Version2.4 2021-05-21T10:56:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 10-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)Br)NC(=O)CSc2nnc(n2N)COc3ccc(cc3)Cl C02875378 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)Br)NC(=O)CSc2nnc(n2N)COc3ccc(cc3)Cl C01[X(C18H17Br1Cl1N5O2S1)] 129 C1 477 O=C(Nc1ccc(cc1Br)C)CSc1nnc(n1N)COc1ccc(cc1)Cl O=C(Nc1ccc(cc1Br)C)CSc1nnc(n1N)COc1ccc(cc1)Cl Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2N)c(Br)c1 InChIKey=YPVSXCXTDSRHJM-UHFFFAOYSA-N InChI=1S/C18H17BrClN5O2S/c1-11-2-7-15(14(19)8-11)22-17(26)10-28-18-24-23-16(25(18)21)9-27-13-5-3-12(20)4-6-13/h2-8H,9-10,21H2,1H3,(H,22,26) InChI=1/C18H17BrClN5O2S/c1-11-2-7-15(14(19)8-11)22-17(26)10-28-18-24-23-16(25(18)21)9-27-13-5-3-12(20)4-6-13/h2-8H,9-10,21H2,1H3,(H,22,26)/f/h22H Cc1ccc(c(c1)Br)NC(=O)CSc2nnc(n2N)COc3ccc(cc3)Cl C01[X(C18H17Br1Cl1N5O2S1)] 129 C01 477 O=C(Nc1ccc(cc1Br)C)CSc1nnc(n1N)COc1ccc(cc1)Cl O=C(N[C]1[CH][CH][C]([CH][C]1Br)C)CS[C]1[N][N]=C(N1N)CO[C]1[CH][CH][C]([CH][CH]1)Cl C[C]1[CH][CH][C](NC(=O)CS[C]2[N]N=C(CO[C]3[CH][CH][C](Cl)[CH][CH]3)N2N)[C](Br)[CH]1 InChIKey=YPVSXCXTDSRHJM-UHFFFAOYSA-N InChI=1S/C18H17BrClN5O2S/c1-11-2-7-15(14(19)8-11)22-17(26)10-28-18-24-23-16(25(18)21)9-27-13-5-3-12(20)4-6-13/h2-8H,9-10,21H2,1H3,(H,22,26) InChI=1/C18H17BrClN5O2S/c1-11-2-7-15(14(19)8-11)22-17(26)10-28-18-24-23-16(25(18)21)9-27-13-5-3-12(20)4-6-13/h2-8H,9-10,21H2,1H3,(H,22,26)/f/h22H 3010.3279289949 -4540.3297082 1-A 35243.8733 122 355 477 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.08169 -104.82358 -91.98143 -64.49285 -58.63208 -58.63034 -58.63008 -20.60592 -20.55874 -15.67185 -15.63300 -15.62198 -15.58481 -15.58243 -11.38470 -11.33750 -11.31423 -11.31294 -11.31030 -11.30934 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.11785 0.12557 0.12686 0.14369 0.15417 0.15874 0.16585 0.19758 0.19821 0.20633 0.21135 0.23617 0.24199 0.25065 0.25367 0.26682 0.27556 0.28384 0.28510 0.28860 0.28884 0.30261 0.30551 0.31722 0.32117 0.32353 0.33175 0.33578 0.35670 0.35859 0.36203 0.37813 0.38059 0.38500 0.39506 0.40812 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2.81075 2.82387 2.85386 2.86846 2.90012 2.91055 2.92003 2.94298 2.95670 2.99251 2.99401 3.01091 3.02070 3.02676 3.03824 3.04292 3.05096 3.06572 3.10225 3.12368 3.12511 3.13106 3.13600 3.16613 3.17314 3.21570 3.25049 3.25701 3.27238 3.32962 3.37269 3.38012 3.42523 3.42735 3.52062 3.54139 3.63071 3.69406 3.80799 3.80898 4.12835 4.19534 4.34017 4.46928 4.48935 4.49600 4.50759 4.52799 4.52962 4.53893 4.54907 4.57778 4.59129 4.60699 4.66578 4.71197 4.73813 4.74357 4.75054 4.76427 4.80574 4.81869 4.90382 4.94819 4.99108 5.15968 5.18071 9.28776 74.91344 11.77291 -3.3673 -2.3440 -1.2614 4.2923 |XX|YY|ZZ|XY|XZ|YZ| -187.0855 -194.2384 -184.0101 -0.7989 -11.9267 -3.0925 |XX|YY|ZZ|XY|XZ|YZ| 1.3592 -5.7937 4.4345 -0.7989 -11.9267 -3.0925 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -859.6416 40.6983 1.6123 -58.1583 -16.8720 -43.4004 12.4654 15.9255 2.5567 -26.2743 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -44929.4394 -1930.3093 -695.6136 403.8912 -910.0230 -454.7135 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572.9644 586.7436 594.8600 629.0664 650.4002 694.2417 714.0181 730.2764 757.7400 768.0021 777.4327 780.5805 800.8379 820.1736 843.0539 865.9973 905.4034 920.8439 942.9520 947.8719 953.7414 954.4134 1020.1980 1022.0069 1025.1990 1058.2596 1068.0302 1092.7490 1099.8843 1105.4471 1121.6235 1123.0265 1136.6944 1144.8149 1177.0923 1178.2412 1195.5230 1207.1699 1214.1912 1229.5118 1277.2251 1294.5334 1300.1225 1302.5622 1303.1129 1336.0099 1369.8540 1386.7905 1411.4050 1421.6673 1435.6516 1450.0790 1462.1426 1496.0715 1510.8922 1552.3085 1561.1067 1569.2909 1572.7774 1601.3305 1626.9200 1630.9271 1639.2631 1655.8463 1660.1632 1678.8307 1696.5033 1720.6616 1778.1247 1789.9685 1795.1188 1809.3104 1817.3558 1861.5026 1973.0294 3206.0109 3240.2103 3259.6770 3268.1941 3283.9779 3301.0182 3320.9688 3363.0599 3390.3343 3393.6285 3393.7690 3406.7459 3411.9097 3467.2704 3738.7022 3840.5866 3865.3662 9.3281 7.3523 8.4904 4.4145 3.1029 1.4430 4.7019 5.6005 11.4985 5.1170 3.4319 7.2124 8.0422 7.4963 7.2443 4.3073 6.1582 3.9120 6.4633 4.9545 5.7522 5.0127 5.8706 5.4960 5.1773 1.5565 5.7867 4.9559 3.5111 4.0478 11.3049 3.0833 4.2507 3.3095 5.3614 10.4615 6.9725 2.6124 4.7425 1.8508 2.3041 1.6722 7.1381 8.6082 6.8805 6.4206 6.2611 11.4943 3.4542 7.6321 3.7710 5.9928 5.5578 5.5492 1.2713 1.6118 5.8985 1.3843 5.0688 1.8845 1.5703 1.3920 4.8450 1.3644 1.3357 1.6428 3.3784 3.2978 1.3412 2.3132 3.2510 7.9142 1.5325 2.4523 4.6458 2.6513 2.9193 2.9782 1.7922 1.1921 2.5522 1.1124 2.1078 1.8410 2.1196 1.9930 4.6474 1.6649 1.3067 1.2802 1.7944 3.6180 2.6571 1.6506 1.2471 2.5181 1.0952 7.5641 1.0444 1.1238 1.1714 2.4079 2.1879 8.2837 2.7150 6.6828 2.8723 7.8935 5.5932 5.3275 1.1366 8.5946 1.0374 1.0591 1.1028 1.0596 1.1024 1.1077 1.1072 1.0921 1.0899 1.0928 1.0908 1.0968 1.0950 1.0932 1.0471 1.1003 1.0779 0.0002 0.0004 0.0011 0.0023 0.0019 0.0010 0.0035 0.0067 0.0267 0.0205 0.0158 0.0451 0.0684 0.0932 0.1108 0.0673 0.1240 0.0856 0.1721 0.1601 0.2223 0.2436 0.3152 0.3014 0.3431 0.1070 0.4680 0.4175 0.3033 0.3523 1.4173 0.3931 0.5765 0.4848 0.8112 1.7434 1.2646 0.5053 0.9619 0.3859 0.5372 0.4168 2.0270 2.5857 2.1619 2.1720 2.1758 4.0932 1.2400 2.8839 1.4946 2.5095 2.4558 2.6802 0.6351 0.8444 3.1224 0.7419 2.7204 1.1556 0.9664 0.8620 3.1969 0.9170 0.9398 1.1710 2.4324 2.4444 0.9966 1.7610 2.5104 6.4607 1.2534 2.0651 3.9889 2.3029 2.6002 2.8625 1.7695 1.1872 2.5513 1.1130 2.2167 2.0354 2.4017 