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
DNA      DNA '1,4-dihydroxy-2-naphthoic acid      ' non-polymer        22  15 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DNA
#
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
 DNA           O1B    O    OC       -0.500      0.000    0.000    0.000
 DNA           C1J    C    C         0.000     -1.057    0.668    0.010
 DNA           O1A    O    OC       -0.500     -1.006    1.918    0.032
 DNA           C1L    C    CR6       0.000     -2.361   -0.015   -0.004
 DNA           C1I    C    CR16      0.000     -2.413   -1.422   -0.029
 DNA           H1I    H    H         0.000     -1.491   -1.990   -0.052
 DNA           C1M    C    CR6       0.000     -3.535    0.734    0.007
 DNA           O1D    O    OH1       0.000     -3.482    2.088    0.020
 DNA           HO1D   H    H         0.000     -3.473    2.418   -0.889
 DNA           C1O    C    CR66      0.000     -4.779    0.070    0.005
 DNA           C1H    C    CR16      0.000     -5.985    0.790    0.017
 DNA           H1H    H    H         0.000     -5.972    1.873    0.028
 DNA           C1F    C    CR16      0.000     -7.171    0.120    0.015
 DNA           H1F    H    H         0.000     -8.099    0.677    0.023
 DNA           C1N    C    CR66      0.000     -4.814   -1.346   -0.014
 DNA           C1G    C    CR16      0.000     -6.054   -2.002   -0.009
 DNA           H1G    H    H         0.000     -6.096   -3.084   -0.014
 DNA           C1E    C    CR16      0.000     -7.205   -1.272    0.002
 DNA           H1E    H    H         0.000     -8.160   -1.783    0.000
 DNA           C1K    C    CR6       0.000     -3.605   -2.076   -0.025
 DNA           O1C    O    OH1       0.000     -3.633   -3.435   -0.032
 DNA           HO1C   H    H         0.000     -3.635   -3.761    0.878
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
 DNA      O1B    n/a    C1J    START
 DNA      C1J    O1B    C1L    .
 DNA      O1A    C1J    .      .
 DNA      C1L    C1J    C1M    .
 DNA      C1I    C1L    H1I    .
 DNA      H1I    C1I    .      .
 DNA      C1M    C1L    C1O    .
 DNA      O1D    C1M    HO1D   .
 DNA      HO1D   O1D    .      .
 DNA      C1O    C1M    C1N    .
 DNA      C1H    C1O    C1F    .
 DNA      H1H    C1H    .      .
 DNA      C1F    C1H    H1F    .
 DNA      H1F    C1F    .      .
 DNA      C1N    C1O    C1K    .
 DNA      C1G    C1N    C1E    .
 DNA      H1G    C1G    .      .
 DNA      C1E    C1G    H1E    .
 DNA      H1E    C1E    .      .
 DNA      C1K    C1N    O1C    .
 DNA      O1C    C1K    HO1C   .
 DNA      HO1C   O1C    .      END
 DNA      C1E    C1F    .    ADD
 DNA      C1I    C1K    .    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
 DNA      O1A    C1J       deloc       1.250    0.020
 DNA      C1J    O1B       deloc       1.250    0.020
 DNA      O1C    C1K       single      1.362    0.020
 DNA      HO1C   O1C       single      0.967    0.020
 DNA      O1D    C1M       single      1.362    0.020
 DNA      HO1D   O1D       single      0.967    0.020
 DNA      C1E    C1F       double      1.390    0.020
 DNA      C1E    C1G       single      1.390    0.020
 DNA      H1E    C1E       single      1.083    0.020
 DNA      C1F    C1H       single      1.390    0.020
 DNA      H1F    C1F       single      1.083    0.020
 DNA      C1G    C1N       double      1.390    0.020
 DNA      H1G    C1G       single      1.083    0.020
 DNA      C1H    C1O       double      1.390    0.020
 DNA      H1H    C1H       single      1.083    0.020
 DNA      C1I    C1L       single      1.390    0.020
 DNA      C1I    C1K       double      1.390    0.020
 DNA      H1I    C1I       single      1.083    0.020
 DNA      C1L    C1J       single      1.500    0.020
 DNA      C1K    C1N       single      1.490    0.020
