Version2.0 2020-08-01T03:36:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 15-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2=[NH+]CC(=c2c1)C[C@@H]([C@H]3N=N[C@@H](O3)SCC(=O)c4ccc(cc4)Cl)[NH3+] C64428710 RHF 6-31G(d) (6D,7F) c1ccc2=[NH+]CC(=c2c1)C[C@@H]([C@H]3N=N[C@@H](O3)SCC(=O)c4ccc(cc4)Cl)[NH3+] C01[X(C20H21Cl1N4O2S1)] 141 C1 470 Clc1ccc(cc1)C(=O)CS[C@H]1N=N[C@@H](O1)[C@H](CC1=c2ccccc2=[NH+]C1)[NH3+] Clc1ccc(cc1)C(=O)CS[C@H]1N=N[C@@H](O1)[C@H](CC1=c2ccccc2=[NH+]C1)[NH3+] [NH3+][C@@H](CC1=C2C=CC=CC2=[NH+]C1)[C@@H]3O[C@@H](SCC(=O)c4ccc(Cl)cc4)N=N3 InChIKey=ITTFAPDBSXUYJC-VDGAXYAQSA-P InChI=1S/C20H19ClN4O2S/c21-14-7-5-12(6-8-14)18(26)11-28-20-25-24-19(27-20)16(22)9-13-10-23-17-4-2-1-3-15(13)17/h1-8,16,19-20H,9-11,22H2/p+2/t16-,19-,20-/m0/s1 InChI=1/C20H19ClN4O2S/c21-14-7-5-12(6-8-14)18(26)11-28-20-25-24-19(27-20)16(22)9-13-10-23-17-4-2-1-3-15(13)17/h1-8,16,19-20H,9-11,22H2/p+2/t16-,19-,20-/m0/s1/fC20H21ClN4O2S/h22-23H/q+2 c1ccc2=[NH+]CC(=c2c1)C[C@@H]([C@H]3N=N[C@@H](O3)SCC(=O)c4ccc(cc4)Cl)[NH3+] C01[X(C20H21Cl1N4O2S1)] 141 C01 470 Clc1ccc(cc1)C(=O)CS[C@H]1N=N[C@@H](O1)[C@H](CC1=c2ccccc2=[NH+]C1)[NH3+] [NH3][C@H]([C@H]1N=N[C@@H](O1)SCC(=O)[C]1[CH][CH][C]([CH][CH]1)Cl)CC1=[C]2[C]([NH]C1)[CH]=[CH][CH]=C2 [NH3][C@@H](CC1=C2C=CC=C[C]2NC1)[C@@H]3O[C@@H](SCC(=O)[C]4[CH][CH][C](Cl)[CH][CH]4)N=N3 InChIKey=GNVITDZPFIMUGC-VDGAXYAQSA-N InChI=1S/C20H21ClN4O2S/c21-14-7-5-12(6-8-14)18(26)11-28-20-25-24-19(27-20)16(22)9-13-10-23-17-4-2-1-3-15(13)17/h1-8,16,19-20,23H,9-11H2,22H3/t16-,19-,20-/m0/s1 InChI=1/C20H21ClN4O2S/c21-14-7-5-12(6-8-14)18(26)11-28-20-25-24-19(27-20)16(22)9-13-10-23-17-4-2-1-3-15(13)17/h1-8,16,19-20,23H,9-11H2,22H3/t16-,19-,20-/m0/s1 2660.7299698763 -1993.5098562 1-A 23227.5925 108 362 470 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462.5872 484.1164 497.2043 522.4753 527.0378 539.4254 569.5227 576.2923 590.2705 603.0776 638.8327 657.6988 690.8931 702.2375 749.3079 777.7368 787.4771 789.6024 816.9721 826.9581 839.1820 850.3102 863.6952 870.9829 915.1361 921.6189 936.4477 950.3854 953.0898 959.0645 963.0362 1022.3615 1026.3085 1029.9088 1041.8560 1054.0807 1065.2511 1076.6422 1079.2367 1084.4568 1114.5960 1115.1270 1124.4186 1128.9401 1140.9221 1163.9441 1171.3300 1191.7991 1208.1753 1213.3891 1224.2707 1253.4805 1262.3419 1284.7411 1288.8064 1293.7067 1308.6423 1312.6450 1316.4771 1335.9741 1336.4364 1389.1097 1411.9659 1414.3075 1430.8632 1449.4512 1461.2061 1472.3023 1488.1512 1496.0156 1527.4521 1538.0464 1543.0729 1557.7030 1560.3956 1578.7613 1589.4039 1597.7429 1609.6869 1612.5086 1672.0617 1674.0941 1678.0055 1754.7375 1758.1322 1787.7058 1797.1510 1811.4348 1837.2561 1853.4952 1906.0244 1988.4816 