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
5AC      5AC '5-amino-1H-imidazole-4-carboxamide  ' non-polymer        15   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_5AC
#
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
 5AC           OAC    O    O         0.000      0.000    0.000    0.000
 5AC           CAG    C    C         0.000     -0.804    0.915   -0.001
 5AC           NAA    N    NH2       0.000     -0.373    2.191   -0.002
 5AC           HNAB   H    H         0.000     -1.039    2.954   -0.003
 5AC           HNAA   H    H         0.000      0.619    2.395   -0.002
 5AC           CAI    C    CR5       0.000     -2.241    0.627   -0.001
 5AC           NAE    N    NRD5      0.000     -3.247    1.543    0.004
 5AC           CAD    C    CR15      0.000     -4.389    0.922   -0.001
 5AC           HAD    H    H         0.000     -5.361    1.401   -0.004
 5AC           NAF    N    NR15      0.000     -4.176   -0.425   -0.001
 5AC           HNAF   H    H         0.000     -4.909   -1.162    0.000
 5AC           CAH    C    CR5       0.000     -2.828   -0.630   -0.001
 5AC           NAB    N    NH2       0.000     -2.177   -1.847    0.000
 5AC           HNAD   H    H         0.000     -2.706   -2.713    0.000
 5AC           HNAC   H    H         0.000     -1.163   -1.888    0.001
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
 5AC      OAC    n/a    CAG    START
 5AC      CAG    OAC    CAI    .
 5AC      NAA    CAG    HNAA   .
 5AC      HNAB   NAA    .      .
 5AC      HNAA   NAA    .      .
 5AC      CAI    CAG    NAE    .
 5AC      NAE    CAI    CAD    .
 5AC      CAD    NAE    NAF    .
 5AC      HAD    CAD    .      .
 5AC      NAF    CAD    CAH    .
 5AC      HNAF   NAF    .      .
 5AC      CAH    NAF    NAB    .
 5AC      NAB    CAH    HNAC   .
 5AC      HNAD   NAB    .      .
 5AC      HNAC   NAB    .      END
 5AC      CAI    CAH    .    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
 5AC      NAA    CAG       single      1.332    0.020
 5AC      CAG    OAC       double      1.220    0.020
 5AC      CAI    CAG       single      1.490    0.020
 5AC      CAI    CAH       double      1.490    0.020
 5AC      NAE    CAI       single      1.350    0.020
 5AC      NAB    CAH       single      1.355    0.020
 5AC      CAH    NAF       single      1.340    0.020
 5AC      NAF    CAD       single      1.350    0.020
 5AC      CAD    NAE       double      1.350    0.020
 5AC      HNAA   NAA       single      1.010    0.020
 5AC      HNAB   NAA       single      1.010    0.020
 5AC      HNAC   NAB       single      1.010    0.020
 5AC      HNAD   NAB       single      1.010    0.020
 5AC      HNAF   NAF       single      1.040    0.020
 5AC      HAD    CAD       single      1.083    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
 5AC      OAC    CAG    NAA     123.000    3.000
 5AC      OAC    CAG    CAI     120.500    3.000
 5AC      NAA    CAG    CAI     120.000    3.000
 5AC      CAG    NAA    HNAB    120.000    3.000
 5AC      CAG    NAA    HNAA    120.000    3.000
 5AC      HNAB   NAA    HNAA    120.000    3.000
 5AC      CAG    CAI    NAE     126.000    3.000
 5AC      CAG    CAI    CAH     117.000    3.000
 5AC      NAE    CAI    CAH     108.000    3.000
 5AC      CAI    NAE    CAD     108.000    3.000
 5AC      NAE    CAD    HAD     126.000    3.000
 5AC      NAE    CAD    NAF     108.000    3.000
 5AC      HAD    CAD    NAF     126.000    3.000
 5AC      CAD    NAF    HNAF    126.000    3.000
 5AC      CAD    NAF    CAH     108.000    3.000
 5AC      HNAF   NAF    CAH     126.000    3.000
 5AC      NAF    CAH    NAB     108.000    3.000
 5AC      NAF    CAH    CAI     108.000    3.000
 5AC      NAB    CAH    CAI     108.000    3.000
 5AC      CAH    NAB    HNAD    120.000    3.000
 5AC      CAH    NAB    HNAC    120.000    3.000
 5AC      HNAD   NAB    HNAC    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
 5AC      CONST_1  OAC    CAG    NAA    HNAA       0.000    0.000   0
 5AC      var_1    OAC    CAG    CAI    NAE      179.678   20.000   1
 5AC      CONST_2  CAG    CAI    CAH    NAF      180.000    0.000   0
 5AC      CONST_3  CAG    CAI    NAE    CAD      180.000    0.000   0
 5AC      CONST_4  CAI    NAE    CAD    NAF        0.000    0.000   0
 5AC      CONST_5  NAE    CAD    NAF    CAH        0.000    0.000   0
 5AC      CONST_6  CAD    NAF    CAH    NAB      180.000    0.000   0
 5AC      CONST_7  NAF    CAH    NAB    HNAC    -179.925    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
 5AC      plan-1    NAA       0.020
 5AC      plan-1    CAG       0.020
 5AC      plan-1    HNAA      0.020
 5AC      plan-1    HNAB      0.020
 5AC      plan-2    CAG       0.020
 5AC      plan-2    NAA       0.020
 5AC      plan-2    OAC       0.020
 5AC      plan-2    CAI       0.020
 5AC      plan-2    HNAB      0.020
 5AC      plan-2    HNAA      0.020
 5AC      plan-3    CAI       0.020
 5AC      plan-3    CAG       0.020
 5AC      plan-3    CAH       0.020
 5AC      plan-3    NAE       0.020
 5AC      plan-3    NAF       0.020
 5AC      plan-3    CAD       0.020
 5AC      plan-3    NAB       0.020
 5AC      plan-3    HNAF      0.020
 5AC      plan-3    HAD       0.020
 5AC      plan-3    HNAD      0.020
 5AC      plan-3    HNAC      0.020
 5AC      plan-4    NAB       0.020
 5AC      plan-4    CAH       0.020
 5AC      plan-4    HNAC      0.020
 5AC      plan-4    HNAD      0.020
# ------------------------------------------------------
