#
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
FL9      FL9 'AURON                               ' non-polymer        31  23 M
#
data_comp_FL9
#
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
 FL9           C2     C    .         0.000
 FL9           C3     C    .         0.000
 FL9           C3A    C    .         0.000
 FL9           C4     C    .         0.000
 FL9           C5     C    .         0.000
 FL9           C6     C    .         0.000
 FL9           C7     C    .         0.000
 FL9           C7A    C    .         0.000
 FL9           C21    C    .         0.000
 FL9           C1*    C    .         0.000
 FL9           C2*    C    .         0.000
 FL9           C3*    C    .         0.000
 FL9           C4*    C    .         0.000
 FL9           C5*    C    .         0.000
 FL9           C6*    C    .         0.000
 FL9           BR1    BR   .         0.000
 FL9           BR2    BR   .         0.000
 FL9           O1     O    .         0.000
 FL9           O3     O    .         0.000
 FL9           O4     O    .         0.000
 FL9           O6     O    .         0.000
 FL9           O2*    O    .         0.000
 FL9           O4*    O    .         0.000
 FL9           H5     H    .         0.000
 FL9           H7     H    .         0.000
 FL9           H21    H    .         0.000
 FL9           H6*    H    .         0.000
 FL9           HO4    H    .         0.000
 FL9           HO6    H    .         0.000
 FL9           HO2*   H    .         0.000
 FL9           HO4*   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
 FL9        C2     C3        single
 FL9        C2     C21       double
 FL9        C2     O1        single
 FL9        C3     C3A       single
 FL9        C3     O3        double
 FL9        C3A    C4        double
 FL9        C3A    C7A       single
 FL9        C4     C5        single
 FL9        C4     O4        single
 FL9        C5     C6        double
 FL9        C5     H5        single
 FL9        C6     C7        single
 FL9        C6     O6        single
 FL9        C7     C7A       double
 FL9        C7     H7        single
 FL9        C7A    O1        single
 FL9        C21    C1*       single
 FL9        C21    H21       single
 FL9        C1*    C2*       double
 FL9        C1*    C6*       single
 FL9        C2*    C3*       single
 FL9        C2*    O2*       single
 FL9        C3*    C4*       double
 FL9        C3*    BR1       single
 FL9        C4*    C5*       single
 FL9        C4*    O4*       single
 FL9        C5*    C6*       double
 FL9        C5*    BR2       single
 FL9        C6*    H6*       single
 FL9        O4     HO4       single
 FL9        O6     HO6       single
 FL9        O2*    HO2*      single
 FL9        O4*    HO4*      single