@MOLECULE 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]-4,6-pyrimidinediamine 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 F 7.5025 -2.7276 0.7594 F 1 UNL1111111111 -0.1988 2 C 7.0389 -2.5080 -0.4975 C.3 1 UNL1111111111 -0.0737 3 C 5.6004 -1.9869 -0.4129 C.3 1 UNL1111111111 -0.0943 4 O 5.7920 -0.5821 -0.2308 O.3 1 UNL1111111111 -0.2925 5 C 4.6696 0.1780 -0.1260 C.ar 1 UNL1111111111 0.1486 6 C 3.3666 -0.2860 -0.1376 C.ar 1 UNL1111111111 -0.2308 7 C 4.9316 1.5725 0.0064 C.ar 1 UNL1111111111 0.1740 8 O 6.2531 1.8836 -0.0003 O.3 1 UNL1111111111 -0.2707 9 C 6.5843 3.2582 0.1541 C.3 1 UNL1111111111 -0.2151 10 C 3.8782 2.4666 0.1176 C.ar 1 UNL1111111111 -0.2570 11 C 2.5614 1.9929 0.0992 C.ar 1 UNL1111111111 -0.0972 12 C 2.3077 0.6318 -0.0186 C.ar 1 UNL1111111111 -0.0406 13 C 0.9369 0.1543 -0.0310 C.ar 1 UNL1111111111 0.0919 14 N -0.0079 0.5618 -0.8376 N.ar 1 UNL1111111111 -0.3639 15 S 0.3630 -1.0863 1.1283 S.2 1 UNL1111111111 0.1082 16 C -1.2345 -1.0078 0.4046 C.ar 1 UNL1111111111 -0.1245 17 C -2.3490 -1.8282 0.8899 C.3 1 UNL1111111111 -0.4364 18 C -1.2345 -0.0796 -0.6071 C.ar 1 UNL1111111111 0.0807 19 C -2.3589 0.3093 -1.4825 C.3 1 UNL1111111111 -0.3239 20 S -3.4287 1.5006 -0.5856 S.3 1 UNL1111111111 0.1688 21 C -4.9207 0.5897 -0.2673 C.ar 1 UNL1111111111 0.3475 22 N -5.8299 1.2437 0.4781 N.ar 1 UNL1111111111 -0.5791 23 N -5.0571 -0.6533 -0.7778 N.ar 1 UNL1111111111 -0.6334 24 C -6.2322 -1.3095 -0.5052 C.ar 1 UNL1111111111 0.5026 25 N -6.3210 -2.5835 -1.0019 N.pl3 1 UNL1111111111 -0.5984 26 C -7.2594 -0.7199 0.2581 C.ar 1 UNL1111111111 -0.5806 27 C -7.0079 0.5831 0.7367 C.ar 1 UNL1111111111 0.4968 28 N -7.9132 1.2799 1.4873 N.pl3 1 UNL1111111111 -0.5923 29 H 7.7013 -1.7547 -0.9938 H 1 UNL1111111111 0.1578 30 H 7.0895 -3.4611 -1.0713 H 1 UNL1111111111 0.1382 31 H 5.0455 -2.1669 -1.3508 H 1 UNL1111111111 0.1387 32 H 5.0405 -2.4039 0.4448 H 1 UNL1111111111 0.1521 33 H 3.1480 -1.3446 -0.2502 H 1 UNL1111111111 0.1705 34 H 7.6827 3.2299 0.1227 H 1 UNL1111111111 0.1553 35 H 6.1940 3.8531 -0.6772 H 1 UNL1111111111 0.1353 36 H 6.2408 3.6398 1.1205 H 1 UNL1111111111 0.1370 37 H 4.0547 3.5342 0.2138 H 1 UNL1111111111 0.1668 38 H 1.7312 2.6977 0.1701 H 1 UNL1111111111 0.1699 39 H -2.0542 -2.8427 1.1960 H 1 UNL1111111111 0.1605 40 H -2.8514 -1.3600 1.7562 H 1 UNL1111111111 0.1734 41 H -3.1354 -1.9517 0.1194 H 1 UNL1111111111 0.1850 42 H -1.9971 0.8197 -2.4050 H 1 UNL1111111111 0.1947 43 H -2.9334 -0.5773 -1.8327 H 1 UNL1111111111 0.2005 44 H -7.1686 -3.1002 -0.9349 H 1 UNL1111111111 0.3098 45 H -5.5910 -2.9425 -1.5859 H 1 UNL1111111111 0.3199 46 H -8.1802 -1.2341 0.4668 H 1 UNL1111111111 0.1841 47 H -8.7873 0.8819 1.7440 H 1 UNL1111111111 0.3100 48 H -7.6915 2.2028 1.8098 H 1 UNL1111111111 0.3246 @BOND 1 2 1 1 2 2 29 1 3 2 30 1 4 3 2 1 5 3 31 1 6 3 32 1 7 4 3 1 8 5 4 1 9 6 5 ar 10 6 33 1 11 7 8 1 12 7 5 ar 13 9 8 1 14 9 34 1 15 9 35 1 16 9 36 1 17 10 7 ar 18 10 37 1 19 11 10 ar 20 11 12 ar 21 11 38 1 22 12 6 ar 23 13 12 1 24 13 14 ar 25 15 16 ar 26 15 13 ar 27 16 18 ar 28 17 16 1 29 17 39 1 30 17 40 1 31 17 41 1 32 18 14 ar 33 18 19 1 34 19 42 1 35 19 43 1 36 20 19 1 37 21 22 ar 38 21 20 1 39 23 21 ar 40 24 26 ar 41 24 23 ar 42 25 24 1 43 25 44 1 44 25 45 1 45 26 27 ar 46 26 46 1 47 27 28 1 48 27 22 ar 49 28 47 1 50 28 48 1