@MOLECULE 2,3,7-trichlorooxanthrene 22 24 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.7164 -1.2065 -0.0020 O.3 1 UNL111111111 -0.2164 2 C 0.5025 -0.5693 -0.0010 C.ar 1 UNL111111111 0.1131 3 C 0.6354 0.8270 -0.0006 C.ar 1 UNL111111111 0.1177 4 O -0.4393 1.6831 -0.0011 O.3 1 UNL111111111 -0.2171 5 C -1.6614 1.0450 -0.0008 C.ar 1 UNL111111111 0.0935 6 C -1.7930 -0.3488 -0.0011 C.ar 1 UNL111111111 0.1261 7 C 1.8902 1.4263 0.0002 C.ar 1 UNL111111111 -0.1815 8 C 3.0063 0.5919 0.0003 C.ar 1 UNL111111111 -0.0138 9 C 2.8740 -0.7901 0.0001 C.ar 1 UNL111111111 -0.0182 10 C 1.6192 -1.3969 -0.0006 C.ar 1 UNL111111111 -0.1754 11 C -3.0477 -0.9481 -0.0005 C.ar 1 UNL111111111 -0.1975 12 C -4.1502 -0.0988 0.0003 C.ar 1 UNL111111111 0.0254 13 C -4.0455 1.2871 0.0002 C.ar 1 UNL111111111 -0.1655 14 C -2.7787 1.8733 -0.0003 C.ar 1 UNL111111111 -0.1480 15 CL -5.7054 -0.8018 0.0014 Cl 1 UNL111111111 -0.0624 16 CL 4.2445 -1.7941 0.0004 Cl 1 UNL111111111 -0.0201 17 CL 4.5429 1.3171 0.0009 Cl 1 UNL111111111 -0.0206 18 H 1.9814 2.5147 0.0005 H 1 UNL111111111 0.1996 19 H 1.5014 -2.4831 -0.0009 H 1 UNL111111111 0.2003 20 H -3.1455 -2.0346 -0.0005 H 1 UNL111111111 0.1970 21 H -4.9358 1.9184 0.0006 H 1 UNL111111111 0.1808 22 H -2.6583 2.9569 -0.0003 H 1 UNL111111111 0.1832 @BOND 1 16 9 1 2 19 10 1 3 9 10 ar 4 9 8 ar 5 10 2 ar 6 17 8 1 7 8 7 ar 8 1 2 1 9 1 6 1 10 2 3 ar 11 20 11 1 12 7 3 ar 13 7 18 1 14 3 4 1 15 6 11 ar 16 6 5 ar 17 11 12 ar 18 4 5 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