2.3391 5.5343 2.0218 1.6188 1.6125 2.3663 4.8661 3.7723 2.3701 1.8094 3.6700 1.6547 11.7961 1.6368 1.7793 1.8923 3.9102 3.6332 14.0469 4.7360 12.4489 5.4221 14.9866 10.7879 10.3669 2.3206 19.7126 6.2827 6.5511 6.9038 6.6683 7.0045 7.1118 7.1944 7.2773 7.3812 7.4154 7.4022 7.5001 7.5104 7.7432 8.6237 9.5620 9.4892 0.1006 0.1334 0.1196 0.2137 0.5780 0.0780 0.6418 6.5427 0.3113 1.2799 13.8512 3.9234 5.6376 2.2006 6.2059 0.3546 0.5101 0.5207 1.0438 3.5601 1.2242 4.0139 6.3201 12.9106 8.0684 33.3695 1.2072 2.1268 8.5277 2.8321 1.2636 0.0456 1.0711 6.8957 2.1697 21.9936 4.7081 10.3542 13.1935 66.1322 11.5576 9.8294 0.4256 26.5051 9.5653 28.0493 16.4805 3.7091 0.4427 5.0440 3.1067 3.5641 34.5963 20.2602 7.0480 69.7172 63.2793 42.5314 4.5733 25.8103 138.8217 0.5258 10.3692 0.6853 0.1801 11.0958 16.6162 18.9399 4.6136 100.0222 14.7225 94.8435 2.6974 2.6883 21.0702 21.7485 7.2374 20.1355 16.3787 33.7906 180.6564 0.1363 6.6648 0.5883 193.8498 78.6075 515.5953 91.1835 8.1886 5.2713 78.0325 30.8952 93.1196 79.1230 2.9791 14.0921 26.9406 186.2290 4.6866 39.3339 36.2068 17.7253 240.5267 81.9931 495.2821 29.9836 308.1698 6.5122 61.1279 85.1570 45.5515 205.9426 45.6608 17.0874 27.2998 16.2602 22.7518 16.5598 0.0100 18.1732 7.6857 4.5349 5.4718 6.0595 8.1014 3.9305 8.3065 17.9917 59.6042 1.4654 1.8089 1.6418 2.7080 1.8762 0.4364 4.3685 2.4805 0.3569 1.7228 0.7541 1.1768 0.4406 0.3966 0.1335 2.1829 0.5786 0.8729 1.5721 2.0021 0.4266 0.8634 2.7456 3.0542 1.3984 2.6687 2.9135 7.0888 1.0942 3.5313 3.2174 0.1465 1.6046 0.2137 0.5998 0.6066 4.1490 0.6357 3.9171 1.4809 0.7874 0.1172 6.1051 3.5939 12.4612 1.8224 4.0823 0.7366 0.6843 5.9128 2.4232 28.5305 4.5443 4.2727 2.1385 0.9956 14.5128 2.7037 45.0866 0.9657 2.6616 3.5708 2.4495 2.3320 0.1763 10.0164 1.7158 1.2935 0.9909 2.4778 6.3654 7.7225 0.0423 4.2678 17.9627 7.1399 15.8450 3.9772 0.9399 4.6754 17.0890 10.3524 3.7454 11.9615 15.1122 3.5801 18.6730 14.3232 1.1545 2.0785 14.0930 11.3218 10.8683 6.5568 20.7662 2.3688 6.7871 56.1735 22.2493 19.4763 9.1864 22.3907 1.3967 47.1580 6.3973 5.7375 11.9620 84.1235 31.6348 138.2898 8.5439 26.1690 204.3517 76.9995 113.8780 54.5738 67.5813 38.1130 28.6454 105.4730 31.4456 68.0900 76.5042 96.8734 132.7979 60.7854 72.3143 39.9738 56.7958 0.7500 0.7491 0.7488 0.7495 0.7365 0.7338 0.7498 0.7490 0.6919 0.7487 0.7372 0.3201 0.3713 0.3935 0.7480 0.7500 0.5015 0.7481 0.6511 0.4847 0.6532 0.6529 0.2237 0.2104 0.2519 0.6650 0.7138 0.1656 0.7474 0.7492 0.5216 0.6882 0.7433 0.7495 0.5683 0.2912 0.6688 0.7382 0.5033 0.7499 0.7491 0.7453 0.7475 0.3792 0.2604 0.6752 0.7473 0.5578 0.7450 0.1266 0.7459 0.2051 0.3154 0.4977 0.7483 0.6554 0.2034 0.3467 0.1273 0.6694 0.4546 0.7500 0.1460 0.7466 0.7452 0.7452 0.0951 0.2669 0.7500 0.7484 0.2824 0.6833 0.7500 0.2887 0.3004 0.1536 0.5285 