#
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
NIO      NIO 'NICOTINIC ACID                      ' non-polymer        14   9 M
#
data_comp_NIO
#
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
 NIO           N      N    .         0.000
 NIO           C1     C    .         0.000
 NIO           C2     C    .         0.000
 NIO           C3     C    .         0.000
 NIO           C4     C    .         0.000
 NIO           C5     C    .         0.000
 NIO           C6     C    .         0.000
 NIO           O1     O    .         0.000
 NIO           O2     O    .         0.000
 NIO           H1     H    .         0.000
 NIO           H3     H    .         0.000
 NIO           H4     H    .         0.000
 NIO           H5     H    .         0.000
 NIO           HO2    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
 NIO        N      C1        double
 NIO        N      C5        single
 NIO        C1     C2        single
 NIO        C1     H1        single
 NIO        C2     C3        double
 NIO        C2     C6        single
 NIO        C3     C4        single
 NIO        C3     H3        single
 NIO        C4     C5        double
 NIO        C4     H4        single
 NIO        C5     H5        single
 NIO        C6     O1        double
 NIO        C6     O2        single
 NIO        O2     HO2       single