@MOLECULE 1,2,8-trichlorooxanthrene 22 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.5678 -0.8879 -0.0002 C.ar 1 UNL111111111 -0.1909 2 C 3.8001 -0.2413 0.0000 C.ar 1 UNL111111111 0.0253 3 C 3.9349 1.1419 0.0003 C.ar 1 UNL111111111 -0.1651 4 C 2.7888 1.9393 0.0002 C.ar 1 UNL111111111 -0.1478 5 C 1.5454 1.3155 -0.0000 C.ar 1 UNL111111111 0.0942 6 O 0.4505 2.1523 -0.0002 O.3 1 UNL111111111 -0.2205 7 C -0.7557 1.4937 -0.0001 C.ar 1 UNL111111111 0.1189 8 C -1.8888 2.3019 -0.0001 C.ar 1 UNL111111111 -0.1645 9 C -3.1463 1.6974 0.0000 C.ar 1 UNL111111111 -0.1411 10 C -3.2447 0.3107 0.0000 C.ar 1 UNL111111111 -0.0181 11 C -2.1147 -0.5028 -0.0000 C.ar 1 UNL111111111 -0.0588 12 C -0.8592 0.0967 -0.0001 C.ar 1 UNL111111111 0.0870 13 O 0.2293 -0.7426 -0.0003 O.3 1 UNL111111111 -0.1958 14 C 1.4362 -0.0798 -0.0002 C.ar 1 UNL111111111 0.1193 15 CL 5.2115 -1.2012 0.0001 Cl 1 UNL111111111 -0.0630 16 CL -4.7927 -0.3926 0.0001 Cl 1 UNL111111111 -0.0266 17 CL -2.2280 -2.1889 0.0000 Cl 1 UNL111111111 0.0179 18 H 2.4743 -1.9753 -0.0005 H 1 UNL111111111 0.1991 19 H 4.9201 1.6099 0.0005 H 1 UNL111111111 0.1796 20 H 2.8578 3.0270 0.0003 H 1 UNL111111111 0.1816 21 H -1.7853 3.3875 -0.0001 H 1 UNL111111111 0.1864 22 H -4.0447 2.3193 0.0001 H 1 UNL111111111 0.1829 @BOND 1 15 2 1 2 18 1 1 3 1 2 ar 4 1 14 ar 5 2 3 ar 6 17 11 1 7 19 3 1 8 3 4 ar 9 13 14 1 10 13 12 1 11 14 5 ar 12 4 5 ar 13 4 20 1 14 5 6 1 15 12 11 ar 16 12 7 ar 17 11 10 ar 18 7 6 1 19 7 8 ar 20 10 16 1 21 10 9 ar 22 8 9 ar 23 8 21 1 24 9 22 1