#
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
A80      A80 'N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-N' non-polymer        49  26 M
#
data_comp_A80
#
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
 A80           C1     C    .         0.000
 A80           C2     C    .         0.000
 A80           C3     C    .         0.000
 A80           C4     C    .         0.000
 A80           C5     C    .         0.000
 A80           C6     C    .         0.000
 A80           C7     C    .         0.000
 A80           C8     C    .         0.000
 A80           C9     C    .         0.000
 A80           C10    C    .         0.000
 A80           N11    N    .         0.000
 A80           C12    C    .         0.000
 A80           C13    C    .         0.000
 A80           C14    C    .         0.000
 A80           C15    C    .         0.000
 A80           C16    C    .         0.000
 A80           C17    C    .         0.000
 A80           C18    C    .         0.000
 A80           C19    C    .         0.000
 A80           C20    C    .         0.000
 A80           C21    C    .         0.000
 A80           C22    C    .         0.000
 A80           C23    C    .         0.000
 A80           O24    O    .         0.000
 A80           O25    O    .         0.000
 A80           O26    O    .         0.000
 A80           H2     H    .         0.000
 A80           H3     H    .         0.000
 A80           H6     H    .         0.000
 A80           H7     H    .         0.000
 A80           H9     H    .         0.000
 A80           H11    H    .         0.000
 A80           H14    H    .         0.000
 A80           H15    H    .         0.000
 A80           H17    H    .         0.000
 A80           H18    H    .         0.000
 A80           H201   H    .         0.000
 A80           H202   H    .         0.000
 A80           H203   H    .         0.000
 A80           H211   H    .         0.000
 A80           H212   H    .         0.000
 A80           H213   H    .         0.000
 A80           H221   H    .         0.000
 A80           H222   H    .         0.000
 A80           H223   H    .         0.000
 A80           H231   H    .         0.000
 A80           H232   H    .         0.000
 A80           H233   H    .         0.000
 A80           H25    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
 A80        C1     C2        single
 A80        C1     C10       single
 A80        C1     C20       single
 A80        C1     C21       single
 A80        C2     C3        double
 A80        C2     H2        single
 A80        C3     C4        single
 A80        C3     H3        single
 A80        C4     C5        single
 A80        C4     C22       single
 A80        C4     C23       single
 A80        C5     C6        double
 A80        C5     C10       single
 A80        C6     C7        single
 A80        C6     H6        single
 A80        C7     C8        double
 A80        C7     H7        single
 A80        C8     C9        single
 A80        C8     N11       single
 A80        C9     C10       double
 A80        C9     H9        single
 A80        N11    C12       single
 A80        N11    H11       single
 A80        C12    C13       single
 A80        C12    O24       double
 A80        C13    C14       double
 A80        C13    C18       single
 A80        C14    C15       single
 A80        C14    H14       single
 A80        C15    C16       double
 A80        C15    H15       single
 A80        C16    C17       single
 A80        C16    C19       single
 A80        C17    C18       double
 A80        C17    H17       single
 A80        C18    H18       single
 A80        C19    O25       single
 A80        C19    O26       double
 A80        C20    H201      single
 A80        C20    H202      single
 A80        C20    H203      single
 A80        C21    H211      single
 A80        C21    H212      single
 A80        C21    H213      single
 A80        C22    H221      single
 A80        C22    H222      single
 A80        C22    H223      single
 A80        C23    H231      single
 A80        C23    H232      single
 A80        C23    H233      single
 A80        O25    H25       single