Version2.4 2021-05-20T03:14:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 25-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)c2nnc(n2CC(=O)[O-])S[C@H](C)C(=O)NC(=O)NC(C)C C13020138 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)c2nnc(n2CC(=O)[O-])S[C@H](C)C(=O)NC(=O)NC(C)C C01[X(C18H22N5O4S1)] 144 C1 468 CC(NC(=O)NC(=O)[C@H](Sc1nnc(n1CC(=O)[O-])c1cccc(c1)C)C)C CC(NC(=O)NC(=O)[C@H](Sc1nnc(n1CC(=O)[O-])c1cccc(c1)C)C)C CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnc(n1CC([O-])=O)c2cccc(C)c2 InChIKey=BRWOQIIZMSATIY-GFCCVEGCSA-M InChI=1S/C18H23N5O4S/c1-10(2)19-17(27)20-16(26)12(4)28-18-22-21-15(23(18)9-14(24)25)13-7-5-6-11(3)8-13/h5-8,10,12H,9H2,1-4H3,(H,24,25)(H2,19,20,26,27)/p-1/t12-/m1/s1 InChI=1/C18H23N5O4S/c1-10(2)19-17(27)20-16(26)12(4)28-18-22-21-15(23(18)9-14(24)25)13-7-5-6-11(3)8-13/h5-8,10,12H,9H2,1-4H3,(H,24,25)(H2,19,20,26,27)/p-1/t12-/m1/s1/fC18H22N5O4S/h19-20H/q-1 Cc1cccc(c1)c2nnc(n2CC(=O)[O-])S[C@H](C)C(=O)NC(=O)NC(C)C C01[X(C18H22N5O4S1)] 144 C01 468 CC(NC(=O)NC(=O)[C@H](Sc1nnc(n1CC(=O)[O-])c1cccc(c1)C)C)C CC(NC(=O)NC(=O)[C@H](S[C]1[N][N][C](N1C[C]([O])[O])[C]1[CH][CH][CH][C]([CH]1)C)C)C C[C]1[CH][CH][CH][C]([CH]1)[C]2[N][N][C](S[C@H](C)C(=O)NC(=O)NC(C)C)N2C[C]([O])[O] InChIKey=SWWSLBVKIFQBPY-GFCCVEGCSA-N InChI=1S/C18H22N5O4S/c1-10(2)19-17(27)20-16(26)12(4)28-18-22-21-15(23(18)9-14(24)25)13-7-5-6-11(3)8-13/h5-8,10,12H,9H2,1-4H3,(H2,19,20,26,27)/t12-/m1/s1 InChI=1/C18H22N5O4S/c1-10(2)19-17(27)20-16(26)12(4)28-18-22-21-15(23(18)9-14(24)25)13-7-5-6-11(3)8-13/h5-8,10,12H,9H2,1-4H3,(H2,19,20,26,27)/t12-/m1/s1/f/h19-20H 2869.8442394660 -1663.7737941 1-A 13288.2030 107 361 468 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.85707 -20.42865 -20.40514 -20.38086 -20.37638 -15.53289 -15.47856 -15.47734 -15.47265 -15.45309 -11.26265 -11.25220 -11.21692 -11.21652 -11.20630 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326.7831 343.8858 363.8377 384.1581 424.5111 438.5666 451.4436 464.6410 473.6587 500.7266 524.5299 533.4605 565.2244 580.1461 632.7516 669.1687 675.9762 719.1120 734.5461 748.8319 771.5886 782.7721 799.5116 828.5248 846.8460 859.1459 876.6064 886.6521 896.5146 923.7615 934.9527 939.7435 1005.1611 1007.6856 1015.7732 1028.0211 1031.3402 1069.0459 1078.6674 1083.9515 1085.4113 1090.3326 1099.0917 1109.3270 1131.3647 1137.7382 1178.9982 1195.3738 1204.4331 1209.0216 1216.7166 1241.4835 1249.1053 1256.1850 1302.7060 1304.3655 1316.6871 1321.2952 1336.9131 1339.7281 1398.9616 1407.6164 1417.0998 1467.5963 1469.8773 1485.4676 1507.9183 1513.8270 1536.7504 1554.3859 1560.3995 1563.4140 