Version2.4 2021-05-26T03:32:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COC(=O)[C@@H]1[C@@H](C(=C(N=C1[O-])SCC(=O)Nc2cccc(c2)Cl)C#N)c3ccc(cc3)Cl C08969909 RHF 6-31G(d) (6D,7F) COC(=O)[C@@H]1[C@@H](C(=C(N=C1[O-])SCC(=O)Nc2cccc(c2)Cl)C#N)c3ccc(cc3)Cl C01[X(C22H16Cl2N3O4S1)] 138 C1 524 COC(=O)[C@H]1C(=NC(=C([C@H]1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cccc(c1)Cl)[O-] COC(=O)[C@H]1C(=NC(=C([C@H]1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cccc(c1)Cl)[O-] COC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C(=C(SCC(=O)Nc3cccc(Cl)c3)N=C1[O-])C#N InChIKey=OPHMPPRDDYTLAQ-RTBURBONSA-M InChI=1S/C22H17Cl2N3O4S/c1-31-22(30)19-18(12-5-7-13(23)8-6-12)16(10-25)21(27-20(19)29)32-11-17(28)26-15-4-2-3-14(24)9-15/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)/p-1/t18-,19-/m1/s1 InChI=1/C22H17Cl2N3O4S/c1-31-22(30)19-18(12-5-7-13(23)8-6-12)16(10-25)21(27-20(19)29)32-11-17(28)26-15-4-2-3-14(24)9-15/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)/p-1/t18-,19-/m1/s1/fC22H16Cl2N3O4S/h26H/q-1 COC(=O)[C@@H]1[C@@H](C(=C(N=C1[O-])SCC(=O)Nc2cccc(c2)Cl)C#N)c3ccc(cc3)Cl C01[X(C22H16Cl2N3O4S1)] 138 C01 524 COC(=O)[C@H]1C(=NC(=C([C@H]1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cccc(c1)Cl)[O-] COC(=O)[C@H]1[C](=O)[N][C]([C]([C@H]1[C]1[CH][CH][C]([CH][CH]1)Cl)C#N)SCC(=O)N[C]1[CH][CH][CH][C]([CH]1)Cl COC(=O)[C@@H]1[C@H]([C]2[CH][CH][C](Cl)[CH][CH]2)[C](C#N)[C]([N]C1=O)SCC(=O)N[C]3[CH][CH][CH][C](Cl)[CH]3 InChIKey=QIJFCYOMJRVWFE-RTBURBONSA-N InChI=1S/C22H16Cl2N3O4S/c1-31-22(30)19-18(12-5-7-13(23)8-6-12)16(10-25)21(27-20(19)29)32-11-17(28)26-15-4-2-3-14(24)9-15/h2-9,18-19H,11H2,1H3,(H,26,28)/t18-,19-/m1/s1 InChI=1/C22H16Cl2N3O4S/c1-31-22(30)19-18(12-5-7-13(23)8-6-12)16(10-25)21(27-20(19)29)32-11-17(28)26-15-4-2-3-14(24)9-15/h2-9,18-19H,11H2,1H3,(H,26,28)/t18-,19-/m1/s1/f/h26H 3386.4862279856 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488.02386 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 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 4.7216 15.3815 21.3348 28.3028 34.6487 37.0252 41.9349 49.0365 62.0460 67.6472 78.2149 90.7509 111.1711 114.2911 130.9330 146.9030 170.4630 177.5282 188.5764 196.2995 206.1471 219.5261 230.2106 256.1459 260.6115 265.8297 281.8146 304.2514 356.6429 362.4349 380.6594 394.0830 417.1349 438.2204 463.1459 464.3524 486.0619 494.4993 498.3519 557.0941 568.8593 595.2900 612.9635 619.9348 627.0069 633.9065 653.2578 687.9298 702.2450 712.7222 732.7354 737.4516 760.9524 775.3364 795.4978 805.4672 829.9783 859.0470 886.2260 887.2560 895.9079 905.1317 936.8663 950.1186 972.5074 978.2118 981.1045 1012.6126 1022.5519 1039.1012 1069.5143 1080.7709 1082.3962 1096.3297 1107.1272 1110.8509 1120.3377 1127.5018 1188.6838 1189.3622 1194.1356 1198.7956 1220.8152 1229.3943 1258.0679 1267.6735 1299.4256 1300.1549 1305.6768 1312.8939 1318.3218 1324.8195 1334.2730 1359.6665 1366.9907 1396.5254 1398.9024 