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
HPA      HPA 'HYPOXANTHINE                        ' non-polymer        14  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_HPA
#
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
 HPA           O6     O    O         0.000      0.000    0.000    0.000
 HPA           C6     C    CR6       0.000     -0.949    0.000   -0.766
 HPA           N1     N    NR16      0.000     -0.759   -0.001   -2.104
 HPA           HN1    H    H         0.000      0.207   -0.001   -2.490
 HPA           C5     C    CR56      0.000     -2.270   -0.005   -0.280
 HPA           N7     N    NR15      0.000     -2.844    0.001    0.972
 HPA           HN7    H    H         0.000     -2.341    0.004    1.883
 HPA           C8     C    CR15      0.000     -4.182    0.001    0.796
 HPA           H8     H    H         0.000     -4.915    0.002    1.593
 HPA           N9     N    NRD5      0.000     -4.462    0.002   -0.480
 HPA           C4     C    CR56      0.000     -3.325    0.001   -1.195
 HPA           N3     N    NRD6      0.000     -3.051    0.001   -2.515
 HPA           C2     C    CR16      0.000     -1.823    0.000   -2.947
 HPA           H2     H    H         0.000     -1.645    0.000   -4.015
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
 HPA      O6     n/a    C6     START
 HPA      C6     O6     C5     .
 HPA      N1     C6     HN1    .
 HPA      HN1    N1     .      .
 HPA      C5     C6     N7     .
 HPA      N7     C5     C8     .
 HPA      HN7    N7     .      .
 HPA      C8     N7     N9     .
 HPA      H8     C8     .      .
 HPA      N9     C8     C4     .
 HPA      C4     N9     N3     .
 HPA      N3     C4     C2     .
 HPA      C2     N3     H2     .
 HPA      H2     C2     .      END
 HPA      N1     C2     .    ADD
 HPA      C4     C5     .    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
 HPA      N1     C2        single      1.337    0.020
 HPA      N1     C6        single      1.337    0.020
 HPA      HN1    N1        single      1.040    0.020
 HPA      C2     N3        double      1.337    0.020
 HPA      H2     C2        single      1.083    0.020
 HPA      N3     C4        single      1.355    0.020
 HPA      C4     C5        double      1.490    0.020
 HPA      C4     N9        single      1.350    0.020
 HPA      C5     C6        single      1.490    0.020
 HPA      N7     C5        single      1.340    0.020
 HPA      C6     O6        double      1.250    0.020
 HPA      C8     N7        single      1.350    0.020
 HPA      HN7    N7        single      1.040    0.020
 HPA      N9     C8        double      1.350    0.020
 HPA      H8     C8        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
 HPA      O6     C6     N1      120.000    3.000
 HPA      O6     C6     C5      120.000    3.000
 HPA      N1     C6     C5      120.000    3.000
 HPA      C6     N1     HN1     120.000    3.000
 HPA      C6     N1     C2      120.000    3.000
 HPA      HN1    N1     C2      120.000    3.000
 HPA      C6     C5     N7      132.000    3.000
 HPA      C6     C5     C4      120.000    3.000
 HPA      N7     C5     C4      108.000    3.000
 HPA      C5     N7     HN7     126.000    3.000
 HPA      C5     N7     C8      108.000    3.000
 HPA      HN7    N7     C8      126.000    3.000
 HPA      N7     C8     H8      126.000    3.000
 HPA      N7     C8     N9      108.000    3.000
 HPA      H8     C8     N9      126.000    3.000
 HPA      C8     N9     C4      108.000    3.000
 HPA      N9     C4     N3      120.000    3.000
 HPA      N9     C4     C5      108.000    3.000
 HPA      N3     C4     C5      120.000    3.000
 HPA      C4     N3     C2      120.000    3.000
 HPA      N3     C2     H2      120.000    3.000
 HPA      N3     C2     N1      120.000    3.000
 HPA      H2     C2     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
 HPA      CONST_1  O6     C6     N1     C2       180.000    0.000   0
 HPA      CONST_2  C6     N1     C2     N3         0.000    0.000   0
 HPA      CONST_3  O6     C6     C5     N7         0.000    0.000   0
 HPA      CONST_4  C6     C5     N7     C8       180.000    0.000   0
 HPA      CONST_5  C5     N7     C8     N9         0.000    0.000   0
 HPA      CONST_6  N7     C8     N9     C4         0.000    0.000   0
 HPA      CONST_7  C8     N9     C4     N3       180.000    0.000   0
 HPA      CONST_8  N9     C4     C5     C6       180.000    0.000   0
 HPA      CONST_9  N9     C4     N3     C2       180.000    0.000   0
 HPA      CONST_10 C4     N3     C2     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
 HPA      plan-1    N1        0.020
 HPA      plan-1    C2        0.020
 HPA      plan-1    C6        0.020
 HPA      plan-1    HN1       0.020
 HPA      plan-1    N3        0.020
 HPA      plan-1    H2        0.020
 HPA      plan-1    C4        0.020
 HPA      plan-1    C5        0.020
 HPA      plan-1    N9        0.020
 HPA      plan-1    N7        0.020
 HPA      plan-1    C8        0.020
 HPA      plan-1    O6        0.020
 HPA      plan-1    HN7       0.020
 HPA      plan-1    H8        0.020
# ------------------------------------------------------