0.1629 0.4296 0.2039 0.3155 0.7500 0.1377 0.3797 0.1395 0.5922 0.1751 0.1658 0.7479 0.7408 0.3154 0.5199 0.3070 0.7337 0.4993 0.1842 0.5739 0.3077 0.7500 0.7144 0.6950 0.3165 0.3173 0.2889 0.7178 0.6466 0.7029 0.2949 0.5866 0.4541 0.7344 0.2287 0.0505 0.0305 0.7500 0.0288 0.7483 0.6603 0.7499 0.3247 0.7469 0.2856 0.6675 0.1567 0.1383 0.2140 0.0781 0.7415 0.1456 0.8571 0.8566 0.8563 0.8568 0.8483 0.8465 0.8570 0.8565 0.8179 0.8563 0.8487 0.4849 0.5415 0.5647 0.8558 0.8571 0.6680 0.8559 0.7887 0.6529 0.7902 0.7900 0.3657 0.3476 0.4024 0.7988 0.8330 0.2841 0.8554 0.8566 0.6856 0.8153 0.8528 0.8568 0.7247 0.4511 0.8015 0.8494 0.6696 0.8571 0.8566 0.8541 0.8555 0.5499 0.4132 0.8061 0.8554 0.7162 0.8538 0.2248 0.8545 0.3404 0.4796 0.6647 0.8560 0.7919 0.3381 0.5149 0.2258 0.8020 0.6250 0.8571 0.2548 0.8549 0.8540 0.8540 0.1737 0.4213 0.8571 0.8561 0.4405 0.8118 0.8571 0.4480 0.4620 0.2662 0.6915 0.2801 0.6010 0.3387 0.4797 0.8571 0.2420 0.5504 0.2449 0.7439 0.2980 0.2845 0.8558 0.8511 0.4796 0.6841 0.4698 0.8464 0.6660 0.3111 0.7293 0.4705 0.8571 0.8334 0.8200 0.4808 0.4817 0.4483 0.8357 0.7854 0.8256 0.4555 0.7394 0.6246 0.8468 0.3723 0.0961 0.0592 0.8571 0.0560 0.8560 0.7954 0.8571 0.4902 0.8551 0.4443 0.8006 0.2710 0.2429 0.3525 0.1448 0.8515 0.2542 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 6 6 6 6 6 6 6 35 7 6 8 6 16 6 7 7 6 7 7 6 8 6 6 6 6 6 6 17 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 78.91834 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 14.00307 12.00000 15.99491 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 1.00783 1.00783 1.00783 3879.6796 65138.9283 67585.5400 0.99994 0.01127 -0.00164 -0.01130 0.99972 -0.02069 0.00141 0.02071 0.99978 1 0.02233 0.00133 0.00128 0.46518 0.02771 0.02670 8.73 14.35 21.32 42.62 46.40 48.19 51.24 64.71 90.30 118.73 127.02 148.25 172.84 209.03 231.85 234.31 266.01 277.34 305.85 336.94 368.47 413.24 434.30 438.92 482.50 491.45 533.04 544.06 550.94 553.01 663.68 669.29 690.29 717.44 729.10 765.19 798.26 824.37 844.19 855.87 905.09 935.78 998.86 1027.31 1050.70 1090.22 1104.98 1118.55 1123.08 1152.23 1180.05 1212.97 1245.98 1302.67 1324.89 1356.70 1363.78 1372.22 1373.19 1467.84 1470.44 1475.03 1522.60 1536.66 1572.22 1582.49 1590.49 1613.77 1615.78 1635.45 1647.13 1693.57 1695.23 1720.09 1736.85 1746.95 1768.99 1837.64 1862.54 1870.59 1874.10 1874.89 1922.22 1970.91 1995.28 2030.70 2045.46 2065.58 2086.34 2103.70 2152.51 2173.84 2233.43 2246.08 2257.86 2262.88 2303.96 2340.77 2346.54 2358.53 2382.39 2388.60 2415.46 2440.89 2475.65 2558.32 2575.37 2582.78 2603.19 2614.77 2678.29 2838.75 4612.73 4661.94 4689.95 4702.20 4724.91 4749.43 4778.13 4838.69 4877.93 4882.67 4882.88 4901.55 4908.98 4988.63 5379.16 5525.75 5561.40 0.362524 0.388322 0.389266 0.297525 -4539.967184 -4539.941387 -4539.940443 -4540.032183 3.076975D-04 MUNgauss RevisionA2.1 retrievium 21-May-2021 DUDE Cc1ccc(c(c1)Br)NC(=O)CSc2nnc(n2N)COc3ccc(cc3)Cl C02875378 RHF 6-31G(d) (6D,10F) C1 480.997486 |X|Y|Z| 41.567420 23.277669 181.589708 56.009444 23 6 7 8 16 17 4 1 1 |36.858105| |12.612027|36.858105| |7.537033|13.700837|36.858105| |5.003130|7.858630|13.809686|36.858105| |4.391322|6.736993|7.906767|13.653516|36.858105| |5.013852|7.915399|6.971682|8.011764|13.705978|36.858105| |7.545585|13.776421|8.040340|6.900935|7.855298|13.760128|36.858105| |3.569864|4.602831|4.105910|4.576996|6.617766|9.982896|6.741054|2539.412838| |3.317371|4.501367|5.128270|7.733019|13.558080|7.888243|5.152655|209.975790|53.358707| |2.842150|3.653214|4.330355|6.301741|7.642169|5.128190|3.879556|147.180584|19.082030|36.858105| |2.842525|3.597177|4.508244|6.581573|6.483158|4.421240|3.592526|121.231064|11.403827|15.925792|73.516695| |2.355739|2.895020|3.242401|4.223395|5.058502|3.996839|3.131326|131.975862|10.840813|12.532983|14.215049|36.858105| |2.030855|2.408301|2.727592|3.394122|3.655343|2.985876|2.499464|96.636716|6.538036|7.003079|11.935004|10.510219|388.023441| |1.773212|2.061263|2.252352|2.691055|2.958501|2.566321|2.175727|88.453850|5.115463|4.689260|7.559109|7.115242|77.192210|36.858105| |1.752995|2.035935|2.178909|2.578504|2.917002|2.603726|2.191726|94.021442|5.058746|4.326039|6.640153|6.600764|49.447368|14.851382|53.358707| |1.558582|1.778195|1.883918|2.175472|2.414624|2.206523|1.902280|80.178252|3.998429|3.303573|5.278124|4.480491|35.060463|8.908007|18.939343|53.358707| |1.485231|1.683065|1.799696|2.068739|2.241958|2.030292|1.772940|71.744834|3.650510|3.079546|5.112168|4.018489|35.259534|8.866248|12.103081|20.280770|36.858105| |1.586229|1.811300|1.970221|2.297728|2.462038|2.174361|1.889483|74.660630|4.059646|3.589377|6.089327|4.763747|49.722166|14.032491|11.970863|11.989043|13.988692|53.358707| |1.517761|1.717205|1.883231|2.174722|2.266163|1.995126|1.762071|66.916883|3.633898|3.220118|5.742051|3.946864|42.379326|7.674409|7.380634|7.431734|7.809430|18.773470|53.358707| |1.331175|1.487820|1.580763|1.784924|1.907992|1.752392|1.557113|61.840695|3.017922|2.489079|4.215983|3.060701|25.999642|5.299986|7.211757|10.505952|12.785761|10.290347|8.634721|36.858105| |1.290534|1.436068|1.528355|1.717466|1.818985|1.670362|1.494098|58.425405|2.848481|2.347962|4.028635|2.823677|24.142803|4.593032|6.027569|7.820609|8.148421|8.584451|8.116718|13.579481|73.516695| |1.183849|1.304891|1.382558|1.535277|1.612598|1.493918|1.351524|52.153256|2.481861|2.017628|3.494208|2.354746|19.633589|3.476623|4.603495|5.672060|5.263939|6.036887|6.125633|8.004108|25.087187|36.858105| |1.149551|1.261467|1.337251|1.477117|1.539927|1.428138|1.300078|49.504131|2.347724|1.902271|3.323872