3226.7043 3232.1028 3240.3460 3264.1805 3272.8623 3297.6939 3303.2043 3306.7505 3310.9120 3373.8880 3396.5194 3400.7769 3407.4377 3408.6297 3414.0686 3420.4075 3422.2856 3597.1854 3685.3091 3726.4830 3833.5078 6.1333 6.3555 4.9315 4.4374 5.0902 5.5624 6.2957 8.0587 6.0254 4.9856 3.5527 5.3827 5.4969 5.8760 6.2956 2.9455 7.1989 6.2246 1.2074 3.7320 5.6499 3.2708 4.3263 7.4667 3.8053 2.8025 4.4000 2.9321 6.9875 3.6956 3.4104 3.2890 3.4145 5.2321 3.9965 7.4809 4.1991 4.3516 2.3942 1.1761 7.0914 4.4357 6.9555 4.2109 4.1659 3.6275 4.4099 4.5183 3.2958 3.3156 1.9840 6.8865 4.3263 1.3836 3.3705 2.2914 2.2129 1.3173 3.2356 3.0373 1.8841 2.1823 2.5987 4.2241 2.5246 2.0958 2.9772 1.5919 3.2371 4.1067 1.2852 1.3650 2.8848 1.4085 2.5405 2.4280 1.8146 3.6260 1.7304 2.6071 2.2202 1.5236 1.1333 3.1806 1.2639 1.2255 1.1331 2.2711 1.7124 1.3296 1.2278 1.3518 1.7680 1.3483 1.3609 1.6369 1.4535 1.7919 1.3695 1.4579 1.8307 2.6350 1.6994 2.4127 1.6657 1.2645 1.0972 1.1310 2.2758 1.7225 1.8891 4.9492 6.3412 4.8355 5.1940 1.0516 1.0491 6.1271 12.1247 12.4641 1.0625 1.0670 1.0596 1.0870 1.1056 1.0956 1.1062 1.0886 1.0916 1.0896 1.0910 1.0919 1.0916 1.0956 1.0989 1.0996 1.0963 1.0354 1.0939 1.0935 1.0826 0.0005 0.0006 0.0012 0.0022 0.0034 0.0093 0.0124 0.0229 0.0291 0.0320 0.0304 0.0482 0.0687 0.1100 0.1317 0.0706 0.2120 0.2360 0.0525 0.1697 0.2657 0.1615 0.2323 0.5419 0.3274 0.2508 0.4847 0.3571 0.8810 0.5103 0.4967 0.5290 0.5588 0.8970 0.7637 1.4638 0.8620 0.9325 0.5757 0.2997 1.9944 1.2888 2.3009 1.5007 1.5221 1.3325 1.7342 1.8205 1.3675 1.4124 0.8720 3.0780 2.1347 0.6924 1.7415 1.2194 1.1844 0.7139 1.7680 1.8705 1.1692 1.3638 1.6620 2.7652 1.6879 1.4314 2.0431 1.1030 2.3694 3.0088 0.9574 1.0250 2.2125 1.1243 2.0537 2.0319 1.5606 3.1454 1.5281 2.4135 2.0844 1.4817 1.1091 3.1364 1.2753 1.2441 1.1570 2.3883 1.8020 1.5116 1.4422 1.5931 2.1327 1.6689 1.7120 2.0906 1.8965 2.3629 1.8826 2.0320 2.5683 3.7671 2.4380 3.5431 2.4793 1.9018 1.6750 1.7326 3.7488 2.8443 3.1339 8.9786 11.5484 9.1050 9.8837 2.0330 2.0865 12.4019 25.9524 29.0371 6.5180 6.5672 6.5547 6.8240 6.9778 7.0200 7.1113 7.0133 7.0503 7.3074 7.4156 7.4404 7.4672 7.4999 7.5466 7.5793 7.5652 7.8939 8.7533 8.9470 9.3733 0.8789 2.4616 2.7138 1.6822 1.9935 1.8167 4.9968 0.3587 6.6099 3.7564 5.3030 4.2435 3.1268 4.9552 12.4862 6.2406 16.5832 15.4713 4.4558 1.2620 1.1500 9.6078 3.0611 1.7556 27.3205 18.4193 35.8388 0.1013 3.5150 0.7937 6.7455 4.5815 2.9078 8.2097 31.5046 31.3941 3.8592 10.9829 16.2439 80.3046 2.2431 0.8276 10.8497 13.0421 26.6891 1.6756 9.3632 11.3988 8.0258 54.8989 68.0653 15.5421 34.8467 32.3525 3.0986 8.2505 5.8527 24.8063 42.9351 18.1291 2.2299 22.5108 14.2721 10.3637 99.6390 11.2989 