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
1AC      1AC '1-AMINOCYCLOPROPANECARBOXYLIC ACID  ' non-polymer        13   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_1AC
#
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
 1AC           O      O    OC       -0.500      0.000    0.000    0.000
 1AC           C      C    C         0.000     -0.667   -0.003   -1.058
 1AC           OXT    O    OC       -0.500     -0.084   -0.036   -2.164
 1AC           CA     C    CT        0.000     -2.172    0.035   -0.999
 1AC           N      N    NH2       0.000     -2.854    0.131   -2.296
 1AC           H2     H    H         0.000     -3.715    0.653   -2.379
 1AC           H      H    H         0.000     -2.463   -0.325   -3.109
 1AC           CG     C    CH2       0.000     -2.815    0.750    0.191
 1AC           HG2    H    H         0.000     -3.833    1.143    0.211
 1AC           HG1    H    H         0.000     -2.293    1.048    1.102
 1AC           CB     C    CH2       0.000     -2.857   -0.776    0.101
 1AC           HB2    H    H         0.000     -2.355   -1.207    0.970
 1AC           HB1    H    H         0.000     -3.896   -1.112    0.079
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
 1AC      O      n/a    C      START
 1AC      C      O      CA     .
 1AC      OXT    C      .      .
 1AC      CA     C      CB     .
 1AC      N      CA     H      .
 1AC      H2     N      .      .
 1AC      H      N      .      .
 1AC      CG     CA     HG1    .
 1AC      HG2    CG     .      .
 1AC      HG1    CG     .      .
 1AC      CB     CA     HB1    .
 1AC      HB2    CB     .      .
 1AC      HB1    CB     .      END
 1AC      CB     CG     .    ADD
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
 1AC      CB     CG        single      1.524    0.020
 1AC      CB     CA        single      1.524    0.020
 1AC      HB1    CB        single      1.092    0.020
 1AC      HB2    CB        single      1.092    0.020
 1AC      CG     CA        single      1.524    0.020
 1AC      HG1    CG        single      1.092    0.020
 1AC      HG2    CG        single      1.092    0.020
 1AC      CA     C         single      1.507    0.020
 1AC      N      CA        single      1.462    0.020
 1AC      OXT    C         deloc       1.250    0.020
 1AC      C      O         deloc       1.250    0.020
 1AC      H      N         single      1.010    0.020
 1AC      H2     N         single      1.010    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
 1AC      O      C      OXT     123.000    3.000
 1AC      O      C      CA      118.500    3.000
 1AC      OXT    C      CA      118.500    3.000
 1AC      C      CA     N       109.500    3.000
 1AC      C      CA     CG      109.470    3.000
 1AC      C      CA     CB      109.470    3.000
 1AC      N      CA     CG      109.500    3.000
 1AC      N      CA     CB      109.500    3.000
 1AC      CG     CA     CB       60.000    3.000
 1AC      CA     N      H2      120.000    3.000
 1AC      CA     N      H       120.000    3.000
 1AC      H2     N      H       120.000    3.000
 1AC      CA     CG     HG2     109.470    3.000
 1AC      CA     CG     HG1     109.470    3.000
 1AC      CA     CG     CB       60.000    3.000
 1AC      HG2    CG     HG1     107.900    3.000
 1AC      HG2    CG     CB      109.470    3.000
 1AC      HG1    CG     CB      109.470    3.000
 1AC      CA     CB     HB2     109.470    3.000
 1AC      CA     CB     HB1     109.470    3.000
 1AC      CA     CB     CG       60.000    3.000
 1AC      HB2    CB     HB1     107.900    3.000
 1AC      HB2    CB     CG      109.470    3.000
 1AC      HB1    CB     CG      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
 1AC      var_1    O      C      CA     CB       -38.723   20.000   1
 1AC      var_2    C      CA     N      H         34.266   20.000   1
 1AC      var_3    C      CA     CG     CB      -107.561   20.000   1
 1AC      var_4    C      CA     CB     CG       107.530   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 1AC      chir_01  CA     CB     CG     C         negativ
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
 1AC      plan-1    C         0.020
 1AC      plan-1    CA        0.020
 1AC      plan-1    OXT       0.020
 1AC      plan-1    O         0.020
 1AC      plan-2    N         0.020
 1AC      plan-2    CA        0.020
 1AC      plan-2    H         0.020
 1AC      plan-2    H2        0.020
# ------------------------------------------------------
