574|5.336500|8.324049|14.351692|12.545088|36.858105| |1.289681|1.430819|1.529768|1.733856|13.284604|2.230670|3.170851|2.741212|3.924187|3.345500|3.464342|0.099518|4.331016|3.870345|4.144270|4.108631|6.122694|10.592477|13.989783|12.528994|7.513826|36.858105| |1.789048|2.046969|2.332616|2.792693|24.047490|4.575031|5.876539|5.522704|10.536957|8.302195|12.498941|0.248885|7.465617|5.399488|6.749434|3.922414|6.041468|10.708374|7.920933|3.604759|3.044138|3.080162|36.858105| |1.657921|1.862526|2.122187|2.462839|21.397793|3.757557|4.658179|4.057130|7.317320|6.685558|7.528109|0.205555|5.283122|4.000748|5.008626|3.155049|5.056678|10.205672|6.860681|3.366166|2.827324|2.936979|13.703614|36.858105| |1.563586|1.735615|1.959697|2.226307|18.941139|3.154806|3.949827|3.300442|5.512162|5.265902|5.004859|0.133926|3.990913|3.257166|4.163055|2.704256|3.927675|7.712912|5.761042|2.944796|2.576888|2.561824|7.899895|13.818597|36.858105| |1.574245|1.749592|1.957188|2.221806|18.424459|3.048769|3.913827|3.237109|5.147302|4.871385|4.410732|0.111063|3.716180|3.186729|4.154497|2.689304|3.548288|6.547594|5.430308|2.754774|2.503869|2.361677|6.815947|7.941294|13.708845|36.858105| |1.684482|1.898857|2.117399|2.453287|20.020484|3.435940|4.552572|3.845654|5.960584|5.395304|4.984009|0.116423|4.277298|3.767617|4.993281|3.116099|3.838772|6.667685|5.907764|2.879119|2.649903|2.431860|7.872935|6.886407|7.939724|13.738625|36.858105| |1.803321|2.067653|2.325992|2.780387|22.998883|4.264817|5.750613|5.233162|8.504890|6.972577|7.507761|0.155784|6.032228|5.092808|6.702199|3.874156|4.890654|8.126585|7.130122|3.276348|2.928486|2.751681|13.772223|8.011036|6.917337|7.953506|13.729133|36.858105| |1.465869|1.607491|1.780567|1.978544|16.114682|2.560189|3.299853|2.652336|4.077530|3.956713|3.360969|0.087173|2.955569|2.617929|3.442064|2.290937|2.888908|5.345011|4.586883|2.401376|2.235038|2.086824|4.596458|5.295160|8.197103|14.086353|7.858172|5.198429|73.516695| |1.443984|1.578356|1.727291|1.905763|15.124157|2.369698|3.112352|2.465259|3.656280|3.543376|2.912723|0.074549|2.649211|2.431960|3.245133|2.174208|2.559853|4.606356|4.182051|2.191363|2.095703|1.905875|3.779720|3.989393|5.262153|8.008457|6.725063|4.516024|24.231346|36.858105| |1.326172|1.430687|1.554395|1.684776|13.252113|2.023240|2.650910|2.068611|3.041208|2.989982|2.398430|0.062863|2.209489|2.045215|2.729870|1.863499|2.172298|3.948177|3.600314|1.929006|1.860968|1.705169|2.965370|3.190523|4.068698|5.211757|4.406023|3.341315|14.268404|12.596207|36.858105| |1.265691|1.357353|1.479275|1.592850|12.642093|1.913252|2.480039|1.932317|2.872318|2.850930|2.282772|0.061121|2.089345|1.912469|2.535967|1.742779|2.086465|3.866429|3.442574|1.870316|1.787489|1.672357|2.789974|3.121059|4.025472|4.696771|3.769824|2.996040|12.490072|7.507329|13.715422|36.858105| |1.176813|1.251034|1.353864|1.441649|11.324332|1.689093|2.196244|1.695686|2.494073|2.487660|1.961245|0.052955|1.816801|1.680334|2.233996|1.550741|1.823001|3.373700|3.043001|1.670856|1.610159|1.511937|2.323131|2.565167|3.149490|3.503511|2.963348|2.460669|8.268979|4.997518|7.887964|13.756617|36.858105| |1.142440|1.210224|1.298830|1.376172|10.656065|1.580228|2.073259