@MOLECULE perchloromethyl mercaptan 6 5 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 0.5011 1.0203 1.4186 Cl 1 UNL111111 -0.0400 2 CL 0.5158 1.0110 -1.4260 Cl 1 UNL111111 -0.0404 3 CL 2.0260 -0.9431 0.0109 Cl 1 UNL111111 -0.0323 4 CL -2.4416 0.0322 0.0002 Cl 1 UNL111111 -0.1058 5 S -0.8622 -1.2315 -0.0041 S.3 1 UNL111111 0.2263 6 C 0.5264 -0.0200 -0.0001 C.3 1 UNL111111 -0.0078 @BOND 1 2 6 1 2 5 6 1 3 5 4 1 4 6 3 1 5 6 1 1