@MOLECULE BLAHsodium 2 1 0 0 0 SMALL USER_CHARGES @ATOM 1 CS -0.4255 0.0000 -0.0000 Cs 1 UNL111111 0.1747 2 NA 2.4599 -0.0000 0.0000 Na 1 UNL111111 -0.1747 @BOND 1 1 2 1