|1.590731|2.306251|2.295714|1.792129|0.048073|1.680533|1.576849|2.109026|1.469868|1.676608|3.064026|2.830123|1.552554|1.515032|1.406650|2.092076|2.248176|2.678649|3.018579|2.679132|2.246857|6.823260|4.418763|6.806143|7.936096|13.771251|36.858105| |1.185165|1.259967|1.347214|1.432296|10.998375|1.637971|2.166675|1.661502|2.386899|2.362581|1.843207|0.048823|1.738214|1.646128|2.213115|1.537818|1.717350|3.099158|2.911312|1.583353|1.556901|1.424083|2.158853|2.269352|2.685881|3.136118|2.874883|2.377120|7.060081|5.005636|7.854832|6.886132|7.962398|13.766964|36.858105| |1.275960|1.368627|1.470605|1.580272|12.195958|1.840320|2.437870|1.882441|2.712920|2.668077|2.103425|0.055035|1.972947|1.862741|2.505626|1.724525|1.933087|3.470379|3.256394|1.750681|1.715903|1.556383|2.519696|2.630481|3.175233|3.912628|3.595020|2.850158|9.213958|7.557034|13.708115|8.018725|6.936822|7.979723|13.785739|36.858105| |1.324901|1.427016|1.518832|1.637167|12.391009|1.876268|2.529085|1.944743|2.742699|2.673142|2.093051|0.053881|1.993868|1.923771|2.616544|1.797038|1.923036|3.379533|3.275768|1.740703|1.729677|1.540146|2.474326|2.475140|2.871364|3.582390|3.602111|2.891815|7.644674|6.266091|6.987968|4.761333|4.235023|4.779044|7.074203|10.871247|448.794386| |17.549968|8.777849|5.458891|4.053966|21.784009|2.551885|3.484782|2.180907|2.750650|2.981747|1.751644|0.046998|1.660169|1.751027|2.721713|1.631065|1.474607|2.514695|2.480960|1.265051|1.207274|1.236521|1.663098|1.541154|1.458569|1.473986|1.578971|1.684383|2.450359|1.364921|1.258119|1.199225|1.119015|1.090919|1.133631|1.217071|10.190066|0.500000| |17.539495|8.774872|6.781623|4.507781|25.046211|2.774885|3.646860|2.267930|2.914584|3.241818|1.847203|0.049598|1.714489|1.782545|2.769504|1.633096|1.518865|2.608971|2.528375|1.288082|1.222279|1.252343|1.777216|1.657132|1.576899|1.595098|1.700859|1.801779|2.656585|1.477703|1.361780|1.299003|1.209671|1.176471|1.221350|1.313339|10.947851|0.301666|0.500000| |17.539230|8.774711|6.781514|4.507663|25.046841|2.774239|3.648399|2.268372|2.914130|3.239809|1.844634|0.050118|1.720854|1.790231|2.771490|1.644706|1.528923|2.629767|2.545377|1.298495|1.226060|1.276771|1.739298|1.624324|1.527070|1.523230|1.615994|1.732123|2.521978|1.388268|1.279333|1.229024|1.144934|1.107966|1.143290|1.226941|10.147438|0.301662|0.301665|0.500000| |8.859753|17.516942|8.853807|6.918842|30.513603|3.532546|4.960820|2.933119|3.575547|3.898397|2.193937|0.057565|2.061503|2.208666|3.574112|2.015145|1.778812|2.994147|2.966239|1.483381|1.410394|1.430403|2.073407|1.871705|1.754801|1.791241|1.964945|2.131600|2.930020|1.633603|1.476026|1.389302|1.278756|1.242576|1.302045|1.419023|12.002451|0.212800|0.210726|0.172951|0.500000| |8.859671|17.516551|8.853581|6.918504|30.514772|3.531239|4.964713|2.934089|3.574731|3.894940|2.189674|0.058377|2.072525|2.223247|3.578381|2.036935|1.794919|3.025481|2.993609|1.499237|1.416177|1.466865|2.014289|1.825136|1.687348|1.691858|1.838058|2.019581|2.753448|1.515862|1.373306|1.305206|1.203475|1.163167|1.209258|1.312455|10.976432|0.212799|0.172952|0.210719|0.303826|0.500000| |6.873946|8.850476|17.525829|8.852286|46.798036|4.304556|5.285059|3.100376|4.011481|4.730190|2