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
MTD      MTD '[METHYLTELLURO]ACETATE              ' non-polymer        11   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MTD
#
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
 MTD           O6     O    OC       -0.500      0.000    0.000    0.000
 MTD           C1     C    C         0.000     -0.195    0.948   -0.792
 MTD           O5     O    OC       -0.500     -1.331    1.155   -1.273
 MTD           C2     C    CH2       0.000      0.947    1.882   -1.186
 MTD           H21    H    H         0.000      1.006    2.770   -0.553
 MTD           H22    H    H         0.000      0.905    2.185   -2.234
 MTD           TE3    TE   TE        0.000      2.626    0.691   -0.873
 MTD           C4     C    CH3       0.000      3.790    2.097   -1.810
 MTD           H43    H    H         0.000      3.781    3.155   -1.457
 MTD           H42    H    H         0.000      3.531    2.440   -2.840
 MTD           H41    H    H         0.000      4.689    1.459   -1.642
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
 MTD      O6     n/a    C1     START
 MTD      C1     O6     C2     .
 MTD      O5     C1     .      .
 MTD      C2     C1     TE3    .
 MTD      H21    C2     .      .
 MTD      H22    C2     .      .
 MTD      TE3    C2     C4     .
 MTD      C4     TE3    H41    .
 MTD      H43    C4     .      .
 MTD      H42    C4     .      .
 MTD      H41    C4     .      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
 MTD      O5     C1        deloc       1.250    0.020
 MTD      C1     O6        deloc       1.250    0.020
 MTD      C2     C1        single      1.510    0.020
 MTD      TE3    C2        single      2.062    0.020
 MTD      H21    C2        single      1.092    0.020
 MTD      H22    C2        single      1.092    0.020
 MTD      C4     TE3       single      2.062    0.020
 MTD      H41    C4        single      1.059    0.020
 MTD      H42    C4        single      1.059    0.020
 MTD      H43    C4        single      1.059    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
 MTD      O6     C1     O5      123.000    3.000
 MTD      O6     C1     C2      118.500    3.000
 MTD      O5     C1     C2      118.500    3.000
 MTD      C1     C2     H21     109.470    3.000
 MTD      C1     C2     H22     109.470    3.000
 MTD      C1     C2     TE3     109.500    3.000
 MTD      H21    C2     H22     107.900    3.000
 MTD      H21    C2     TE3     109.500    3.000
 MTD      H22    C2     TE3     109.500    3.000
 MTD      C2     TE3    C4       90.000    3.000
 MTD      TE3    C4     H43     109.500    3.000
 MTD      TE3    C4     H42     109.500    3.000
 MTD      TE3    C4     H41     109.500    3.000
 MTD      H43    C4     H42     109.470    3.000
 MTD      H43    C4     H41     109.470    3.000
 MTD      H42    C4     H41     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
 MTD      var_1    O6     C1     C2     TE3       24.535   20.000   3
 MTD      var_2    C1     C2     TE3    C4         0.000   20.000   1
 MTD      var_3    H43    C4     TE3    C2         0.000   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 MTD      chir_01  TE3    C2     .      C4        cross1
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
 MTD      plan-1    C1        0.020
 MTD      plan-1    O5        0.000
 MTD      plan-1    O6        0.000
 MTD      plan-1    C2        0.000
# ------------------------------------------------------