87.9777 22.5214 10.9132 39.3685 0.1966 0.0380 1.5976 2.2761 114.0753 26.9199 0.4900 138.9224 50.7074 146.1448 131.9643 23.9074 5.0583 31.2008 18.5538 2.6593 4.1747 124.1058 6.9488 12.5779 35.2677 22.7441 12.8597 4.1168 77.7075 60.2464 17.8738 20.3501 12.1805 20.8456 61.0162 37.2662 59.0612 77.5924 48.1939 0.2516 34.4319 11.0242 20.9102 252.2527 165.4436 32.6001 30.4963 28.8750 153.6480 52.4347 86.5104 327.0963 15.8400 232.9924 2.7761 2.4708 15.6913 10.2257 1.6223 0.7022 2.8302 1.8188 1.4523 25.9527 0.3481 1.3896 0.0558 3.5748 2.5501 3.5300 0.8277 79.7690 132.6329 142.5710 270.8042 7.3681 4.1274 3.6628 5.4595 2.0571 1.4949 1.1194 1.4267 0.1332 2.0542 0.8604 1.3832 1.3050 0.3249 2.3796 1.0569 0.5430 1.7134 0.3461 1.6365 2.6522 0.6829 1.2254 2.5036 0.6479 1.5295 0.8074 0.0080 0.5044 3.2168 2.1810 0.3373 0.5039 2.4636 7.0636 0.9175 5.1570 4.5019 0.9591 0.5990 9.4408 4.8546 16.3967 2.5402 9.8230 1.1051 4.5514 6.8138 5.4798 28.3832 9.9695 4.5549 20.1273 1.2946 6.7229 2.5075 2.5937 1.4359 3.2407 2.1387 0.6205 1.8170 22.7174 3.0293 9.5690 1.0211 2.9087 1.7791 1.7611 4.2009 3.9597 0.5935 4.2894 4.9889 23.4365 4.7753 0.4863 39.5859 6.9648 2.9122 3.0903 10.9297 14.1728 18.2750 10.6809 17.9424 9.2504 40.7082 21.4032 2.8428 20.0324 4.8691 93.9525 1.4456 14.2726 13.3406 2.0644 1.5572 20.7594 15.3072 33.7103 4.0112 9.5251 2.6566 104.7900 65.1169 13.8527 22.7188 3.1991 118.7945 233.7086 82.4167 13.5464 24.0246 234.7420 5.7876 4.6298 265.6334 55.6095 86.2753 85.7265 209.9067 32.1055 59.0197 104.1948 56.9257 23.6769 106.5543 11.6294 71.6475 29.2461 92.8872 58.3551 78.4246 109.9764 234.4296 111.4883 55.5398 18.4357 40.4772 99.6149 0.7499 0.7463 0.7489 0.7458 0.7036 0.7326 0.7400 0.7464 0.6716 0.7076 0.7457 0.4696 0.5947 0.7224 0.2527 0.7443 0.4511 0.5228 0.5642 0.5788 0.7500 0.7340 0.3108 0.4301 0.4434 0.4842 0.7418 0.3376 0.6849 0.1859 0.4885 0.7356 0.7495 0.5195 0.2305 0.4759 0.7443 0.5011 0.7319 0.6215 0.7147 0.5369 0.2770 0.7431 0.0677 0.2852 0.4988 0.7496 0.7473 0.2145 0.1536 0.7443 0.0888 0.5360 0.7482 0.7169 0.7386 0.7493 0.5639 0.5627 0.7431 0.3999 0.5630 0.5113 0.7500 0.6354 0.2779 0.5695 0.5618 0.5348 0.7487 0.7499 0.7320 0.7289 0.4255 0.4400 0.5508 0.1369 0.5401 0.7495 0.3764 0.1740 0.6243 0.2050 0.1511 0.3409 0.5820 0.2484 0.7487 0.6766 0.5153 0.5443 0.2574 0.7458 0.7463 0.1138 0.7465 0.7498 0.5203 0.2740 0.1666 0.1681 0.3584 0.5536 0.4324 0.2358 0.4482 0.3644 0.2734 0.1583 0.1870 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0.5922 0.6203 0.8008 0.8237 0.5298 0.4104 0.4535 0.5774 0.1545 0.2422 0.2247 0.8529 0.5799 0.8406 0.4515 0.2049 0.5814 0.6218 0.8571 0.6998 0.3439 0.6035 0.2190 0.2977 0.0684 0.8548 0.6905 0.5158 