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
TZA      TZA 'TRANS-AMICLENOMYCIN                 ' non-polymer        29  14 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TZA
#
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
 TZA           O2     O    OC       -0.500      0.000    0.000    0.000
 TZA           C      C    C         0.000     -0.779    0.015   -0.978
 TZA           O      O    OC       -0.500     -0.490   -0.616   -2.019
 TZA           CA     C    CH1       0.000     -2.067    0.794   -0.905
 TZA           HCA    H    H         0.000     -1.936    1.657   -0.238
 TZA           N      N    NH2       0.000     -2.432    1.264   -2.247
 TZA           HN2    H    H         0.000     -2.524    2.256   -2.433
 TZA           HN1    H    H         0.000     -2.595    0.601   -2.995
 TZA           CB     C    CH2       0.000     -3.177   -0.105   -0.361
 TZA           HCB1   H    H         0.000     -2.904   -0.455    0.637
 TZA           HCB2   H    H         0.000     -3.307   -0.964   -1.023
 TZA           CX     C    CH2       0.000     -4.484    0.685   -0.286
 TZA           HCX1   H    H         0.000     -4.754    1.035   -1.284
 TZA           HCX2   H    H         0.000     -4.351    1.543    0.377
 TZA           CG     C    CH1       0.000     -5.595   -0.214    0.259
 TZA           HCG    H    H         0.000     -5.323   -0.551    1.269
 TZA           CD2    C    C1        0.000     -6.871    0.568    0.330
 TZA           HD22   H    H         0.000     -7.015    1.244    1.155
 TZA           CE2    C    C1        0.000     -7.811    0.465   -0.561
 TZA           HE22   H    H         0.000     -8.700    1.061   -0.443
 TZA           CD1    C    C1        0.000     -5.741   -1.409   -0.634
 TZA           HD11   H    H         0.000     -5.035   -2.216   -0.534
 TZA           CE1    C    C1        0.000     -6.680   -1.512   -1.524
 TZA           HE11   H    H         0.000     -6.721   -2.403   -2.129
 TZA           CZ     C    CH1       0.000     -7.711   -0.447   -1.745
 TZA           HCZ    H    H         0.000     -8.687   -0.921   -1.918
 TZA           NH     N    NH2       0.000     -7.341    0.340   -2.930
 TZA           HNH2   H    H         0.000     -7.198    1.340   -2.855
 TZA           HNH1   H    H         0.000     -7.227   -0.113   -3.829
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
 TZA      O2     n/a    C      START
 TZA      C      O2     CA     .
 TZA      O      C      .      .
 TZA      CA     C      CB     .
 TZA      HCA    CA     .      .
 TZA      N      CA     HN1    .
 TZA      HN2    N      .      .
 TZA      HN1    N      .      .
 TZA      CB     CA     CX     .
 TZA      HCB1   CB     .      .
 TZA      HCB2   CB     .      .
 TZA      CX     CB     CG     .
 TZA      HCX1   CX     .      .
 TZA      HCX2   CX     .      .
 TZA      CG     CX     CD1    .
 TZA      HCG    CG     .      .
 TZA      CD2    CG     CE2    .
 TZA      HD22   CD2    .      .
 TZA      CE2    CD2    HE22   .
 TZA      HE22   CE2    .      .
 TZA      CD1    CG     CE1    .
 TZA      HD11   CD1    .      .
 TZA      CE1    CD1    CZ     .
 TZA      HE11   CE1    .      .
 TZA      CZ     CE1    NH     .
 TZA      HCZ    CZ     .      .
 TZA      NH     CZ     HNH1   .
 TZA      HNH2   NH     .      .
 TZA      HNH1   NH     .      END
 TZA      CZ     CE2    .    ADD
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
 TZA      NH     CZ        single      1.450    0.020
 TZA      HNH1   NH        single      1.010    0.020
 TZA      HNH2   NH        single      1.010    0.020
 TZA      CZ     CE2       single      1.510    0.020
 TZA      CZ     CE1       single      1.510    0.020
 TZA      HCZ    CZ        single      1.099    0.020
 TZA      CE2    CD2       double      1.330    0.020
 TZA      HE22   CE2       single      1.077    0.020
 TZA      CD2    CG        single      1.510    0.020
 TZA      HD22   CD2       single      1.077    0.020
 TZA      CE1    CD1       double      1.330    0.020
 TZA      HE11   CE1       single      1.077    0.020
 TZA      CD1    CG        single      1.510    0.020
 TZA      HD11   CD1       single      1.077    0.020
 TZA      CG     CX        single      1.524    0.020
 TZA      HCG    CG        single      1.099    0.020
 TZA      CX     CB        single      1.524    0.020
 TZA      HCX1   CX        single      1.092    0.020
 TZA      HCX2   CX        single      1.092    0.020
 TZA      CB     CA        single      1.524    0.020
 TZA      HCB1   CB        single      1.092    0.020
 TZA      HCB2   CB        single      1.092    0.020
 TZA      N      CA        single      1.450    0.020
 TZA      CA     C         single      1.500    0.020
 TZA      HCA    CA        single      1.099    0.020
 TZA      HN1    N         single      1.010    0.020
 TZA      HN2    N         single      1.010    0.020
 TZA      O      C         deloc       1.250    0.020
