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
P1R      P1R 'PYRIMIDINE                          ' non-polymer        10   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_P1R
#
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
 P1R           H2     H    H         0.000      0.002    0.002    0.000
 P1R           C2     C    CR16      0.000     -0.997   -0.416    0.000
 P1R           N1     N    NRD6      0.000     -1.144   -1.727    0.000
 P1R           C6     C    CR16      0.000     -2.350   -2.273    0.000
 P1R           H6     H    H         0.000     -2.464   -3.350    0.000
 P1R           N3     N    NRD6      0.000     -2.032    0.398    0.000
 P1R           C4     C    CR16      0.000     -3.268   -0.076    0.000
 P1R           H4     H    H         0.000     -4.115    0.599    0.000
 P1R           C5     C    CR16      0.000     -3.463   -1.449    0.000
 P1R           H5     H    H         0.000     -4.462   -1.867    0.000
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
 P1R      H2     n/a    C2     START
 P1R      C2     H2     N3     .
 P1R      N1     C2     C6     .
 P1R      C6     N1     H6     .
 P1R      H6     C6     .      .
 P1R      N3     C2     C4     .
 P1R      C4     N3     C5     .
 P1R      H4     C4     .      .
 P1R      C5     C4     H5     .
 P1R      H5     C5     .      END
 P1R      C5     C6     .    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
 P1R      C5     C6        single      1.390    0.020
 P1R      C5     C4        double      1.390    0.020
 P1R      H5     C5        single      1.083    0.020
 P1R      C6     N1        double      1.337    0.020
 P1R      H6     C6        single      1.083    0.020
 P1R      N1     C2        single      1.337    0.020
 P1R      C4     N3        single      1.337    0.020
 P1R      H4     C4        single      1.083    0.020
 P1R      N3     C2        double      1.337    0.020
 P1R      C2     H2        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
 P1R      H2     C2     N1      120.000    3.000
 P1R      H2     C2     N3      120.000    3.000
 P1R      N1     C2     N3      120.000    3.000
 P1R      C2     N1     C6      120.000    3.000
 P1R      N1     C6     H6      120.000    3.000
 P1R      N1     C6     C5      120.000    3.000
 P1R      H6     C6     C5      120.000    3.000
 P1R      C2     N3     C4      120.000    3.000
 P1R      N3     C4     H4      120.000    3.000
 P1R      N3     C4     C5      120.000    3.000
 P1R      H4     C4     C5      120.000    3.000
 P1R      C4     C5     H5      120.000    3.000
 P1R      C4     C5     C6      120.000    3.000
 P1R      H5     C5     C6      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
 P1R      CONST_1  H2     C2     N1     C6       180.000    0.000   0
 P1R      CONST_2  C2     N1     C6     C5         0.000    0.000   0
 P1R      CONST_3  H2     C2     N3     C4       180.000    0.000   0
 P1R      CONST_4  C2     N3     C4     C5         0.000    0.000   0
 P1R      CONST_5  N3     C4     C5     C6         0.000    0.000   0
 P1R      CONST_6  C4     C5     C6     N1         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
 P1R      plan-1    C5        0.020
 P1R      plan-1    C6        0.020
 P1R      plan-1    C4        0.020
 P1R      plan-1    H5        0.020
 P1R      plan-1    N1        0.020
 P1R      plan-1    N3        0.020
 P1R      plan-1    C2        0.020
 P1R      plan-1    H6        0.020
 P1R      plan-1    H4        0.020
 P1R      plan-1    H2        0.020
# ------------------------------------------------------