1425.0743 1438.9949 1455.2991 1473.7248 1478.4095 1510.6446 1545.1731 1565.1030 1574.4611 1593.7158 1623.9263 1631.9320 1643.5403 1650.3342 1658.6946 1671.0146 1719.7720 1770.0097 1790.1571 1798.4358 1803.0568 1907.7418 1985.8051 1998.8783 2516.7591 3144.8248 3243.7441 3269.3441 3299.6256 3318.2639 3322.4576 3332.3444 3358.7684 3369.0330 3380.4975 3390.1827 3392.7264 3403.6982 3411.6536 3471.1401 3865.7880 12.6746 6.1628 10.1196 7.4911 5.8601 6.9134 6.3463 7.5764 6.9099 5.1444 3.3134 7.8275 9.9440 6.0802 6.5503 9.2496 2.8108 8.2267 1.6333 8.7264 5.7380 9.6317 6.4126 8.4458 7.6738 4.1208 10.8476 8.7244 5.8481 7.3208 5.5463 9.6265 6.1060 9.3974 3.0033 8.8634 8.7785 3.0771 10.8954 5.0404 1.3275 5.9010 7.0279 7.6908 2.1561 6.2028 4.1789 6.8529 8.0369 8.8516 7.4297 7.4977 2.2966 7.7597 6.2750 4.1740 6.4198 6.2061 6.4110 1.3382 4.6276 5.1241 1.5427 1.6068 5.0640 1.5422 4.5353 1.9724 1.3686 3.7513 5.0248 1.4265 6.1053 5.0533 1.6336 2.7084 1.3138 4.5858 2.3219 3.4898 2.1272 3.0307 1.8481 3.2050 2.8487 2.1260 1.2798 1.1276 1.2195 1.3502 2.4669 2.3174 3.0356 2.1329 3.5081 2.0362 2.0601 1.7469 1.5353 1.3542 1.7663 1.6915 3.2124 1.8927 2.4882 2.3097 1.1005 8.6253 1.2417 1.0491 1.0499 2.4113 2.2844 2.0196 6.2625 3.7155 5.5652 5.3890 11.8860 9.1567 11.1302 12.6846 1.0844 1.0292 1.0613 1.0867 1.1040 1.1082 1.1084 1.0900 1.0905 1.0929 1.0911 1.0950 1.0955 1.0951 1.0937 1.0782 0.0002 0.0009 0.0027 0.0035 0.0041 0.0056 0.0066 0.0107 0.0157 0.0139 0.0119 0.0380 0.0724 0.0468 0.0662 0.1176 0.0481 0.1528 0.0342 0.1981 0.1437 0.2735 0.2002 0.3265 0.3071 0.1716 0.5076 0.4758 0.4383 0.5666 0.4735 0.8808 0.6260 1.0633 0.3796 1.1260 1.2220 0.4433 1.5943 0.9217 0.2531 1.2321 1.5558 1.7415 0.4994 1.4685 1.0507 1.9108 2.3352 2.6492 2.3503 2.4024 0.7835 2.7484 2.3396 1.5955 2.6056 2.6984 2.9667 0.6207 2.1884 2.4734 0.7978 0.8546 2.8218 0.8695 2.5721 1.1916 0.8431 2.3864 3.3864 0.9818 4.2144 3.5786 1.1798 1.9692 0.9716 3.4348 1.9330 2.9086 1.7872 2.5662 1.6228 2.8540 2.6564 2.0129 1.2731 1.1230 1.2249 1.3712 2.5261 2.3964 3.1840 2.3232 3.8624 2.3398 2.3753 2.0902 1.8731 1.6898 2.2602 2.1782 4.3192 2.6625 3.5911 3.3734 1.6469 13.4016 1.9484 1.6696 1.6848 3.9087 3.7582 3.5192 11.5598 7.0153 10.6053 10.3223 25.4875 21.2747 26.2014 47.3379 6.3187 6.3802 6.6838 6.9708 7.1622 7.2078 7.2518 7.2453 7.2927 7.3586 7.3887 7.4262 7.4774 7.5097 7.7642 9.4937 0.4281 0.9085 0.4188 0.3777 1.5646 1.0418 7.0043 1.5254 0.5221 0.3640 9.8534 1.8332 0.6044 4.6221 8.5330 3.4352 3.4053 13.9715 2.4838 1.5772 0.0417 1.7867 2.6738 2.9447 0.8575 0.0907 4.9088 12.3282 0.3026 6.2195 23.0621 5.4356 1.8114 2.5213 0.0344 5.9320 8.7179 1.7426 8.6191 5.5817 90.8842 4.4865 3.2597 29.2753 6.8241 30.2580 2.5372 4.0102 4.6366 49.4725 7.2651 19.1394 11.2564 7.4435 4.2140 9.0356 27.6109 28.6664 12.0364 48.6839 39.5454 6.1829 16.6287 22.7899 41.6422 36.4357 7.1955 9.9275 4.4185 26.7785 4.8673 2.1245 20.2846 40.5151 17.8683 