@MOLECULE 2-(benzothiazol-6-ylamino)-4-(indan-5-ylamino)pyrimidine 43 47 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.6685 -3.0312 -0.8557 S.2 1 UNL1111111111 0.1318 2 N 1.5723 2.7597 0.0941 N.pl3 1 UNL1111111111 -0.4812 3 N -0.7096 2.1185 -0.0016 N.ar 1 UNL1111111111 -0.5888 4 N -3.0547 1.6392 -0.0838 N.pl3 1 UNL1111111111 -0.4674 5 N -2.4138 3.8412 -0.2372 N.ar 1 UNL1111111111 -0.5623 6 N -2.8502 -3.9172 0.2914 N.ar 1 UNL1111111111 -0.3327 7 C 5.3470 -1.9295 -0.3984 C.3 1 UNL1111111111 -0.2582 8 C 5.3968 -0.3830 -0.5252 C.3 1 UNL1111111111 -0.2852 9 C 4.2042 -2.2348 0.6041 C.3 1 UNL1111111111 -0.2732 10 C 4.0440 0.0609 -0.0565 C.ar 1 UNL1111111111 0.0356 11 C 3.3718 -0.9897 0.5967 C.ar 1 UNL1111111111 -0.0426 12 C 3.4434 1.2903 -0.2343 C.ar 1 UNL1111111111 -0.2653 13 C 2.0936 -0.8094 1.0903 C.ar 1 UNL1111111111 -0.1181 14 C 2.1275 1.4627 0.2573 C.ar 1 UNL1111111111 0.2049 15 C 1.4632 0.4284 0.9167 C.ar 1 UNL1111111111 -0.1928 16 C 0.2423 3.0958 -0.0180 C.ar 1 UNL1111111111 0.4878 17 C -2.9603 0.2370 -0.0004 C.ar 1 UNL1111111111 0.2274 18 C -0.1032 4.4674 -0.1584 C.ar 1 UNL1111111111 -0.5078 19 C -2.0026 2.5319 -0.1107 C.ar 1 UNL1111111111 0.5585 20 C -1.8765 -1.8496 -0.3753 C.ar 1 UNL1111111111 -0.1091 21 C -1.8609 -0.4723 -0.4957 C.ar 1 UNL1111111111 -0.1896 22 C -2.9768 -2.5197 0.2157 C.ar 1 UNL1111111111 0.0372 23 C -4.0740 -0.4298 0.5704 C.ar 1 UNL1111111111 -0.2377 24 C -4.0843 -1.8080 0.6854 C.ar 1 UNL1111111111 -0.0767 25 C -1.4553 4.7798 -0.2611 C.ar 1 UNL1111111111 0.2061 26 C -1.7289 -4.3351 -0.2084 C.ar 1 UNL1111111111 -0.0385 27 H 6.3078 -2.3438 -0.0677 H 1 UNL1111111111 0.1343 28 H 5.1242 -2.3815 -1.3795 H 1 UNL1111111111 0.1392 29 H 5.6236 -0.0588 -1.5515 H 1 UNL1111111111 0.1492 30 H 6.1921 0.0399 0.1175 H 1 UNL1111111111 0.1530 31 H 4.6044 -2.4401 1.6133 H 1 UNL1111111111 0.1479 32 H 3.6291 -3.1283 0.3089 H 1 UNL1111111111 0.1506 33 H 3.9534 2.0901 -0.7598 H 1 UNL1111111111 0.1581 34 H 1.5687 -1.6152 1.6001 H 1 UNL1111111111 0.1597 35 H 0.4450 0.5675 1.2889 H 1 UNL1111111111 0.1939 36 H 2.2428 3.5123 -0.0446 H 1 UNL1111111111 0.3189 37 H 0.6481 5.2415 -0.1773 H 1 UNL1111111111 0.1818 38 H -1.0092 0.0503 -0.9420 H 1 UNL1111111111 0.2103 39 H -3.9898 2.0542 -0.0732 H 1 UNL1111111111 0.3404 40 H -4.9215 0.1473 0.9326 H 1 UNL1111111111 0.1676 41 H -4.9240 -2.3460 1.1299 H 1 UNL1111111111 0.1739 42 H -1.8081 5.8156 -0.3653 H 1 UNL1111111111 0.1729 43 H -1.4271 -5.3724 -0.2417 H 1 UNL1111111111 0.1859 @BOND 1 1 20 ar 2 1 26 ar 3 2 14 1 4 2 16 1 5 2 36 1 6 3 16 ar 7 3 19 ar 8 4 17 1 9 4 19 1 10 4 39 1 11 5 19 ar 12 5 25 ar 13 6 22 ar 14 6 26 ar 15 7 8 1 16 7 9 1 17 7 27 1 18 7 28 1 19 8 10 1 20 8 29 1 21 8 30 1 22 9 11 1 23 9 31 1 24 9 32 1 25 10 11 ar 26 10 12 ar 27 11 13 ar 28 12 14 ar 29 12 33 1 30 13 15 ar 31 13 34 1 32 14 15 ar 33 15 35 1 34 16 18 ar 35 17 21 ar 36 17 23 ar 37 18 25 ar 38 18 37 1 39 20 21 ar 40 20 22 ar 41 21 38 1 42 22 24 ar 43 23 24 ar 44 23 40 1 45 24 41 1 46 25 42 1 47 26 43 1