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
NAK      NAK 'AMINO-ACRYLATE                      ' non-polymer        11   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NAK
#
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
 NAK           OAD    O    OC       -0.500      0.000    0.000    0.000
 NAK           CAF    C    C         0.000     -1.237   -0.187    0.000
 NAK           OAC    O    OC       -0.500     -2.016    0.792    0.000
 NAK           CAG    C    C         0.000     -1.779   -1.566    0.000
 NAK           NAB    N    NH2       1.000     -0.981   -2.567    0.000
 NAK           HAB2   H    H         0.000     -1.363   -3.492    0.000
 NAK           HAB1   H    H         0.000      0.005   -2.402    0.000
 NAK           CAE    C    CH3       0.000     -3.269   -1.790    0.000
 NAK           HAE3   H    H         0.000     -3.749   -0.988   -0.499
 NAK           HAE2   H    H         0.000     -3.492   -2.698   -0.499
 NAK           HAE1   H    H         0.000     -3.620   -1.843    0.998
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
 NAK      OAD    n/a    CAF    START
 NAK      CAF    OAD    CAG    .
 NAK      OAC    CAF    .      .
 NAK      CAG    CAF    CAE    .
 NAK      NAB    CAG    HAB1   .
 NAK      HAB2   NAB    .      .
 NAK      HAB1   NAB    .      .
 NAK      CAE    CAG    HAE1   .
 NAK      HAE3   CAE    .      .
 NAK      HAE2   CAE    .      .
 NAK      HAE1   CAE    .      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
 NAK      OAC    CAF       deloc       1.250    0.020
 NAK      CAF    OAD       deloc       1.250    0.020
 NAK      CAG    CAF       single      1.460    0.020
 NAK      CAE    CAG       single      1.500    0.020
 NAK      NAB    CAG       double      1.332    0.020
 NAK      HAE1   CAE       single      1.059    0.020
 NAK      HAE2   CAE       single      1.059    0.020
 NAK      HAE3   CAE       single      1.059    0.020
 NAK      HAB1   NAB       single      1.010    0.020
 NAK      HAB2   NAB       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
 NAK      OAD    CAF    OAC     123.000    3.000
 NAK      OAD    CAF    CAG     120.000    3.000
 NAK      OAC    CAF    CAG     120.000    3.000
 NAK      CAF    CAG    NAB     120.000    3.000
 NAK      CAF    CAG    CAE     120.000    3.000
 NAK      NAB    CAG    CAE     120.000    3.000
 NAK      CAG    NAB    HAB2    120.000    3.000
 NAK      CAG    NAB    HAB1    120.000    3.000
 NAK      HAB2   NAB    HAB1    120.000    3.000
 NAK      CAG    CAE    HAE3    109.470    3.000
 NAK      CAG    CAE    HAE2    109.470    3.000
 NAK      CAG    CAE    HAE1    109.470    3.000
 NAK      HAE3   CAE    HAE2    109.470    3.000
 NAK      HAE3   CAE    HAE1    109.470    3.000
 NAK      HAE2   CAE    HAE1    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
 NAK      var_1    OAD    CAF    CAG    CAE      180.000   20.000   1
 NAK      CONST_1  CAF    CAG    NAB    HAB1       0.000    0.000   0
 NAK      var_2    CAF    CAG    CAE    HAE1     -90.004   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
 NAK      plan-1    CAF       0.020
 NAK      plan-1    OAC       0.020
 NAK      plan-1    OAD       0.020
 NAK      plan-1    CAG       0.020
 NAK      plan-2    CAG       0.020
 NAK      plan-2    CAF       0.020
 NAK      plan-2    CAE       0.020
 NAK      plan-2    NAB       0.020
 NAK      plan-2    HAB1      0.020
 NAK      plan-2    HAB2      0.020
# ------------------------------------------------------
