@MOLECULE 2,3,6-trichlorophenol acetate 18 18 0 0 0 SMALL USER_CHARGES @ATOM 1 C1 -0.4285 -0.0957 0.2849 C.ar 1 UNCH1111111111 0.2037 2 C2 0.8851 0.3629 0.1773 C.ar 1 UNCH1111111111 -0.0773 3 CL2 1.1824 2.0208 0.3193 Cl 1 UNCH1111111111 0.0099 4 C3 1.9003 -0.5570 -0.0519 C.ar 1 UNCH1111111111 0.0039 5 CL3 3.5114 -0.0323 -0.1766 Cl 1 UNCH1111111111 -0.0204 6 C4 1.6291 -1.9161 -0.1878 C.ar 1 UNCH1111111111 -0.1575 7 H4 2.4387 -2.6276 -0.3681 H 1 UNCH1111111111 0.1847 8 C5 0.3132 -2.3694 -0.0972 C.ar 1 UNCH1111111111 -0.1227 9 H5 0.0909 -3.4336 -0.2088 H 1 UNCH1111111111 0.1840 10 C6 -0.7069 -1.4535 0.1334 C.ar 1 UNCH1111111111 -0.0497 11 CL6 -2.3183 -1.9730 0.2255 Cl 1 UNCH1111111111 -0.0215 12 O1 -1.4162 0.7836 0.6320 O.3 1 UNCH1111111111 -0.3960 13 C7 -2.1945 1.2975 -0.3965 C.2 1 UNCH1111111111 0.6271 14 O7 -2.0081 0.9867 -1.5349 O.2 1 UNCH1111111111 -0.4436 15 C8 -3.1894 2.2162 0.2080 C.3 1 UNCH1111111111 -0.5035 16 H81 -2.7094 2.9705 0.8554 H 1 UNCH1111111111 0.1950 17 H82 -3.7592 2.7473 -0.5721 H 1 UNCH1111111111 0.1901 18 H83 -3.9087 1.6684 0.8411 H 1 UNCH1111111111 0.1938 @BOND 1 1 2 ar 2 1 10 ar 3 1 12 1 4 2 3 1 5 2 4 ar 6 4 5 1 7 4 6 ar 8 6 7 1 9 6 8 ar 10 8 9 1 11 8 10 ar 12 10 11 1 13 12 13 1 14 13 14 2 15 13 15 1 16 15 16 1 17 15 17 1 18 15 18 1