@MOLECULE 1,2,3,6,7-pentachlorooxanthrene 22 24 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.7882 -1.1447 0.0042 O.3 1 UNL111111111 -0.1848 2 C 0.5137 -0.7034 0.0026 C.ar 1 UNL111111111 0.1299 3 C 0.8589 0.6551 0.0023 C.ar 1 UNL111111111 0.0774 4 O -0.0685 1.6691 0.0036 O.3 1 UNL111111111 -0.1856 5 C -1.3721 1.2265 0.0019 C.ar 1 UNL111111111 0.1110 6 C -1.7175 -0.1294 0.0022 C.ar 1 UNL111111111 0.0866 7 C 2.1983 1.0298 0.0008 C.ar 1 UNL111111111 -0.0441 8 C 3.1841 0.0435 -0.0004 C.ar 1 UNL111111111 -0.0554 9 C 2.8215 -1.2987 -0.0001 C.ar 1 UNL111111111 0.0020 10 C 1.4866 -1.6972 0.0012 C.ar 1 UNL111111111 -0.1832 11 C -3.0582 -0.5008 0.0006 C.ar 1 UNL111111111 -0.0575 12 C -4.0278 0.4990 -0.0013 C.ar 1 UNL111111111 -0.0173 13 C -3.6875 1.8474 -0.0018 C.ar 1 UNL111111111 -0.1400 14 C -2.3440 2.2230 -0.0002 C.ar 1 UNL111111111 -0.1558 15 CL -5.6743 0.0780 -0.0033 Cl 1 UNL111111111 -0.0220 16 CL -3.4647 -2.1407 0.0010 Cl 1 UNL111111111 0.0197 17 CL 4.0105 -2.5099 -0.0016 Cl 1 UNL111111111 -0.0066 18 CL 4.8168 0.4919 -0.0024 Cl 1 UNL111111111 0.0165 19 CL 2.5923 2.6723 0.0003 Cl 1 UNL111111111 0.0275 20 H 1.1956 -2.7518 0.0007 H 1 UNL111111111 0.2069 21 H -4.4639 2.6170 -0.0033 H 1 UNL111111111 0.1846 22 H -2.0508 3.2744 -0.0004 H 1 UNL111111111 0.1902 @BOND 1 17 9 1 2 20 10 1 3 9 10 ar 4 9 8 ar 5 10 2 ar 6 18 8 1 7 8 7 ar 8 16 11 1 9 1 2 1 10 1 6 1 11 2 3 ar 12 7 3 ar 13 7 19 1 14 3 4 1 15 6 11 ar 16 6 5 ar 17 11 12 ar 18 5 4 1 19 5 14 ar 20 12 15 1 21 12 13 ar 22 14 13 ar 23 14 22 1 24 13 21 1