@MOLECULE rubidium hydroxide 3 2 0 0 0 SMALL USER_CHARGES @ATOM 1 RB -0.3911 0.0000 0.0000 Rb 1 UNL111111 0.9158 2 O 1.9139 -0.0000 -0.0000 O.3 1 UNL111111 -1.2728 3 H 2.7867 0.0000 0.0000 H 1 UNL111111 0.3570 @BOND 1 1 2 1 2 2 3 1