Version2.2 2021-02-27T12:27:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 21-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)c1ccc(cc1)c2nnc(n2N)SCc3[nH]c4ccsc4c(=O)n3 C32666533 RHF 6-31G(d) (6D,7F) CC(C)(C)c1ccc(cc1)c2nnc(n2N)SCc3[nH]c4ccsc4c(=O)n3 C01[X(C19H20N6O1S2)] 138 C1 468 Nn1c(nnc1c1ccc(cc1)C(C)(C)C)SCc1nc(=O)c2c([nH]1)ccs2 Nn1c(nnc1c1ccc(cc1)C(C)(C)C)SCc1nc(=O)c2c([nH]1)ccs2 CC(C)(C)c1ccc(cc1)c2nnc(SCC3=NC(=O)c4sccc4N3)n2N InChIKey=RMWQWJZSCYHQHA-UHFFFAOYSA-N InChI=1S/C19H20N6OS2/c1-19(2,3)12-6-4-11(5-7-12)16-23-24-18(25(16)20)28-10-14-21-13-8-9-27-15(13)17(26)22-14/h4-9H,10,20H2,1-3H3,(H,21,22,26) InChI=1/C19H20N6OS2/c1-19(2,3)12-6-4-11(5-7-12)16-23-24-18(25(16)20)28-10-14-21-13-8-9-27-15(13)17(26)22-14/h4-9H,10,20H2,1-3H3,(H,21,22,26)/f/h21H CC(C)(C)c1ccc(cc1)c2nnc(n2N)SCc3[nH]c4ccsc4c(=O)n3 C01[X(C19H20N6O1S2)] 138 C01 468 Nn1c(nnc1c1ccc(cc1)C(C)(C)C)SCc1nc(=O)c2c([nH]1)ccs2 NN1[C]([N][N]=C1[C]1[CH][CH][C]([CH][CH]1)C(C)(C)C)SCC1=NC(=O)[C]2[C]([CH]=[CH]S2)N1 CC(C)(C)[C]1[CH][CH][C]([CH][CH]1)C2=N[N][C](SCC3=NC(=O)[C]4SC=C[C]4N3)N2N InChIKey=RMWQWJZSCYHQHA-UHFFFAOYSA-N InChI=1S/C19H20N6OS2/c1-19(2,3)12-6-4-11(5-7-12)16-23-24-18(25(16)20)28-10-14-21-13-8-9-27-15(13)17(26)22-14/h4-9H,10,20H2,1-3H3,(H,21,22,26) InChI=1/C19H20N6OS2/c1-19(2,3)12-6-4-11(5-7-12)16-23-24-18(25(16)20)28-10-14-21-13-8-9-27-15(13)17(26)22-14/h4-9H,10,20H2,1-3H3,(H,21,22,26)/f/h21H 2629.6558595365 -1927.6709017 1-A 26571.2098 108 360 468 |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|A| -91.98529 -91.96643 -20.51985 -15.66377 -15.64432 -15.62626 -15.57599 -15.57261 -15.55764 -11.36102 -11.34654 -11.32594 -11.31428 -11.30848 -11.29122 -11.28361 -11.26253 -11.26204 -11.25980 -11.25462 -11.25331 -11.25316 -11.24552 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412.11400 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| 10.4703 18.2692 25.3446 34.1941 42.3779 60.8856 65.6488 83.9403 103.0418 114.4796 124.4578 166.7942 174.8009 194.6311 222.9479 236.4148 244.3468 255.9650 268.1915 276.8464 296.9131 301.9606 314.5697 334.7171 337.2892 352.3757 368.8749 390.4088 420.5468 432.9664 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3411.3696 3441.0079 3756.9303 3860.8936 3877.3405 6.6414 4.6601 6.5420 4.2401 6.0870 4.3907 4.8475 7.0799 4.0358 8.4383 4.6303 5.2651 5.1715 4.6534 5.4347 3.0298 2.1897 1.9356 2.9836 6.5850 1.9808 1.1985 6.5552 1.9126 5.0834 2.6944 1.0484 2.7731 3.3129 4.3291 2.9758 4.2853 1.1893 5.8990 3.9838 4.5660 7.1611 9.0857 3.7006 3.3100 6.7620 3.0224 4.8196 7.2495 6.8813 3.2714 10.1058 9.1641 7.5863 6.6763 6.3512 6.8579 1.6497 4.3914 5.5354 5.9905 2.6277 4.4606 1.4234 1.4377 1.7963 1.6374 1.6688 1.7118 1.2993 1.1944 3.6989 4.9122 1.6092 1.5368 2.5014 1.4533 5.1648 1.3858 7.7111 2.0193 2.7712 2.3777 2.0300 3.1511 2.7760 3.2169 1.0951 1.1632 2.6273 2.5583 2.0323 6.4456 2.8652 2.2125 