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
HMH      HMH '4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRI' non-polymer        19  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_HMH
#
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
 HMH           O1     O    OH1       0.000      0.000    0.000    0.000
 HMH           HO1    H    H         0.000      0.714   -0.001   -0.651
 HMH           C7A    C    CH2       0.000     -1.259    0.000   -0.675
 HMH           HC71   H    H         0.000     -1.335   -0.891   -1.302
 HMH           HC72   H    H         0.000     -1.335    0.891   -1.302
 HMH           C5A    C    CR6       0.000     -2.374    0.000    0.338
 HMH           C6A    C    CR16      0.000     -2.098    0.000    1.691
 HMH           HC6    H    H         0.000     -1.074    0.000    2.042
 HMH           N1A    N    NRD6      0.000     -3.103    0.000    2.555
 HMH           C4A    C    CR6       0.000     -3.709    0.001   -0.066
 HMH           N4A    N    NH2       0.000     -4.037    0.001   -1.412
 HMH           HN42   H    H         0.000     -3.309    0.001   -2.121
 HMH           HN41   H    H         0.000     -5.009    0.001   -1.707
 HMH           N3A    N    NRD6      0.000     -4.661   -0.004    0.861
 HMH           C2A    C    CR6       0.000     -4.354    0.000    2.141
 HMH           CM2    C    CH3       0.000     -5.464    0.000    3.161
 HMH           HCM3   H    H         0.000     -6.310   -0.499    2.763
 HMH           HCM2   H    H         0.000     -5.140   -0.500    4.037
 HMH           HCM1   H    H         0.000     -5.724    0.998    3.401
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
 HMH      O1     n/a    C7A    START
 HMH      HO1    O1     .      .
 HMH      C7A    O1     C5A    .
 HMH      HC71   C7A    .      .
 HMH      HC72   C7A    .      .
 HMH      C5A    C7A    C4A    .
 HMH      C6A    C5A    N1A    .
 HMH      HC6    C6A    .      .
 HMH      N1A    C6A    .      .
 HMH      C4A    C5A    N3A    .
 HMH      N4A    C4A    HN41   .
 HMH      HN42   N4A    .      .
 HMH      HN41   N4A    .      .
 HMH      N3A    C4A    C2A    .
 HMH      C2A    N3A    CM2    .
 HMH      CM2    C2A    HCM1   .
 HMH      HCM3   CM2    .      .
 HMH      HCM2   CM2    .      .
 HMH      HCM1   CM2    .      END
 HMH      N1A    C2A    .    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
 HMH      CM2    C2A       single      1.506    0.020
 HMH      HCM1   CM2       single      1.059    0.020
 HMH      HCM2   CM2       single      1.059    0.020
 HMH      HCM3   CM2       single      1.059    0.020
 HMH      N1A    C2A       double      1.350    0.020
 HMH      N1A    C6A       single      1.337    0.020
 HMH      C2A    N3A       single      1.350    0.020
 HMH      N3A    C4A       double      1.350    0.020
 HMH      N4A    C4A       single      1.355    0.020
 HMH      C4A    C5A       single      1.487    0.020
 HMH      HN41   N4A       single      1.010    0.020
 HMH      HN42   N4A       single      1.010    0.020
 HMH      C6A    C5A       double      1.390    0.020
 HMH      C5A    C7A       single      1.511    0.020
 HMH      HC6    C6A       single      1.083    0.020
 HMH      C7A    O1        single      1.432    0.020
 HMH      HC71   C7A       single      1.092    0.020
 HMH      HC72   C7A       single      1.092    0.020
 HMH      HO1    O1        single      0.967    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
 HMH      HO1    O1     C7A     109.470    3.000
 HMH      O1     C7A    HC71    109.470    3.000
 HMH      O1     C7A    HC72    109.470    3.000
 HMH      O1     C7A    C5A     109.500    3.000
 HMH      HC71   C7A    HC72    107.900    3.000
 HMH      HC71   C7A    C5A     109.470    3.000
 HMH      HC72   C7A    C5A     109.470    3.000
 HMH      C7A    C5A    C6A     120.000    3.000
 HMH      C7A    C5A    C4A     120.000    3.000
 HMH      C6A    C5A    C4A     120.000    3.000
 HMH      C5A    C6A    HC6     120.000    3.000
 HMH      C5A    C6A    N1A     120.000    3.000
 HMH      HC6    C6A    N1A     120.000    3.000
 HMH      C6A    N1A    C2A     120.000    3.000
 HMH      C5A    C4A    N4A     120.000    3.000
 HMH      C5A    C4A    N3A     120.000    3.000
 HMH      N4A    C4A    N3A     120.000    3.000
 HMH      C4A    N4A    HN42    120.000    3.000
 HMH      C4A    N4A    HN41    120.000    3.000
 HMH      HN42   N4A    HN41    120.000    3.000
 HMH      C4A    N3A    C2A     120.000    3.000
 HMH      N3A    C2A    CM2     120.000    3.000
 HMH      N3A    C2A    N1A     120.000    3.000
 HMH      CM2    C2A    N1A     120.000    3.000
 HMH      C2A    CM2    HCM3    109.470    3.000
 HMH      C2A    CM2    HCM2    109.470    3.000
 HMH      C2A    CM2    HCM1    109.470    3.000
 HMH      HCM3   CM2    HCM2    109.470    3.000
 HMH      HCM3   CM2    HCM1    109.470    3.000
 HMH      HCM2   CM2    HCM1    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
 HMH      var_1    HO1    O1     C7A    C5A      179.938   20.000   1
 HMH      var_2    O1     C7A    C5A    C4A      179.952   20.000   2
 HMH      CONST_1  C7A    C5A    C6A    N1A      180.000    0.000   0
 HMH      CONST_2  C5A    C6A    N1A    C2A        0.000    0.000   0
 HMH      CONST_3  C6A    N1A    C2A    N3A        0.000    0.000   0
 HMH      CONST_4  C7A    C5A    C4A    N3A      180.000    0.000   0
 HMH      CONST_5  C5A    C4A    N4A    HN41     179.952    0.000   0
 HMH      CONST_6  C5A    C4A    N3A    C2A        0.000    0.000   0
 HMH      CONST_7  C4A    N3A    C2A    CM2      180.000    0.000   0
 HMH      var_3    N3A    C2A    CM2    HCM1     -90.243   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
 HMH      plan-1    N1A       0.020
 HMH      plan-1    C2A       0.020
 HMH      plan-1    C6A       0.020
 HMH      plan-1    N3A       0.020
 HMH      plan-1    C4A       0.020
 HMH      plan-1    C5A       0.020
 HMH      plan-1    CM2       0.020
 HMH      plan-1    N4A       0.020
 HMH      plan-1    C7A       0.020
 HMH      plan-1    HC6       0.020
 HMH      plan-1    HN42      0.020
 HMH      plan-1    HN41      0.020
 HMH      plan-2    N4A       0.020
 HMH      plan-2    C4A       0.020
 HMH      plan-2    HN41      0.020
 HMH      plan-2    HN42      0.020
# ------------------------------------------------------
