#
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
ANT      ANT 'ANTHRAMYCIN                         ' non-polymer        40  23 M
#
data_comp_ANT
#
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
 ANT           C1     C    .         0.000
 ANT           C2     C    .         0.000
 ANT           C3     C    .         0.000
 ANT           N4     N    .         0.000
 ANT           C5     C    .         0.000
 ANT           O5     O    .         0.000
 ANT           C5A    C    .         0.000
 ANT           C6     C    .         0.000
 ANT           C7     C    .         0.000
 ANT           C8     C    .         0.000
 ANT           C8M    C    .         0.000
 ANT           C9     C    .         0.000
 ANT           C9A    C    .         0.000
 ANT           O9     O    .         0.000
 ANT           N10    N    .         0.000
 ANT           C11    C    .         0.000
 ANT           O11    O    .         0.000
 ANT           C4A    C    .         0.000
 ANT           C12    C    .         0.000
 ANT           C13    C    .         0.000
 ANT           C14    C    .         0.000
 ANT           O14    O    .         0.000
 ANT           N15    N    .         0.000
 ANT           H11    H    .         0.000
 ANT           H12    H    .         0.000
 ANT           H3     H    .         0.000
 ANT           H6     H    .         0.000
 ANT           H7     H    .         0.000
 ANT           HM81   H    .         0.000
 ANT           HM82   H    .         0.000
 ANT           HM83   H    .         0.000
 ANT           HO1    H    .         0.000
 ANT           HN     H    .         0.000
 ANT           H_11   H    .         0.000
 ANT           HO9    H    .         0.000
 ANT           H4A    H    .         0.000
 ANT           H_12   H    .         0.000
 ANT           H13    H    .         0.000
 ANT           HN51   H    .         0.000
 ANT           HN52   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
 ANT        C1     C2        single
 ANT        C1     C4A       single
 ANT        C1     H11       single
 ANT        C1     H12       single
 ANT        C2     C3        double
 ANT        C2     C12       single
 ANT        C3     N4        single
 ANT        C3     H3        single
 ANT        N4     C5        single
 ANT        N4     C4A       single
 ANT        C5     C5A       single
 ANT        C5     O5        double
 ANT        C5A    C6        double
 ANT        C5A    C9A       single
 ANT        C6     C7        single
 ANT        C6     H6        single
 ANT        C7     C8        double
 ANT        C7     H7        single
 ANT        C8     C9        single
 ANT        C8     C8M       single
 ANT        C8M    HM81      single
 ANT        C8M    HM82      single
 ANT        C8M    HM83      single
 ANT        C9     C9A       double
 ANT        C9     O9        single
 ANT        C9A    N10       single
 ANT        O9     HO9       single
 ANT        N10    C11       single
 ANT        N10    HN        single
 ANT        C11    C4A       single
 ANT        C11    O11       single
 ANT        C11    H_11      single
 ANT        O11    HO1       single
 ANT        C4A    H4A       single
 ANT        C12    C13       double
 ANT        C12    H_12      single
 ANT        C13    C14       single
 ANT        C13    H13       single
 ANT        C14    O14       double
 ANT        C14    N15       single
 ANT        N15    HN51      single
 ANT        N15    HN52      single