@MOLECULE 3,5-dichlorosalicylic acid 16 16 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 0.8411 -2.9973 0.0002 Cl 1 UNL11111111 -0.0032 2 CL 2.7315 1.9853 -0.0014 Cl 1 UNL11111111 -0.0526 3 O -1.7171 -1.7410 0.0006 O.3 1 UNL11111111 -0.4193 4 O -2.4240 2.3992 0.0044 O.3 1 UNL11111111 -0.5212 5 O -3.3501 0.3726 -0.0053 O.2 1 UNL11111111 -0.5556 6 C -0.9687 0.5579 0.0007 C.ar 1 UNL11111111 -0.3087 7 C -0.7408 -0.8311 0.0010 C.ar 1 UNL11111111 0.3485 8 C 0.1233 1.4384 0.0004 C.ar 1 UNL11111111 -0.0175 9 C 0.5819 -1.3231 0.0012 C.ar 1 UNL11111111 -0.1238 10 C 1.4031 0.9172 0.0003 C.ar 1 UNL11111111 -0.0862 11 C 1.6582 -0.4590 0.0010 C.ar 1 UNL11111111 -0.0670 12 C -2.3413 1.0520 -0.0002 C.2 1 UNL11111111 0.6776 13 H -0.0525 2.5215 -0.0000 H 1 UNL11111111 0.1947 14 H 2.6868 -0.8362 0.0010 H 1 UNL11111111 0.1899 15 H -2.6348 -1.2967 -0.0083 H 1 UNL11111111 0.3792 16 H -3.3638 2.7288 0.0041 H 1 UNL11111111 0.3651 @BOND 1 15 3 1 2 5 12 2 3 2 10 1 4 12 6 1 5 12 4 1 6 13 8 1 7 1 9 1 8 10 8 ar 9 10 11 ar 10 8 6 ar 11 3 7 1 12 6 7 ar 13 11 14 1 14 11 9 ar 15 7 9 ar 16 16 4 1