1.2052 1.3959 3.2738 2.0650 1.5909 2.7019 1.2366 1.9443 1.2219 1.4585 2.8879 6.7849 1.0498 1.0483 1.0603 1.0693 1.0515 1.0647 7.7600 2.7843 4.5995 6.3174 6.5446 4.0454 5.4590 8.3007 1.1375 12.9766 1.0362 1.0366 1.0375 1.0594 1.1033 1.1030 1.1035 1.1024 1.1027 1.1018 1.1066 1.0904 1.0891 1.0926 1.0954 1.0925 1.0991 1.0474 1.0997 1.0801 0.0004 0.0009 0.0025 0.0029 0.0064 0.0096 0.0123 0.0294 0.0252 0.0652 0.0423 0.0863 0.0931 0.1039 0.1592 0.0998 0.0770 0.0747 0.1264 0.2974 0.1029 0.0644 0.3822 0.1262 0.3407 0.1971 0.0840 0.2490 0.3452 0.4781 0.3688 0.5724 0.1679 0.8640 0.5949 0.6934 1.2036 1.6580 0.7746 0.7822 1.6772 0.7766 1.2939 1.9639 1.9918 1.0163 3.4298 3.2637 2.7433 2.4994 2.4295 2.6889 0.6684 1.8139 2.5731 2.8078 1.2912 2.2522 0.7485 0.7833 1.0790 0.9852 1.0093 1.0509 0.8096 0.7785 2.5217 3.4055 1.1247 1.1238 1.8374 1.1130 4.0025 1.0871 6.1572 1.6860 2.3721 2.1102 1.8436 2.9213 2.6752 3.1120 1.1163 1.2043 2.8220 2.8144 2.2392 7.3966 3.3842 2.7044 1.5104 1.7588 4.3512 2.7574 2.2501 3.8282 1.7627 2.8217 1.8129 2.2163 4.4179 10.4356 1.6456 1.6494 1.6770 1.7181 1.7026 1.7456 12.9419 4.6773 7.7800 11.3113 12.1838 7.5648 10.7606 16.6403 2.3242 29.8788 6.2628 6.2674 6.3117 6.6217 6.9229 6.9267 6.9595 6.9690 6.9841 6.9942 7.1207 7.2800 7.3305 7.4502 7.4700 7.4908 7.6677 8.7106 9.6583 9.5669 1.8452 3.1131 2.9898 2.7399 3.6690 4.1169 4.2032 2.3350 5.7036 0.2906 2.4789 0.6349 0.0769 2.4921 1.7196 2.7270 1.1402 0.6570 6.1525 6.4803 12.3686 0.3809 0.1316 16.7137 8.4840 1.9837 0.0134 0.2214 1.0171 0.7900 0.0358 0.6018 109.4794 8.8539 2.4966 1.0524 0.9122 4.1322 8.4066 13.0970 5.2422 0.6518 4.0225 1.8495 1.1030 19.3542 3.3200 12.7779 0.4251 2.2552 9.1604 15.9894 21.7708 4.9171 22.5054 72.9781 0.3408 9.5247 31.2512 17.3823 5.1730 108.5370 42.7137 0.3289 0.0015 0.1826 73.4346 19.5682 24.6023 0.4329 1.2362 3.2202 120.9938 0.0060 0.1228 1.9481 12.0065 22.0293 9.5557 4.0452 16.0477 10.9740 0.3081 1.1100 2.3615 3.7435 117.5290 13.1444 30.7033 92.9040 4.0685 1.0352 4.0766 37.5701 1.7938 5.0700 3.3322 13.1693 2.8411 20.1068 2.0644 25.3631 0.0180 0.0514 1.9892 6.7284 5.1266 2.3210 225.9509 78.1230 417.1465 17.4132 8.0242 94.2290 15.2896 471.0361 47.6751 582.6159 28.5813 33.0329 30.8861 11.6410 6.3805 6.3286 33.8237 119.0735 32.1253 64.6325 0.6677 23.3486 14.1915 3.5768 8.7915 11.8874 0.8118 7.4872 14.5189 94.4968 0.2716 3.0661 0.6495 1.1147 1.1098 2.6872 3.3042 1.5238 0.4567 0.7525 1.1784 1.4007 0.2014 3.1728 0.2453 0.5363 0.8495 0.4670 0.7511 2.2574 1.0801 0.2202 0.2742 0.9839 0.7088 1.4879 0.1068 0.7198 0.1511 0.2137 1.1781 2.1385 0.4901 4.3864 1.3794 3.1012 3.5195 1.5963 0.8693 4.3325 9.3580 0.2332 0.9312 12.8129 6.7738 0.5301 14.2409 0.8245 1.2065 2.7999 3.7551 25.5002 1.6140 3.0561 11.4563 3.3823 10.0282 9.8620 4.5529 2.8839 1.5224 7.6042 8.4271 8.4525 0.2716 0.0343 6.2427 2.0844 2.2578 0.8128 0.8737 5.3003 2.2243 4.0391 