45.8638 2.8480 25.9847 22.6509 60.7310 1.3426 46.0302 21.3709 45.6290 11.0623 353.5693 2.7894 5.1276 2.3229 6.9622 6.1427 266.8984 14.9129 170.6528 51.1985 66.1151 260.6263 112.9633 60.9838 16.5645 228.6982 110.5143 720.8365 71.7460 108.1738 62.2931 37.7459 1170.4173 9.1814 0.9896 4.6664 231.6842 46.1062 369.0120 2.5076 176.7502 196.3085 3.8686 719.0632 196.2188 203.5414 246.9935 48.4309 45.3769 23.2707 12.3128 1.7915 34.2198 36.4358 14.2625 19.1977 4.4094 6.6176 14.9725 9.3623 1.5674 5.4985 32.8369 0.7824 3.6385 0.2495 1.7735 0.9887 0.7764 2.2869 1.7605 1.5982 6.7675 2.9510 1.0064 3.6105 0.5240 1.9719 0.5391 0.5605 1.0756 0.3204 0.2753 1.1782 0.3131 1.8414 1.5984 0.4433 2.5512 2.1494 2.7263 4.1461 0.3760 1.2082 0.5535 6.9089 5.6042 0.2067 3.7528 3.9038 0.1297 5.0042 1.2183 1.0105 4.2418 5.9718 1.5200 0.0484 4.2771 0.6213 4.0258 3.5855 2.2776 8.8163 14.0755 0.9881 1.2206 0.6750 2.0754 4.0157 4.7981 28.5398 1.1443 9.9346 0.4561 1.2561 1.2468 9.8266 1.5892 1.3901 1.3162 0.6586 4.3430 0.7673 0.7916 55.1545 6.7619 0.6239 2.3140 0.8026 8.6961 2.4499 7.4834 0.3615 15.6220 2.8536 12.8970 3.1685 4.2521 5.8978 11.6958 1.9677 5.6108 14.8624 5.7960 7.6435 1.2691 2.8092 18.5989 11.3225 4.2439 3.5648 0.1919 15.3341 7.9733 26.8561 1.2939 5.4756 1.9375 6.8330 49.1946 4.4838 17.3131 10.5249 7.3306 0.2820 15.0045 5.7925 4.9153 107.6327 57.9315 45.0397 14.7946 3.0329 256.7394 73.4433 93.8514 58.9980 60.0666 28.5925 33.8280 74.5197 50.8662 87.6993 54.7669 59.3720 129.4669 142.6586 84.6062 50.5399 51.9037 0.7481 0.7476 0.7478 0.7456 0.7399 0.7295 0.7478 0.7480 0.7279 0.7481 0.7436 0.5514 0.6745 0.2011 0.2961 0.4313 0.5289 0.4029 0.5896 0.3324 0.7496 0.1218 0.7089 0.6770 0.6727 0.7498 0.6175 0.6068 0.5342 0.7418 0.3648 0.4153 0.3271 0.2246 0.3622 0.3477 0.3158 0.7499 0.4507 0.2645 0.7368 0.4860 0.7333 0.5062 0.6509 0.1103 0.7479 0.7488 0.5989 0.2868 0.5229 0.0947 0.7493 0.7484 0.4048 0.6910 0.5013 0.3367 0.2789 0.7500 0.0653 0.6093 0.7205 0.7453 0.1127 0.7483 0.4773 0.7237 0.7494 0.7401 0.6216 0.7419 0.1539 0.6050 0.2972 0.1990 0.7500 0.5685 0.5824 0.1550 0.5826 0.0963 0.4370 0.7342 0.7386 0.4932 0.7108 0.7390 0.6340 0.2268 0.1434 0.3672 0.3620 0.5206 0.5364 0.1299 0.2348 0.7053 0.5785 0.5822 0.4915 0.6144 0.6533 0.7429 0.5103 0.7500 0.5305 0.3212 0.6885 0.7268 0.7297 0.2726 0.7458 0.4932 0.7475 0.7500 0.4833 0.5199 0.2864 0.2014 0.2529 0.3231 0.2350 0.0201 0.0199 0.2959 0.6689 0.7064 0.6825 0.4539 0.4493 0.2859 0.5727 0.2191 0.2279 0.1426 0.2157 0.1569 0.8559 0.8556 0.8557 0.8543 0.8505 0.8436 0.8557 0.8558 0.8425 0.8559 0.8530 0.7108 0.8056 0.3348 0.4569 0.6027 0.6919 0.5743 0.7418 0.4990 0.8569 0.2171 0.8297 0.8074 0.8043 0.8570 0.7635 0.7553 0.6964 0.8517 0.5346 0.5869 0.4930 0.3669 0.5317 0.5160 0.4800 0.8571 0.6213 0.4184 0.8485 0.6541 0.8461 0.6722 0.7885 0.1988 0.8557 0.8563 0.7491 0.4457 0.6867 0.1731 0.8567 0.8561 0.5763 0.8173 0.6678 0.5038 0.4362 0.8571 