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 6 6 6 6 7 1 6 6 6 6 6 6 1 6 1 7 7 6 1 8 16 6 6 8 6 6 6 6 6 6 17 7 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 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 14.00307 14.00307 12.00000 1.00783 15.99491 31.97207 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 14.00307 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 6892.4642 38334.4806 43010.0940 0.99998 -0.00634 0.00023 0.00634 0.99997 0.00405 -0.00026 -0.00404 0.99999 1 0.01257 0.00226 0.00201 0.26184 0.04708 0.04196 17.00 18.53 29.71 41.62 48.68 76.85 83.31 99.81 130.23 150.19 173.38 177.34 209.60 256.44 271.14 290.10 321.68 365.01 390.68 399.72 406.45 416.57 434.32 504.98 549.79 560.73 622.13 654.13 665.56 696.54 715.37 751.73 758.29 776.11 819.42 829.16 849.27 867.69 919.14 946.28 994.04 1010.36 1078.09 1118.99 1133.00 1136.06 1175.44 1189.81 1207.40 1223.41 1242.66 1253.15 1316.68 1326.00 1347.34 1367.39 1371.28 1379.88 1385.59 1470.95 1476.63 1481.81 1499.00 1516.59 1532.66 1549.05 1552.78 1560.29 1603.66 1604.42 1617.79 1624.29 1641.53 1674.66 1685.28 1714.73 1738.29 1745.80 1761.45 1803.48 1816.23 1848.46 1854.30 1861.36 1882.84 1888.60 1894.12 1922.17 1922.83 1998.62 2031.50 2034.87 2058.69 2085.44 2102.35 2118.31 2141.12 2152.43 2197.66 2212.91 2220.14 2241.19 2245.06 2271.49 2286.80 2298.80 2315.98 2320.04 2405.72 2408.65 2414.28 2524.68 2529.56 2572.11 2585.70 2606.25 2643.40 2666.77 2742.34 2860.98 4642.51 4650.28 4662.14 4696.43 4708.92 4744.65 4752.57 4757.68 4763.66 4854.27 4886.83 4892.96 4902.54 4904.26 4912.08 4921.20 4923.91 5175.55 5302.34 5361.58 5515.56 0.422014 0.446042 0.446986 0.362139 -1993.087842 -1993.063814 -1993.062870 -1993.147717 2.845782D-04 MUNgauss RevisionA2.0 retrievium 01-Aug-2020 DUDE c1ccc2=[NH+]CC(=c2c1)C[C@@H]([C@H]3N=N[C@@H](O3)SCC(=O)c4ccc(cc4)Cl)[NH3+] C64428710 RHF 6-31G(d) (6D,10F) C1 416.107376 |X|Y|Z| 139.212143 55.667606 27.341768 59.616813 25 6 7 8 16 20 3 1 1 |36.858105| |13.062208|36.858105| |7.688048|14.090960|36.858105| |6.819554|8.087774|13.439478|36.858105| |4.667523|5.274807|7.738875|14.582138|53.358707| |3.956062|4.655636|6.835172|9.300319|25.931777|0.500000| |4.103751|4.152968|5.193831|8.359751|17.928915|0.244356|36.858105| |5.140708|4.644162|5.277840|8.396564|11.259056|0.161669|12.642006|36.858105| |7.948167|6.842912|7.585416|13.034242|11.476683|0.164010|8.199006|14.140136|36.858105| |14.254104|7.821369|6.569143|7.598527|7.192659|0.117380|5.059514|7.403393|13.117023|36.858105| |4.149820|3.584533|3.789003|5.082961|6.897193|0.112864|7.189363|12.631312|7.422799|5.811507|36.858105| |3.355512|2.985608|3.154912|4.020129|5.673584|0.097807|5.699981|7.365945|5.172