.423623|0.065938|2.185773|2.253625|3.574148|1.994302|1.893291|3.258257|3.079417|1.545093|1.433379|1.513976|2.240431|2.066160|1.900035|1.871629|1.996851|2.192360|3.032540|1.641164|1.486014|1.427013|1.310373|1.252651|1.290510|1.401575|11.507837|0.140457|0.169120|0.203966|0.173674|0.211734|0.500000| |6.874010|8.850324|17.526660|8.852616|46.793042|4.306858|5.280260|3.099185|4.012592|4.736343|2.429395|0.064773|2.172818|2.238399|3.569842|1.973791|1.874377|3.219144|3.049586|1.527721|1.427367|1.473922|2.322750|2.134552|1.998078|2.009144|2.162963|2.338062|3.273843|1.793960|1.618975|1.539254|1.409460|1.353677|1.405345|1.533889|12.709296|0.140457|0.203970|0.169124|0.211728|0.173670|0.303411|0.500000| |4.523277|6.833087|8.804759|17.620736|56.439859|6.537967|9.274707|4.703192|5.494765|6.235892|3.103638|0.079227|2.810451|3.024183|5.214314|2.604367|2.311765|3.849312|3.751492|1.824701|1.704344|1.736307|2.873718|2.494504|2.275956|2.317568|2.610994|2.954549|3.666813|2.011310|1.764771|1.649445|1.487992|1.427290|1.498077|1.663041|14.015881|0.108356|0.119392|0.111031|0.206279|0.170535|0.173280|0.211254|0.500000| |4.523472|6.834267|8.804246|17.621651|56.433146|6.529304|9.301834|4.707600|5.491750|6.221222|3.091513|0.081389|2.838756|3.062302|5.228242|2.652342|2.347627|3.916824|3.807658|1.854616|1.714667|1.803043|2.721585|2.386830|2.133667|2.112720|2.332336|2.675018|3.335942|1.802110|1.595929|1.513120|1.372451|1.309994|1.360862|1.497648|12.447298|0.108365|0.111037|0.119383|0.170594|0.206309|0.211190|0.173280|0.302636|0.500000| |2.187104|2.652330|2.832805|3.641744|25.230011|4.942854|9.910427|9.445154|8.129779|6.192316|4.943337|0.114136|5.852039|9.202530|26.098979|7.527614|4.176934|6.085010|7.030939|3.057070|2.843738|2.803544|3.962830|3.094256|2.655472|2.681687|3.186842|4.043896|4.049188|2.184423|1.861595|1.727083|1.535564|1.461815|1.538370|1.730938|14.649679|0.057727|0.057710|0.057909|0.076415|0.076878|0.073197|0.072796|0.108795|0.110167|0.500000| |1.590374|1.822702|1.924115|2.273436|16.625415|2.965303|4.699312|4.348625|5.398567|4.214778|4.385390|0.104697|6.532257|8.867813|8.290349|17.642907|6.003217|7.782824|13.409783|5.197999|5.258642|4.167783|3.859834|3.142582|2.755155|2.788337|3.251843|3.950853|4.245371|2.285287|1.952430|1.814196|1.611062|1.530681|1.608568|1.810582|15.229597|0.042516|0.042745|0.042649|0.052141|0.051968|0.051004|0.051167|0.066265|0.065914|0.160369|0.500000| |1.777147|2.071655|2.162666|2.601082|18.311547|3.290337|5.563472|5.038711|5.628905|4.436680|4.087970|0.098618|5.582588|8.901009|10.663739|17.585045|4.583156|6.352723|8.895479|3.776112|3.689071|3.397723|3.424049|2.788533|2.436367|2.456202|2.855466|3.475329|3.772898|2.044597|1.764040|1.643244|1.471109|1.404953|1.476087|1.650031|13.952118|0.047641|0.047156|0.047502|0.059369|0.060060|0.057030|0.056436|0.076041|0.077525|0.250919|0.301335|0.500000| |1.619852|1.858772|1.966266|2.326665|17.039313|3.039418|4.810757|4.423372|5.491538|4.309247|4.368639|0.110522|6.569452|8.857810|8.229677|17.640750|6.173154|8.075085|13.418784|5.275663|4.829343|4.855498|3.529885|2.952132|2.526493|2.461840|2.765068|3.357990|3.769279|1.997977|1.736397|1.643334|1.472312|1.392754|1.445