0.1227 0.7572 0.8375 0.8541 0.2026 0.8560 0.6462 0.8397 0.8568 0.8506 0.7667 0.8518 0.2667 0.7539 0.4582 0.3319 0.8571 0.7249 0.7361 0.2683 0.7362 0.1756 0.6082 0.8467 0.8497 0.6606 0.8309 0.8499 0.7760 0.3698 0.2509 0.5371 0.5316 0.6848 0.6983 0.2299 0.3803 0.8272 0.7330 0.7360 0.6591 0.7611 0.7903 0.8525 0.6758 0.8571 0.6932 0.4862 0.8155 0.8418 0.8437 0.4284 0.8544 0.6606 0.8555 0.8571 0.6516 0.6841 0.4452 0.3352 0.4037 0.4884 0.3806 0.0395 0.0389 0.4566 0.8016 0.8280 0.8113 0.6244 0.6200 0.4447 0.7283 0.3595 0.3713 0.2496 0.3548 0.2713 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 6 8 6 8 6 1 6 1 6 6 7 6 8 16 6 6 8 7 6 6 6 6 6 6 17 6 7 6 6 6 6 6 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 15.99491 12.00000 15.99491 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 15.99491 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 5983.0084 50638.2171 53961.8240 0.99997 -0.00760 0.00100 0.00759 0.99992 0.01034 -0.00108 -0.01033 0.99995 1 0.01448 0.00171 0.00161 0.30164 0.03564 0.03344 6.79 22.13 30.70 40.72 49.85 53.27 60.33 70.55 89.27 97.33 112.53 130.57 159.95 164.44 188.38 211.36 245.26 255.42 271.32 282.43 296.60 315.85 331.22 368.54 374.96 382.47 405.47 437.75 513.13 521.46 547.68 567.00 600.16 630.50 666.36 668.10 699.33 711.47 717.02 801.53 818.46 856.49 881.92 891.95 902.12 912.05 939.89 989.78 1010.37 1025.45 1054.24 1061.03 1094.84 1115.54 1144.54 1158.89 1194.15 1235.98 1275.08 1276.56 1289.01 1302.28 1347.94 1367.01 1399.22 1407.43 1411.59 1456.92 1471.22 1495.03 1538.79 1554.99 1557.33 1577.37 1592.91 1598.27 1611.92 1622.22 1710.25 1711.23 1718.09 1724.80 1756.48 1768.82 1810.08 1823.90 1869.58 1870.63 1878.58 1888.96 1896.77 1906.12 1919.72 1956.26 1966.79 2009.29 2012.71 2050.36 2070.39 2093.85 2120.36 2127.10 2173.48 2223.16 2251.83 2265.30 2293.00 2336.47 2347.99 2364.69 2374.46 2386.49 2404.22 2474.37 2546.65 2575.64 2587.55 2594.20 2744.81 2857.13 2875.94 3621.05 4524.70 4667.02 4703.86 4747.43 4774.24 4780.28 4794.50 4832.52 4847.29 4863.78 4877.72 4881.38 4897.16 4908.61 4994.20 5562.01 0.370764 0.399139 0.400083 0.304018 -2621.395399 -2621.367025 -2621.366081 -2621.462146 3.222036D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE COC(=O)[C@@H]1[C@@H](C(=C(N=C1[O-])SCC(=O)Nc2cccc(c2)Cl)C#N)c3ccc(cc3)Cl C08969909 RHF 6-31G(d) (6D,10F) C1 488.023858 |X|Y|Z| 51.183980 29.840142 159.447966 62.447919 22 6 7 16 19 2 1 |36.858105| |13.508057|73.516695| |8.170108|25.469242|36.858105| |7.291656|15.330286|16.018807|73.516695| |5.188296|14.370259|12.568048|14.033780|36.858105| |5.083626|14.473499|9.073451|10.545306|17.644741|0.500000| |4.130253|9.967962|7.416744|10.625528|12.275979|0.245070|36.858105| |3.519404|8.268268|5.560425|8.109829|9.039464|0.230028|17.472710|0.500000| |3.507698|7.706973|5.853037|10.081588|7.586427|0.155143|12.568794|0.248233|36.858105| |3.291310|7.088752|5.439076|9.890397|6.870612|0.142115|7.701