71.5276 5.8097 4.8152 5.8531 9.6131 3.0453 2.9297 1.3272 11.0047 15.9820 9.2819 9.2639 6.2408 2.7407 3.7180 1.6295 4.4936 4.4346 15.2780 14.8641 2.5803 18.8304 1.7878 2.9021 1.1892 37.7933 99.0385 91.2275 13.9285 13.0176 23.5495 21.6451 20.3080 4.6827 133.8160 34.4216 29.4768 109.2587 112.0530 11.6041 582.0162 41.2352 39.6242 49.3096 5.3674 2.4148 334.5197 77.6999 15.7988 20.7274 32.1995 246.4444 52.6508 78.0309 38.8317 46.1804 56.8212 84.3810 74.2581 101.3779 174.4444 80.4673 43.5747 59.3642 0.7489 0.7320 0.7332 0.6306 0.7184 0.6386 0.6633 0.7232 0.7346 0.1852 0.5092 0.7446 0.4006 0.5293 0.5328 0.1723 0.5241 0.4421 0.5448 0.3209 0.7356 0.3021 0.7499 0.5381 0.1579 0.6729 0.6186 0.7470 0.7390 0.7472 0.5065 0.7263 0.7494 0.7348 0.7455 0.7500 0.7140 0.5624 0.2805 0.1358 0.2265 0.7497 0.6651 0.2431 0.7428 0.7499 0.1201 0.5320 0.7492 0.3628 0.1036 0.0396 0.7500 0.6167 0.2545 0.7491 0.7166 0.2761 0.5660 0.3397 0.7474 0.6120 0.6759 0.6981 0.7500 0.5506 0.2202 0.3505 0.3453 0.4214 0.7496 0.6113 0.7158 0.7499 0.2679 0.4074 0.7493 0.1786 0.5258 0.5215 0.6703 0.1090 0.7499 0.1386 0.7494 0.4814 0.6728 0.0962 0.0390 0.2523 0.4687 0.7361 0.4244 0.4171 0.5384 0.3936 0.7493 0.3967 0.7407 0.3745 0.2251 0.3079 0.7500 0.7499 0.7126 0.7005 0.7500 0.2045 0.2854 0.2842 0.3873 0.2895 0.2760 0.4949 0.3774 0.2127 0.3630 0.2022 0.3639 0.7078 0.0278 0.0265 0.7402 0.7497 0.7344 0.6559 0.7349 0.7347 0.7497 0.4606 0.4905 0.4666 0.1619 0.1881 0.2515 0.0923 0.7475 0.1901 0.8565 0.8453 0.8461 0.7735 0.8362 0.7794 0.7976 0.8394 0.8470 0.3126 0.6748 0.8536 0.5721 0.6922 0.6952 0.2939 0.6878 0.6132 0.7054 0.4859 0.8476 0.4640 0.8571 0.6997 0.2727 0.8045 0.7643 0.8552 0.8499 0.8553 0.6724 0.8414 0.8568 0.8471 0.8542 0.8571 0.8331 0.7199 0.4382 0.2391 0.3694 0.8570 0.7988 0.3911 0.8524 0.8571 0.2145 0.6945 0.8566 0.5324 0.1878 0.0763 0.8571 0.7629 0.4058 0.8566 0.8349 0.4328 0.7229 0.5071 0.8555 0.7593 0.8066 0.8222 0.8571 0.7102 0.3609 0.5191 0.5134 0.5929 0.8569 0.7588 0.8344 0.8571 0.4226 0.5789 0.8567 0.3031 0.6892 0.6855 0.8026 0.1965 0.8571 0.2435 0.8567 0.6499 0.8044 0.1755 0.0751 0.4029 0.6382 0.8480 0.5959 0.5887 0.6999 0.5649 0.8567 0.5680 0.8510 0.5450 0.3674 0.4709 0.8571 0.8571 0.8322 0.8238 0.8571 0.3395 0.4441 0.4426 0.5583 0.4491 0.4326 0.6621 0.5480 0.3508 0.5326 0.3364 0.5336 0.8289 0.0541 0.0516 0.8507 0.8569 0.8468 0.7922 0.8472 0.8471 0.8570 0.6307 0.6581 0.6363 0.2787 0.3167 0.4019 0.1690 0.8555 0.3194 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 6 6 6 6 6 6 6 6 6 6 7 7 6 7 7 16 6 6 7 1 6 6 6 16 6 6 8 7 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 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 14.00307 31.97207 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 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 1.00783 1.00783 2241.5695 46684.7126 48241.3592 0.99999 -0.00484 -0.00084 0.00483 0.99990 -0.01327 0.00091 0.01327 0.99991 1 0.03864 0.00186 0.00180 0.80512 0.03866 0.03741 15.06 26.29 36.47 49.20 60.97 87.60 94.45 120.77 148.25 164.71 179.07 239.98 251.50 280.03 320.77 340.15 351.56 368.28 385.87 398.32 427.19 434.45 452.60 481.58 485.28 506.99 530.73 561.71 605.07 622.94 659.86 685.04 704.22 717.37 724.37 730.47 768.45 800.72 857.56 911.21 933.52 950.18 971.23 975.61 1008.46 1044.76 1091.98 1118.61 1127.17 1146.89 1159.32 1173.71 1193.08 1204.69 1277.98 1283.28 1313.93 1331.91 1359.27 1383.54 1452.74 1453.93 1457.76 1468.68 1479.65 1513.26 1547.68 1560.71 1567.00 1602.89 1606.49 1640.31 1650.08 1660.16 1674.95 1712.79 1734.20 1765.83 1786.29 1804.79 1840.07 1843.61 1892.48 1907.24 1942.64 1965.98 1967.53 2007.94 2037.13 2072.33 2098.43 2104.00 2160.96 2166.00 2229.21 2231.13 2237.89 2258.07 2283.17 2310.60 2318.36 2324.65 2346.84 2351.21 2357.39 2376.00 2385.14 2400.04 2420.67 2429.45 2437.82 2508.16 2557.52 2563.21 2631.66 2653.95 2679.36 2844.26 4608.25 4609.12 4623.18 4686.23 4695.36 4697.20 4707.41 4712.84 4717.41 4722.59 4754.88 4843.26 4862.95 4894.74 4894.91 4908.20 4950.84 5405.38 5554.96 5578.63 0.404318 0.428773 0.429717 0.346224 -1927.266584 -1927.242129 -1927.241185 -1927.324677 2.800335D-04 MUNgauss RevisionA2.1 retrievium 27-Feb-2021 DUDE CC(C)(C)c1ccc(cc1)c2nnc(n2N)SCc3[nH]c4ccsc4c(=O)n3 C32666533 RHF 6-31G(d) (6D,10F) C1 412.114003 |X|Y|Z| 34.509532 18.776733 158.201542 46.801159 22 6 7 16 15 5 2 |36.858105| |12.360441|36.858105| |7.567921|12.360599|36.858105| |7.652771|12.400572|7.652302|36.858105| |7.577104|12.388711|7.577143|7.459713|36.858105| |6.218380|7.492160|6.220586|4.938730|13.629814|36.858105| |4.381686|4.978951|4.380782|3.825841|7.849595|13.817099|36.858105| |3.754391|4.367819|3.751936|3.686011|6.745338|7.916935|13.681469|36.858105| |4.003848|4.946861|4.005834|4.454042|7.863503|6.930770|7.990656|13.751658|36.858105| |5.270545|7.401147|5.275801|6.588876|13.712502|8.018056|6.910337|7.898230|13.729273|36.858105| |2.932103|3.264382|2.933804|2.881531|4.431388|5.085510|7.703891|12.913538|7.591122|5.039807|36.858105| |2.605468|2.871107|2.697265|2.527289|3.712530|4.378897|6.336567|7.770192|5.275839|3.972121|14.865500|53.358707| |2.233531|2.411823|2.267098|2.182610|2.988995|3.376294|4.451565|5.314259|4.136115|3.227597|8.860386|18.943736|53.358707| |2.236518|2.400797|2.202381|2.211794|2.976310|3.250540|4.186940|5.299759|4.353915|3.321104|8.821888|12.120376|20.212212|36.858105| |2.597986|2.822350|2.510732|2.591588|3.640854|3.921933|5.202895|7.528974|6.070392|4.245695|13.876849|11.979405|11.975027|14.047947|53.358707| |2.604750|2.787086|2.413093|2.634508|3.518820|3.593389|4.406729|6.058419|5.798365|4.226723|7.590969|7.376073|7.454476|7.898196|18.774064|53.358707| |1.905986|2.010927|1.850859|1.897901|2.394109|2.538874|3.060675|3.650741|3.276179|2.654094|4.941110|6.708287|9.465248|10