#
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
IDM      IDM 'INDOLINE                            ' non-polymer        18   9 M
#
data_comp_IDM
#
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
 IDM           N1     N    .         0.000
 IDM           C2     C    .         0.000
 IDM           C3     C    .         0.000
 IDM           C4A    C    .         0.000
 IDM           C4     C    .         0.000
 IDM           C5     C    .         0.000
 IDM           C6     C    .         0.000
 IDM           C7     C    .         0.000
 IDM           C7A    C    .         0.000
 IDM           HN1    H    .         0.000
 IDM           H21    H    .         0.000
 IDM           H22    H    .         0.000
 IDM           H31    H    .         0.000
 IDM           H32    H    .         0.000
 IDM           H4     H    .         0.000
 IDM           H5     H    .         0.000
 IDM           H6     H    .         0.000
 IDM           H7     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
 IDM        N1     C2        single
 IDM        N1     C7A       single
 IDM        N1     HN1       single
 IDM        C2     C3        single
 IDM        C2     H21       single
 IDM        C2     H22       single
 IDM        C3     C4A       single
 IDM        C3     H31       single
 IDM        C3     H32       single
 IDM        C4A    C4        double
 IDM        C4A    C7A       single
 IDM        C4     C5        single
 IDM        C4     H4        single
 IDM        C5     C6        double
 IDM        C5     H5        single
 IDM        C6     C7        single
 IDM        C6     H6        single
 IDM        C7     C7A       double
 IDM        C7     H7        single