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
DHL      DHL '2-AMINO-ETHANETHIOL                 ' non-polymer        11   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DHL
#
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
 DHL           SG     S    SH1       0.000      0.000    0.000    0.000
 DHL           HS     H    H         0.000     -0.102   -0.043   -1.325
 DHL           CB     C    CH2       0.000     -1.782   -0.040    0.329
 DHL           HB2    H    H         0.000     -2.207   -0.957   -0.086
 DHL           HB3    H    H         0.000     -2.257    0.824   -0.141
 DHL           CA     C    CH2       0.000     -2.025   -0.001    1.838
 DHL           HA2    H    H         0.000     -1.599    0.916    2.250
 DHL           HA3    H    H         0.000     -1.548   -0.865    2.304
 DHL           N      N    NH2       0.000     -3.470   -0.034    2.104
 DHL           HN2    H    H         0.000     -3.886   -0.833    2.569
 DHL           HN1    H    H         0.000     -4.059    0.741    1.825
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
 DHL      SG     n/a    CB     START
 DHL      HS     SG     .      .
 DHL      CB     SG     CA     .
 DHL      HB2    CB     .      .
 DHL      HB3    CB     .      .
 DHL      CA     CB     N      .
 DHL      HA2    CA     .      .
 DHL      HA3    CA     .      .
 DHL      N      CA     HN1    .
 DHL      HN2    N      .      .
 DHL      HN1    N      .      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
 DHL      N      CA        single      1.450    0.020
 DHL      HN1    N         single      1.010    0.020
 DHL      HN2    N         single      1.010    0.020
 DHL      CA     CB        single      1.524    0.020
 DHL      HA2    CA        single      1.092    0.020
 DHL      HA3    CA        single      1.092    0.020
 DHL      CB     SG        single      1.810    0.020
 DHL      HB2    CB        single      1.092    0.020
 DHL      HB3    CB        single      1.092    0.020
 DHL      HS     SG        single      1.330    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
 DHL      HS     SG     CB       96.000    3.000
 DHL      SG     CB     HB2     109.470    3.000
 DHL      SG     CB     HB3     109.470    3.000
 DHL      SG     CB     CA      109.470    3.000
 DHL      HB2    CB     HB3     107.900    3.000
 DHL      HB2    CB     CA      109.470    3.000
 DHL      HB3    CB     CA      109.470    3.000
 DHL      CB     CA     HA2     109.470    3.000
 DHL      CB     CA     HA3     109.470    3.000
 DHL      CB     CA     N       109.470    3.000
 DHL      HA2    CA     HA3     107.900    3.000
 DHL      HA2    CA     N       109.470    3.000
 DHL      HA3    CA     N       109.470    3.000
 DHL      CA     N      HN2     120.000    3.000
 DHL      CA     N      HN1     120.000    3.000
 DHL      HN2    N      HN1     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
 DHL      var_1    HS     SG     CB     CA      -179.977   20.000   1
 DHL      var_2    SG     CB     CA     N       -179.973   20.000   3
 DHL      var_3    CB     CA     N      HN1      -66.169   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
 DHL      plan-1    N         0.020
 DHL      plan-1    CA        0.000
 DHL      plan-1    HN1       0.000
 DHL      plan-1    HN2       0.000
# ------------------------------------------------------