704|0.180525|13.871219|36.858105| |3.431378|7.535682|5.789583|10.112651|7.630416|0.160377|6.564619|0.163880|7.864090|14.356574|53.358707| |4.106459|9.776225|7.704664|11.544837|12.347531|0.249469|7.403495|0.184429|6.715501|8.248304|19.292402|36.858105| |3.923631|9.049768|6.218651|9.407014|8.116567|0.215202|5.266132|0.140832|4.717042|5.547079|11.512177|15.766371|73.516695| |2.623855|5.285963|3.743352|7.186908|4.185650|0.095959|4.615573|0.117090|7.008924|10.619842|9.817436|4.866353|6.926784|388.023441| |2.495639|4.948483|3.432513|6.629697|3.731850|0.088303|3.670296|0.095367|4.710702|6.952292|9.574262|4.770761|7.358892|74.931368|36.858105| |2.117305|4.084980|2.724988|5.256891|2.882449|0.070500|2.881063|0.076106|3.558064|4.602691|6.145391|3.463264|5.602320|49.166850|12.580640|36.858105| |1.964598|3.762251|2.481196|4.774120|2.614462|0.064346|2.697896|0.071545|3.358118|4.113521|5.186107|3.010621|4.837731|45.832553|7.910761|15.946388|73.516695| |1.999398|3.814345|2.494215|4.782134|2.602648|0.064953|2.520489|0.067116|2.961986|3.715739|5.296327|3.148978|5.331928|33.879134|7.968873|13.841301|14.948423|53.358707| |1.760606|3.311567|2.117610|4.035130|2.186039|0.055491|2.129918|0.057144|2.447889|2.931143|4.121256|2.563265|4.411032|25.779972|5.067401|7.604241|11.608632|18.545361|36.858105| |1.619950|3.030481|1.923876|3.660847|1.982240|0.050471|1.972744|0.053057|2.275861|2.652050|3.603780|2.261865|3.850321|23.773903|4.214001|6.255186|11.743233|10.521930|13.669830|36.858105| |1.462744|2.713771|1.697661|3.210969|1.738556|0.044775|1.726222|0.046643|1.953032|2.224843|3.037656|1.956233|3.370396|19.135925|3.238189|4.306516|8.010684|6.996715|7.947041|13.766917|36.858105| |1.416630|2.617797|1.623903|3.058312|1.656377|0.042998|1.622310|0.043934|1.805047|2.050547|2.854743|1.868952|3.272324|17.019670|2.906833|3.653392|6.419012|6.176568|6.799091|7.865648|13.760438|36.858105| |1.509257|2.795582|1.737685|3.271307|1.772317|0.046031|1.709103|0.046242|1.891055|2.176479|3.098331|2.031560|3.600364|17.765026|3.158087|3.893208|6.430348|7.102936|7.937461|6.899494|8.050572|13.796128|36.858105| |1.684331|3.146492|1.982895|3.750958|2.032697|0.052300|1.946106|0.052439|2.177008|2.568727|3.706146|2.381582|4.209141|21.241800|4.036852|5.140567|7.905727|10.897948|13.661060|7.921838|6.922739|7.899364|13.818411|36.858105| |1.419553|2.612308|1.600223|2.988712|1.623219|0.042680|1.548196|0.042042|1.677408|1.904247|2.745146|1.848115|3.336008|14.949702|2.587477|2.974834|4.896121|5.113984|4.760221|4.224333|4.782791|7.035091|10.894533|7.060424|448.794386| |2.993061|6.204927|4.328603|7.755388|4.983626|0.113672|7.502463|0.176911|13.425597|7.812786|7.017156|4.480053|6.210649|45.513327|4.082454|3.327785|5.890569|3.723920|2.315907|2.216338|1.912156|1.746568|1.797776|2.040168|12.733812|36.858105| |2.636729|5.285577|3.518458|6.370576|3.874047|0.092689|5.354822|0.135092|7.434094|5.452752|5.415657|3.530912|5.135103