#
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
ATZ      ATZ '2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMI' non-polymer        28  14 M
#
data_comp_ATZ
#
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
 ATZ           N1     N    .         0.000
 ATZ           C2     C    .         0.000
 ATZ           CL2    CL   .         0.000
 ATZ           N3     N    .         0.000
 ATZ           C4     C    .         0.000
 ATZ           N5     N    .         0.000
 ATZ           C6     C    .         0.000
 ATZ           N7     N    .         0.000
 ATZ           C8     C    .         0.000
 ATZ           C9     C    .         0.000
 ATZ           C10    C    .         0.000
 ATZ           N11    N    .         0.000
 ATZ           C12    C    .         0.000
 ATZ           C13    C    .         0.000
 ATZ           HN7    H    .         0.000
 ATZ           H8     H    .         0.000
 ATZ           H91    H    .         0.000
 ATZ           H92    H    .         0.000
 ATZ           H93    H    .         0.000
 ATZ           H101   H    .         0.000
 ATZ           H102   H    .         0.000
 ATZ           H103   H    .         0.000
 ATZ           H11    H    .         0.000
 ATZ           H121   H    .         0.000
 ATZ           H122   H    .         0.000
 ATZ           H131   H    .         0.000
 ATZ           H132   H    .         0.000
 ATZ           H133   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
 ATZ        N1     C2        double
 ATZ        N1     C6        single
 ATZ        C2     CL2       single
 ATZ        C2     N3        single
 ATZ        N3     C4        double
 ATZ        C4     N5        single
 ATZ        C4     N7        single
 ATZ        N5     C6        double
 ATZ        C6     N11       single
 ATZ        N7     C8        single
 ATZ        N7     HN7       single
 ATZ        C8     C9        single
 ATZ        C8     C10       single
 ATZ        C8     H8        single
 ATZ        C9     H91       single
 ATZ        C9     H92       single
 ATZ        C9     H93       single
 ATZ        C10    H101      single
 ATZ        C10    H102      single
 ATZ        C10    H103      single
 ATZ        N11    C12       single
 ATZ        N11    H11       single
 ATZ        C12    C13       single
 ATZ        C12    H121      single
 ATZ        C12    H122      single
 ATZ        C13    H131      single
 ATZ        C13    H132      single
 ATZ        C13    H133      single