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
DOZ      DOZ "(dimethylamino)(hydroxy)zinc'       " non-polymer        12   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DOZ
#
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
 DOZ           O4     O    OH1       0.000      0.000    0.000    0.000
 DOZ           H4     H    H         0.000      0.388    0.832    0.003
 DOZ           ZN     ZN   ZN        0.000     -1.700    0.024   -0.013
 DOZ           N2     N    NT        0.000     -3.489    0.049   -0.027
 DOZ           C8     C    CH3       0.000     -4.027    0.002    1.338
 DOZ           H83    H    H         0.000     -5.085    0.018    1.302
 DOZ           H82    H    H         0.000     -3.704   -0.887    1.814
 DOZ           H81    H    H         0.000     -3.680    0.840    1.884
 DOZ           C6     C    CH3       0.000     -4.025   -1.050   -0.842
 DOZ           H63    H    H         0.000     -5.083   -1.013   -0.834
 DOZ           H62    H    H         0.000     -3.676   -0.955   -1.838
 DOZ           H61    H    H         0.000     -3.701   -1.976   -0.442
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
 DOZ      O4     n/a    ZN     START
 DOZ      H4     O4     .      .
 DOZ      ZN     O4     N2     .
 DOZ      N2     ZN     C6     .
 DOZ      C8     N2     H81    .
 DOZ      H83    C8     .      .
 DOZ      H82    C8     .      .
 DOZ      H81    C8     .      .
 DOZ      C6     N2     H61    .
 DOZ      H63    C6     .      .
 DOZ      H62    C6     .      .
 DOZ      H61    C6     .      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
 DOZ      N2     ZN        single      2.160    0.020
 DOZ      ZN     O4        single      2.184    0.020
 DOZ      C6     N2        single      1.469    0.020
 DOZ      C8     N2        single      1.469    0.020
 DOZ      H4     O4        single      0.967    0.020
 DOZ      H61    C6        single      1.059    0.020
 DOZ      H62    C6        single      1.059    0.020
 DOZ      H63    C6        single      1.059    0.020
 DOZ      H81    C8        single      1.059    0.020
 DOZ      H82    C8        single      1.059    0.020
 DOZ      H83    C8        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
 DOZ      H4     O4     ZN      120.000    3.000
 DOZ      O4     ZN     N2      180.000    3.000
 DOZ      ZN     N2     C8      109.500    3.000
 DOZ      ZN     N2     C6      109.500    3.000
 DOZ      C8     N2     C6      109.470    3.000
 DOZ      N2     C8     H83     109.470    3.000
 DOZ      N2     C8     H82     109.470    3.000
 DOZ      N2     C8     H81     109.470    3.000
 DOZ      H83    C8     H82     109.470    3.000
 DOZ      H83    C8     H81     109.470    3.000
 DOZ      H82    C8     H81     109.470    3.000
 DOZ      N2     C6     H63     109.470    3.000
 DOZ      N2     C6     H62     109.470    3.000
 DOZ      N2     C6     H61     109.470    3.000
 DOZ      H63    C6     H62     109.470    3.000
 DOZ      H63    C6     H61     109.470    3.000
 DOZ      H62    C6     H61     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
 DOZ      var_1    H4     O4     ZN     N2       180.000   20.000   1
 DOZ      var_2    C8     N2     ZN     O4       180.000   20.000   1
 DOZ      var_3    ZN     N2     C8     H81       59.996   20.000   1
 DOZ      var_4    ZN     N2     C6     H61       60.000   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
 DOZ      chir_01  N2     ZN     C6     C8        negativ
 DOZ      chir_02  ZN     O4     N2     .         cross0
# ------------------------------------------------------