.845764|9.510975|8.453499|388.023441| |1.715001|1.806587|1.705344|1.693815|2.114770|2.276908|2.718424|3.079726|2.724251|2.277786|4.040667|6.162739|9.125793|7.194183|6.528243|5.519226|74.725339|36.858105| |1.522611|1.590567|1.506242|1.508277|1.824352|1.937640|2.246866|2.497308|2.276693|1.954767|3.088576|4.538983|5.964629|4.711617|4.891183|4.463885|49.400750|12.649049|36.858105| |1.414954|1.475554|1.414246|1.396872|1.674724|1.785077|2.048656|2.227433|2.030319|1.771430|2.691618|4.036893|5.114938|3.769610|4.064701|3.686651|33.889468|7.911353|13.992499|53.358707| |1.434366|1.499495|1.447491|1.410827|1.704152|1.831504|2.110564|2.274125|2.050350|1.790317|2.755541|4.246784|5.395031|3.777772|4.052975|3.590317|31.428073|7.521536|9.282093|26.057707|0.500000| |1.289949|1.338422|1.285090|1.276084|1.500374|1.585586|1.789831|1.929357|1.786576|1.582126|2.267708|3.329483|4.033487|3.009249|3.399996|3.176320|26.580954|5.160868|8.085920|18.847276|0.255551|36.858105| |1.195046|1.237406|1.197807|1.180225|1.374235|1.452208|1.622560|1.724964|1.602450|1.436793|1.990633|2.932064|3.450456|2.516570|2.914524|2.724684|20.980599|3.867676|5.118977|10.299398|0.190928|13.307328|36.858105| |1.118080|1.153645|1.115189|1.106891|1.271964|1.334528|1.476723|1.567435|1.471935|1.330158|1.783785|2.584949|2.986806|2.211324|2.617292|2.492676|18.456353|3.188507|4.125912|7.176531|0.130726|8.339488|14.133914|36.858105| |1.132113|1.166077|1.117652|1.125274|1.286549|1.340157|1.480952|1.586534|1.502932|1.355461|1.804382|2.566919|2.969189|2.264377|2.699259|2.624659|19.612742|3.229751|4.327432|6.711463|0.114424|7.456856|7.385329|11.063464|388.023441| |1.260657|1.303926|1.243700|1.252233|1.456507|1.525083|1.709741|1.853396|1.738705|1.544336|2.157639|3.089994|3.691437|2.850062|3.288942|3.162220|26.068758|4.552856|7.104173|11.043550|0.162540|14.076771|8.163162|7.773522|78.353765|36.858105| |1.341370|1.387900|1.310247|1.337273|1.559838|1.624796|1.829204|2.012461|1.898229|1.671134|2.361572|3.314487|3.994982|3.223000|3.713867|3.649070|31.826037|5.108555|8.165908|9.318982|0.140120|7.748534|5.127740|4.882721|47.433720|13.040201|36.858105| |1.300375|1.340723|1.260509|1.301202|1.497300|1.545859|1.723035|1.895233|1.812399|1.608032|2.186214|3.009600|3.538354|2.888865|3.444805|3.484769|27.881609|4.059636|5.575209|6.521738|0.106481|5.361541|4.074378|4.151900|42.571835|8.133794|15.960783|73.516695| |1.482953|1.542366|1.449164|1.476816|1.758536|1.843539|2.111823|2.359497|2.196475|1.897168|2.856961|4.030797|5.073160|4.223173|4.627440|4.460640|47.059654|7.869859|14.991402|11.115061|0.164708|6.918019|4.556120|4.007328|33.312590|7.919506|13.600634|14.906621|53.358707| |17.573353|8.692192|6.866757|5.512586|6.848630|6.802582|4.710158|3.799680|3.812406|4.706091|2.994964|3.681487|3.135191|2.276541|3.562522|3.506343|13.702169|1.750686|1.549083|1.966593|0.040852|1.313950|1.219267|1.137475