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
ABU      ABU 'GAMMA-AMINO-BUTANOIC ACID           ' non-polymer        15   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ABU
#
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
 ABU           OE2    O    OC       -0.500      0.000    0.000    0.000
 ABU           CD     C    C         0.000     -1.230    0.228    0.005
 ABU           OE1    O    OC       -0.500     -1.647    1.407    0.025
 ABU           CG     C    CH2       0.000     -2.209   -0.918   -0.013
 ABU           HG1    H    H         0.000     -2.052   -1.544    0.868
 ABU           HG2    H    H         0.000     -2.054   -1.515   -0.914
 ABU           CB     C    CH2       0.000     -3.637   -0.369   -0.003
 ABU           HB1    H    H         0.000     -3.791    0.258   -0.883
 ABU           HB2    H    H         0.000     -3.790    0.228    0.899
 ABU           CA     C    CH2       0.000     -4.631   -1.532   -0.022
 ABU           HA1    H    H         0.000     -4.473   -2.158    0.859
 ABU           HA2    H    H         0.000     -4.475   -2.128   -0.923
 ABU           N      N    NH2       0.000     -6.002   -1.005   -0.011
 ABU           HN2    H    H         0.000     -6.654   -1.290    0.710
 ABU           H      H    H         0.000     -6.305   -0.353   -0.725
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
 ABU      OE2    n/a    CD     START
 ABU      CD     OE2    CG     .
 ABU      OE1    CD     .      .
 ABU      CG     CD     CB     .
 ABU      HG1    CG     .      .
 ABU      HG2    CG     .      .
 ABU      CB     CG     CA     .
 ABU      HB1    CB     .      .
 ABU      HB2    CB     .      .
 ABU      CA     CB     N      .
 ABU      HA1    CA     .      .
 ABU      HA2    CA     .      .
 ABU      N      CA     H      .
 ABU      HN2    N      .      .
 ABU      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
 ABU      N      CA        single      1.450    0.020
 ABU      H      N         single      1.010    0.020
 ABU      HN2    N         single      1.010    0.020
 ABU      CA     CB        single      1.524    0.020
 ABU      HA1    CA        single      1.092    0.020
 ABU      HA2    CA        single      1.092    0.020
 ABU      CB     CG        single      1.524    0.020
 ABU      HB1    CB        single      1.092    0.020
 ABU      HB2    CB        single      1.092    0.020
 ABU      CG     CD        single      1.510    0.020
 ABU      HG1    CG        single      1.092    0.020
 ABU      HG2    CG        single      1.092    0.020
 ABU      OE1    CD        deloc       1.250    0.020
 ABU      CD     OE2       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
 ABU      OE2    CD     OE1     123.000    3.000
 ABU      OE2    CD     CG      118.500    3.000
 ABU      OE1    CD     CG      118.500    3.000
 ABU      CD     CG     HG1     109.470    3.000
 ABU      CD     CG     HG2     109.470    3.000
 ABU      CD     CG     CB      109.470    3.000
 ABU      HG1    CG     HG2     107.900    3.000
 ABU      HG1    CG     CB      109.470    3.000
 ABU      HG2    CG     CB      109.470    3.000
 ABU      CG     CB     HB1     109.470    3.000
 ABU      CG     CB     HB2     109.470    3.000
 ABU      CG     CB     CA      111.000    3.000
 ABU      HB1    CB     HB2     107.900    3.000
 ABU      HB1    CB     CA      109.470    3.000
 ABU      HB2    CB     CA      109.470    3.000
 ABU      CB     CA     HA1     109.470    3.000
 ABU      CB     CA     HA2     109.470    3.000
 ABU      CB     CA     N       109.470    3.000
 ABU      HA1    CA     HA2     107.900    3.000
 ABU      HA1    CA     N       109.470    3.000
 ABU      HA2    CA     N       109.470    3.000
 ABU      CA     N      HN2     120.000    3.000
 ABU      CA     N      H       120.000    3.000
 ABU      HN2    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
 ABU      var_1    OE2    CD     CG     CB      -179.990   20.000   3
 ABU      var_2    CD     CG     CB     CA       179.963   20.000   3
 ABU      var_3    CG     CB     CA     N        179.963   20.000   3
 ABU      var_4    CB     CA     N      H         56.032   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
 ABU      plan-1    N         0.020
 ABU      plan-1    CA        0.020
 ABU      plan-1    H         0.020
 ABU      plan-1    HN2       0.020
 ABU      plan-2    CD        0.020
 ABU      plan-2    CG        0.020
 ABU      plan-2    OE1       0.020
 ABU      plan-2    OE2       0.020
# ------------------------------------------------------