|2.178691|18.056460|3.048892|3.992637|4.659132|4.103897|5.070233|5.294368|5.257620|14.585455|13.679043|36.858105| |1.062373|1.156962|1.221464|1.336780|1.386234|1.294659|1.188679|44.832021|2.087829|1.674026|2.938066|1.883050|15.313775|2.505478|3.307474|3.782791|3.210953|4.030122|4.233605|3.985250|9.417661|7.926955|13.837112|36.858105| |1.013506|1.100374|1.157440|1.261985|1.309716|1.229224|1.131633|42.735694|1.965690|1.566594|2.743808|1.757522|14.142488|2.314669|3.088937|3.559929|2.993369|3.702027|3.862013|3.797768|8.227753|6.879364|7.968670|13.726151|36.858105| |1.035997|1.127911|1.185441|1.296474|1.352205|1.269212|1.164062|44.361107|2.040150|1.627230|2.834130|1.843576|14.840866|2.481405|3.340754|3.946254|3.356153|4.023424|4.143094|4.512167|9.233956|7.935556|6.891318|7.946955|13.846187|36.858105| |1.117125|1.225019|1.291407|1.424510|1.495096|1.395466|1.269109|48.919515|2.282995|1.836527|3.178902|2.121076|17.319999|3.011603|4.059777|4.987980|4.434249|5.068530|5.130385|6.723546|13.984135|13.760302|7.935048|6.866765|7.946806|13.702106|36.858105| |0.928874|1.001058|1.048976|1.133821|1.170671|1.105535|1.026164|38.357982|1.737390|1.372184|2.412825|1.514823|12.000177|1.911007|2.557924|2.877489|2.351103|2.970012|3.097838|2.829411|5.778595|4.220021|4.767797|7.016833|10.916613|7.032000|4.755849|448.794386| |17.548332|8.843622|6.695656|4.585615|3.941138|4.299696|5.878877|107.903867|4.170229|2.686725|4.843988|2.239606|13.946189|1.711688|2.292427|2.046481|1.439979|2.096112|2.016734|1.295462|2.248394|1.163277|1.135852|1.051506|1.000449|1.018325|1.095075|7.375688|0.500000| |17.581928|8.839690|5.564661|4.160862|3.933555|4.747003|7.240054|123.732751|4.171758|2.607860|4.547277|2.214497|13.521603|1.688999|2.296626|2.053903|1.430884|2.061098|1.962771|1.286886|2.215408|1.145780|1.111841|1.029696|0.984551|1.007135|1.084343|7.258009|0.301882|0.500000| |17.548106|8.843572|6.692968|4.584691|3.941233|4.300540|5.880636|107.928946|4.170081|2.688046|4.848891|2.240259|13.950897|1.712132|2.292311|2.046586|1.440523|2.097392|2.019469|1.295965|2.228214|1.152722|1.117700|1.035253|0.990548|1.013908|1.091727|7.301564|0.302150|0.301881|0.500000| |6.988766|8.914952|17.702968|9.009938|5.648822|5.002090|5.687097|113.411205|5.668199|3.774516|7.304901|2.903280|18.139570|2.106548|2.744555|2.398048|1.702530|2.545123|2.467866|1.508285|2.605644|1.333306|1.295238|1.187766|1.125618|1.149414|1.246869|8.220108|0.189879|0.140223|0.189726|0.500000| |4.093085|5.625824|8.956252|17.833774|8.933107|5.686682|4.975671|129.379927|9.606477|6.951874|15.328958|4.477438|26.865389|2.868654|3.639648|3.058686|2.167424|3.339587|3.204634|1.864291|3.198937|1.604089|1.545277|1.394276|1.312047|1.346210|1.481891|9.436668|0.108294|0.095946|0.108267|0.218036|0.500000| |6.956136|8.914122|5.679770|4.969278