 DNA      C1M    C1L       double      1.487    0.020
 DNA      C1O    C1M       single      1.490    0.020
 DNA      C1N    C1O       single      1.490    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
 DNA      O1B    C1J    O1A     123.000    3.000
 DNA      O1B    C1J    C1L     120.000    3.000
 DNA      O1A    C1J    C1L     120.000    3.000
 DNA      C1J    C1L    C1I     120.000    3.000
 DNA      C1J    C1L    C1M     120.000    3.000
 DNA      C1I    C1L    C1M     120.000    3.000
 DNA      C1L    C1I    H1I     120.000    3.000
 DNA      C1L    C1I    C1K     120.000    3.000
 DNA      H1I    C1I    C1K     120.000    3.000
 DNA      C1L    C1M    O1D     120.000    3.000
 DNA      C1L    C1M    C1O     120.000    3.000
 DNA      O1D    C1M    C1O     120.000    3.000
 DNA      C1M    O1D    HO1D    109.470    3.000
 DNA      C1M    C1O    C1H     120.000    3.000
 DNA      C1M    C1O    C1N     120.000    3.000
 DNA      C1H    C1O    C1N     120.000    3.000
 DNA      C1O    C1H    H1H     120.000    3.000
 DNA      C1O    C1H    C1F     120.000    3.000
 DNA      H1H    C1H    C1F     120.000    3.000
 DNA      C1H    C1F    H1F     120.000    3.000
 DNA      C1H    C1F    C1E     120.000    3.000
 DNA      H1F    C1F    C1E     120.000    3.000
 DNA      C1O    C1N    C1G     120.000    3.000
 DNA      C1O    C1N    C1K     120.000    3.000
 DNA      C1G    C1N    C1K     120.000    3.000
 DNA      C1N    C1G    H1G     120.000    3.000
 DNA      C1N    C1G    C1E     120.000    3.000
 DNA      H1G    C1G    C1E     120.000    3.000
 DNA      C1G    C1E    H1E     120.000    3.000
 DNA      C1G    C1E    C1F     120.000    3.000
 DNA      H1E    C1E    C1F     120.000    3.000
 DNA      C1N    C1K    O1C     120.000    3.000
 DNA      C1N    C1K    C1I     120.000    3.000
 DNA      O1C    C1K    C1I     120.000    3.000
 DNA      C1K    O1C    HO1C    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
 DNA      var_1    O1B    C1J    C1L    C1M     -179.979   20.000   1
 DNA      CONST_1  C1J    C1L    C1I    C1K      180.000    0.000   0
 DNA      CONST_2  C1L    C1I    C1K    C1N        0.000    0.000   0
 DNA      CONST_3  C1J    C1L    C1M    C1O      180.000    0.000   0
 DNA      var_2    C1L    C1M    O1D    HO1D      90.067   20.000   1
 DNA      CONST_4  C1L    C1M    C1O    C1N        0.000    0.000   0
 DNA      CONST_5  C1M    C1O    C1H    C1F      180.000    0.000   0
 DNA      CONST_6  C1O    C1H    C1F    C1E        0.000    0.000   0
 DNA      CONST_7  C1M    C1O    C1N    C1K        0.000    0.000   0
 DNA      CONST_8  C1O    C1N    C1G    C1E        0.000    0.000   0
 DNA      CONST_9  C1N    C1G    C1E    C1F        0.000    0.000   0
 DNA      CONST_10 C1G    C1E    C1F    C1H        0.000    0.000   0
 DNA      CONST_11 C1O    C1N    C1K    O1C      180.000    0.000   0
 DNA      var_3    C1N    C1K    O1C    HO1C     -89.996   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
 DNA      plan-1    C1E       0.020
 DNA      plan-1    C1F       0.020
 DNA      plan-1    C1G       0.020
 DNA      plan-1    H1E       0.020
 DNA      plan-1    C1H       0.020
 DNA      plan-1    H1F       0.020
 DNA      plan-1    C1N       0.020
 DNA      plan-1    H1G       0.020
 DNA      plan-1    C1O       0.020
 DNA      plan-1    H1H       0.020
 DNA      plan-1    C1I       0.020
 DNA      plan-1    C1K       0.020
 DNA      plan-1    C1L       0.020
 DNA      plan-1    H1I       0.020
 DNA      plan-1    C1M       0.020
 DNA      plan-1    O1C       0.020
 DNA      plan-1    C1J       0.020
 DNA      plan-1    O1D       0.020
 DNA      plan-2    C1J       0.020
 DNA      plan-2    O1A       0.020
 DNA      plan-2    O1B       0.020
 DNA      plan-2    C1L       0.020
# ------------------------------------------------------
