#
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
3MA      3MA '6-AMINO-3-METHYLPURINE              ' non-polymer        19  11 M
#
data_comp_3MA
#
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
 3MA           N9     N    .         0.000
 3MA           C4     C    .         0.000
 3MA           N3     N    .         1.000
 3MA           CN3    C    .         0.000
 3MA           C2     C    .         0.000
 3MA           N1     N    .         0.000
 3MA           C6     C    .         0.000
 3MA           N6     N    .         0.000
 3MA           C5     C    .         0.000
 3MA           N7     N    .         0.000
 3MA           C8     C    .         0.000
 3MA           HN9    H    .         0.000
 3MA           H31    H    .         0.000
 3MA           H32    H    .         0.000
 3MA           H33    H    .         0.000
 3MA           H2     H    .         0.000
 3MA           HN61   H    .         0.000
 3MA           HN62   H    .         0.000
 3MA           H8     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
 3MA        N9     C4        single
 3MA        N9     C8        single
 3MA        N9     HN9       single
 3MA        C4     N3        single
 3MA        C4     C5        double
 3MA        N3     CN3       single
 3MA        N3     C2        double
 3MA        CN3    H31       single
 3MA        CN3    H32       single
 3MA        CN3    H33       single
 3MA        C2     N1        single
 3MA        C2     H2        single
 3MA        N1     C6        double
 3MA        C6     N6        single
 3MA        C6     C5        single
 3MA        N6     HN61      single
 3MA        N6     HN62      single
 3MA        C5     N7        single
 3MA        N7     C8        double
 3MA        C8     H8        single