#
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
BP       BP  '(-)-7S,8R,9R-TRIHYDROXY-7,8,9,10-TET' non-polymer        39  23 M
#
data_comp_BP
#
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
 BP            C10    C    .         0.000
 BP            C9     C    .         0.000
 BP            C8     C    .         0.000
 BP            C7     C    .         0.000
 BP            C6A    C    .         0.000
 BP            C6     C    .         0.000
 BP            C5A    C    .         0.000
 BP            C5     C    .         0.000
 BP            C4     C    .         0.000
 BP            C3A    C    .         0.000
 BP            C3     C    .         0.000
 BP            C2     C    .         0.000
 BP            C1     C    .         0.000
 BP            C2A    C    .         0.000
 BP            C2B    C    .         0.000
 BP            C2C    C    .         0.000
 BP            C12    C    .         0.000
 BP            C11    C    .         0.000
 BP            C1B    C    .         0.000
 BP            C1A    C    .         0.000
 BP            O9     O    .         0.000
 BP            O8     O    .         0.000
 BP            O7     O    .         0.000
 BP            H101   H    .         0.000
 BP            H102   H    .         0.000
 BP            H9     H    .         0.000
 BP            H8     H    .         0.000
 BP            H7     H    .         0.000
 BP            H6     H    .         0.000
 BP            H5     H    .         0.000
 BP            H4     H    .         0.000
 BP            H3     H    .         0.000
 BP            H2     H    .         0.000
 BP            H1     H    .         0.000
 BP            H12    H    .         0.000
 BP            H11    H    .         0.000
 BP            HO9    H    .         0.000
 BP            HO8    H    .         0.000
 BP            HO7    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
 BP         C10    C9        single
 BP         C10    C1A       single
 BP         C10    H101      single
 BP         C10    H102      single
 BP         C9     C8        single
 BP         C9     H9        single
 BP         C9     O9        single
 BP         C8     C7        single
 BP         C8     H8        single
 BP         C8     O8        single
 BP         C7     C6A       single
 BP         C7     H7        single
 BP         C7     O7        single
 BP         C6A    C6        double
 BP         C6A    C1A       single
 BP         C6     C5A       single
 BP         C6     H6        single
 BP         C5A    C5        double
 BP         C5A    C2C       single
 BP         C5     C4        single
 BP         C5     H5        single
 BP         C4     C3A       double
 BP         C4     H4        single
 BP         C3A    C3        single
 BP         C3A    C2B       single
 BP         C3     C2        double
 BP         C3     H3        single
 BP         C2     C1        single
 BP         C2     H2        single
 BP         C1     C2A       double
 BP         C1     H1        single
 BP         C2A    C2B       single
 BP         C2A    C12       single
 BP         C2B    C2C       double
 BP         C2C    C1B       single
 BP         C12    C11       double
 BP         C12    H12       single
 BP         C11    C1B       single
 BP         C11    H11       single
 BP         C1B    C1A       double
 BP         O9     HO9       single
 BP         O8     HO8       single
 BP         O7     HO7       single