1568.3761 1570.6966 1575.1780 1595.4578 1624.5704 1632.8668 1632.9339 1635.0106 1638.0971 1639.0542 1640.9268 1642.5954 1657.2552 1657.3633 1670.2071 1726.3594 1764.5130 1781.1851 1790.8015 1822.2161 1881.2075 1955.9706 2020.5635 3188.8962 3199.5920 3201.5567 3206.7915 3245.9986 3254.6334 3256.7131 3267.8632 3276.3810 3279.3459 3281.0271 3286.1165 3291.8914 3314.1828 3333.6055 3335.6348 3342.7918 3364.7661 3373.7236 3396.0034 3659.6236 3695.1733 1.0891 4.4072 3.8331 4.5294 4.4916 4.0703 5.5415 5.7574 5.1387 5.6602 7.2378 4.8207 9.6669 8.1398 8.0576 7.0601 6.1667 5.1359 3.7615 3.0821 3.8352 1.0625 4.0756 1.1089 1.3264 3.1096 4.5612 4.9273 3.5346 4.2495 6.7063 4.7076 4.6971 3.3076 4.0736 4.4230 3.4535 5.9738 3.0357 5.0116 5.1918 3.1065 6.1381 4.9441 3.2104 3.1319 6.5291 1.8997 2.5043 10.4015 4.3321 3.7201 5.2066 6.5599 5.7846 1.6393 2.2995 5.2117 1.1606 3.1233 4.1163 1.2063 1.3267 1.4996 3.8035 3.0563 2.7746 1.5536 2.5646 2.0813 1.3461 3.0196 2.2539 1.5442 2.7224 2.3076 1.5166 2.5326 2.9887 1.9770 2.9766 2.1894 1.9793 2.2811 1.4373 2.4393 2.1382 1.7269 2.9470 1.7916 1.7885 1.2745 1.4060 2.8606 1.2783 1.6729 1.3377 1.9153 1.3897 1.7107 1.3281 2.5993 4.8927 1.2863 1.0498 1.0601 1.0536 1.0445 1.0567 1.1631 1.0524 4.4137 1.0910 2.7019 8.4572 1.7850 1.5181 5.3640 5.4972 9.6176 3.9283 10.4625 1.0410 1.0378 1.0383 1.0443 1.0977 1.0989 1.1004 1.0991 1.1035 1.0935 1.0968 1.0609 1.0993 1.1021 1.0903 1.1067 1.0882 1.0940 1.0936 1.0951 1.0851 1.0826 0.0003 0.0019 0.0019 0.0033 0.0048 0.0054 0.0103 0.0135 0.0216 0.0308 0.0403 0.0329 0.0808 0.0751 0.0961 0.1271 0.1488 0.1391 0.1235 0.1073 0.1341 0.0403 0.1763 0.0503 0.0683 0.1701 0.2698 0.3100 0.2463 0.3314 0.5831 0.4998 0.5323 0.3972 0.5182 0.5847 0.5102 0.9684 0.5090 0.9433 1.0295 0.7328 1.6194 1.3311 0.9782 0.9956 2.1571 0.6664 0.9041 3.9174 1.7521 1.5719 2.2643 2.9700 2.6794 0.7763 1.1561 2.6842 0.6039 1.8593 2.4627 0.7333 0.8261 0.9398 2.5611 2.0952 1.9207 1.0784 1.7963 1.4813 0.9760 2.2772 1.7190 1.2646 2.2920 1.9724 1.3061 2.2090 2.7140 1.8174 2.7675 2.1892 1.9840 2.3300 1.4784 2.5687 2.2611 1.9913 3.4403 2.1198 2.2696 1.6224 1.8279 3.8324 1.7259 2.3277 1.9043 2.7476 2.0013 2.4793 1.9305 3.7999 7.3378 2.0002 1.6492 1.6655 1.6594 1.6513 1.6726 1.8452 1.6730 7.1422 1.7657 4.4408 14.8504 3.2745 2.8377 10.1353 10.7546 20.0536 8.8547 25.1669 6.2370 6.2597 6.2701 6.3272 6.8143 6.8584 6.8761 6.9152 6.9793 6.9287 6.9569 6.7500 7.0189 7.1323 7.1387 7.2552 7.1642 7.2975 7.3338 7.4412 8.5620 8.7094 0.0598 0.3902 0.0169 0.4957 1.1756 3.1866 2.8098 0.1160 5.2280 1.6865 9.0815 0.9870 10.7152 2.3767 5.8654 