@MOLECULE 3-amino-4-methylpyridine-2-carboxaldehyde thiosemicarbazone 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.9633 -0.5644 -0.0509 S.2 1 UNL1111111111 -0.5208 2 N 1.3080 1.3694 -0.0479 N.ar 1 UNL1111111111 -0.3007 3 N 2.4582 -2.1304 0.1623 N.pl3 1 UNL1111111111 -0.6024 4 N -1.1199 0.0782 0.0090 N.2 1 UNL1111111111 -0.1186 5 N -2.3245 -0.5562 -0.0667 N.am 1 UNL1111111111 -0.4063 6 N -3.3378 1.5639 0.1809 N.am 1 UNL1111111111 -0.5606 7 C 3.7180 -0.0587 -0.0114 C.ar 1 UNL1111111111 -0.0272 8 C 2.4786 -0.7492 0.0125 C.ar 1 UNL1111111111 0.1411 9 C 1.2816 0.0208 -0.0279 C.ar 1 UNL1111111111 0.0485 10 C 3.7111 1.3284 -0.0377 C.ar 1 UNL1111111111 -0.1884 11 C 5.0086 -0.8049 -0.0004 C.3 1 UNL1111111111 -0.4438 12 C 2.4811 2.0077 -0.0388 C.ar 1 UNL1111111111 -0.0159 13 C -0.0351 -0.6362 -0.0660 C.2 1 UNL1111111111 -0.0630 14 C -3.4775 0.2247 0.0319 C.2 1 UNL1111111111 0.5080 15 H 4.6434 1.8895 -0.0553 H 1 UNL1111111111 0.1661 16 H 5.1121 -1.4592 -0.8785 H 1 UNL1111111111 0.1564 17 H 5.8799 -0.1338 -0.0087 H 1 UNL1111111111 0.1632 18 H 5.1050 -1.4282 0.9034 H 1 UNL1111111111 0.1669 19 H 2.4350 3.1013 -0.0467 H 1 UNL1111111111 0.1762 20 H -0.0308 -1.7276 -0.1824 H 1 UNL1111111111 0.1432 21 H 1.5997 -2.6190 0.0185 H 1 UNL1111111111 0.2896 22 H 3.2795 -2.6491 -0.0793 H 1 UNL1111111111 0.2985 23 H -2.4057 -1.5723 -0.1565 H 1 UNL1111111111 0.3264 24 H -2.4225 1.9934 0.2093 H 1 UNL1111111111 0.3348 25 H -4.1419 2.1619 0.2362 H 1 UNL1111111111 0.3289 @BOND 1 1 14 2 2 2 9 ar 3 2 12 ar 4 3 8 1 5 3 21 1 6 3 22 1 7 4 5 1 8 4 13 2 9 5 14 1 10 5 23 1 11 6 14 1 12 6 24 1 13 6 25 1 14 7 8 ar 15 7 10 ar 16 7 11 1 17 8 9 ar 18 9 13 1 19 10 12 ar 20 10 15 1 21 11 16 1 22 11 17 1 23 11 18 1 24 12 19 1 25 13 20 1