#
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
ARQ      ARQ 'BENZOYLAMINO-BENZYL-METHYL-[2-HYDROX' non-polymer        75  37 M
#
data_comp_ARQ
#
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
 ARQ           C1     C    .         0.000
 ARQ           C2     C    .         0.000
 ARQ           C3     C    .         0.000
 ARQ           C4     C    .         0.000
 ARQ           O4     O    .         0.000
 ARQ           C30    C    .         0.000
 ARQ           O3     O    .         0.000
 ARQ           N1     N    .         0.000
 ARQ           C5     C    .         0.000
 ARQ           C6     C    .         0.000
 ARQ           C7     C    .         0.000
 ARQ           C8     C    .         0.000
 ARQ           C9     C    .         0.000
 ARQ           C10    C    .         0.000
 ARQ           C11    C    .         0.000
 ARQ           C12    C    .         0.000
 ARQ           C13    C    .         0.000
 ARQ           O1     O    .         0.000
 ARQ           C14    C    .         0.000
 ARQ           N2     N    .         1.000
 ARQ           C22    C    .         0.000
 ARQ           C15    C    .         0.000
 ARQ           C16    C    .         0.000
 ARQ           C17    C    .         0.000
 ARQ           C18    C    .         0.000
 ARQ           C19    C    .         0.000
 ARQ           C20    C    .         0.000
 ARQ           C21    C    .         0.000
 ARQ           N3     N    .         0.000
 ARQ           C23    C    .         0.000
 ARQ           O2     O    .         0.000
 ARQ           C27    C    .         0.000
 ARQ           C26    C    .         0.000
 ARQ           C25    C    .         0.000
 ARQ           C24    C    .         0.000
 ARQ           C28    C    .         0.000
 ARQ           C29    C    .         0.000
 ARQ           H21    H    .         0.000
 ARQ           H22    H    .         0.000
 ARQ           H23    H    .         0.000
 ARQ           H31    H    .         0.000
 ARQ           H32    H    .         0.000
 ARQ           H33    H    .         0.000
 ARQ           H41    H    .         0.000
 ARQ           H42    H    .         0.000
 ARQ           H43    H    .         0.000
 ARQ           HN1    H    .         0.000
 ARQ           H5     H    .         0.000
 ARQ           H61    H    .         0.000
 ARQ           H62    H    .         0.000
 ARQ           H8     H    .         0.000
 ARQ           H9     H    .         0.000
 ARQ           H10    H    .         0.000
 ARQ           H11    H    .         0.000
 ARQ           H12    H    .         0.000
 ARQ           H13    H    .         0.000
 ARQ           HO1    H    .         0.000
 ARQ           H141   H    .         0.000
 ARQ           H142   H    .         0.000
 ARQ           H221   H    .         0.000
 ARQ           H222   H    .         0.000
 ARQ           H223   H    .         0.000
 ARQ           H151   H    .         0.000
 ARQ           H152   H    .         0.000
 ARQ           H17    H    .         0.000
 ARQ           H18    H    .         0.000
 ARQ           H19    H    .         0.000
 ARQ           H20    H    .         0.000
 ARQ           H_21   H    .         0.000
 ARQ           HN3    H    .         0.000
 ARQ           H26    H    .         0.000
 ARQ           H25    H    .         0.000
 ARQ           H24    H    .         0.000
 ARQ           H28    H    .         0.000
 ARQ           H29    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
 ARQ        C1     C4        single
 ARQ        C1     C2        single
 ARQ        C1     C3        single
 ARQ        C1     O4        single
 ARQ        C2     H21       single
 ARQ        C2     H22       single
 ARQ        C2     H23       single
 ARQ        C3     H31       single
 ARQ        C3     H32       single
 ARQ        C3     H33       single
 ARQ        C4     H41       single
 ARQ        C4     H42       single
 ARQ        C4     H43       single
 ARQ        O4     C30       single
 ARQ        C30    N1        single
 ARQ        C30    O3        double
 ARQ        N1     C5        single
 ARQ        N1     HN1       single
 ARQ        C5     C6        single
 ARQ        C5     C13       single
 ARQ        C5     H5        single
 ARQ        C6     C7        single
 ARQ        C6     H61       single
 ARQ        C6     H62       single
 ARQ        C7     C8        double
 ARQ        C7     C11       single
 ARQ        C8     C9        single
 ARQ        C8     H8        single
 ARQ        C9     C10       double
 ARQ        C9     H9        single
 ARQ        C10    C12       single
 ARQ        C10    H10       single
 ARQ        C11    C12       double
 ARQ        C11    H11       single
 ARQ        C12    H12       single
 ARQ        C13    C14       single
 ARQ        C13    O1        single
 ARQ        C13    H13       single
 ARQ        O1     HO1       single
 ARQ        C14    N2        single
 ARQ        C14    H141      single
 ARQ        C14    H142      single
 ARQ        N2     C15       single
 ARQ        N2     N3        single
 ARQ        N2     C22       single
 ARQ        C22    H221      single
 ARQ        C22    H222      single
 ARQ        C22    H223      single
 ARQ        C15    C16       single
 ARQ        C15    H151      single
 ARQ        C15    H152      single
 ARQ        C16    C17       double
 ARQ        C16    C20       single
 ARQ        C17    C18       single
 ARQ        C17    H17       single
 ARQ        C18    C19       double
 ARQ        C18    H18       single
 ARQ        C19    C21       single
 ARQ        C19    H19       single
 ARQ        C20    C21       double
 ARQ        C20    H20       single
 ARQ        C21    H_21      single
 ARQ        N3     C23       single
 ARQ        N3     HN3       single
 ARQ        C23    O2        double
 ARQ        C23    C27       single
 ARQ        C27    C26       double
 ARQ        C27    C28       single
 ARQ        C26    C25       single
 ARQ        C26    H26       single
 ARQ        C25    C24       double
 ARQ        C25    H25       single
 ARQ        C24    C29       single
 ARQ        C24    H24       single
 ARQ        C28    C29       double
 ARQ        C28    H28       single
 ARQ        C29    H29       single