13.8007 13.3694 1.6237 4.4811 4.7977 7.3500 0.9093 0.2270 0.6510 3.7249 2.8270 3.1468 1.0799 2.1863 1.4818 3.0628 6.8467 8.8537 4.1973 9.4797 5.4472 2.2094 5.8066 6.9025 1.9222 0.0646 15.6459 14.6944 2.8486 15.8019 36.8874 2.7476 99.5478 16.1073 6.0956 14.4626 9.6857 3.4761 28.7863 22.6051 26.7329 7.0375 13.6613 150.3608 13.8981 4.3707 1.6067 0.2394 0.5073 4.2145 12.2652 4.7858 8.0066 2.2757 3.2491 1.6351 18.4669 10.8349 5.5544 0.7130 6.7436 17.0640 2.8857 0.3389 27.7226 0.4940 194.3460 8.7792 2.9077 6.1663 7.0318 170.6189 187.3944 3.3863 57.1174 112.4980 4.3327 10.7476 9.0599 2.4471 30.3474 11.0838 102.6621 19.2998 128.7192 11.1038 71.7722 61.7183 12.3857 0.2126 3.3286 2.3336 3.8701 12.1782 8.4204 9.0852 75.3427 3.4538 49.6240 51.3827 618.9876 69.8759 4.0698 5.0014 805.7802 61.7650 686.6818 31.5725 53.8518 42.4494 45.5932 22.9331 23.2348 31.3292 57.4964 26.9007 19.4285 60.9130 14.5656 42.8028 12.7644 1.7227 14.8325 14.9063 53.4774 2.4705 12.7199 114.1455 664.8241 0.8464 0.9288 0.5616 1.3498 1.6308 0.7515 2.3875 0.8106 2.4024 0.9164 0.6686 2.3533 1.0510 0.5348 1.6825 0.6516 0.3655 0.8051 2.5019 0.6203 0.9852 0.1195 2.0270 0.4409 0.2259 1.2985 2.4054 0.6428 0.0666 0.6581 0.9720 3.8548 0.3912 1.8900 1.7472 1.7876 1.4909 1.1455 1.0369 6.3045 0.9834 0.7615 16.0583 4.7646 2.3021 3.0286 9.3270 1.8484 1.2497 1.4145 2.2414 6.6930 2.5042 8.4398 5.5409 0.5856 8.4553 6.5905 0.7457 3.4017 4.5251 1.6844 1.8299 8.2476 1.8272 9.6964 21.1750 6.2496 9.2028 15.5179 0.2182 7.5015 2.4750 1.2143 14.9223 17.2578 2.2976 5.6900 6.3817 4.4914 16.7969 3.5146 4.5706 1.1204 1.2268 5.5560 3.9557 11.5669 1.3461 8.8745 7.7843 0.7714 6.2565 23.7374 4.3631 2.7819 0.8681 6.1949 3.4723 8.0410 2.9868 18.2345 26.2114 48.3775 19.3686 22.1978 20.0927 13.8753 19.7301 24.0278 28.0407 83.0069 2.9828 5.3192 77.1098 5.0202 0.8270 19.8251 163.9533 1.4107 0.6660 14.2533 35.5351 200.8741 138.7927 138.8102 66.8782 83.5477 79.7742 92.6380 61.6249 66.6646 39.8030 84.3920 34.0769 64.8942 8.2214 43.1604 78.7583 178.2099 68.1359 108.4951 10.5237 134.4108 0.6849 0.7498 0.7373 0.6657 0.7161 0.7317 0.7334 0.6990 0.6797 0.4039 0.6841 0.5116 0.6916 0.5191 0.5534 0.6900 0.4395 0.7302 0.7034 0.4580 0.6626 0.3806 0.3993 0.1715 0.1031 0.7492 0.4463 0.5150 0.6691 0.7181 0.7173 0.1370 0.6048 0.1193 0.2494 0.2757 0.4762 0.7289 0.6973 0.3356 0.5998 0.5728 0.2509 0.3563 0.2801 0.6794 0.3367 0.6517 0.5727 0.4099 0.6748 0.2034 0.4711 0.0436 0.2350 0.3858 0.4155 0.2882 0.6345 0.1771 0.2101 0.7309 0.6349 0.7407 0.5997 0.2683 0.1243 0.2265 0.5067 0.1238 0.7313 0.3138 0.7143 0.4054 0.3655 0.4870 0.7452 0.2761 