701|4.339454|12.394255|36.858105| |3.085257|2.858705|3.114737|3.998665|5.998880|0.105245|6.287715|6.834555|4.771991|3.843914|8.706086|17.622691|0.500000| |2.766609|2.465744|2.553123|3.091889|4.337447|0.077799|4.085120|4.855163|3.793586|3.426094|7.452601|12.417730|0.247973|36.858105| |2.590916|2.348030|2.459299|2.980468|4.276833|0.077552|4.083544|4.604648|3.562232|3.163820|6.798342|8.898218|0.215915|17.568144|0.500000| |2.822671|2.439855|2.446290|2.882102|3.877806|0.069638|3.465291|4.296788|3.607056|3.496479|6.432743|7.712211|0.156272|12.997110|0.253147|53.358707| |2.486591|2.171421|2.162033|2.484776|3.341240|0.061061|2.896329|3.445505|3.009361|2.976051|4.646715|5.673242|0.126784|8.663031|0.184467|21.387977|53.358707| |2.246933|2.013504|2.037813|2.342205|3.222050|0.059629|2.803560|3.183450|2.750780|2.643036|4.100879|5.476726|0.133154|8.430378|0.181745|11.675235|17.721476|36.858105| |2.204241|1.976376|1.986980|2.255890|3.076073|0.057168|2.621460|2.967620|2.628518|2.561358|3.667108|4.820891|0.119617|6.269150|0.137465|8.805162|12.516761|17.631596|0.500000| |2.426938|2.197374|2.270697|2.680278|3.773562|0.069266|3.414722|3.836418|3.157422|2.903012|5.082317|7.994441|0.200377|13.858199|0.257057|11.482159|11.469931|13.347621|0.258802|73.516695| |1.871836|1.707992|1.733600|1.959532|2.722581|0.051365|2.326947|2.536571|2.229423|2.144415|3.110558|3.807759|0.099196|5.294902|0.139099|7.223660|9.406585|10.635495|0.228888|12.303441|388.023441| |1.867906|1.707381|1.740009|1.976277|2.763212|0.052149|2.384034|2.584565|2.248052|2.146897|3.215743|3.712903|0.096469|5.285200|0.159091|7.321980|8.298965|6.772083|0.141905|10.050121|74.414731|36.858105| |1.627499|1.505313|1.534076|1.717515|2.406634|0.046027|2.035668|2.158556|1.913088|1.835349|2.575476|2.881842|0.076959|3.735788|0.112062|5.125068|5.672454|4.572680|0.107072|7.107232|50.183987|12.434892|36.858105| |1.526410|1.417734|1.442952|1.603973|2.244731|0.043143|1.879265|1.981151|1.772891|1.707217|2.322687|2.624487|0.070803|3.303044|0.095727|4.496151|5.086666|4.276616|0.105318|6.549291|49.702737|8.109833|15.991704|73.516695| |1.552602|1.443808|1.473012|1.641453|2.304188|0.044303|1.936003|2.033249|1.812732|1.739038|2.391210|2.573314|0.069067|3.210048|0.098953|4.421568|4.648104|3.523653|0.084318|5.774704|32.869344|7.333362|12.809502|14.389139|36.858105| |1.394430|1.306847|1.332739|1.470318|2.064141|0.040022|1.710110|1.775988|1.603059|1.543005|2.039673|2.179083|0.059151|2.618177|0.079155|3.584593|3.769142|2.880203|0.071440|4.764384|26.301960|4.937823|7.723954|12.149023|13.673684|36.858105| |1.325269|1.248100|1.273078|1.396816|1.961133|0.038206|1.611689|1.662746|1.511371|1.456544|1.884265|1.971060|0.053651|2