@MOLECULE 2,4-dichlorophenoxyacetic acid 19 19 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -0.8354 2.0842 -0.4595 Cl 1 UNL11111111 -0.0244 2 CL 3.9249 -0.0701 0.6143 Cl 1 UNL11111111 -0.0643 3 O -1.5277 -0.5673 -1.3570 O.3 1 UNL11111111 -0.2996 4 O -3.9793 -0.4163 1.0618 O.3 1 UNL11111111 -0.5560 5 O -1.8144 -0.1059 1.5169 O.2 1 UNL11111111 -0.4732 6 C -0.2637 -0.5051 -0.8147 C.ar 1 UNL11111111 0.1529 7 C 0.2063 0.7466 -0.4099 C.ar 1 UNL11111111 -0.0062 8 C 0.5613 -1.6282 -0.7823 C.ar 1 UNL11111111 -0.1742 9 C 1.5126 0.9027 0.0348 C.ar 1 UNL11111111 -0.1660 10 C 1.8744 -1.4880 -0.3368 C.ar 1 UNL11111111 -0.1519 11 C -2.4825 -1.2291 -0.5490 C.3 1 UNL11111111 -0.1150 12 C 2.3175 -0.2317 0.0619 C.ar 1 UNL11111111 0.0183 13 C -2.6595 -0.5160 0.7708 C.2 1 UNL11111111 0.6012 14 H 0.1838 -2.5956 -1.1084 H 1 UNL11111111 0.1727 15 H -3.3955 -1.1769 -1.1845 H 1 UNL11111111 0.1923 16 H -2.2042 -2.2879 -0.3843 H 1 UNL11111111 0.1607 17 H 1.8872 1.8763 0.3601 H 1 UNL11111111 0.1941 18 H 2.5367 -2.3544 -0.3031 H 1 UNL11111111 0.1778 19 H -4.1659 0.0479 1.9168 H 1 UNL11111111 0.3608 @BOND 1 3 6 1 2 3 11 1 3 15 11 1 4 14 8 1 5 6 8 ar 6 6 7 ar 7 8 10 ar 8 11 16 1 9 11 13 1 10 1 7 1 11 7 9 ar 12 10 18 1 13 10 12 ar 14 9 12 ar 15 9 17 1 16 12 2 1 17 13 4 1 18 13 5 2 19 4 19 1