@MOLECULE p-bromoacetophenone 17 17 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -2.6885 0.0137 0.0008 Br 1 UNL11111111 -0.0489 2 O 4.0223 -1.1539 -0.0170 O.2 1 UNL11111111 -0.4450 3 C 1.9748 -0.0147 -0.0017 C.ar 1 UNL11111111 -0.1651 4 C 1.2845 1.1978 -0.0112 C.ar 1 UNL11111111 -0.0940 5 C 1.2679 -1.2208 0.0078 C.ar 1 UNL11111111 -0.0666 6 C 3.4617 -0.0839 -0.0013 C.2 1 UNL11111111 0.4899 7 C -0.1094 1.2112 -0.0113 C.ar 1 UNL11111111 -0.1824 8 C -0.1262 -1.2210 0.0088 C.ar 1 UNL11111111 -0.1820 9 C -0.7903 -0.0006 -0.0004 C.ar 1 UNL11111111 0.0159 10 C 4.2449 1.1944 0.0208 C.3 1 UNL11111111 -0.5445 11 H 1.8252 2.1446 -0.0194 H 1 UNL11111111 0.1586 12 H 1.8177 -2.1678 0.0142 H 1 UNL11111111 0.1818 13 H -0.6419 2.1623 -0.0185 H 1 UNL11111111 0.1717 14 H -0.6687 -2.1670 0.0164 H 1 UNL11111111 0.1758 15 H 4.0439 1.8092 -0.8665 H 1 UNL11111111 0.1752 16 H 5.3282 0.9903 0.0339 H 1 UNL11111111 0.1846 17 H 4.0189 1.7944 0.9122 H 1 UNL11111111 0.1750 @BOND 1 14 8 1 2 12 5 1 3 8 5 ar 4 8 9 ar 5 5 3 ar 6 1 9 1 7 2 6 2 8 9 7 ar 9 3 6 1 10 3 4 ar 11 6 10 1 12 7 4 ar 13 7 13 1 14 4 11 1 15 16 10 1 16 10 15 1 17 10 17 1