#
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
ACD      ACD 'ARACHIDONIC ACID                    ' non-polymer        54  22 M
#
data_comp_ACD
#
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
 ACD           C1     C    .         0.000
 ACD           C2     C    .         0.000
 ACD           C3     C    .         0.000
 ACD           C4     C    .         0.000
 ACD           C5     C    .         0.000
 ACD           C6     C    .         0.000
 ACD           C7     C    .         0.000
 ACD           C8     C    .         0.000
 ACD           C9     C    .         0.000
 ACD           C10    C    .         0.000
 ACD           C11    C    .         0.000
 ACD           C12    C    .         0.000
 ACD           C13    C    .         0.000
 ACD           C14    C    .         0.000
 ACD           C15    C    .         0.000
 ACD           C16    C    .         0.000
 ACD           C17    C    .         0.000
 ACD           C18    C    .         0.000
 ACD           C19    C    .         0.000
 ACD           C20    C    .         0.000
 ACD           O1     O    .         0.000
 ACD           O2     O    .         0.000
 ACD           H21    H    .         0.000
 ACD           H22    H    .         0.000
 ACD           H31    H    .         0.000
 ACD           H32    H    .         0.000
 ACD           H41    H    .         0.000
 ACD           H42    H    .         0.000
 ACD           H5     H    .         0.000
 ACD           H6     H    .         0.000
 ACD           H71    H    .         0.000
 ACD           H72    H    .         0.000
 ACD           H8     H    .         0.000
 ACD           H9     H    .         0.000
 ACD           H101   H    .         0.000
 ACD           H102   H    .         0.000
 ACD           H11    H    .         0.000
 ACD           H12    H    .         0.000
 ACD           H131   H    .         0.000
 ACD           H132   H    .         0.000
 ACD           H14    H    .         0.000
 ACD           H15    H    .         0.000
 ACD           H161   H    .         0.000
 ACD           H162   H    .         0.000
 ACD           H171   H    .         0.000
 ACD           H172   H    .         0.000
 ACD           H181   H    .         0.000
 ACD           H182   H    .         0.000
 ACD           H191   H    .         0.000
 ACD           H192   H    .         0.000
 ACD           H201   H    .         0.000
 ACD           H202   H    .         0.000
 ACD           H203   H    .         0.000
 ACD           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
 ACD        C1     C2        single
 ACD        C1     O1        double
 ACD        C1     O2        single
 ACD        C2     C3        single
 ACD        C2     H21       single
 ACD        C2     H22       single
 ACD        C3     C4        single
 ACD        C3     H31       single
 ACD        C3     H32       single
 ACD        C4     C5        single
 ACD        C4     H41       single
 ACD        C4     H42       single
 ACD        C5     C6        double
 ACD        C5     H5        single
 ACD        C6     C7        single
 ACD        C6     H6        single
 ACD        C7     C8        single
 ACD        C7     H71       single
 ACD        C7     H72       single
 ACD        C8     C9        double
 ACD        C8     H8        single
 ACD        C9     C10       single
 ACD        C9     H9        single
 ACD        C10    C11       single
 ACD        C10    H101      single
 ACD        C10    H102      single
 ACD        C11    C12       double
 ACD        C11    H11       single
 ACD        C12    C13       single
 ACD        C12    H12       single
 ACD        C13    C14       single
 ACD        C13    H131      single
 ACD        C13    H132      single
 ACD        C14    C15       double
 ACD        C14    H14       single
 ACD        C15    C16       single
 ACD        C15    H15       single
 ACD        C16    C17       single
 ACD        C16    H161      single
 ACD        C16    H162      single
 ACD        C17    C18       single
 ACD        C17    H171      single
 ACD        C17    H172      single
 ACD        C18    C19       single
 ACD        C18    H181      single
 ACD        C18    H182      single
 ACD        C19    C20       single
 ACD        C19    H191      single
 ACD        C19    H192      single
 ACD        C20    H201      single
 ACD        C20    H202      single
 ACD        C20    H203      single
 ACD        O2     HO2       single