RESIDUE 2XE 13 CONECT SAH 2 CAM H1 CONECT CAI 3 BR CAK CAO CONECT BR 1 CAI CONECT CAK 3 CAI CAL H2 CONECT CAL 3 CAK CAM H3 CONECT CAM 3 SAH CAL CAN CONECT CAN 3 CAM CAO H4 CONECT CAO 3 CAI CAN H5 CONECT H1 1 SAH CONECT H2 1 CAK CONECT H3 1 CAL CONECT H4 1 CAN CONECT H5 1 CAO END HET 2XE 13 HETNAM 2XE 4-bromobenzenethiol FORMUL 2XE C6 H5 Br1 S1