@MOLECULE titanium tetrachloride 5 4 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -2.1799 -0.0000 0.0875 Cl 1 UNL111111 -0.0657 2 TI -0.0015 -0.0000 -0.0008 Ti 1 UNL111111 0.2615 3 CL 0.8097 -0.0000 2.0231 Cl 1 UNL111111 -0.0652 4 CL 0.6861 -1.7803 -1.0548 Cl 1 UNL111111 -0.0653 5 CL 0.6861 1.7803 -1.0548 Cl 1 UNL111111 -0.0653 @BOND 1 4 2 1 2 5 2 1 3 2 1 1 4 2 3 1