@MOLECULE 5-(4-{[(4,6-diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenol 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 C 8.2254 -1.1446 -0.1184 C.3 1 UNL1111111111 -0.1867 2 O 7.0091 -1.8314 0.1401 O.3 1 UNL1111111111 -0.3398 3 C 5.8603 -1.1061 0.0332 C.ar 1 UNL1111111111 0.1280 4 C 4.7211 -1.7829 0.5240 C.ar 1 UNL1111111111 0.1821 5 C 3.4690 -1.1895 0.4628 C.ar 1 UNL1111111111 -0.1482 6 O 4.7799 -3.0246 1.0720 O.3 1 UNL1111111111 -0.4427 7 C 5.7302 0.1628 -0.5135 C.ar 1 UNL1111111111 -0.2351 8 C 4.4691 0.7609 -0.5730 C.ar 1 UNL1111111111 -0.1324 9 C 3.3409 0.0977 -0.0865 C.ar 1 UNL1111111111 -0.0389 10 C 2.0177 0.6947 -0.1220 C.ar 1 UNL1111111111 0.1042 11 N 0.9166 0.0734 0.2308 N.ar 1 UNL1111111111 -0.3656 12 S 1.6948 2.3840 -0.6324 S.2 1 UNL1111111111 0.1062 13 C -0.0118 2.1514 -0.3249 C.ar 1 UNL1111111111 -0.1702 14 C -1.0053 3.2257 -0.5052 C.3 1 UNL1111111111 -0.2612 15 C -1.2459 3.9584 0.8288 C.3 1 UNL1111111111 -0.2413 16 C -2.3614 4.9913 0.6864 C.3 1 UNL1111111111 -0.4405 17 C -0.2274 0.8695 0.1217 C.ar 1 UNL1111111111 0.1035 18 C -1.5125 0.2619 0.5209 C.3 1 UNL1111111111 -0.3197 19 S -2.2800 -0.4298 -1.0042 S.3 1 UNL1111111111 0.1667 20 C -3.8810 -0.9201 -0.4089 C.ar 1 UNL1111111111 0.3510 21 N -4.1713 -0.7020 0.8917 N.ar 1 UNL1111111111 -0.6208 22 N -4.6898 -1.4904 -1.3204 N.ar 1 UNL1111111111 -0.5826 23 C -5.9263 -1.8972 -0.8769 C.ar 1 UNL1111111111 0.4960 24 N -6.7226 -2.4771 -1.8256 N.pl3 1 UNL1111111111 -0.5948 25 C -6.3382 -1.7275 0.4613 C.ar 1 UNL1111111111 -0.5835 26 C -5.4093 -1.1112 1.3243 C.ar 1 UNL1111111111 0.5016 27 N -5.6772 -0.8719 2.6452 N.pl3 1 UNL1111111111 -0.5988 28 H 8.3440 -0.2903 0.5553 H 1 UNL1111111111 0.1360 29 H 8.9773 -1.9161 0.0985 H 1 UNL1111111111 0.1527 30 H 8.2814 -0.8404 -1.1686 H 1 UNL1111111111 0.1354 31 H 2.5905 -1.7253 0.8404 H 1 UNL1111111111 0.2072 32 H 5.7124 -3.3605 1.0931 H 1 UNL1111111111 0.3333 33 H 6.5929 0.6973 -0.9002 H 1 UNL1111111111 0.1626 34 H 4.3936 1.7548 -1.0124 H 1 UNL1111111111 0.1620 35 H -0.7064 3.9556 -1.2860 H 1 UNL1111111111 0.1525 36 H -1.9689 2.8055 -0.8780 H 1 UNL1111111111 0.1727 37 H -1.5045 3.2260 1.6184 H 1 UNL1111111111 0.1430 38 H -0.3134 4.4483 1.1663 H 1 UNL1111111111 0.1374 39 H -3.3057 4.5247 0.3802 H 1 UNL1111111111 0.1495 40 H -2.5450 5.5075 1.6357 H 1 UNL1111111111 0.1418 41 H -2.1124 5.7553 -0.0581 H 1 UNL1111111111 0.1415 42 H -1.3701 -0.5516 1.2692 H 1 UNL1111111111 0.2010 43 H -2.1948 0.9925 1.0034 H 1 UNL1111111111 0.1860 44 H -6.3856 -2.5842 -2.7632 H 1 UNL1111111111 0.3240 45 H -7.6280 -2.8204 -1.6015 H 1 UNL1111111111 0.3100 46 H -7.3058 -2.0481 0.8028 H 1 UNL1111111111 0.1836 47 H -6.5260 -1.1786 3.0621 H 1 UNL1111111111 0.3096 48 H -4.9771 -0.4598 3.2307 H 1 UNL1111111111 0.3220 @BOND 1 1 2 1 2 1 28 1 3 1 29 1 4 1 30 1 5 3 2 1 6 3 4 ar 7 4 6 1 8 5 4 ar 9 5 31 1 10 6 32 1 11 7 3 ar 12 7 33 1 13 8 7 ar 14 8 9 ar 15 8 34 1 16 9 5 ar 17 10 9 1 18 10 11 ar 19 12 13 ar 20 12 10 ar 21 13 17 ar 22 14 15 1 23 14 13 1 24 14 35 1 25 14 36 1 26 15 16 1 27 15 37 1 28 15 38 1 29 16 39 1 30 16 40 1 31 16 41 1 32 17 11 ar 33 17 18 1 34 18 42 1 35 18 43 1 36 19 18 1 37 20 22 ar 38 20 19 1 39 21 20 ar 40 23 24 1 41 23 22 ar 42 24 44 1 43 24 45 1 44 25 23 ar 45 25 46 1 46 26 25 ar 47 26 21 ar 48 27 26 1 49 27 47 1 50 27 48 1