global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
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
GOA      GOA 'GLYCOLIC ACID                       ' non-polymer         8   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GOA
#
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
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 GOA           O12    O    OC       -0.500      0.000    0.000    0.000
 GOA           C1     C    C         0.000     -1.203    0.000    0.343
 GOA           O11    O    OC       -0.500     -2.101    0.000   -0.528
 GOA           C2     C    CH2       0.000     -1.570    0.000    1.803
 GOA           H22    H    H         0.000     -1.158    0.891    2.281
 GOA           H21    H    H         0.000     -1.158   -0.891    2.281
 GOA           O2     O    OH1       0.000     -2.992    0.000    1.937
 GOA           H2     H    H         0.000     -3.227    0.000    2.875
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 GOA      O12    n/a    C1     START
 GOA      C1     O12    C2     .
 GOA      O11    C1     .      .
 GOA      C2     C1     O2     .
 GOA      H22    C2     .      .
 GOA      H21    C2     .      .
 GOA      O2     C2     H2     .
 GOA      H2     O2     .      END
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 GOA      C2     C1        single      1.510    0.020
 GOA      O11    C1        deloc       1.250    0.020
 GOA      C1     O12       deloc       1.250    0.020
 GOA      O2     C2        single      1.432    0.020
 GOA      H22    C2        single      1.092    0.020
 GOA      H21    C2        single      1.092    0.020
 GOA      H2     O2        single      0.967    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 GOA      O12    C1     O11     123.000    3.000
 GOA      O12    C1     C2      118.500    3.000
 GOA      O11    C1     C2      118.500    3.000
 GOA      C1     C2     H22     109.470    3.000
 GOA      C1     C2     H21     109.470    3.000
 GOA      C1     C2     O2      109.500    3.000
 GOA      H22    C2     H21     107.900    3.000
 GOA      H22    C2     O2      109.470    3.000
 GOA      H21    C2     O2      109.470    3.000
 GOA      C2     O2     H2      109.470    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 GOA      var_1    O12    C1     C2     O2       180.000   20.000   3
 GOA      var_2    C1     C2     O2     H2       180.000   20.000   1
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 GOA      plan-1    C1        0.020
 GOA      plan-1    C2        0.000
 GOA      plan-1    O11       0.000
 GOA      plan-1    O12       0.000
# ------------------------------------------------------