0.4113 0.7491 0.6743 0.5689 0.0978 0.3415 0.5114 0.3009 0.7499 0.3236 0.4276 0.4805 0.2842 0.4390 0.7252 0.4627 0.7194 0.5628 0.6375 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0.7786 0.8566 0.7254 0.2328 0.8549 0.5214 0.3471 0.5581 0.8570 0.7634 0.8552 0.8571 0.7961 0.5306 0.8571 0.3619 0.6607 0.7108 0.3970 0.8555 0.7736 0.5891 0.6210 0.8270 0.8322 0.3801 0.2791 0.1190 0.0570 0.1901 0.8147 0.8149 0.8465 0.8110 0.8568 0.7908 0.6148 0.1876 0.4702 0.7615 0.0848 0.8499 0.8033 0.4291 0.4209 0.2976 0.5237 0.3593 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 50 6 6 6 6 6 6 6 6 7 7 6 7 6 6 8 8 16 6 1 6 6 8 7 6 8 7 6 6 6 1 1 1 1 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 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 15.99491 15.99491 31.97207 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 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 7511.5523 16953.7657 22712.8618 0.99996 0.00730 -0.00432 -0.00733 0.99995 -0.00742 0.00427 0.00745 0.99996 1 0.01153 0.00511 0.00381 0.24026 0.10645 0.07946 33.52 38.86 41.61 50.64 61.46 68.49 80.92 90.63 121.44 138.37 139.79 154.84 171.34 180.09 204.75 251.54 291.16 308.53 339.71 349.72 350.52 365.10 389.81 399.04 425.27 438.34 455.90 470.17 494.77 523.48 552.72 610.78 631.00 649.53 668.51 681.49 720.43 754.68 767.53 813.23 834.70 910.39 962.78 972.58 1034.64 1056.85 1077.40 1110.14 1126.23 1150.32 1192.06 1218.42 1236.12 1261.24 1275.69 1289.88 1329.09 1345.19 1352.08 1446.20 1449.83 1461.47 1479.09 1483.87 1538.12 1551.96 1559.56 1561.66 1568.75 1581.35 1596.07 1627.78 1636.95 1696.32 1719.88 1732.91 1739.51 1750.58 1786.22 1797.18 1807.37 1874.30 1876.69 1894.42 1901.05 1923.52 1927.57 2012.79 2025.25 2038.89 2111.54 2114.83 2137.26 2169.56 2178.06 2211.04 2236.41 2245.07 2249.40 2256.54 2259.88 2266.33 2295.51 2337.39 2349.33 2349.43 2352.42 2356.86 2358.23 2360.93 2363.33 2384.42 2384.58 2403.06 2483.85 2538.74 2562.73 2576.56 2621.76 2706.64 2814.21 2907.14 4588.11 4603.50 4606.33 4613.86 4670.27 4682.69 4685.68 4701.73 4713.98 4718.25 4720.67 4727.99 4736.30 4768.37 4796.31 4799.23 4809.53 4841.15 4854.04 4886.09 5265.38 5316.53 0.427696 0.454087 0.455031 0.367639 -1663.346098 -1663.319707 -1663.318763 -1663.406155 2.931142D-04 MUNgauss RevisionA2.1 retrievium 20-May-2021 DUDE Cc1cccc(c1)c2nnc(n2CC(=O)[O-])S[C@H](C)C(=O)NC(=O)NC(C)C C13020138 RHF 6-31G(d) (6D,10F) C1 404.139251 |X|Y|Z| 93.879466 25.408901 61.880464 52.848989 11 6 7 8 3 |36.858105| |12.602716|36.858105| |7.533672|13.731733|36.858105| |5.005484|7.895586|13.728292|36.858105| |4.423633|6.815480|7.931919|13.792555|36.858105| |5.012411|7.872994|6.878654|7.949192|13.692963|36.858105| |7.572493|13.692483|7.976902|6.896773|7.925317|13.720445|36.858105| |3.807351|5.048195|4.484588|5.081592|7.673957|12.882582|7.650778|36.858105| |3.160936|4.000161|3.755492|4.363339|6.272425|7.780857|5.352685|14.730804|53.358707| |2.721710|3.259374|3.024488|3.373406|4.434194|5.341918|4.204319|8.920950|19.171667|53.358707| |2.838809|3.348818|3.010336|3.252875|4.184037|5.325792|4.415829|8.927667|12.163187|20.123342|36.858105| |3.474417|4.261941|3.688939|3.941991|5.234337|7.565394|6.110643|14.080687|11.921129|11.907550|13.996550|53.358707| |3.650754|4.272076|3.588419|3.635476|4.448235|6.081080|5.840624|7.509473|7.219350|7.234210|7.547541|17.804400|36.858105| |3.738382|4.011251|3.240549|3.115056|3.587420|4.763868|5.233157|5.389723|5.725578|5.853202|5.714207|10.268716|12.366164|36.858105| |3.742579|3.959264|3.165802|3.028785|3.486911|4.673055|5.216204|5.390356|5.987304|6.161616|5.785025|9.497517|8.016427|15.393989|73.516695| |3.470097|3.551603|2.928102|2.775571|3.078258|3.847103|4.273096|4.108020|4.558046|4.657805|4.328480|7.197872|8.176799|15.502255|15.231974|73.516695| |2.376172|2.658813|2.403475|2.527195|3.043288|3.640306|3.291388|4.947953|6.741594|9.555278|10.813617|9.359623|5.850724|5.210911|9.225409|7.618017|388.023441| |2.361948|2.559044|2.269502|2.320761|2.716499|3.273285|3.130292|4.196111|5.782826|7.517546|6.887425|7.160552|4.667158|4.992405|10.327981|7.295494|73.129251|36.858105| |2.680897|2.909411|2.521951|2.549647|2.998571|3.738985|3.649101|4.822861|6.454645|7.979046|7.310465|8.197381|5.213378|5.881231|13.787461|8.057421|56.950176|17.670400|0.500000| |2.088835|2.259444|2.049811|2.117384|2.456354|2.852701|2.691865|3.569622|5.270667|6.860307|5.322561|5.543096|3.517137|3.616291|7.350323|5.506663|48.473933|12.508692|0.245106|36.858105| |2.191782|2.304924|2.041892|2.051979|2.335474|2.763851|2.735761|3.329493|4.417586|5.312575|4.767997|5.608817|4.108162|4.743649|9.365654|7.568969|49.668384|12.427569|0.245582|7.533088|36.858105| |1.929675|2.021745|1.821591|1.840110|2.074701|2.392751|2.349718|2.833770|3.830025|4.583764|3.941125|4.627225|3.387531|3.738520|7.066856|6.230804|40.954587|8.013288|0.164213|6.674028|15.960283|73.516695| |2.402750|2.472255|2.144928|2.110093|2.370147|2.844987|2.927675|3.314805|4.209243|4.795083|4.336639|5.604624|4.425185|5.791160|11.685030|9.584850|39.150984|7.884791|0.214442|5.227519|13.933817|14.807331|53.358707| |2.231082|2.241804|1.957869|1.906013|2.095492|2.461269|2.572253|2.756077|3.482610|3.849079|3.371336|4.514567|3.703