.310149|0.070073|3.167376|3.261238|2.438560|0.061107|4.115101|21.011331|3.805134|5.082547|8.126442|7.906179|13.800141|36.858105| |1.380912|1.299760|1.326511|1.457817|2.046851|0.039831|1.684469|1.738801|1.578947|1.520018|1.972381|2.023178|0.054842|2.358532|0.072576|3.249682|3.271715|2.386204|0.059313|4.084900|19.752693|3.663283|4.478560|6.812568|6.883583|7.981519|13.744746|36.858105| |1.532668|1.433139|1.463426|1.622562|2.277945|0.044004|1.896735|1.975378|1.776107|1.704557|2.280971|2.321883|0.062335|2.756276|0.086671|3.824522|3.787636|2.707171|0.065906|4.656165|22.042497|4.359446|5.022910|7.111041|7.904774|6.862931|7.895042|13.751809|36.858105| |1.641157|1.522930|1.554937|1.739587|2.441962|0.046809|2.061218|2.171509|1.928481|1.846151|2.570848|2.682385|0.071411|3.326794|0.105793|4.630027|4.653735|3.353149|0.079435|5.663948|28.412798|6.373952|7.526537|9.376078|13.693288|7.934444|6.867195|7.984287|13.789888|36.858105| |1.276075|1.209771|1.234067|1.343672|1.884440|0.036928|1.529973|1.566415|1.439105|1.389542|1.741568|1.756986|0.047842|1.988780|0.060595|2.737518|2.727426|1.974653|0.049891|3.421776|15.790958|2.764009|3.183687|5.077414|4.235594|4.787180|7.058857|11.010623|7.070164|4.790455|448.794386| |3.481930|3.044631|3.126241|3.825141|5.131130|0.089588|4.626472|5.937020|4.887324|4.429935|7.541089|12.595252|0.254974|7.809082|0.156436|8.873548|7.523174|5.438457|0.149068|12.575624|25.867559|3.277071|2.607566|4.348599|2.298583|1.982650|1.790374|1.813216|2.041327|2.339584|12.736069|53.358707| |3.613531|3.045916|3.021757|3.593513|4.642231|0.081387|4.022528|5.323874|4.697471|4.628311|6.898645|9.031556|0.179987|7.098178|0.143221|9.914589|8.518930|5.550701|0.155321|11.231778|25.950793|3.279470|2.602524|4.335109|2.294262|1.976169|1.785065|1.810040|2.040941|2.340075|12.715350|25.586907|0.500000| |3.854926|3.408562|3.533573|4.361606|5.765219|0.099587|5.028086|6.398245|5.522670|4.884357|6.802646|8.955983|0.219757|5.678886|0.125899|6.701451|5.846325|4.247943|0.119087|9.356273|21.820735|2.801029|2.298731|3.865416|2.058717|1.801725|1.643818|1.667311|1.861366|2.099210|11.856926|25.652456|0.323597|0.500000| |2.963040|2.654469|2.733036|3.253852|4.457465|0.080160|3.939218|4.632828|3.918699|3.598956|5.617374|9.194247|0.225802|7.422620|0.149331|8.136816|7.616579|6.220622|0.180747|14.930790|28.653393|3.422459|2.724289|4.616091|2.352302|2.034877|1.818923|1.819590|2.031611|2.345613|12.705674|25.538092|0.324061|0.322870|0.500000| |17.752270|8.746343|5.582835|4.930240|5.030711|0.090062|3.355049|4.103709|5.621858|9.071547|3.565466|2.977037|0.075617|2.539911|0.065967|3.611747|3.237932|2.134586|0.058583|4.012226|12.749264|1.783697|1.563777|2.616083|1.493627|1.346749