@MOLECULE 3-aminosalicylic acid 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2991 -1.3334 -0.0028 O.2 1 UNL111111111 -0.5702 2 C -1.9395 -0.1705 0.0073 C.2 1 UNL111111111 0.6765 3 O -2.8623 0.8180 0.0281 O.3 1 UNL111111111 -0.5247 4 C -0.5647 0.3137 -0.0006 C.ar 1 UNL111111111 -0.2683 5 C -0.2733 1.6906 -0.0005 C.ar 1 UNL111111111 -0.0858 6 C 1.0404 2.1171 -0.0178 C.ar 1 UNL111111111 -0.1717 7 C 2.0974 1.1947 -0.0232 C.ar 1 UNL111111111 -0.1896 8 C 0.4825 -0.6076 -0.0125 C.ar 1 UNL111111111 0.2693 9 O 0.3048 -1.9417 -0.0492 O.3 1 UNL111111111 -0.4813 10 C 1.8430 -0.1742 -0.0099 C.ar 1 UNL111111111 0.1266 11 N 2.8697 -1.1157 0.1015 N.pl3 1 UNL111111111 -0.5939 12 H -3.7941 0.4722 0.0347 H 1 UNL111111111 0.3587 13 H -1.0938 2.4103 0.0112 H 1 UNL111111111 0.1722 14 H 1.2691 3.1817 -0.0242 H 1 UNL111111111 0.1573 15 H 3.1235 1.5569 -0.0262 H 1 UNL111111111 0.1606 16 H -0.6804 -2.1768 -0.0262 H 1 UNL111111111 0.3810 17 H 2.6178 -2.0759 -0.0570 H 1 UNL111111111 0.3006 18 H 3.7647 -0.8611 -0.2640 H 1 UNL111111111 0.2829 @BOND 1 1 2 2 2 2 4 1 3 2 3 1 4 3 12 1 5 4 5 ar 6 5 6 ar 7 5 13 1 8 6 14 1 9 7 6 ar 10 7 15 1 11 8 10 ar 12 8 4 ar 13 9 8 1 14 9 16 1 15 10 7 ar 16 11 10 1 17 11 17 1 18 11 18 1