|8.154559|1.278231|1.354781|2.325202|2.041442|0.500000| |17.550982|8.740351|5.486483|6.918761|6.900375|5.644092|4.261182|3.799203|4.123899|5.345923|2.986345|3.543915|3.073181|2.302681|3.684486|3.793766|14.064592|1.752884|1.559376|1.958871|0.040300|1.313361|1.211405|1.135907|8.229892|1.290722|1.382467|2.392753|2.081991|0.301853|0.500000| |17.542257|8.774369|6.910680|7.066343|5.499577|4.678827|3.532224|3.108617|3.317441|4.218868|2.518424|3.099493|2.701284|1.985278|3.086160|3.105037|12.238134|1.562735|1.401273|1.782514|0.036856|1.201691|1.119056|1.051138|7.563971|1.176375|1.247066|2.155808|1.862404|0.302195|0.301182|0.500000| |6.909192|8.775165|17.541515|7.068770|5.499748|4.679276|3.531513|3.107213|3.318809|4.222082|2.519512|3.182945|2.733580|1.960977|3.005282|2.923177|11.943617|1.555318|1.388314|1.781730|0.037147|1.197703|1.121344|1.048698|7.477382|1.162383|1.221624|2.097275|1.825638|0.170079|0.140871|0.207442|0.500000| |5.487001|8.741953|17.554426|6.916163|6.904034|5.650384|4.261857|3.796331|4.128978|5.357066|2.990393|3.767731|3.156450|2.240421|3.464196|3.296922|13.341469|1.735630|1.529825|1.957447|0.040962|1.304784|1.216523|1.130860|8.045068|1.260141|1.325764|2.263062|1.998002|0.140119|0.122463|0.140874|0.301119|0.500000| |6.868614|8.692273|17.574252|5.512520|6.846701|6.803209|4.707658|3.796117|3.813283|4.708843|2.996210|3.825398|3.186330|2.239199|3.437253|3.246379|13.284580|1.739904|1.531195|1.965330|0.041252|1.308542|1.222176|1.134249|8.044045|1.259949|1.321718|2.250934|1.992364|0.204321|0.140109|0.170205|0.302174|0.301934|0.500000| |6.941306|8.710520|5.509278|17.553653|6.726400|4.577285|3.703755|3.694058|4.587145|6.691563|2.910862|3.414027|2.983525|2.262413|3.650662|3.820478|13.932778|1.722303|1.537736|1.925480|0.039465|1.294165|1.191985|1.120726|8.153755|1.277452|1.373362|2.387028|2.065040|0.140551|0.206473|0.174206|0.142950|0.140585|0.122278|0.500000| |5.509816|8.711130|6.947270|17.555959|6.721045|4.575950|3.701509|3.689841|4.584515|6.689380|2.910331|3.488848|3.012166|2.236481|3.556123|3.585450|13.625889|1.714817|1.525383|1.924224|0.039700|1.290366|1.193594|1.118415|8.076595|1.264689|1.349378|2.331138|2.029612|0.122285|0.140573|0.142977|0.174502|0.206579|0.140608|0.300698|0.500000| |7.056155|8.833421|7.049285|17.559850|5.466419|4.072146|3.230163|3.072496|3.556879|4.800223|2.488114|3.031868|2.654804|1.968517|3.080235|3.129119|12.194355|1.547223|1.390350|1.763664|0.036359|1.190811|1.107315|1.042113|7.523818|1.169584|1.243561|2.156170|1.855630|0.143300|0.171880|0.215910|0.215753|0.171581|0.143242|0.302455|0.302483|0.500000| |6.539044|6.972507|6.545714|4.503764|8.874974|17.735772|9.028913|5.659711|4.983822|5.672312|4.157301|5.175429|4.110283|2.867706|4.521139|4.160165|16.322731|2.104600|1.810657|2.296058|0.048254|1.506968|1.391263|1.280618|9.099253|1.445901|1.528124|2.585057|2.340311|0.228159|0.154118|0.138917|