@MOLECULE 1-[5-(4-{[(2,6-diamino-4-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methyl-2-propanol 61 63 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.6480 3.8180 0.7699 C.3 1 UNL111111111 -0.5031 2 C 4.8268 3.4776 -0.4729 C.3 1 UNL111111111 0.3393 3 C 4.1643 4.7047 -1.0951 C.3 1 UNL111111111 -0.4796 4 O 5.6877 2.9770 -1.4784 O.3 1 UNL111111111 -0.5717 5 C 3.7667 2.3908 -0.1625 C.3 1 UNL111111111 -0.1243 6 O 4.5532 1.3367 0.4013 O.3 1 UNL111111111 -0.3238 7 C 4.0557 0.0790 0.2629 C.ar 1 UNL111111111 0.1339 8 C 2.7125 -0.2415 0.2070 C.ar 1 UNL111111111 -0.1776 9 C 5.0380 -0.9473 0.2487 C.ar 1 UNL111111111 0.1820 10 O 6.3135 -0.4849 0.2813 O.3 1 UNL111111111 -0.2818 11 C 7.3448 -1.4595 0.3763 C.3 1 UNL111111111 -0.2115 12 C 4.6429 -2.2764 0.1883 C.ar 1 UNL111111111 -0.2607 13 C 3.2829 -2.5959 0.1250 C.ar 1 UNL111111111 -0.1128 14 C 2.3184 -1.5915 0.1352 C.ar 1 UNL111111111 -0.0501 15 C 0.8980 -1.8777 0.0692 C.ar 1 UNL111111111 0.1051 16 N -0.0191 -0.9971 -0.2599 N.ar 1 UNL111111111 -0.3739 17 S 0.1853 -3.4738 0.4627 S.2 1 UNL111111111 0.1187 18 C -1.4113 -2.8395 0.1393 C.ar 1 UNL111111111 -0.1744 19 C -2.6315 -3.6614 0.2304 C.3 1 UNL111111111 -0.2620 20 C -3.0306 -4.1840 -1.1633 C.3 1 UNL111111111 -0.2411 21 C -4.3974 -4.8620 -1.1084 C.3 1 UNL111111111 -0.4406 22 C -1.3166 -1.5157 -0.2188 C.ar 1 UNL111111111 0.0974 23 C -2.4234 -0.6006 -0.5606 C.3 1 UNL111111111 -0.3047 24 S -3.0033 0.1189 1.0322 S.3 1 UNL111111111 0.1006 25 C -4.3532 1.1536 0.5500 C.ar 1 UNL111111111 0.2588 26 C -5.0477 1.8897 1.5084 C.ar 1 UNL111111111 -0.5190 27 N -4.6447 1.1857 -0.7637 N.ar 1 UNL111111111 -0.6047 28 C -5.6824 2.0075 -1.1424 C.ar 1 UNL111111111 0.5800 29 N -5.9929 2.0492 -2.4727 N.pl3 1 UNL111111111 -0.5844 30 N -6.4282 2.7811 -0.2968 N.ar 1 UNL111111111 -0.6398 31 C -6.1007 2.7098 1.0281 C.ar 1 UNL111111111 0.4983 32 N -6.8576 3.4877 1.8621 N.pl3 1 UNL111111111 -0.5983 33 H 5.0301 4.2449 1.5646 H 1 UNL111111111 0.1529 34 H 6.1393 2.9243 1.1790 H 1 UNL111111111 0.1661 35 H 6.4395 4.5364 0.5262 H 1 UNL111111111 0.1588 36 H 4.9281 5.4228 -1.4237 H 1 UNL111111111 0.1652 37 H 3.5883 4.4362 -1.9895 H 1 UNL111111111 0.1611 38 H 3.5025 5.2120 -0.3887 H 1 UNL111111111 0.1498 39 H 6.0506 2.1071 -1.2039 H 1 UNL111111111 0.3326 40 H 3.0339 2.7150 0.5918 H 1 UNL111111111 0.1412 41 H 3.2552 2.0632 -1.0832 H 1 UNL111111111 0.1503 42 H 1.9450 0.5374 0.2186 H 1 UNL111111111 0.1940 43 H 7.2485 -2.0456 1.2951 H 1 UNL111111111 0.1361 44 H 7.3632 -2.1005 -0.5101 H 1 UNL111111111 0.1359 45 H 8.2464 -0.8319 0.4149 H 1 UNL111111111 0.1562 46 H 5.3759 -3.0777 0.1796 H 1 UNL111111111 0.1648 47 H 3.0028 -3.6466 0.0573 H 1 UNL111111111 0.1604 48 H -2.5208 -4.5146 0.9315 H 1 UNL111111111 0.1532 49 H -3.4703 -3.0627 0.6571 H 1 UNL111111111 0.1710 50 H -3.0495 -3.3482 -1.8896 H 1 UNL111111111 0.1428 51 H -2.2658 -4.8900 -1.5374 H 1 UNL111111111 0.1387 52 H -4.4003 -5.7093 -0.4140 H 1 UNL111111111 0.1420 53 H -5.1790 -4.1645 -0.7832 H 1 UNL111111111 0.1490 54 H -4.6904 -5.2439 -2.0929 H 1 UNL111111111 0.1427 55 H -2.0948 0.2152 -1.2448 H 1 UNL111111111 0.2014 56 H -3.2592 -1.1111 -1.0819 H 1 UNL111111111 0.1850 57 H -4.8071 1.8527 2.5601 H 1 UNL111111111 0.1914 58 H -6.7211 2.6498 -2.7998 H 1 UNL111111111 0.3235 59 H -5.4564 1.5190 -3.1284 H 1 UNL111111111 0.3253 60 H -7.5901 4.0590 1.4898 H 1 UNL111111111 0.3213 61 H -6.6911 3.5036 2.8429 H 1 UNL111111111 0.3130 @BOND 1 1 33 1 2 1 34 1 3 1 35 1 4 2 1 1 5 3 2 1 6 3 36 1 7 3 37 1 8 3 38 1 9 4 2 1 10 4 39 1 11 5 2 1 12 5 40 1 13 5 41 1 14 6 5 1 15 7 6 1 16 8 7 ar 17 8 42 1 18 9 10 1 19 9 7 ar 20 11 10 1 21 11 43 1 22 11 44 1 23 11 45 1 24 12 9 ar 25 12 46 1 26 13 12 ar 27 13 14 ar 28 13 47 1 29 14 8 ar 30 15 14 1 31 15 16 ar 32 17 18 ar 33 17 15 ar 34 18 22 ar 35 19 20 1 36 19 18 1 37 19 48 1 38 19 49 1 39 20 50 1 40 20 51 1 41 21 20 1 42 21 52 1 43 21 53 1 44 21 54 1 45 22 16 ar 46 22 23 1 47 23 55 1 48 23 56 1 49 24 23 1 50 25 26 ar 51 25 24 1 52 26 57 1 53 27 25 ar 54 28 30 ar 55 28 27 ar 56 29 28 1 57 29 58 1 58 29 59 1 59 30 31 ar 60 31 32 1 61 31 26 ar 62 32 60 1 63 32 61 1