#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
ACI      ACI '6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-E' non-polymer        25  12 M
#
data_comp_ACI
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
 ACI           C1     C    .         0.000
 ACI           C2     C    .         0.000
 ACI           C3     C    .         0.000
 ACI           C4     C    .         0.000
 ACI           C5     C    .         0.000
 ACI           C6     C    .         0.000
 ACI           C7     C    .         0.000
 ACI           N1     N    .         0.000
 ACI           O2     O    .         0.000
 ACI           O3     O    .         0.000
 ACI           O4     O    .         0.000
 ACI           O6     O    .         0.000
 ACI           H1     H    .         0.000
 ACI           H2     H    .         0.000
 ACI           H3     H    .         0.000
 ACI           H4     H    .         0.000
 ACI           H61    H    .         0.000
 ACI           H62    H    .         0.000
 ACI           H7     H    .         0.000
 ACI           HN11   H    .         0.000
 ACI           HN12   H    .         0.000
 ACI           HO2    H    .         0.000
 ACI           HO3    H    .         0.000
 ACI           HO4    H    .         0.000
 ACI           HO6    H    .         0.000
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
 ACI        C1     C2        single
 ACI        C1     C7        single
 ACI        C1     N1        single
 ACI        C1     H1        single
 ACI        C2     C3        single
 ACI        C2     O2        single
 ACI        C2     H2        single
 ACI        C3     C4        single
 ACI        C3     O3        single
 ACI        C3     H3        single
 ACI        C4     C5        single
 ACI        C4     O4        single
 ACI        C4     H4        single
 ACI        C5     C6        single
 ACI        C5     C7        double
 ACI        C6     O6        single
 ACI        C6     H61       single
 ACI        C6     H62       single
 ACI        C7     H7        single
 ACI        N1     HN11      single
 ACI        N1     HN12      single
 ACI        O2     HO2       single
 ACI        O3     HO3       single
 ACI        O4     HO4       single
 ACI        O6     HO6       single