#
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
AL7      AL7 '(S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-' non-polymer        42  25 M
#
data_comp_AL7
#
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
 AL7           C3     C    .         0.000
 AL7           C9     C    .         0.000
 AL7           C10    C    .         0.000
 AL7           C16    C    .         0.000
 AL7           C19    C    .         0.000
 AL7           C20    C    .         0.000
 AL7           C21    C    .         0.000
 AL7           C22    C    .         0.000
 AL7           C24    C    .         0.000
 AL7           N21    N    .         0.000
 AL7           S1     S    .         0.000
 AL7           O1A    O    .         0.000
 AL7           O2A    O    .         0.000
 AL7           S2     S    .         0.000
 AL7           C6     C    .         0.000
 AL7           C5     C    .         0.000
 AL7           C4     C    .         0.000
 AL7           N8     N    .         0.000
 AL7           S7     S    .         0.000
 AL7           O3B    O    .         0.000
 AL7           O4B    O    .         0.000
 AL7           N15    N    .         0.000
 AL7           C17    C    .         0.000
 AL7           C18    C    .         0.000
 AL7           O23    O    .         0.000
 AL7           H91    H    .         0.000
 AL7           H92    H    .         0.000
 AL7           H10    H    .         0.000
 AL7           H161   H    .         0.000
 AL7           H162   H    .         0.000
 AL7           H163   H    .         0.000
 AL7           H241   H    .         0.000
 AL7           H242   H    .         0.000
 AL7           H243   H    .         0.000
 AL7           HNL1   H    .         0.000
 AL7           HNL2   H    .         0.000
 AL7           H4     H    .         0.000
 AL7           HNF    H    .         0.000
 AL7           H19    H    .         0.000
 AL7           H20    H    .         0.000
 AL7           H22    H    .         0.000
 AL7           H18    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
 AL7        C3     S1        single
 AL7        C3     S2        single
 AL7        C3     C4        double
 AL7        C9     C10       single
 AL7        C9     N8        single
 AL7        C9     H91       single
 AL7        C9     H92       single
 AL7        C10    C5        single
 AL7        C10    N15       single
 AL7        C10    H10       single
 AL7        C16    N15       single
 AL7        C16    H161      single
 AL7        C16    H162      single
 AL7        C16    H163      single
 AL7        C19    C20       double
 AL7        C19    C18       single
 AL7        C19    H19       single
 AL7        C20    C21       single
 AL7        C20    H20       single
 AL7        C21    C22       double
 AL7        C21    O23       single
 AL7        C22    C17       single
 AL7        C22    H22       single
 AL7        C24    O23       single
 AL7        C24    H241      single
 AL7        C24    H242      single
 AL7        C24    H243      single
 AL7        N21    S1        single
 AL7        N21    HNL1      single
 AL7        N21    HNL2      single
 AL7        S1     O1A       double
 AL7        S1     O2A       double
 AL7        S2     C6        single
 AL7        C6     C5        double
 AL7        C6     S7        single
 AL7        C5     C4        single
 AL7        C4     H4        single
 AL7        N8     S7        single
 AL7        N8     C17       single
 AL7        S7     O3B       double
 AL7        S7     O4B       double
 AL7        N15    HNF       single
 AL7        C17    C18       double
 AL7        C18    H18       single