|1.281998|1.334123|1.475255|1.575107|9.926326|4.269866|0.092555|0.094594|0.075481|0.500000| |8.762716|17.724876|9.094183|5.704437|5.724915|0.108679|3.397893|3.680194|4.938454|5.642591|2.987298|2.562699|0.068554|2.171362|0.057659|2.944633|2.661270|1.821658|0.049944|3.491483|11.134933|1.562572|1.391285|2.340195|1.338848|1.220097|1.169445|1.216153|1.332707|1.408114|9.141373|3.582380|0.073564|0.080933|0.065010|0.215463|0.500000| |5.506120|8.951425|17.752493|8.753254|9.255314|0.193398|4.543847|4.285718|5.460493|4.795026|3.218481|2.771370|0.077499|2.288589|0.061826|2.964364|2.651462|1.859175|0.050465|3.673605|11.417758|1.612299|1.436103|2.410987|1.384586|1.261304|1.209511|1.258894|1.380380|1.457844|9.457458|3.725259|0.072983|0.085177|0.067949|0.123020|0.216426|0.500000| |3.534075|3.582313|4.369190|6.281652|12.398683|0.207215|17.551575|8.723411|6.154031|4.235168|6.302128|5.966520|0.206027|4.212990|0.115841|4.656960|3.963800|2.919446|0.076303|6.501917|17.202619|2.432846|2.078109|3.437069|1.954627|1.730130|1.619676|1.676946|1.876330|2.052775|12.164340|6.677696|0.113106|0.150167|0.119862|0.082472|0.083776|0.110365|0.500000| |3.590280|3.629454|4.416469|6.362505|12.392568|0.206412|17.539343|8.852789|6.261580|4.312288|6.465117|5.086901|0.154847|3.948228|0.115523|4.567393|3.809183|2.702258|0.069124|5.803326|16.349385|2.423406|2.082541|3.386990|2.010239|1.773256|1.683016|1.776063|2.012132|2.169708|12.993077|5.399182|0.098074|0.113901|0.096368|0.083727|0.084735|0.111143|0.300896|0.500000| |9.062388|5.570294|4.794492|5.463982|5.816642|0.097789|4.397104|6.510547|8.655220|17.743528|6.121549|4.579629|0.107507|3.725548|0.093795|5.456245|4.598093|2.895174|0.077790|5.536984|16.438325|2.311713|1.955128|3.221085|1.842938|1.624176|1.526244|1.592469|1.794993|1.958517|11.610856|6.475336|0.147208|0.138806|0.106057|0.216785|0.123973|0.104865|0.105697|0.107698|0.500000| |3.604267|3.207705|3.423300|4.477314|6.351761|0.107433|6.669781|9.025217|5.889349|4.747592|17.531749|8.995607|0.206046|7.176834|0.214821|8.332563|6.021317|3.918988|0.094679|8.536671|22.170319|3.402762|2.725505|4.290208|2.580146|2.179832|2.025521|2.149898|2.526856|2.843175|15.198534|7.577122|0.144113|0.139137|0.127175|0.087568|0.075643|0.082787|0.160303|0.193608|0.137164|0.500000| |4.489791|3.648252|3.655363|4.638511|5.864135|0.097993|5.398004|8.895659|7.010823|6.535157|17.606919|8.826952|0.172594|6.703429|0.163585|9.676700|6.839786|4.107955|0.103060|8.378847|21.966078|3.185241|2.548355|4.084759|2.367384|2.018314|1.866169|1.956229|2.265312|2.551383|13.881902|9.523066|0.208040|0.172550|0.145178|0.109755|0.084862|0.085382|0.132027|0.137632|0.218134|0.306405|0.500000| |1.938863|1.783766|1.838868|2.114