#
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
PHN      PHN '1,10-PHENANTHROLINE                 ' non-polymer        22  14 M
#
data_comp_PHN
#
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
 PHN           N1     N    .         0.000
 PHN           C2     C    .         0.000
 PHN           C3     C    .         0.000
 PHN           C4     C    .         0.000
 PHN           C4A    C    .         0.000
 PHN           C5     C    .         0.000
 PHN           C6     C    .         0.000
 PHN           C6A    C    .         0.000
 PHN           C7     C    .         0.000
 PHN           C8     C    .         0.000
 PHN           C9     C    .         0.000
 PHN           N10    N    .         0.000
 PHN           C10    C    .         0.000
 PHN           C1A    C    .         0.000
 PHN           H2     H    .         0.000
 PHN           H3     H    .         0.000
 PHN           H4     H    .         0.000
 PHN           H5     H    .         0.000
 PHN           H6     H    .         0.000
 PHN           H7     H    .         0.000
 PHN           H8     H    .         0.000
 PHN           H9     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
 PHN        N1     C2        double
 PHN        N1     C1A       single
 PHN        C2     C3        single
 PHN        C2     H2        single
 PHN        C3     C4        double
 PHN        C3     H3        single
 PHN        C4     C4A       single
 PHN        C4     H4        single
 PHN        C4A    C5        double
 PHN        C4A    C1A       single
 PHN        C5     C6        single
 PHN        C5     H5        single
 PHN        C6     C6A       double
 PHN        C6     H6        single
 PHN        C6A    C7        single
 PHN        C6A    C10       single
 PHN        C7     C8        double
 PHN        C7     H7        single
 PHN        C8     C9        single
 PHN        C8     H8        single
 PHN        C9     N10       double
 PHN        C9     H9        single
 PHN        N10    C10       single
 PHN        C10    C1A       double