|5.631732|8.982133|17.746723|225.242617|5.716883|3.273655|5.369699|2.769306|15.938484|2.000512|2.774479|2.438997|1.664855|2.386055|2.222071|1.473863|2.514406|1.285896|1.237590|1.136234|1.085017|1.116191|1.212782|7.928167|0.151520|0.220878|0.151587|0.124382|0.107955|0.500000| |3.069972|4.038178|4.286042|5.747647|9.358903|7.533454|4.871854|258.086654|26.058272|9.486292|10.871141|7.840938|32.217088|3.822062|5.411478|4.247317|2.770492|4.090590|3.576939|2.278634|3.793557|1.853811|1.743786|1.548716|1.461754|1.523003|1.709249|10.353008|0.078527|0.081054|0.078496|0.098245|0.144026|0.115866|0.500000| |2.290833|2.794990|3.056611|3.876718|4.727841|3.921016|3.072823|136.381439|9.688003|8.848099|10.982341|17.614290|56.428858|6.750727|9.442865|6.391197|4.066319|6.282969|5.110492|3.095360|4.921426|2.317121|2.111724|1.834640|1.733829|1.839487|2.122186|12.012438|0.059759|0.060428|0.060972|0.075799|0.110732|0.076549|0.214468|0.500000| |2.291029|2.795470|3.058311|3.880555|4.731167|3.920643|3.072541|136.267533|9.708234|8.844831|10.962170|17.615746|56.450981|6.748232|9.475192|6.395528|4.059534|6.261964|5.075880|3.091220|5.154696|2.407907|2.243394|1.930616|1.789249|1.867005|2.148150|12.354771|0.060967|0.060426|0.059779|0.075848|0.110899|0.076527|0.215334|0.303248|0.500000| |1.530817|1.730618|1.907705|2.202474|2.273716|1.992536|1.765556|66.137925|3.623637|3.227737|5.855683|3.864527|41.813433|6.728574|6.607936|6.454260|6.263179|13.203754|25.908458|5.305372|9.926463|4.335067|3.984579|3.169949|2.810611|2.921085|3.526333|18.203114|0.041773|0.040284|0.041445|0.051238|0.066686|0.045326|0.072112|0.098454|0.103285|0.500000| |1.559714|1.767169|1.952342|2.261331|2.334421|2.038286|1.802483|67.479129|3.731981|3.348445|6.092505|4.016849|44.374497|6.960231|6.712590|6.429421|6.132819|13.219983|25.911607|5.094392|8.231121|3.736614|3.282909|2.730789|2.543439|2.732449|3.291412|16.792578|0.042168|0.040998|0.042593|0.052399|0.068626|0.046189|0.074056|0.107343|0.101232|0.322630|0.500000| |1.298672|1.446307|1.540980|1.733888|1.836136|1.683274|1.504328|58.811278|2.880040|2.382186|4.091375|2.873700|24.793932|4.771551|6.190107|8.100383|8.968361|9.276314|8.926448|17.581881|16.537830|7.143888|4.819699|3.834494|3.789564|4.634890|6.837488|22.899865|0.035075|0.034813|0.035312|0.041049|0.050520|0.039523|0.059868|0.081317|0.078627|0.145294|0.153478|0.500000| |1.291055|1.438275|1.513970|1.698885|1.828598|1.701047|1.514552|60.974626|2.876673|2.324774|3.894886|2.839166|22.847971|4.517285|6.654770|10.073610|9.113006|7.712631|6.425594|17.609944|16.457369|6.991199|4.738721|3.772562|3.725614|4.548786|6.683893|22.589206|0.034836|0.034855|0.034883|0.040009|0.048808|0.040087|0.061026|0.081106|0.080574|0.114141|0.112027|0.299031|0.500000| 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