@MOLECULE 2-amino-3-hydroxy-4-methylbenzoic acid 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1989 -1.7039 -0.0414 O.3 1 UNL1111111111 -0.4875 2 O 2.9654 1.2701 -0.0211 O.3 1 UNL1111111111 -0.5503 3 O 2.8903 -0.9469 -0.0093 O.2 1 UNL1111111111 -0.5798 4 N 0.4220 -2.1068 0.0400 N.pl3 1 UNL1111111111 -0.5672 5 C -1.9589 0.7129 0.0033 C.ar 1 UNL1111111111 0.0327 6 C -0.0301 -0.8229 0.0118 C.ar 1 UNL1111111111 0.3024 7 C -1.4411 -0.5641 -0.0013 C.ar 1 UNL1111111111 0.0617 8 C 0.8348 0.2940 0.0086 C.ar 1 UNL1111111111 -0.3297 9 C -1.0655 1.8072 0.0162 C.ar 1 UNL1111111111 -0.2670 10 C 0.2948 1.5960 0.0150 C.ar 1 UNL1111111111 -0.0124 11 C -3.4303 0.9425 -0.0072 C.3 1 UNL1111111111 -0.4557 12 C 2.2724 0.0989 -0.0055 C.2 1 UNL1111111111 0.6891 13 H -1.4650 2.8170 0.0237 H 1 UNL1111111111 0.1608 14 H 0.9815 2.4487 0.0185 H 1 UNL1111111111 0.1706 15 H -3.9074 0.4837 -0.8868 H 1 UNL1111111111 0.1606 16 H -3.9122 0.5388 0.8958 H 1 UNL1111111111 0.1583 17 H -3.6846 2.0129 -0.0413 H 1 UNL1111111111 0.1668 18 H 1.4134 -2.2908 0.0212 H 1 UNL1111111111 0.3406 19 H -0.2175 -2.8731 0.0100 H 1 UNL1111111111 0.3199 20 H -3.1558 -1.5060 0.0875 H 1 UNL1111111111 0.3316 21 H 3.9453 1.1304 -0.0316 H 1 UNL1111111111 0.3544 @BOND 1 1 7 1 2 1 20 1 3 2 12 1 4 2 21 1 5 3 12 2 6 4 6 1 7 4 18 1 8 4 19 1 9 5 7 ar 10 5 9 ar 11 5 11 1 12 6 7 ar 13 6 8 ar 14 8 10 ar 15 8 12 1 16 9 10 ar 17 9 13 1 18 10 14 1 19 11 15 1 20 11 16 1 21 11 17 1