181|4.797722|8.926566|8.968782|29.177922|5.048404|0.137148|3.873944|7.692673|11.581219|18.531950|36.858105| |1.958905|1.965340|1.744284|1.706999|1.863732|2.145401|2.218045|2.386788|3.077022|3.408248|2.905092|3.817083|3.050947|3.703436|6.824768|6.900285|25.361975|4.316136|0.112779|3.579211|6.501783|11.673289|11.286782|15.890135|73.516695| |2.449467|2.410234|2.076047|1.986681|2.157284|2.545655|2.737681|2.766492|3.400308|3.640123|3.186102|4.504245|3.894273|5.372131|9.505015|11.200340|25.747273|4.131314|0.118827|3.221777|5.342526|8.084190|11.401051|14.063715|14.981218|53.358707| |2.222687|2.150501|1.878931|1.789143|1.908241|2.198571|2.368313|2.330370|2.885032|3.044251|2.595326|3.682748|3.161142|4.046726|6.951416|8.662734|20.588728|3.166844|0.089666|2.615244|3.920656|6.405546|7.113117|7.806436|12.130705|17.880727|36.858105| |2.414878|2.264486|1.960246|1.830685|1.919087|2.204691|2.439068|2.266464|2.774754|2.854221|2.397803|3.498129|3.019936|3.877936|6.660762|8.432901|18.103247|2.749085|0.080138|2.310251|3.188872|5.149561|5.577343|5.192520|8.075629|10.723970|12.471179|36.858105| |2.048617|2.011052|1.786441|1.719274|1.834520|2.084427|2.203903|2.213704|2.745702|2.909902|2.487035|3.515059|3.051149|3.677119|6.002515|8.015285|20.052000|2.907457|0.080074|2.422996|3.555087|6.040102|5.957285|5.976822|10.130766|10.503598|12.443888|7.526642|36.858105| |17.566847|8.838636|5.732747|4.233545|3.960547|4.659136|6.946765|3.729132|4.155210|3.675140|2.897992|4.876703|3.976633|4.263650|7.401775|7.245293|17.593712|2.464725|0.077786|2.140114|2.327503|3.622343|3.547457|2.446554|3.777764|3.744606|2.498715|2.767047|2.288099|0.500000| |17.533179|8.844092|6.048940|4.369175|3.977377|4.527558|6.511462|3.594760|4.189551|3.630348|2.745807|4.451797|3.339247|3.519498|6.566671|5.743049|16.458481|2.366360|0.075270|2.116521|2.190801|3.424924|3.268485|2.222399|3.479093|3.295037|2.189567|2.379458|1.988228|0.302551|0.500000| |17.561205|8.832711|7.189561|4.725825|3.955013|4.170275|5.592269|3.240049|3.760186|3.268964|2.483815|4.045269|3.124265|3.150814|5.525492|5.345906|15.046759|2.087732|0.064709|1.869835|1.956348|3.103474|2.896868|2.004194|3.168432|2.988765|2.031975|2.217257|1.895324|0.301248|0.301671|0.500000| |6.976606|8.919023|17.691267|8.921744|5.648073|4.952949|5.657955|3.577707|4.231794|3.518962|2.573667|4.167113|3.032067|2.809976|4.886656|4.632960|15.074837|2.020672|0.061785|1.843236|1.844889|2.953820|2.641723|1.796645|2.870022|2.600711|1.755051|1.846890|1.672903|0.146580|0.158798|0.219283|0.500000| |4.083990|5.630056|8.913079|17.703932|8.934818|5.648265|4.963292|4.130003