960|1.607078|13.300367|0.043246|0.043104|0.043884|0.052360|0.053766|0.052879|0.051538|0.066172|0.069098|0.161836|0.303367|0.301411|0.500000| |1.294159|1.436340|1.547232|1.758068|13.676703|2.316669|3.251636|2.850935|4.207904|3.553736|3.945605|0.109933|4.842271|4.019985|4.261155|4.008436|7.615427|14.230561|16.573653|17.653584|8.878091|8.890729|3.818072|3.718378|3.283473|3.015067|3.066169|3.420058|4.671809|2.357879|2.076170|2.030443|1.804036|1.660403|1.682662|1.862898|14.658788|0.034347|0.035234|0.035372|0.040186|0.040390|0.042170|0.041938|0.049474|0.049858|0.077990|0.121155|0.090930|0.117734|0.500000| |1.267559|1.410079|1.481188|1.680284|12.464958|2.089659|3.078693|2.651196|3.589843|3.032278|3.035845|0.080574|3.929273|3.959487|4.248742|4.920055|4.826648|7.296433|12.886532|8.826535|17.556085|6.841117|2.823503|2.579137|2.341705|2.292746|2.458159|2.740113|3.646643|1.943709|1.730113|1.655080|1.498441|1.419470|1.464036|1.609324|13.153727|0.034063|0.034226|0.034453|0.039781|0.040137|0.040077|0.039722|0.047789|0.048413|0.082750|0.161195|0.114074|0.154160|0.173548|0.500000| |1.170886|1.290240|1.361388|1.527042|11.480312|1.894169|2.717398|2.307702|3.222221|2.785246|2.770632|0.075279|3.369623|3.189701|3.537770|3.573657|4.295718|7.161069|10.218754|8.870701|17.560593|6.815711|2.683129|2.562914|2.379089|2.303899|2.389430|2.579123|3.725048|1.968915|1.776468|1.722135|1.565536|1.474488|1.506280|1.644680|13.210902|0.031414|0.031802|0.031924|0.036295|0.036475|0.036997|0.036808|0.043246|0.043554|0.068047|0.112739|0.085174|0.107076|0.212187|0.300893|0.500000| |1.264325|1.405092|1.485991|1.686139|12.668348|2.130477|3.099055|2.686474|3.720488|3.137721|3.243852|0.084476|4.105865|3.931429|4.231947|4.475314|5.160455|7.960267|13.039581|8.839622|17.573438|5.485718|3.204362|2.947883|2.732712|2.717287|2.914571|3.183129|4.312658|2.295542|2.020133|1.918465|1.717416|1.620020|1.677534|1.863730|15.197512|0.033863|0.034402|0.034240|0.039828|0.039579|0.040002|0.040260|0.048318|0.047874|0.080492|0.154818|0.103422|0.125726|0.213690|0.300591|0.300903|0.500000| |1.308010|1.454446|1.544224|1.752612|13.232111|2.219690|3.207226|2.759188|3.841384|3.269524|3.275930|0.092758|4.168310|3.957255|4.255694|4.450817|5.408073|8.733004|12.643745|8.834438|6.848223|17.547165|2.855000|2.665106|2.331267|2.180847|2.278916|2.592497|3.436910|1.787050|1.600769|1.560955|1.416984|1.327635|1.350090|1.473341|11.817568|0.034948|0.035115|0.035962|0.040395|0.041690|0.042437|0.041072|0.048751|0.051089|0.081519|0.122472|0.103121|0.155581|0.173797|0.204261|0.168371|0.140387|0.500000| |1.331175|1.477879|1.593654|1.809441|14.071922|2.370182|3.317704|2.872610|4.214496|3.609460|3.776063|0.113188|4.574374|3.912403|4.229857|3.904673|6.544025|12.452806|12.563725|8.831879|5.487243|17.602408|3.274163|3.168109|2.702109|2.432501|2.476677|2.827909|3.791840|1.922924|1.718871|1.697307|1.531151|1.415646|1.426119|1.558269|12.285611|0.035295|0.035893|0.036753|0.040803|0.042072|0.044064|0.042611|0.049909|0.052297|0.078413|0.106035|0.090277|0.126472|0.214376|0.140208|0.139935|0.123278|0.299933|0.500000| |1.202347|1.323697|1.409584|1.580337|12.068820|1.988790|2.803392|2.376584|3.398821|2.964