@MOLECULE hydrate hydrobromide 4 2 0 0 0 SMALL USER_CHARGES @ATOM 1 O2 -3.3130 0.0062 0.0016 O.3 1 NAPW1111 -0.6495 2 H3 -2.6711 0.7138 -0.0162 H 1 NAPW1111 0.3246 3 H4 -2.8003 -0.7999 -0.0142 H 1 NAPW1111 0.3246 4 BR1 0.7324 -0.0002 0.0001 Br 1 NAPW1111 0.0003 @BOND 1 1 3 1 2 1 2 1