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
DHA      DHA '2-AMINO-ACRYLIC ACID                ' non-polymer        10   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DHA
#
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
 DHA           OXT    O    OC       -0.500      0.000    0.000    0.000
 DHA           C      C    C         0.000     -1.226    0.250    0.000
 DHA           O      O    OC       -0.500     -2.056   -0.686    0.000
 DHA           CA     C    C         0.000     -1.692    1.650    0.000
 DHA           CB     C    C2        0.000     -3.001    1.916    0.000
 DHA           HB2    H    H         0.000     -3.721    1.111    0.000
 DHA           HB1    H    H         0.000     -3.349    2.939    0.000
 DHA           N      N    NH2       0.000     -0.764    2.696    0.000
 DHA           H2     H    H         0.000      0.242    2.512    0.000
 DHA           H      H    H         0.000     -1.066    3.673    0.000
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
 DHA      OXT    n/a    C      START
 DHA      C      OXT    CA     .
 DHA      O      C      .      .
 DHA      CA     C      N      .
 DHA      CB     CA     HB1    .
 DHA      HB2    CB     .      .
 DHA      HB1    CB     .      .
 DHA      N      CA     H      .
 DHA      H2     N      .      .
 DHA      H      N      .      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
 DHA      N      CA        single      1.332    0.020
 DHA      H      N         single      1.010    0.020
 DHA      H2     N         single      1.010    0.020
 DHA      CB     CA        double      1.320    0.020
 DHA      CA     C         single      1.460    0.020
 DHA      HB1    CB        single      1.077    0.020
 DHA      HB2    CB        single      1.077    0.020
 DHA      O      C         deloc       1.250    0.020
 DHA      C      OXT       deloc       1.250    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
 DHA      OXT    C      O       123.000    3.000
 DHA      OXT    C      CA      120.000    3.000
 DHA      O      C      CA      120.000    3.000
 DHA      C      CA     CB      120.000    3.000
 DHA      C      CA     N       120.000    3.000
 DHA      CB     CA     N       120.000    3.000
 DHA      CA     CB     HB2     120.000    3.000
 DHA      CA     CB     HB1     120.000    3.000
 DHA      HB2    CB     HB1     120.000    3.000
 DHA      CA     N      H2      120.000    3.000
 DHA      CA     N      H       120.000    3.000
 DHA      H2     N      H       120.000    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
 DHA      var_1    OXT    C      CA     N          0.000   20.000   1
 DHA      CONST_1  C      CA     CB     HB1      180.000    0.000   0
 DHA      CONST_2  C      CA     N      H        180.000    0.000   0
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
 DHA      plan-1    N         0.020
 DHA      plan-1    CA        0.020
 DHA      plan-1    H         0.020
 DHA      plan-1    H2        0.020
 DHA      plan-2    CA        0.020
 DHA      plan-2    N         0.020
 DHA      plan-2    CB        0.020
 DHA      plan-2    C         0.020
 DHA      plan-2    HB1       0.020
 DHA      plan-2    HB2       0.020
 DHA      plan-2    H2        0.020
 DHA      plan-2    H         0.020
 DHA      plan-3    C         0.020
 DHA      plan-3    CA        0.020
 DHA      plan-3    O         0.020
 DHA      plan-3    OXT       0.020
# ------------------------------------------------------
