#
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
ABC      ABC 'MODIFIED ACARBOSE HEXASACCHARIDE    ' non-polymer       127  64 M
#
data_comp_ABC
#
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
 ABC           C1G    C    .         0.000
 ABC           C2G    C    .         0.000
 ABC           C3G    C    .         0.000
 ABC           C4G    C    .         0.000
 ABC           C5G    C    .         0.000
 ABC           C6G    C    .         0.000
 ABC           O5G    O    .         0.000
 ABC           O2G    O    .         0.000
 ABC           O3G    O    .         0.000
 ABC           O4G    O    .         0.000
 ABC           C1H    C    .         0.000
 ABC           C2H    C    .         0.000
 ABC           C3H    C    .         0.000
 ABC           C4H    C    .         0.000
 ABC           C5H    C    .         0.000
 ABC           C6H    C    .         0.000
 ABC           O5H    O    .         0.000
 ABC           O2H    O    .         0.000
 ABC           O3H    O    .         0.000
 ABC           O4H    O    .         0.000
 ABC           O6H    O    .         0.000
 ABC           C1I    C    .         0.000
 ABC           C2I    C    .         0.000
 ABC           C3I    C    .         0.000
 ABC           C4I    C    .         0.000
 ABC           C5I    C    .         0.000
 ABC           C6I    C    .         0.000
 ABC           C7I    C    .         0.000
 ABC           O2I    O    .         0.000
 ABC           O3I    O    .         0.000
 ABC           O4I    O    .         0.000
 ABC           O6I    O    .         0.000
 ABC           C1J    C    .         0.000
 ABC           C2J    C    .         0.000
 ABC           C3J    C    .         0.000
 ABC           C4J    C    .         0.000
 ABC           C5J    C    .         0.000
 ABC           C6J    C    .         0.000
 ABC           O5J    O    .         0.000
 ABC           O2J    O    .         0.000
 ABC           O3J    O    .         0.000
 ABC           N1J    N    .         0.000
 ABC           C1K    C    .         0.000
 ABC           C2K    C    .         0.000
 ABC           C3K    C    .         0.000
 ABC           C4K    C    .         0.000
 ABC           C5K    C    .         0.000
 ABC           C6K    C    .         0.000
 ABC           O5K    O    .         0.000
 ABC           O2K    O    .         0.000
 ABC           O3K    O    .         0.000
 ABC           O4K    O    .         0.000
 ABC           O6K    O    .         0.000
 ABC           C1L    C    .         0.000
 ABC           C2L    C    .         0.000
 ABC           C3L    C    .         0.000
 ABC           C4L    C    .         0.000
 ABC           C5L    C    .         0.000
 ABC           C6L    C    .         0.000
 ABC           O5L    O    .         0.000
 ABC           O2L    O    .         0.000
 ABC           O3L    O    .         0.000
 ABC           O4L    O    .         0.000
 ABC           O1L    O    .         0.000
 ABC           H1G    H    .         0.000
 ABC           H2G    H    .         0.000
 ABC           H3G    H    .         0.000
 ABC           H4G    H    .         0.000
 ABC           H5G    H    .         0.000
 ABC           H6G1   H    .         0.000
 ABC           H6G2   H    .         0.000
 ABC           H6G3   H    .         0.000
 ABC           GHO2   H    .         0.000
 ABC           GHO3   H    .         0.000
 ABC           GHO4   H    .         0.000
 ABC           H1H    H    .         0.000
 ABC           H2H    H    .         0.000
 ABC           H3H    H    .         0.000
 ABC           H4H    H    .         0.000
 ABC           H5H    H    .         0.000
 ABC           H6H1   H    .         0.000
 ABC           H6H2   H    .         0.000
 ABC           HHO2   H    .         0.000
 ABC           HHO3   H    .         0.000
 ABC           HHO6   H    .         0.000
 ABC           H1I    H    .         0.000
 ABC           H2I    H    .         0.000
 ABC           H3I    H    .         0.000
 ABC           H4I    H    .         0.000
 ABC           H6I1   H    .         0.000
 ABC           H6I2   H    .         0.000
 ABC           H7I    H    .         0.000
 ABC           IHO2   H    .         0.000
 ABC           IHO3   H    .         0.000
 ABC           IHO6   H    .         0.000
 ABC           H1J    H    .         0.000
 ABC           H2J    H    .         0.000
 ABC           H3J    H    .         0.000
 ABC           H4J    H    .         0.000
 ABC           H5J    H    .         0.000
 ABC           H6J1   H    .         0.000
 ABC           H6J2   H    .         0.000
 ABC           H6J3   H    .         0.000
 ABC           JHO2   H    .         0.000
 ABC           JHO3   H    .         0.000
 ABC           HN1    H    .         0.000
 ABC           H1K    H    .         0.000
 ABC           H2K    H    .         0.000
 ABC           H3K    H    .         0.000
 ABC           H4K    H    .         0.000
 ABC           H5K    H    .         0.000
 ABC           H6K1   H    .         0.000
 ABC           H6K2   H    .         0.000
 ABC           KHO2   H    .         0.000
 ABC           KHO3   H    .         0.000
 ABC           KHO6   H    .         0.000
 ABC           H1L    H    .         0.000
