@MOLECULE 2,4,6-tribromophenol 13 13 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -1.7219 -2.7116 0.0000 Br 1 UNL11111111 0.0157 2 BR -1.2594 2.9579 0.0000 Br 1 UNL11111111 -0.0083 3 BR 3.3873 -0.2582 0.0000 Br 1 UNL11111111 -0.0231 4 O -2.6045 0.0688 0.0001 O.3 1 UNL11111111 -0.4165 5 C -1.2591 0.0945 0.0000 C.ar 1 UNL11111111 0.2749 6 C -0.6436 -1.1681 -0.0001 C.ar 1 UNL11111111 -0.1198 7 C -0.4669 1.2455 -0.0001 C.ar 1 UNL11111111 -0.1805 8 C 0.7377 -1.2817 -0.0002 C.ar 1 UNL11111111 -0.0881 9 C 0.9214 1.1481 -0.0002 C.ar 1 UNL11111111 -0.0811 10 C 1.5010 -0.1146 -0.0001 C.ar 1 UNL11111111 -0.0874 11 H 1.2178 -2.2658 -0.0002 H 1 UNL11111111 0.1890 12 H 1.5421 2.0501 -0.0003 H 1 UNL11111111 0.1874 13 H -3.0231 0.9708 -0.0017 H 1 UNL11111111 0.3378 @BOND 1 13 4 1 2 12 9 1 3 11 8 1 4 9 7 ar 5 9 10 ar 6 8 6 ar 7 8 10 ar 8 6 5 ar 9 6 1 1 10 7 5 ar 11 7 2 1 12 10 3 1 13 5 4 1