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
0PY      0PY 'pyridine                            ' non-polymer        11   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_0PY
#
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
 0PY           H1     H    H         0.000      0.003    0.000    0.004
 0PY           C1     C    CR16      0.000     -1.067   -0.169    0.002
 0PY           N1     N    NRD6      0.000     -1.891    0.862    0.001
 0PY           C2     C    CR16      0.000     -1.554   -1.462   -0.001
 0PY           H2     H    H         0.000     -0.873   -2.304   -0.006
 0PY           C3     C    CR16      0.000     -2.924   -1.668    0.001
 0PY           H3     H    H         0.000     -3.334   -2.671    0.004
 0PY           C4     C    CR16      0.000     -3.759   -0.561    0.001
 0PY           H4     H    H         0.000     -4.835   -0.684    0.003
 0PY           C5     C    CR16      0.000     -3.199    0.703   -0.002
 0PY           H5     H    H         0.000     -3.844    1.573   -0.007
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
 0PY      H1     n/a    C1     START
 0PY      C1     H1     C2     .
 0PY      N1     C1     .      .
 0PY      C2     C1     C3     .
 0PY      H2     C2     .      .
 0PY      C3     C2     C4     .
 0PY      H3     C3     .      .
 0PY      C4     C3     C5     .
 0PY      H4     C4     .      .
 0PY      C5     C4     H5     .
 0PY      H5     C5     .      END
 0PY      C5     N1     .    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
 0PY      C5     C4        double      1.390    0.020
 0PY      C5     N1        single      1.337    0.020
 0PY      H5     C5        single      1.083    0.020
 0PY      N1     C1        double      1.337    0.020
 0PY      C4     C3        single      1.390    0.020
 0PY      H4     C4        single      1.083    0.020
 0PY      C3     C2        double      1.390    0.020
 0PY      H3     C3        single      1.083    0.020
 0PY      C2     C1        single      1.390    0.020
 0PY      H2     C2        single      1.083    0.020
 0PY      C1     H1        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
 0PY      H1     C1     N1      120.000    3.000
 0PY      H1     C1     C2      120.000    3.000
 0PY      N1     C1     C2      120.000    3.000
 0PY      C1     N1     C5      120.000    3.000
 0PY      C1     C2     H2      120.000    3.000
 0PY      C1     C2     C3      120.000    3.000
 0PY      H2     C2     C3      120.000    3.000
 0PY      C2     C3     H3      120.000    3.000
 0PY      C2     C3     C4      120.000    3.000
 0PY      H3     C3     C4      120.000    3.000
 0PY      C3     C4     H4      120.000    3.000
 0PY      C3     C4     C5      120.000    3.000
 0PY      H4     C4     C5      120.000    3.000
 0PY      C4     C5     H5      120.000    3.000
 0PY      C4     C5     N1      120.000    3.000
 0PY      H5     C5     N1      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
 0PY      CONST_1  H1     C1     N1     C5       180.000    0.000   0
 0PY      CONST_2  H1     C1     C2     C3       180.000    0.000   0
 0PY      CONST_3  C1     C2     C3     C4         0.000    0.000   0
 0PY      CONST_4  C2     C3     C4     C5         0.000    0.000   0
 0PY      CONST_5  C3     C4     C5     N1         0.000    0.000   0
 0PY      CONST_6  C4     C5     N1     C1         0.000    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
 0PY      plan-1    C5        0.020
 0PY      plan-1    N1        0.020
 0PY      plan-1    C4        0.020
 0PY      plan-1    H5        0.020
 0PY      plan-1    C3        0.020
 0PY      plan-1    C2        0.020
 0PY      plan-1    C1        0.020
 0PY      plan-1    H4        0.020
 0PY      plan-1    H3        0.020
 0PY      plan-1    H2        0.020
 0PY      plan-1    H1        0.020
# ------------------------------------------------------
