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
MH6      MH6 '3-hydroxy-2-iminopropanoic acid     ' non-polymer        11   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MH6
#
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
 MH6           OXT    O    OC       -0.500      0.000    0.000    0.000
 MH6           C      C    C         0.000     -1.080   -0.631    0.000
 MH6           O      O    OC       -0.500     -1.074   -1.882    0.000
 MH6           CA     C    C         0.000     -2.367    0.105    0.000
 MH6           N      N    N         0.000     -2.373    1.386    0.000
 MH6           HN     H    H         0.000     -1.550    1.874    0.000
 MH6           CB     C    CH2       0.000     -3.669   -0.654    0.000
 MH6           HB2    H    H         0.000     -3.722   -1.282    0.891
 MH6           HB3    H    H         0.000     -3.722   -1.282   -0.891
 MH6           OG     O    OH1       0.000     -4.759    0.270    0.000
 MH6           HG     H    H         0.000     -5.593   -0.218    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
 MH6      OXT    n/a    C      START
 MH6      C      OXT    CA     .
 MH6      O      C      .      .
 MH6      CA     C      CB     .
 MH6      N      CA     HN     .
 MH6      HN     N      .      .
 MH6      CB     CA     OG     .
 MH6      HB2    CB     .      .
 MH6      HB3    CB     .      .
 MH6      OG     CB     HG     .
 MH6      HG     OG     .      END
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
 MH6      N      CA        double      1.260    0.020
 MH6      CA     C         single      1.460    0.020
 MH6      CB     CA        single      1.510    0.020
 MH6      O      C         deloc       1.250    0.020
 MH6      C      OXT       deloc       1.250    0.020
 MH6      OG     CB        single      1.432    0.020
 MH6      HN     N         single      0.954    0.020
 MH6      HB2    CB        single      1.092    0.020
 MH6      HB3    CB        single      1.092    0.020
 MH6      HG     OG        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
 MH6      OXT    C      O       123.000    3.000
 MH6      OXT    C      CA      120.000    3.000
 MH6      O      C      CA      120.000    3.000
 MH6      C      CA     N       116.500    3.000
 MH6      C      CA     CB      120.000    3.000
 MH6      N      CA     CB      116.500    3.000
 MH6      CA     N      HN      120.000    3.000
 MH6      CA     CB     HB2     109.470    3.000
 MH6      CA     CB     HB3     109.470    3.000
 MH6      CA     CB     OG      109.500    3.000
 MH6      HB2    CB     HB3     107.900    3.000
 MH6      HB2    CB     OG      109.470    3.000
 MH6      HB3    CB     OG      109.470    3.000
 MH6      CB     OG     HG      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
 MH6      var_1    OXT    C      CA     CB       180.000   20.000   1
 MH6      CONST_1  C      CA     N      HN         0.000    0.000   0
 MH6      var_2    C      CA     CB     OG       180.000   20.000   3
 MH6      var_3    CA     CB     OG     HG       180.000   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
 MH6      plan-1    N         0.020
 MH6      plan-1    CA        0.020
 MH6      plan-1    HN        0.020
 MH6      plan-1    C         0.020
 MH6      plan-1    CB        0.020
 MH6      plan-2    C         0.020
 MH6      plan-2    CA        0.020
 MH6      plan-2    O         0.020
 MH6      plan-2    OXT       0.020
# ------------------------------------------------------