828|2.947684|0.084918|3.513815|3.185657|3.539131|3.377604|4.686351|8.502305|10.080859|8.864502|6.824130|17.553630|2.707153|2.644770|2.365466|2.187384|2.220434|2.451385|3.497494|1.803952|1.635067|1.614866|1.471661|1.370744|1.381283|1.498312|11.842169|0.032099|0.032505|0.033111|0.036747|0.037624|0.038827|0.037864|0.043936|0.045465|0.067311|0.096570|0.080239|0.107504|0.212189|0.168612|0.202501|0.139891|0.300807|0.301398|0.500000| |1.621277|1.811794|2.068649|2.381532|20.862940|3.599295|4.402094|3.785557|6.855919|6.452627|7.003376|0.228650|4.997878|3.753685|4.659042|3.000577|5.039707|11.046937|6.745108|3.390282|2.777033|3.062252|8.918439|17.729460|8.977312|5.656329|4.959984|5.678070|7.618590|3.335802|2.800401|2.814171|2.371840|2.078147|2.068898|2.345931|17.607377|0.041827|0.044854|0.044496|0.050066|0.049572|0.056716|0.057460|0.065826|0.064707|0.080694|0.081777|0.073566|0.080155|0.104714|0.070374|0.070653|0.078466|0.076425|0.094508|0.076746|0.500000| |1.474042|1.618382|1.821342|2.034580|17.235838|2.775835|3.459853|2.829503|4.633011|4.548043|4.078983|0.114367|3.369231|2.800372|3.586511|2.386191|3.422846|6.880554|5.139180|2.716434|2.388067|2.411435|5.621786|8.899505|17.736976|8.957404|5.660287|4.976610|13.477736|4.872640|4.082755|4.330849|3.397625|2.803085|2.727364|3.151121|22.031693|0.038245|0.041390|0.040187|0.045236|0.043689|0.049449|0.051728|0.057281|0.054220|0.064616|0.067450|0.060129|0.062939|0.084874|0.060177|0.062354|0.069649|0.060696|0.070939|0.062871|0.215281|0.500000| |1.671266|1.879167|2.068481|2.376906|18.814513|3.150828|4.273363|3.516153|5.154560|4.722886|4.083973|0.096487|3.706728|3.446670|4.667939|2.955428|3.334440|5.680088|5.348149|2.633769|2.499523|2.232898|5.637194|4.962950|5.633204|8.859923|17.763725|8.953908|12.454104|7.438288|4.694190|3.779922|2.995236|2.783763|3.087829|3.971822|34.069620|0.043744|0.047045|0.044230|0.054598|0.050354|0.053711|0.058963|0.071335|0.062541|0.085100|0.086722|0.076831|0.072329|0.076835|0.065087|0.062896|0.077114|0.058782|0.062348|0.057062|0.107710|0.124106|0.500000| |1.891571|2.196668|2.447289|2.978500|23.763915|4.523828|6.550996|6.134823|8.886721|6.931847|6.945117|0.140370|6.276879|5.925661|8.245781|4.430501|4.737662|7.410023|7.198406|3.222725|2.948405|2.710622|8.918886|5.668623|4.974018|5.668903|8.982896|17.702693|7.464199|3.922015|2.991184|2.656912|2.230416|2.077991|2.222357|2.643618|22.307971|0.049246|0.052235|0.050074|0.063605|0.059840|0.063250|0.067753|0.089919|0.080094|0.136685|0.125169|0.112443|0.102146|0.090415|0.078338|0.071301|0.089412|0.072439|0.076340|0.066670|0.124358|0.107910|0.218661|0.500000| |1.545322|1.693673|1.859021|2.051970|16.261841|2.526874|3.307033|2.580441|3.792235|3.730030|2.927881|0.074167|2.631332|2.452878|3.352364|2.176376|2.474258|4.396125|4.029009|2.081706|1.990245|1.825401|3.762122|3.826658|4.805457|7.123670|6.831464|4.627723|16.569135|17.558395|8.907958|5.888721|4.308714|3.983521|4.615573|6.762885|52.049631|0.040471|0.044153|0.041045|0.048975|0.044859|0.048672|0.054075|0.060717|0.053329|0.062924|0.062962|0.057481|0.055162|0.061340|0.051884|0.051658|0.060230|0.047986|0.051274|0.047742|0.088833|0.120635|0.227453|0.114427|0.500