#
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
A88      A88 '(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXY' non-polymer        80  43 M
#
data_comp_A88
#
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
 A88           N1     N    .         0.000
 A88           N2     N    .         0.000
 A88           C3     C    .         0.000
 A88           O3     O    .         0.000
 A88           N4     N    .         0.000
 A88           C5     C    .         0.000
 A88           C6     C    .         0.000
 A88           O6     O    .         0.000
 A88           C7     C    .         0.000
 A88           C8     C    .         0.000
 A88           C9     C    .         0.000
 A88           C10    C    .         0.000
 A88           C11    C    .         0.000
 A88           C12    C    .         0.000
 A88           C13    C    .         0.000
 A88           C14    C    .         0.000
 A88           C15    C    .         0.000
 A88           C16    C    .         0.000
 A88           C17    C    .         0.000
 A88           C18    C    .         0.000
 A88           C19    C    .         0.000
 A88           C20    C    .         0.000
 A88           C21    C    .         0.000
 A88           C22    C    .         0.000
 A88           C23    C    .         0.000
 A88           C24    C    .         0.000
 A88           C25    C    .         0.000
 A88           C26    C    .         0.000
 A88           C27    C    .         0.000
 A88           C28    C    .         0.000
 A88           O29    O    .         0.000
 A88           O30    O    .         0.000
 A88           C31    C    .         0.000
 A88           C32    C    .         0.000
 A88           C33    C    .         0.000
 A88           C34    C    .         0.000
 A88           C35    C    .         0.000
 A88           C36    C    .         0.000
 A88           C37    C    .         0.000
 A88           C38    C    .         0.000
 A88           O39    O    .         0.000
 A88           O40    O    .         0.000
 A88           C41    C    .         0.000
 A88           H5     H    .         0.000
 A88           H6     H    .         0.000
 A88           HO6    H    .         0.000
 A88           H71    H    .         0.000
 A88           H72    H    .         0.000
 A88           H81    H    .         0.000
 A88           H82    H    .         0.000
 A88           H10    H    .         0.000
 A88           H11    H    .         0.000
 A88           H12    H    .         0.000
 A88           H13    H    .         0.000
 A88           H14    H    .         0.000
 A88           H151   H    .         0.000
 A88           H152   H    .         0.000
 A88           H17    H    .         0.000
 A88           H18    H    .         0.000
 A88           H19    H    .         0.000
 A88           H20    H    .         0.000
 A88           H21    H    .         0.000
 A88           H221   H    .         0.000
 A88           H222   H    .         0.000
 A88           H24    H    .         0.000
 A88           H27    H    .         0.000
 A88           H28    H    .         0.000
 A88           HO9    H    .         0.000
 A88           H311   H    .         0.000
 A88           H312   H    .         0.000
 A88           H313   H    .         0.000
 A88           H321   H    .         0.000
 A88           H322   H    .         0.000
 A88           H34    H    .         0.000
 A88           H35    H    .         0.000
 A88           H38    H    .         0.000
 A88           HO3    H    .         0.000
 A88           H411   H    .         0.000
 A88           H412   H    .         0.000
 A88           H413   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
 A88        N1     N2        single
 A88        N1     C7        single
 A88        N1     C8        single
 A88        N2     C3        single
 A88        N2     C32       single
 A88        C3     N4        single
 A88        C3     O3        double
 A88        N4     C5        single
 A88        N4     C22       single
 A88        C5     C6        single
 A88        C5     C15       single
 A88        C5     H5        single
 A88        C6     C7        single
 A88        C6     O6        single
 A88        C6     H6        single
 A88        O6     HO6       single
 A88        C7     H71       single
 A88        C7     H72       single
 A88        C8     C9        single
 A88        C8     H81       single
 A88        C8     H82       single
 A88        C9     C10       double
 A88        C9     C14       single
 A88        C10    C11       single
 A88        C10    H10       single
 A88        C11    C12       double
 A88        C11    H11       single
 A88        C12    C13       single
 A88        C12    H12       single
 A88        C13    C14       double
 A88        C13    H13       single
 A88        C14    H14       single
 A88        C15    C16       single
 A88        C15    H151      single
 A88        C15    H152      single
 A88        C16    C17       double
 A88        C16    C21       single
 A88        C17    C18       single
 A88        C17    H17       single
 A88        C18    C19       double
 A88        C18    H18       single
 A88        C19    C20       single
 A88        C19    H19       single
 A88        C20    C21       double
 A88        C20    H20       single
 A88        C21    H21       single
 A88        C22    C23       single
 A88        C22    H221      single
 A88        C22    H222      single
 A88        C23    C24       double
 A88        C23    C28       single
 A88        C24    C25       single
 A88        C24    H24       single
 A88        C25    C26       double
 A88        C25    O30       single
 A88        C26    C27       single
 A88        C26    O29       single
 A88        C27    C28       double
 A88        C27    H27       single
 A88        C28    H28       single
 A88        O29    HO9       single
 A88        O30    C31       single
 A88        C31    H311      single
 A88        C31    H312      single
 A88        C31    H313      single
 A88        C32    C33       single
 A88        C32    H321      single
 A88        C32    H322      single
 A88        C33    C34       double
 A88        C33    C38       single
 A88        C34    C35       single
 A88        C34    H34       single
 A88        C35    C36       double
 A88        C35    H35       single
 A88        C36    C37       single
 A88        C36    O39       single
 A88        C37    C38       double
 A88        C37    O40       single
 A88        C38    H38       single
 A88        O39    HO3       single
 A88        O40    C41       single
 A88        C41    H411      single
 A88        C41    H412      single
 A88        C41    H413      single