524|2.999914|0.056568|2.638163|2.820952|2.399876|2.243915|3.545338|4.135851|0.109781|6.033748|0.201886|7.490990|7.660190|6.309914|0.131241|10.975996|55.765548|17.578651|8.884086|11.192846|6.632826|4.582343|3.677478|3.647499|4.438343|6.386616|22.321745|4.709492|0.093532|0.082101|0.099558|0.050897|0.045097|0.047350|0.075195|0.075437|0.066450|0.107091|0.094545|0.500000| |1.950888|1.762955|1.779963|2.016521|2.784026|0.052230|2.390600|2.647548|2.322236|2.251421|3.340919|3.713210|0.093351|5.258874|0.155887|8.210442|9.331986|6.356209|0.134979|9.180960|55.903779|17.605211|8.830895|11.045702|6.665340|4.559389|3.672774|3.667939|4.509074|6.557440|22.426605|4.469283|0.093862|0.077835|0.092749|0.052029|0.044789|0.045558|0.066581|0.067538|0.068287|0.098641|0.094763|0.299549|0.500000| |1.337136|1.255480|1.279383|1.406615|1.973233|0.038344|1.627268|1.686753|1.528726|1.474159|1.924616|2.079319|0.056698|2.481208|0.073677|3.381978|3.613080|2.823502|0.071260|4.625151|26.458163|4.578229|7.222371|13.723212|8.928443|17.757933|8.937717|5.665198|4.949968|5.651884|31.662682|2.615183|0.053150|0.048618|0.055320|0.035933|0.032635|0.033698|0.046017|0.046523|0.043043|0.056432|0.052874|0.115738|0.114505|0.500000| |1.233352|1.166518|1.189223|1.297084|1.820050|0.035617|1.483664|1.523183|1.394089|1.346422|1.706162|1.782497|0.048742|2.056546|0.061691|2.812680|2.901638|2.179919|0.055450|3.688275|18.594406|3.197862|4.138602|7.024239|5.628212|8.914076|17.757446|8.918900|5.633471|4.952163|53.900168|2.226902|0.045290|0.042017|0.046263|0.033218|0.030484|0.031505|0.041485|0.042923|0.039053|0.050583|0.046938|0.085901|0.085602|0.214582|0.500000| |1.573815|1.472651|1.503859|1.666343|2.336951|0.045144|1.941079|2.020651|1.821741|1.748596|2.321062|2.307393|0.061780|2.691418|0.085040|3.749670|3.631261|2.544333|0.062145|4.440928|19.890718|3.813286|4.081133|5.927793|5.626298|4.949890|5.634319|8.925754|17.756224|8.901728|54.066350|2.741340|0.056008|0.051290|0.055041|0.042056|0.038033|0.039397|0.052788|0.057714|0.051062|0.072260|0.064181|0.110077|0.112241|0.107526|0.124177|0.500000| |1.807480|1.664212|1.699094|1.919028|2.689668|0.051102|2.299639|2.456168|2.156241|2.058259|2.981918|3.086623|0.080866|3.934618|0.128815|5.551963|5.420928|3.772613|0.087081|6.432107|30.445677|7.223298|6.858959|8.548828|8.848525|5.628123|4.949919|5.685479|9.014988|17.725311|31.810123|3.579125|0.073265|0.064842|0.072399|0.047991|0.042460|0.043943|0.063164|0.067468|0.061059|0.093241|0.082451|0.212341|0.225256|0.123877|0.107528|0.216936|0.500000| 1991.781030 -9969.094936 3529.620614 -206.546769 -4654.240061 2660.730161 -1993.509900 2.000868 40A8900000000002 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