@MOLECULE diiodomethane 5 4 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0001 -1.0827 0.0000 C.3 1 UNL111111 -0.3646 2 H 0.0001 -1.7064 -0.9018 H 1 UNL111111 0.1734 3 I -1.8237 0.0648 0.0000 I 1 UNL111111 0.0089 4 H -0.0000 -1.7067 0.9016 H 1 UNL111111 0.1734 5 I 1.8237 0.0648 0.0000 I 1 UNL111111 0.0089 @BOND 1 2 1 1 2 1 3 1 3 1 5 1 4 1 4 1