#
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
AAH      AAH '1-[N-4"-NITROBENZYL-N-4"-CARBOXYBUTY' non-polymer        42  23 M
#
data_comp_AAH
#
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
 AAH           C1     C    .         0.000
 AAH           C2     C    .         0.000
 AAH           C3     C    .         0.000
 AAH           C4     C    .         0.000
 AAH           C5     C    .         0.000
 AAH           C6     C    .         0.000
 AAH           N7     N    .         0.000
 AAH           O8     O    .         0.000
 AAH           O9     O    .         0.000
 AAH           C10    C    .         0.000
 AAH           N11    N    .         0.000
 AAH           C12    C    .         0.000
 AAH           P13    P    .         0.000
 AAH           O14    O    .         0.000
 AAH           O15    O    .         0.000
 AAH           O16    O    .         0.000
 AAH           C17    C    .         0.000
 AAH           C18    C    .         0.000
 AAH           C19    C    .         0.000
 AAH           C20    C    .         0.000
 AAH           C21    C    .         0.000
 AAH           O22    O    .         0.000
 AAH           O23    O    .         0.000
 AAH           H1     H    .         0.000
 AAH           H2     H    .         0.000
 AAH           H4     H    .         0.000
 AAH           H5     H    .         0.000
 AAH           H101   H    .         0.000
 AAH           H102   H    .         0.000
 AAH           H121   H    .         0.000
 AAH           H122   H    .         0.000
 AAH           HO5    H    .         0.000
 AAH           HO6    H    .         0.000
 AAH           H171   H    .         0.000
 AAH           H172   H    .         0.000
 AAH           H181   H    .         0.000
 AAH           H182   H    .         0.000
 AAH           H191   H    .         0.000
 AAH           H192   H    .         0.000
 AAH           H201   H    .         0.000
 AAH           H202   H    .         0.000
 AAH           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
 AAH        C1     C2        double
 AAH        C1     C6        single
 AAH        C1     H1        single
 AAH        C2     C3        single
 AAH        C2     H2        single
 AAH        C3     C4        double
 AAH        C3     C10       single
 AAH        C4     C5        single
 AAH        C4     H4        single
 AAH        C5     C6        double
 AAH        C5     H5        single
 AAH        C6     N7        single
 AAH        N7     O8        double
 AAH        N7     O9        double
 AAH        C10    N11       single
 AAH        C10    H101      single
 AAH        C10    H102      single
 AAH        N11    C12       single
 AAH        N11    C17       single
 AAH        C12    P13       single
 AAH        C12    H121      single
 AAH        C12    H122      single
 AAH        P13    O14       double
 AAH        P13    O15       single
 AAH        P13    O16       single
 AAH        O15    HO5       single
 AAH        O16    HO6       single
 AAH        C17    C18       single
 AAH        C17    H171      single
 AAH        C17    H172      single
 AAH        C18    C19       single
 AAH        C18    H181      single
 AAH        C18    H182      single
 AAH        C19    C20       single
 AAH        C19    H191      single
 AAH        C19    H192      single
 AAH        C20    C21       single
 AAH        C20    H201      single
 AAH        C20    H202      single
 AAH        C21    O22       single
 AAH        C21    O23       double
 AAH        O22    HO2       single