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
TEE      TEE '2-AMINO-ETHENETHIOL                 ' non-polymer         9   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TEE
#
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
 TEE           SG     S    SH1       0.000      0.000    0.000    0.000
 TEE           HS     H    H         0.000     -0.454    1.249    0.107
 TEE           CB     C    C1        0.000     -1.321   -1.112    0.045
 TEE           HB2    H    H         0.000     -2.324   -0.732   -0.047
 TEE           CA     C    C1        0.000     -1.140   -2.430    0.192
 TEE           HA     H    H         0.000     -0.120   -2.766    0.282
 TEE           N      N    NH2       0.000     -2.098   -3.391    0.240
 TEE           HN2    H    H         0.000     -2.190   -3.986    1.057
 TEE           HN1    H    H         0.000     -2.732   -3.525   -0.541
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
 TEE      SG     n/a    CB     START
 TEE      HS     SG     .      .
 TEE      CB     SG     CA     .
 TEE      HB2    CB     .      .
 TEE      CA     CB     N      .
 TEE      HA     CA     .      .
 TEE      N      CA     HN1    .
 TEE      HN2    N      .      .
 TEE      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
 TEE      N      CA        single      1.332    0.020
 TEE      HN1    N         single      1.010    0.020
 TEE      HN2    N         single      1.010    0.020
 TEE      CA     CB        double      1.330    0.020
 TEE      CB     SG        single      1.690    0.020
 TEE      HB2    CB        single      1.077    0.020
 TEE      HA     CA        single      1.077    0.020
 TEE      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
 TEE      HS     SG     CB      109.500    3.000
 TEE      SG     CB     HB2     120.000    3.000
 TEE      SG     CB     CA      120.000    3.000
 TEE      HB2    CB     CA      120.000    3.000
 TEE      CB     CA     HA      120.000    3.000
 TEE      CB     CA     N       120.000    3.000
 TEE      HA     CA     N       120.000    3.000
 TEE      CA     N      HN2     120.000    3.000
 TEE      CA     N      HN1     120.000    3.000
 TEE      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
 TEE      var_1    HS     SG     CB     CA      -168.057   20.000   1
 TEE      CONST_1  SG     CB     CA     N       -179.953    0.000   0
 TEE      CONST_2  CB     CA     N      HN1       59.738    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
 TEE      plan-1    N         0.020
 TEE      plan-1    CA        0.020
 TEE      plan-1    HN1       0.020
 TEE      plan-1    HN2       0.020
 TEE      plan-1    HA        0.020
 TEE      plan-2    CB        0.020
 TEE      plan-2    CA        0.020
 TEE      plan-2    SG        0.020
 TEE      plan-2    HB2       0.020
 TEE      plan-2    N         0.020
 TEE      plan-2    HA        0.020
 TEE      plan-2    HN2       0.020
 TEE      plan-2    HN1       0.020
# ------------------------------------------------------
