@MOLECULE 4-bromocatechol 14 14 0 0 0 SMALL GASTEIGER @ATOM 1 BR -2.2640 -0.0790 0.0009 Br 1 UNL11111111111 -0.0534 2 O 2.7097 -1.8076 -0.0074 O.3 1 UNL11111111111 -0.4825 3 O 3.6917 0.7334 0.0055 O.3 1 UNL11111111111 -0.4387 4 C 1.8026 -0.7925 -0.0009 C.ar 1 UNL11111111111 0.1495 5 C 2.3571 0.5051 -0.0000 C.ar 1 UNL11111111111 0.2065 6 C 0.4272 -0.9820 -0.0016 C.ar 1 UNL11111111111 -0.2399 7 C 1.5241 1.6206 -0.0026 C.ar 1 UNL11111111111 -0.1889 8 C -0.3809 0.1537 -0.0015 C.ar 1 UNL11111111111 -0.0239 9 C 0.1390 1.4400 -0.0030 C.ar 1 UNL11111111111 -0.1471 10 H 0.0045 -1.9842 -0.0031 H 1 UNL11111111111 0.1769 11 H 1.9619 2.6185 -0.0028 H 1 UNL11111111111 0.1830 12 H -0.5121 2.3153 -0.0039 H 1 UNL11111111111 0.1739 13 H 2.2736 -2.6916 0.0681 H 1 UNL11111111111 0.3418 14 H 4.1997 -0.1229 0.0178 H 1 UNL11111111111 0.3429 @BOND 1 1 8 1 2 2 4 1 3 2 13 1 4 3 5 1 5 3 14 1 6 4 5 ar 7 4 6 ar 8 5 7 ar 9 6 8 ar 10 6 10 1 11 7 9 ar 12 7 11 1 13 8 9 ar 14 9 12 1