000| |1.410811|1.547270|1.678718|1.862103|14.557505|2.312134|3.101120|2.486111|3.632355|3.433399|2.922523|0.073871|2.743824|2.541312|3.350173|2.303519|2.671091|4.733334|4.438604|2.326333|2.260293|1.991021|3.754914|3.818426|4.795180|7.108924|6.823845|4.621706|16.572243|17.559046|8.908604|5.869442|4.300652|3.982770|4.623738|6.790183|52.502326|0.037219|0.039909|0.037607|0.044647|0.041511|0.044206|0.048059|0.054858|0.049310|0.062814|0.068390|0.060020|0.058420|0.069446|0.058031|0.058787|0.069931|0.051879|0.055167|0.052331|0.088692|0.120408|0.227547|0.114322|0.301983|0.500000| |1.289294|1.386292|1.521606|1.645480|13.242363|2.016326|2.589119|2.030304|3.067212|3.051128|2.472590|0.066879|2.230728|2.009188|2.646599|1.812678|2.243337|4.223214|3.652549|1.986304|1.870634|1.777740|3.064745|3.567947|4.807813|5.357006|4.013020|3.204994|14.572539|6.985730|8.969798|17.781948|8.926454|5.651370|4.963858|5.691754|31.539170|0.033820|0.036670|0.034901|0.039220|0.037092|0.040955|0.043879|0.047043|0.043481|0.049667|0.052200|0.047131|0.047651|0.060462|0.047842|0.050017|0.055482|0.045775|0.050506|0.047614|0.089638|0.152373|0.106669|0.077206|0.152547|0.151788|0.500000| |1.135917|1.203164|1.303137|1.382110|10.890404|1.616031|2.092313|1.613222|2.381370|2.385768|1.876139|0.051235|1.736053|1.599676|2.121045|1.478012|1.754803|3.276138|2.926397|1.619029|1.553087|1.477921|2.197543|2.455735|2.982066|3.180713|2.680274|2.278735|7.205892|4.081131|5.631515|8.937663|17.721888|8.918187|5.655005|4.985444|27.440367|0.029995|0.032407|0.030824|0.034005|0.032201|0.035227|0.037633|0.039374|0.036636|0.040508|0.042484|0.038899|0.039242|0.048682|0.040120|0.042172|0.045670|0.038397|0.041734|0.040143|0.064219|0.091516|0.073881|0.057345|0.099738|0.099510|0.215708|0.500000| |1.082425|1.140507|1.219011|1.283551|9.887297|1.455652|1.912019|1.460669|2.108615|2.104113|1.631474|0.043993|1.537706|1.448950|1.939565|1.358945|1.538434|2.812240|2.609828|1.439593|1.409133|1.314232|1.876242|2.009471|2.349015|2.588373|2.327959|1.995035|5.636121|3.536993|4.917718|5.640329|8.899483|17.724034|8.935703|5.667069|31.696803|0.028777|0.030973|0.029211|0.032477|0.030476|0.032745|0.035271|0.036872|0.034007|0.037513|0.039227|0.036187|0.035932|0.042635|0.036789|0.038285|0.041652|0.034536|0.036721|0.035726|0.052210|0.068455|0.066856|0.051665|0.090680|0.090663|0.124124|0.214218|0.500000| |1.150164|1.218319|1.293592|1.368645|10.396251|1.539845|2.049257|1.563251|2.223588|2.200017|1.703324|0.045073|1.620108|1.549557|2.091554|1.459597|1.597074|2.863709|2.728316|1.485284|1.471725|1.340849|1.966160|2.038874|2.360615|2.726807|2.569754|2.166324|5.885952|4.097462|5.621583|4.961414|5.648764|8.886855|17.748035|8.949955|54.548863|0.030674|0.032953|0.030770|0.035061|0.032482|0.034373|0.037480|0.039844|0.036160|0.040667|0.042420|0.039149|0.038142|0.043552|0.038659|0.039623|0.044012|0.035489|0.037174|0.036186|0.051925|0.066021|0.077286|0.057104|0.108998|0.109252|0.107753|0.124036|0.214327|0.500000| 2337.843578 -13477.911698 5069.203636 -255.467097 -6326.331581 3986.446812 -2339.884768 2.000873 408B000000000013 455C9BE7CB13596C 44DA5850D878F46B 41C837DAFFFFFFFE B96FFFFFFFFFFFFE 43AAAC04C2446B7C