|5.112136|4.074275|2.852780|4.525057|3.083352|2.668653|4.611939|4.305833|16.179300|2.086131|0.062743|1.932571|1.858545|2.998994|2.580885|1.727477|2.779123|2.438620|1.630671|1.665493|1.578479|0.097751|0.101512|0.112449|0.215653|0.500000| |3.540834|4.923867|5.635662|8.896052|17.739424|8.923479|5.646767|7.120659|9.093318|6.387984|4.225853|6.751756|4.074772|3.245560|5.607617|4.990232|21.818358|2.673528|0.080329|2.461448|2.279650|3.640266|3.085807|2.000819|3.193076|2.764634|1.801384|1.790015|1.747466|0.090235|0.090620|0.090083|0.124051|0.214316|0.500000| |7.029599|8.899530|5.658713|4.963861|5.646606|8.940461|17.705953|7.097091|6.888858|5.785538|4.683255|8.888271|6.623199|6.721344|12.583302|9.209018|25.387542|3.524442|0.117956|2.940567|3.096423|4.624904|4.643246|2.958534|4.441645|4.340478|2.693164|2.781327|2.452157|0.203000|0.180147|0.141313|0.124181|0.107691|0.124381|0.500000| |4.179824|5.062620|4.211659|4.211745|5.079095|6.928220|6.885398|7.136524|6.661063|6.165733|5.706294|12.544325|17.643107|8.837160|11.124935|12.662476|31.672321|3.710946|0.114254|2.960342|3.346261|5.063624|4.925232|3.175074|4.752292|4.660951|2.899985|2.868730|2.823304|0.127414|0.101647|0.099279|0.097240|0.097265|0.124139|0.201581|0.500000| |3.075111|3.509130|3.080956|3.169972|3.802107|4.753086|4.451397|5.819501|6.233982|6.646903|6.976727|12.520092|17.647931|8.913745|10.915651|13.302806|45.245208|4.582174|0.132207|3.458615|4.192287|6.307168|5.981717|3.757749|5.580214|5.288443|3.198091|2.969777|3.215639|0.092627|0.078534|0.075364|0.074109|0.077006|0.100834|0.133991|0.303980|0.500000| |2.136086|2.350045|2.152507|2.256142|2.653309|3.062862|2.816404|3.915620|6.132621|8.329705|5.817631|5.829942|3.502388|3.455122|6.992101|5.188556|45.738169|8.866393|0.212872|17.590106|5.497195|8.716893|5.794536|3.275174|5.356033|3.870900|2.348809|2.122753|2.191442|0.059969|0.060204|0.053087|0.053474|0.057247|0.074783|0.084007|0.082904|0.094184|0.500000| |2.039820|2.168834|1.959962|1.998802|2.279688|2.634935|2.546741|3.180300|4.627966|5.640436|4.295962|4.803080|3.134967|3.342970|6.961961|5.172044|36.028910|8.860112|0.211706|17.525100|6.836817|10.985938|6.945246|3.876554|6.473972|4.361306|2.616111|2.321896|2.373752|0.058040|0.058128|0.050781|0.049323|0.050775|0.062824|0.077818|0.074771|0.084390|0.300052|0.500000| |1.893499|2.041180|1.874994|1.944868|2.238749|2.546465|2.393667|3.133936|4.610162|5.934916|4.602402|4.861486|3.170697|3.206579|6.241136|5.038628|45.036531|8.828154|0.173245|17.615835|6.907500|12.876431|6.376207|3.663102|6.255417|4.104868|2.503007|2.186271|2.371003|0.053957|0.052942|0.