#
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
ACX      ACX 'ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOS' non-polymer       126  66 M
#
data_comp_ACX
#
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
 ACX           C1A    C    .         0.000
 ACX           C2A    C    .         0.000
 ACX           C3A    C    .         0.000
 ACX           C4A    C    .         0.000
 ACX           C5A    C    .         0.000
 ACX           C6A    C    .         0.000
 ACX           O1A    O    .         0.000
 ACX           O2A    O    .         0.000
 ACX           O3A    O    .         0.000
 ACX           O5A    O    .         0.000
 ACX           O6A    O    .         0.000
 ACX           C1B    C    .         0.000
 ACX           C2B    C    .         0.000
 ACX           C3B    C    .         0.000
 ACX           C4B    C    .         0.000
 ACX           C5B    C    .         0.000
 ACX           C6B    C    .         0.000
 ACX           O1B    O    .         0.000
 ACX           O2B    O    .         0.000
 ACX           O3B    O    .         0.000
 ACX           O5B    O    .         0.000
 ACX           O6B    O    .         0.000
 ACX           C1C    C    .         0.000
 ACX           C2C    C    .         0.000
 ACX           C3C    C    .         0.000
 ACX           C4C    C    .         0.000
 ACX           C5C    C    .         0.000
 ACX           C6C    C    .         0.000
 ACX           O1C    O    .         0.000
 ACX           O2C    O    .         0.000
 ACX           O3C    O    .         0.000
 ACX           O5C    O    .         0.000
 ACX           O6C    O    .         0.000
 ACX           C1D    C    .         0.000
 ACX           C2D    C    .         0.000
 ACX           C3D    C    .         0.000
 ACX           C4D    C    .         0.000
 ACX           C5D    C    .         0.000
 ACX           C6D    C    .         0.000
 ACX           O1D    O    .         0.000
 ACX           O2D    O    .         0.000
 ACX           O3D    O    .         0.000
 ACX           O5D    O    .         0.000
 ACX           O6D    O    .         0.000
 ACX           C1E    C    .         0.000
 ACX           C2E    C    .         0.000
 ACX           C3E    C    .         0.000
 ACX           C4E    C    .         0.000
 ACX           C5E    C    .         0.000
 ACX           C6E    C    .         0.000
 ACX           O1E    O    .         0.000
 ACX           O2E    O    .         0.000
 ACX           O3E    O    .         0.000
 ACX           O5E    O    .         0.000
 ACX           O6E    O    .         0.000
 ACX           C1F    C    .         0.000
 ACX           C2F    C    .         0.000
 ACX           C3F    C    .         0.000
 ACX           C4F    C    .         0.000
 ACX           C5F    C    .         0.000
 ACX           C6F    C    .         0.000
 ACX           O1F    O    .         0.000
 ACX           O2F    O    .         0.000
 ACX           O3F    O    .         0.000
 ACX           O5F    O    .         0.000
 ACX           O6F    O    .         0.000
 ACX           H1A    H    .         0.000
 ACX           H2A    H    .         0.000
 ACX           H3A    H    .         0.000
 ACX           H4A    H    .         0.000
 ACX           H5A    H    .         0.000
 ACX           H6A1   H    .         0.000
 ACX           H6A2   H    .         0.000
 ACX           AHO2   H    .         0.000
 ACX           AHO3   H    .         0.000
 ACX           AHO6   H    .         0.000
 ACX           H1B    H    .         0.000
 ACX           H2B    H    .         0.000
 ACX           H3B    H    .         0.000
 ACX           H4B    H    .         0.000
 ACX           H5B    H    .         0.000
 ACX           H6B1   H    .         0.000
 ACX           H6B2   H    .         0.000
 ACX           BHO2   H    .         0.000
 ACX           BHO3   H    .         0.000
 ACX           BHO6   H    .         0.000
 ACX           H1C    H    .         0.000
 ACX           H2C    H    .         0.000
 ACX           H3C    H    .         0.000
 ACX           H4C    H    .         0.000
 ACX           H5C    H    .         0.000
 ACX           H6C1   H    .         0.000
 ACX           H6C2   H    .         0.000
 ACX           CHO2   H    .         0.000
 ACX           CHO3   H    .         0.000
 ACX           CHO6   H    .         0.000
 ACX           H1D    H    .         0.000
 ACX           H2D    H    .         0.000
 ACX           H3D    H    .         0.000
 ACX           H4D    H    .         0.000
 ACX           H5D    H    .         0.000
 ACX           H6D1   H    .         0.000
 ACX           H6D2   H    .         0.000
 ACX           DHO2   H    .         0.000
 ACX           DHO3   H    .         0.000
 ACX           DHO6   H    .         0.000
 ACX           H1E    H    .         0.000
 ACX           H2E    H    .         0.000
 ACX           H3E    H    .         0.000
 ACX           H4E    H    .         0.000
 ACX           H5E    H    .         0.000
 ACX           H6E1   H    .         0.000
 ACX           H6E2   H    .         0.000
 ACX           EHO2   H    .         0.000
 ACX           EHO3   H    .         0.000
 ACX           EHO6   H    .         0.000