|37.411001|3.521271|3.039719|5.569615|3.420654|2.175245|2.125830|1.850414|1.680326|1.707955|1.913745|12.090884|16.655870|53.358707| |4.387475|10.122221|6.473834|9.509017|7.491951|0.184707|12.498141|0.251361|7.407710|5.032795|5.971659|4.866838|6.965848|25.703182|2.932344|2.422001|4.123444|2.923570|1.860168|1.749605|1.552696|1.462403|1.527346|1.712374|11.197744|6.386484|7.045657|36.858105| |3.883720|8.678278|4.895592|7.184800|5.655059|0.162994|7.559307|0.207100|5.063260|3.845353|4.811516|3.981824|6.094879|20.916268|2.477213|2.098218|3.590612|2.575516|1.663984|1.572589|1.411461|1.337529|1.394189|1.547900|10.322887|4.672067|5.610761|13.712221|36.858105| |3.624687|7.448036|3.978668|6.127670|4.163740|0.119778|5.001442|0.134558|3.863410|3.080754|3.882385|3.144227|4.980856|17.762374|2.138050|1.855041|3.205047|2.297172|1.504794|1.433849|1.298752|1.233460|1.279267|1.406901|9.524000|3.790624|4.839896|7.862544|13.753951|36.858105| |3.750994|7.226813|3.881629|6.273396|3.768117|0.103510|4.424448|0.112155|3.680704|2.953934|3.670520|2.908088|4.593919|17.482114|2.096496|1.835187|3.191054|2.268787|1.491595|1.428284|1.295316|1.227490|1.268519|1.391610|9.427506|3.738051|4.899328|6.846685|7.999602|13.805614|36.858105| |4.192419|7.972574|4.521196|7.621857|4.168483|0.107955|4.975696|0.117303|4.324677|3.387629|4.097748|3.190187|4.914349|19.942674|2.344633|2.035305|3.540302|2.490172|1.624667|1.554178|1.399602|1.319690|1.363854|1.504425|10.061997|4.449383|5.765534|7.877397|6.903422|7.929721|13.788824|36.858105| |4.598492|9.524819|6.012871|9.974378|5.659591|0.136444|7.453921|0.156677|6.240439|4.488112|5.233618|4.072781|5.972406|24.709130|2.811572|2.367246|4.076482|2.853623|1.828756|1.733809|1.542345|1.448403|1.504616|1.679304|11.011180|6.087989|7.195495|13.684626|7.993103|6.878092|7.977927|13.761005|36.858105| |3.086230|5.591512|2.948381|4.916424|2.823057|0.078554|3.144326|0.082192|2.765577|2.332297|2.947036|2.306068|3.748156|14.414362|1.769206|1.584157|2.774039|1.981184|1.321699|1.275049|1.168771|1.111726|1.143494|1.241577|8.557742|2.849907|3.861959|4.200257|4.765108|7.022078|10.866659|7.015364|4.759448|448.794386| |17.622066|16.460552|7.210602|12.851184|4.724036|0.123452|4.084769|0.095017|3.569077|3.264785|4.445646|3.734707|6.129665|18.853100|2.462676|2.107037|3.516557|2.680646|1.739579|1.615543|1.458349|1.403826|1.484479|1.651317|11.142114|3.140035|3.809778|4.577196|3.954419|3.804739|4.176135|4.932720|5.252349|27.493506|0.500000| |17.623904|16.453564|7.233774|12.997193|4.717202|0.125692|3.695607|0.088470|3.289767|3.223874|4.690194|4.071873|7.121939|18.642373|2.573383|2.188321|3.575027|2.848150|1.841894|1.681061|1.518319|1.478202|1.585414|1.774530|12.016783|2.800640|3.364762|3.715515|3.271939|3.034931|3.127608|3.501676|3.872995|21.239585|0.300318|0.500000| |17.640504|16.951407|5.946901|9.249613|4.378246|0.126587|3.603846|0.088681|3.035458|2.843061|4.041401|3.538054|6.192859