 TZA      C      O2        deloc       1.250    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
 TZA      O2     C      O       123.000    3.000
 TZA      O2     C      CA      118.500    3.000
 TZA      O      C      CA      118.500    3.000
 TZA      C      CA     HCA     108.810    3.000
 TZA      C      CA     N       109.470    3.000
 TZA      C      CA     CB      109.470    3.000
 TZA      HCA    CA     N       109.470    3.000
 TZA      HCA    CA     CB      108.340    3.000
 TZA      N      CA     CB      109.470    3.000
 TZA      CA     N      HN2     120.000    3.000
 TZA      CA     N      HN1     120.000    3.000
 TZA      HN2    N      HN1     120.000    3.000
 TZA      CA     CB     HCB1    109.470    3.000
 TZA      CA     CB     HCB2    109.470    3.000
 TZA      CA     CB     CX      111.000    3.000
 TZA      HCB1   CB     HCB2    107.900    3.000
 TZA      HCB1   CB     CX      109.470    3.000
 TZA      HCB2   CB     CX      109.470    3.000
 TZA      CB     CX     HCX1    109.470    3.000
 TZA      CB     CX     HCX2    109.470    3.000
 TZA      CB     CX     CG      111.000    3.000
 TZA      HCX1   CX     HCX2    107.900    3.000
 TZA      HCX1   CX     CG      109.470    3.000
 TZA      HCX2   CX     CG      109.470    3.000
 TZA      CX     CG     HCG     108.340    3.000
 TZA      CX     CG     CD2     109.470    3.000
 TZA      CX     CG     CD1     109.470    3.000
 TZA      HCG    CG     CD2     108.810    3.000
 TZA      HCG    CG     CD1     108.810    3.000
 TZA      CD2    CG     CD1     109.500    3.000
 TZA      CG     CD2    HD22    120.000    3.000
 TZA      CG     CD2    CE2     120.000    3.000
 TZA      HD22   CD2    CE2     120.000    3.000
 TZA      CD2    CE2    HE22    120.000    3.000
 TZA      CD2    CE2    CZ      120.000    3.000
 TZA      HE22   CE2    CZ      120.000    3.000
 TZA      CG     CD1    HD11    120.000    3.000
 TZA      CG     CD1    CE1     120.000    3.000
 TZA      HD11   CD1    CE1     120.000    3.000
 TZA      CD1    CE1    HE11    120.000    3.000
 TZA      CD1    CE1    CZ      120.000    3.000
 TZA      HE11   CE1    CZ      120.000    3.000
 TZA      CE1    CZ     HCZ     108.810    3.000
 TZA      CE1    CZ     NH      109.470    3.000
 TZA      CE1    CZ     CE2     109.500    3.000
 TZA      HCZ    CZ     NH      109.470    3.000
 TZA      HCZ    CZ     CE2     108.810    3.000
 TZA      NH     CZ     CE2     109.470    3.000
 TZA      CZ     NH     HNH2    120.000    3.000
 TZA      CZ     NH     HNH1    120.000    3.000
 TZA      HNH2   NH     HNH1    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
 TZA      var_1    O2     C      CA     CB       -89.927   20.000   3
 TZA      var_2    C      CA     N      HN1       60.099   20.000   1
 TZA      var_3    C      CA     CB     CX       179.942   20.000   3
 TZA      var_4    CA     CB     CX     CG       179.989   20.000   3
 TZA      var_5    CB     CX     CG     CD1      -58.318   20.000   3
 TZA      var_6    CX     CG     CD2    CE2       90.000   20.000   1
 TZA      var_7    CG     CD2    CE2    CZ         0.000   20.000   1
 TZA      var_8    CX     CG     CD1    CE1      -90.000   20.000   1
 TZA      var_9    CG     CD1    CE1    CZ         0.000   20.000   1
 TZA      var_10   CD1    CE1    CZ     NH        90.000   20.000   1
 TZA      var_11   CE1    CZ     CE2    CD2       30.000   20.000   1
 TZA      var_12   CE1    CZ     NH     HNH1      58.288   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
 TZA      chir_01  CZ     NH     CE2    CE1       positiv
 TZA      chir_02  CG     CD2    CD1    CX        negativ
 TZA      chir_03  CA     CB     N      C         positiv
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
 TZA      plan-1    NH        0.020
 TZA      plan-1    CZ        0.020
 TZA      plan-1    HNH1      0.020
 TZA      plan-1    HNH2      0.020
 TZA      plan-2    CE2       0.020
 TZA      plan-2    CZ        0.020
 TZA      plan-2    CD2       0.020
 TZA      plan-2    HE22      0.020
 TZA      plan-2    HD22      0.020
 TZA      plan-3    CD2       0.020
 TZA      plan-3    CE2       0.020
 TZA      plan-3    CG        0.020
 TZA      plan-3    HD22      0.020
 TZA      plan-3    HE22      0.020
 TZA      plan-4    CE1       0.020
 TZA      plan-4    CZ        0.020
 TZA      plan-4    CD1       0.020
 TZA      plan-4    HE11      0.020
 TZA      plan-4    HD11      0.020
 TZA      plan-5    CD1       0.020
 TZA      plan-5    CE1       0.020
 TZA      plan-5    CG        0.020
 TZA      plan-5    HD11      0.020
 TZA      plan-5    HE11      0.020
 TZA      plan-6    N         0.020
 TZA      plan-6    CA        0.020
 TZA      plan-6    HN1       0.020
 TZA      plan-6    HN2       0.020
 TZA      plan-7    C         0.020
 TZA      plan-7    CA        0.020
 TZA      plan-7    O         0.020
 TZA      plan-7    O2        0.020
# ------------------------------------------------------