 ACX           H1F    H    .         0.000
 ACX           H2F    H    .         0.000
 ACX           H3F    H    .         0.000
 ACX           H4F    H    .         0.000
 ACX           H5F    H    .         0.000
 ACX           H6F1   H    .         0.000
 ACX           H6F2   H    .         0.000
 ACX           FHO2   H    .         0.000
 ACX           FHO3   H    .         0.000
 ACX           FHO6   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
 ACX        C1A    C2A       single
 ACX        C1A    O1A       single
 ACX        C1A    O5A       single
 ACX        C1A    H1A       single
 ACX        C2A    C3A       single
 ACX        C2A    O2A       single
 ACX        C2A    H2A       single
 ACX        C3A    C4A       single
 ACX        C3A    O3A       single
 ACX        C3A    H3A       single
 ACX        C4A    C5A       single
 ACX        C4A    O1F       single
 ACX        C4A    H4A       single
 ACX        C5A    C6A       single
 ACX        C5A    O5A       single
 ACX        C5A    H5A       single
 ACX        C6A    O6A       single
 ACX        C6A    H6A1      single
 ACX        C6A    H6A2      single
 ACX        O1A    C4B       single
 ACX        O2A    AHO2      single
 ACX        O3A    AHO3      single
 ACX        O6A    AHO6      single
 ACX        C1B    C2B       single
 ACX        C1B    O1B       single
 ACX        C1B    O5B       single
 ACX        C1B    H1B       single
 ACX        C2B    C3B       single
 ACX        C2B    O2B       single
 ACX        C2B    H2B       single
 ACX        C3B    C4B       single
 ACX        C3B    O3B       single
 ACX        C3B    H3B       single
 ACX        C4B    C5B       single
 ACX        C4B    H4B       single
 ACX        C5B    C6B       single
 ACX        C5B    O5B       single
 ACX        C5B    H5B       single
 ACX        C6B    O6B       single
 ACX        C6B    H6B1      single
 ACX        C6B    H6B2      single
 ACX        O1B    C4C       single
 ACX        O2B    BHO2      single
 ACX        O3B    BHO3      single
 ACX        O6B    BHO6      single
 ACX        C1C    C2C       single
 ACX        C1C    O1C       single
 ACX        C1C    O5C       single
 ACX        C1C    H1C       single
 ACX        C2C    C3C       single
 ACX        C2C    O2C       single
 ACX        C2C    H2C       single
 ACX        C3C    C4C       single
 ACX        C3C    O3C       single
 ACX        C3C    H3C       single
 ACX        C4C    C5C       single
 ACX        C4C    H4C       single
 ACX        C5C    C6C       single
 ACX        C5C    O5C       single
 ACX        C5C    H5C       single
 ACX        C6C    O6C       single
 ACX        C6C    H6C1      single
 ACX        C6C    H6C2      single
 ACX        O1C    C4D       single
 ACX        O2C    CHO2      single
 ACX        O3C    CHO3      single
 ACX        O6C    CHO6      single
 ACX        C1D    C2D       single
 ACX        C1D    O1D       single
 ACX        C1D    O5D       single
 ACX        C1D    H1D       single
 ACX        C2D    C3D       single
 ACX        C2D    O2D       single
 ACX        C2D    H2D       single
 ACX        C3D    C4D       single
 ACX        C3D    O3D       single
 ACX        C3D    H3D       single
 ACX        C4D    C5D       single
 ACX        C4D    H4D       single
 ACX        C5D    C6D       single
 ACX        C5D    O5D       single
 ACX        C5D    H5D       single
 ACX        C6D    O6D       single
 ACX        C6D    H6D1      single
 ACX        C6D    H6D2      single
 ACX        O1D    C4E       single
 ACX        O2D    DHO2      single
 ACX        O3D    DHO3      single
 ACX        O6D    DHO6      single
 ACX        C1E    C2E       single
 ACX        C1E    O1E       single
 ACX        C1E    O5E       single
 ACX        C1E    H1E       single
 ACX        C2E    C3E       single
 ACX        C2E    O2E       single
 ACX        C2E    H2E       single
 ACX        C3E    C4E       single
 ACX        C3E    O3E       single
 ACX        C3E    H3E       single
 ACX        C4E    C5E       single
 ACX        C4E    H4E       single
 ACX        C5E    C6E       single
 ACX        C5E    O5E       single
 ACX        C5E    H5E       single
 ACX        C6E    O6E       single
 ACX        C6E    H6E1      single
 ACX        C6E    H6E2      single
 ACX        O1E    C4F       single
 ACX        O2E    EHO2      single
 ACX        O3E    EHO3      single
 ACX        O6E    EHO6      single
 ACX        C1F    C2F       single
 ACX        C1F    O1F       single
 ACX        C1F    O5F       single
 ACX        C1F    H1F       single
 ACX        C2F    C3F       single
 ACX        C2F    O2F       single
 ACX        C2F    H2F       single
 ACX        C3F    C4F       single
 ACX        C3F    O3F       single
 ACX        C3F    H3F       single
 ACX        C4F    C5F       single
 ACX        C4F    H4F       single
 ACX        C5F    C6F       single
 ACX        C5F    O5F       single
 ACX        C5F    H5F       single
 ACX        C6F    O6F       single
 ACX        C6F    H6F1      single
 ACX        C6F    H6F2      single
 ACX        O2F    FHO2      single
 ACX        O3F    FHO3      single
 ACX        O6F    FHO6      single