|16.431949|2.210113|1.903211|3.156750|2.465661|1.612641|1.490251|1.356423|1.319489|1.403328|1.553710|10.683499|2.646041|3.225400|3.907467|3.689312|3.568165|3.646699|3.853465|4.002868|24.992390|0.298801|0.298550|0.500000| |2.445199|4.926095|3.377506|6.269427|3.825732|0.092325|3.684510|0.098947|4.513247|6.629370|10.442248|5.169826|8.225767|56.491573|17.631527|8.920553|10.950637|9.778988|4.767357|3.891215|3.069437|2.820966|3.116301|3.987300|20.897168|3.802272|4.441153|2.886779|2.481726|2.123640|2.047524|2.250860|2.688930|13.867668|0.065957|0.069833|0.060746|0.500000| |2.741632|5.381092|3.784887|7.586523|3.930018|0.091960|3.674480|0.092941|4.563749|6.592574|9.844057|5.093692|7.950188|56.457495|17.612909|8.925725|10.899100|9.863290|4.787713|3.898325|3.073947|2.826733|3.126069|4.005673|20.960977|3.848250|4.491246|2.964643|2.484633|2.154235|2.130400|2.403314|2.885927|14.433536|0.074808|0.080104|0.066563|0.305606|0.500000| |2.109180|4.039750|2.645482|5.053666|2.760456|0.069062|2.599488|0.069195|2.997480|3.809630|5.734270|3.436585|5.953739|32.242276|7.883701|9.443474|10.894302|26.052950|9.369359|5.745301|4.299927|4.075494|4.944868|7.690078|30.564219|2.692403|3.317790|2.194738|1.934898|1.718117|1.688869|1.848826|2.125391|11.803425|0.057065|0.061847|0.053005|0.217683|0.220974|0.500000| |1.643383|3.083327|1.968166|3.753284|2.035462|0.051511|2.060750|0.055323|2.417658|2.806088|3.709001|2.300917|3.853000|26.226301|4.440336|6.854843|15.272532|9.541284|8.912642|17.838529|8.916289|5.624448|4.975224|5.645251|27.418945|2.396466|3.158201|1.829395|1.636520|1.491005|1.488965|1.626976|1.819571|10.643623|0.045826|0.047057|0.041891|0.110513|0.110586|0.143316|0.500000| |1.382432|2.557775|1.592748|3.006814|1.629600|0.042066|1.634042|0.044221|1.846909|2.072572|2.792277|1.808941|3.102565|17.814099|2.889060|3.742542|7.262880|5.662325|5.659573|8.979044|17.714053|8.954060|5.697878|4.977529|31.631374|1.833536|2.442969|1.483273|1.353475|1.252029|1.252020|1.350634|1.479278|9.116763|0.038462|0.039673|0.035713|0.075826|0.075885|0.098293|0.216337|0.500000| |1.316540|2.421897|1.489994|2.795628|1.515596|0.039577|1.486567|0.040355|1.639468|1.838639|2.553893|1.692647|2.974030|15.031665|2.498268|3.036196|5.393960|4.919636|4.916480|5.607424|8.859740|17.755725|8.908963|5.632493|53.640209|1.594137|2.099086|1.351511|1.243976|1.153651|1.149165|1.230431|1.340841|8.409528|0.036268|0.038106|0.034233|0.067695|0.067809|0.092431|0.123696|0.214131|0.500000| |1.768109|3.309530|2.083620|3.928604|2.134315|0.055097|2.006495|0.054064|2.218227|2.635998|3.910754|2.538772|4.569319|21.070856|4.086014|4.807114|7.092732|10.010484|8.866162|5.630108|4.978949|5.641384|8.957739|17.730403|54.278537|2.043105|2.581597|1.755023|1.587375|1.437925|1.417107|1.529262|1.711545|10.122004|0.047735|0.052094|0.045296|0.115536|0.116221|0.235147|0.123898|0.107960|0.124278|0.500000| 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