 ABC           H2L    H    .         0.000
 ABC           H3L    H    .         0.000
 ABC           H4L    H    .         0.000
 ABC           H5L    H    .         0.000
 ABC           H6L1   H    .         0.000
 ABC           H6L2   H    .         0.000
 ABC           H6L3   H    .         0.000
 ABC           LHO2   H    .         0.000
 ABC           LHO3   H    .         0.000
 ABC           LHO1   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
 ABC        C1G    C2G       single
 ABC        C1G    O5G       single
 ABC        C1G    O4H       single
 ABC        C1G    H1G       single
 ABC        C2G    C3G       single
 ABC        C2G    O2G       single
 ABC        C2G    H2G       single
 ABC        C3G    C4G       single
 ABC        C3G    O3G       single
 ABC        C3G    H3G       single
 ABC        C4G    C5G       single
 ABC        C4G    O4G       single
 ABC        C4G    H4G       single
 ABC        C5G    C6G       single
 ABC        C5G    O5G       single
 ABC        C5G    H5G       single
 ABC        C6G    H6G1      single
 ABC        C6G    H6G2      single
 ABC        C6G    H6G3      single
 ABC        O2G    GHO2      single
 ABC        O3G    GHO3      single
 ABC        O4G    GHO4      single
 ABC        C1H    C2H       single
 ABC        C1H    O5H       single
 ABC        C1H    O4I       single
 ABC        C1H    H1H       single
 ABC        C2H    C3H       single
 ABC        C2H    O2H       single
 ABC        C2H    H2H       single
 ABC        C3H    C4H       single
 ABC        C3H    O3H       single
 ABC        C3H    H3H       single
 ABC        C4H    C5H       single
 ABC        C4H    O4H       single
 ABC        C4H    H4H       single
 ABC        C5H    C6H       single
 ABC        C5H    O5H       single
 ABC        C5H    H5H       single
 ABC        C6H    O6H       single
 ABC        C6H    H6H1      single
 ABC        C6H    H6H2      single
 ABC        O2H    HHO2      single
 ABC        O3H    HHO3      single
 ABC        O6H    HHO6      single
 ABC        C1I    C2I       single
 ABC        C1I    C7I       single
 ABC        C1I    N1J       single
 ABC        C1I    H1I       single
 ABC        C2I    C3I       single
 ABC        C2I    O2I       single
 ABC        C2I    H2I       single
 ABC        C3I    C4I       single
 ABC        C3I    O3I       single
 ABC        C3I    H3I       single
 ABC        C4I    C5I       single
 ABC        C4I    O4I       single
 ABC        C4I    H4I       single
 ABC        C5I    C6I       single
 ABC        C5I    C7I       double
 ABC        C6I    O6I       single
 ABC        C6I    H6I1      single
 ABC        C6I    H6I2      single
 ABC        C7I    H7I       single
 ABC        O2I    IHO2      single
 ABC        O3I    IHO3      single
 ABC        O6I    IHO6      single
 ABC        C1J    C2J       single
 ABC        C1J    O5J       single
 ABC        C1J    O4K       single
 ABC        C1J    H1J       single
 ABC        C2J    C3J       single
 ABC        C2J    O2J       single
 ABC        C2J    H2J       single
 ABC        C3J    C4J       single
 ABC        C3J    O3J       single
 ABC        C3J    H3J       single
 ABC        C4J    C5J       single
 ABC        C4J    N1J       single
 ABC        C4J    H4J       single
 ABC        C5J    C6J       single
 ABC        C5J    O5J       single
 ABC        C5J    H5J       single
 ABC        C6J    H6J1      single
 ABC        C6J    H6J2      single
 ABC        C6J    H6J3      single
 ABC        O2J    JHO2      single
 ABC        O3J    JHO3      single
 ABC        N1J    HN1       single
 ABC        C1K    C2K       single
 ABC        C1K    O5K       single
 ABC        C1K    O4L       single
 ABC        C1K    H1K       single
 ABC        C2K    C3K       single
 ABC        C2K    O2K       single
 ABC        C2K    H2K       single
 ABC        C3K    C4K       single
 ABC        C3K    O3K       single
 ABC        C3K    H3K       single
 ABC        C4K    C5K       single
 ABC        C4K    O4K       single
 ABC        C4K    H4K       single
 ABC        C5K    C6K       single
 ABC        C5K    O5K       single
 ABC        C5K    H5K       single
 ABC        C6K    O6K       single
 ABC        C6K    H6K1      single
 ABC        C6K    H6K2      single
 ABC        O2K    KHO2      single
 ABC        O3K    KHO3      single
 ABC        O6K    KHO6      single
 ABC        C1L    C2L       single
 ABC        C1L    O5L       single
 ABC        C1L    O1L       single
 ABC        C1L    H1L       single
 ABC        C2L    C3L       single
 ABC        C2L    O2L       single
 ABC        C2L    H2L       single
 ABC        C3L    C4L       single
 ABC        C3L    O3L       single
 ABC        C3L    H3L       single
 ABC        C4L    C5L       single
 ABC        C4L    O4L       single
 ABC        C4L    H4L       single
 ABC        C5L    C6L       single
 ABC        C5L    O5L       single
 ABC        C5L    H5L       single
 ABC        C6L    H6L1      single
 ABC        C6L    H6L2      single
 ABC        C6L    H6L3      single
 ABC        O2L    LHO2      single
 ABC        O3L    LHO3      single
 ABC        O1L    LHO1      single