047585|0.047180|0.049812|0.062931|0.071650|0.075019|0.089393|0.299744|0.301111|0.500000| |2.749431|2.834448|2.405795|2.346043|2.651255|3.273128|3.435609|3.822820|4.708823|5.257002|4.857574|6.589147|5.302094|7.769104|17.734466|11.797440|39.912889|7.749259|0.252579|4.995525|9.411245|10.809314|25.757080|9.287028|10.783093|10.934026|4.985284|4.204323|4.112680|0.083587|0.076356|0.066501|0.059867|0.057804|0.069409|0.115080|0.117700|0.138101|0.118788|0.134392|0.119212|0.500000| |2.769024|2.734366|2.316987|2.204646|2.406300|2.892339|3.154604|3.135062|3.750200|3.970774|3.549709|5.214749|4.755778|7.251081|12.026188|16.664977|27.761604|4.284424|0.127412|3.248328|5.167108|7.530263|10.774000|9.371683|10.866901|25.761330|9.061698|7.279892|6.614144|0.087840|0.075119|0.068100|0.058710|0.054669|0.062296|0.104140|0.114905|0.129292|0.081097|0.088054|0.083242|0.249058|0.500000| |2.027892|1.961659|1.729041|1.652644|1.758704|2.008240|2.147319|2.133345|2.685649|2.846666|2.388694|3.323622|2.761486|3.430297|6.103789|6.944894|19.090576|3.013237|0.084359|2.559209|3.782956|6.382860|6.631554|7.411924|13.549886|12.666842|17.610358|8.892716|8.916837|0.062457|0.056094|0.051772|0.045067|0.042082|0.046379|0.067275|0.070454|0.077404|0.063410|0.072345|0.068571|0.124216|0.180495|0.500000| |2.689489|2.507754|2.149177|1.991121|2.082123|2.406757|2.697926|2.444771|2.939454|2.991164|2.533232|3.790945|3.380077|4.408412|7.236483|10.227653|18.739392|2.765864|0.081477|2.297112|3.120487|4.967208|5.414892|4.728274|7.117230|9.681162|8.799996|17.543281|6.779081|0.087489|0.072398|0.068354|0.056093|0.050025|0.053513|0.085872|0.090677|0.091738|0.059267|0.063297|0.060097|0.117694|0.215227|0.173642|0.500000| |2.194121|2.050989|1.801226|1.684532|1.750436|1.979179|2.173529|2.019417|2.493689|2.557258|2.121122|3.074477|2.618290|3.213314|5.498887|6.832551|15.990901|2.395655|0.069019|2.058631|2.751810|4.557740|4.606114|4.201768|6.959891|7.696227|8.798099|17.528924|6.906716|0.069187|0.059987|0.056850|0.047599|0.042935|0.045567|0.067585|0.070062|0.072236|0.052850|0.057529|0.054697|0.094766|0.145163|0.211100|0.300651|0.500000| |2.503418|2.314432|1.988082|1.843473|1.926184|2.220751|2.485083|2.271609|2.793049|2.857011|2.375046|3.459145|2.921230|3.786785|6.832630|7.822623|17.670873|2.762592|0.081943|2.343561|3.164782|5.056999|5.558119|4.998212|7.747341|9.719660|8.808666|17.560930|5.484076|0.079532|0.069759|0.063476|0.052094|0.046480|0.049692|0.079470|0.077079|0.078015|0.059919|0.066426|0.060918|0.118544|0.183539|0.214695|0.301367|0.300229|0.500000| 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