HEADER REMARK acetic_acid_3335 HETATM 1 C 1 0.173 0.065 0.000 C HETATM 2 O 1 1.376 0.064 0.000 O HETATM 3 O 1 -0.509 1.242 0.000 O HETATM 4 C 1 -0.662 -1.212 0.000 C HETATM 5 H 1 -1.467 1.078 0.000 H HETATM 6 H 1 -0.393 -1.802 0.881 H HETATM 7 H 1 -0.393 -1.802 -0.881 H HETATM 8 H 1 -1.744 -1.047 0.000 H CONECT 1 2 3 4 CONECT 2 1 CONECT 3 1 5 CONECT 4 1 6 7 8 CONECT 5 3 CONECT 6 4 CONECT 7 4 CONECT 8 4 END