0.138969|0.154405|0.228472|0.113583|0.113597|0.108853|0.500000| |3.789006|4.075460|3.790536|3.207023|5.609396|8.936298|17.741815|8.928438|5.674219|4.973313|7.165983|9.328426|6.478178|4.247948|6.707213|5.499230|21.989603|2.834422|2.325761|2.911853|0.061817|1.857793|1.688623|1.527327|10.803543|1.757695|1.865079|3.098833|2.935654|0.117024|0.101939|0.087507|0.087523|0.102051|0.117055|0.086170|0.086154|0.077789|0.218121|0.500000| |3.374242|4.056021|3.386377|3.928410|5.633237|4.982943|5.656982|8.895507|17.717010|8.970012|6.942560|6.696071|5.604779|4.542467|8.735686|8.945839|24.934160|2.834649|2.377451|2.853731|0.058310|1.846614|1.645397|1.514828|11.084922|1.810215|1.995912|3.401948|3.154909|0.088479|0.097664|0.080336|0.080558|0.098345|0.088753|0.115000|0.115316|0.089218|0.108062|0.124270|0.500000| |4.884280|6.808449|4.900920|7.603375|8.885986|5.666726|4.976285|5.660764|9.013611|17.769545|4.121996|4.563328|3.864505|2.961264|5.030499|5.209424|17.472576|2.108848|1.838229|2.270777|0.046593|1.503243|1.368532|1.274875|9.279531|1.477193|1.600797|2.759024|2.452192|0.115940|0.140128|0.114107|0.114406|0.141025|0.116217|0.230814|0.231907|0.148253|0.124004|0.107953|0.220097|0.500000| |2.633886|2.879016|2.475359|2.793037|3.626314|3.539681|4.184764|5.861223|6.381819|4.585120|6.622003|6.539932|6.400592|6.247395|13.174395|25.967040|36.875458|3.593583|2.986337|3.406930|0.067741|2.184689|1.890335|1.740959|13.050362|2.184850|2.508692|4.302373|4.093609|0.071020|0.078292|0.064310|0.061223|0.069765|0.066854|0.083389|0.078741|0.067136|0.082819|0.103298|0.228343|0.119125|0.500000| |2.844870|2.975374|2.520857|2.779926|3.774066|3.873810|4.700544|6.192625|5.878738|4.448139|6.889927|6.725980|6.482650|6.229582|13.204314|25.926533|35.920715|3.550758|2.943062|3.373842|0.067319|2.162016|1.875382|1.725527|12.894272|2.155257|2.462967|4.215056|4.011244|0.078381|0.086238|0.068473|0.062297|0.069074|0.069352|0.083306|0.075611|0.067228|0.091382|0.118743|0.171132|0.110354|0.323086|0.500000| |1.750624|1.829559|1.733731|1.694183|2.142912|2.351117|2.831911|3.124280|2.692626|2.267402|4.098771|6.501101|9.700804|6.842666|6.321027|5.230741|56.424501|17.603634|8.936074|9.703148|0.208280|4.783810|3.753148|3.071000|21.513275|4.107437|4.383361|6.336965|8.284461|0.050135|0.049564|0.044227|0.043867|0.048730|0.049600|0.047661|0.047335|0.043068|0.060937|0.084135|0.075979|0.057718|0.093091|0.096693|0.500000| |1.710460|1.824185|1.738307|1.712645|2.137945|2.296079|2.740755|3.120787|2.770130|2.310529|4.099846|6.475989|9.613679|6.834329|6.342262|5.211473|56.403637|17.600676|8.939490|9.665864|0.206644|4.776494|3.745722|3.067954|21.516261|4.108817|4.392124|6.351614|8.311561|0.048392|0.048186|0.043348|0.043941|0.049607|0.049228|0.048042|0.048579|0.043412|0.058816|0.079048|0.080427|0.059478|0.097276|0.092262|0.303860|0.500000| 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