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
DBZ      DBZ '3-(BENZOYLAMINO)-L-ALANINE          ' non-polymer        26  15 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DBZ
#
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
 DBZ           O      O    OC       -0.500      0.000    0.000    0.000
 DBZ           C      C    C         0.000     -0.758    0.930    0.354
 DBZ           O1     O    OC       -0.500     -0.632    2.104   -0.062
 DBZ           CA     C    CH1       0.000     -1.851    0.446    1.284
 DBZ           HA     H    H         0.000     -1.488   -0.428    1.844
 DBZ           N      N    NH2       0.000     -2.128    1.518    2.209
 DBZ           HN2    H    H         0.000     -2.675    2.310    1.909
 DBZ           HN1    H    H         0.000     -1.773    1.473    3.152
 DBZ           CB     C    CH2       0.000     -3.085    0.050    0.484
 DBZ           HB1    H    H         0.000     -3.441    0.934   -0.050
 DBZ           HB2    H    H         0.000     -3.853   -0.282    1.186
 DBZ           NG     N    NH1       0.000     -2.806   -1.001   -0.457
 DBZ           HNG    H    H         0.000     -2.507   -0.751   -1.389
 DBZ           CD2    C    C         0.000     -2.930   -2.348   -0.136
 DBZ           OD2    O    O         0.000     -3.284   -2.774    0.960
 DBZ           C1     C    CR6       0.000     -2.579   -3.311   -1.211
 DBZ           C6     C    CR16      0.000     -2.707   -2.917   -2.527
 DBZ           H6     H    H         0.000     -3.059   -1.923   -2.773
 DBZ           C5     C    CR16      0.000     -2.377   -3.822   -3.536
 DBZ           H5     H    H         0.000     -2.472   -3.532   -4.575
 DBZ           C4     C    CR16      0.000     -1.926   -5.100   -3.207
 DBZ           H4     H    H         0.000     -1.670   -5.802   -3.990
 DBZ           C3     C    CR16      0.000     -1.804   -5.473   -1.868
 DBZ           H3     H    H         0.000     -1.453   -6.465   -1.612
 DBZ           C2     C    CR16      0.000     -2.134   -4.568   -0.859
 DBZ           H2     H    H         0.000     -2.042   -4.848    0.183
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
 DBZ      O      n/a    C      START
 DBZ      C      O      CA     .
 DBZ      O1     C      .      .
 DBZ      CA     C      CB     .
 DBZ      HA     CA     .      .
 DBZ      N      CA     HN1    .
 DBZ      HN2    N      .      .
 DBZ      HN1    N      .      .
 DBZ      CB     CA     NG     .
 DBZ      HB1    CB     .      .
 DBZ      HB2    CB     .      .
 DBZ      NG     CB     CD2    .
 DBZ      HNG    NG     .      .
 DBZ      CD2    NG     C1     .
 DBZ      OD2    CD2    .      .
 DBZ      C1     CD2    C6     .
 DBZ      C6     C1     C5     .
 DBZ      H6     C6     .      .
 DBZ      C5     C6     C4     .
 DBZ      H5     C5     .      .
 DBZ      C4     C5     C3     .
 DBZ      H4     C4     .      .
 DBZ      C3     C4     C2     .
 DBZ      H3     C3     .      .
 DBZ      C2     C3     H2     .
 DBZ      H2     C2     .      END
 DBZ      C1     C2     .    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
 DBZ      N      CA        single      1.450    0.020
 DBZ      HN1    N         single      1.010    0.020
 DBZ      HN2    N         single      1.010    0.020
 DBZ      CB     CA        single      1.524    0.020
 DBZ      CA     C         single      1.500    0.020
 DBZ      HA     CA        single      1.099    0.020
 DBZ      NG     CB        single      1.450    0.020
 DBZ      HB1    CB        single      1.092    0.020
 DBZ      HB2    CB        single      1.092    0.020
 DBZ      CD2    NG        single      1.330    0.020
 DBZ      HNG    NG        single      1.010    0.020
 DBZ      OD2    CD2       double      1.220    0.020
 DBZ      C1     CD2       single      1.500    0.020
 DBZ      C1     C2        double      1.390    0.020
 DBZ      C6     C1        single      1.390    0.020
 DBZ      C2     C3        single      1.390    0.020
 DBZ      H2     C2        single      1.083    0.020
 DBZ      C5     C6        double      1.390    0.020
 DBZ      H6     C6        single      1.083    0.020
 DBZ      C3     C4        double      1.390    0.020
 DBZ      H3     C3        single      1.083    0.020
 DBZ      C4     C5        single      1.390    0.020
 DBZ      H5     C5        single      1.083    0.020
 DBZ      H4     C4        single      1.083    0.020
 DBZ      O1     C         deloc       1.250    0.020
 DBZ      C      O         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
 DBZ      O      C      O1      123.000    3.000
 DBZ      O      C      CA      118.500    3.000
 DBZ      O1     C      CA      118.500    3.000
 DBZ      C      CA     HA      108.810    3.000
 DBZ      C      CA     N       109.470    3.000
 DBZ      C      CA     CB      109.470    3.000
 DBZ      HA     CA     N       109.470    3.000
 DBZ      HA     CA     CB      108.340    3.000
 DBZ      N      CA     CB      109.470    3.000
 DBZ      CA     N      HN2     120.000    3.000
 DBZ      CA     N      HN1     120.000    3.000
 DBZ      HN2    N      HN1     120.000    3.000
 DBZ      CA     CB     HB1     109.470    3.000
 DBZ      CA     CB     HB2     109.470    3.000
 DBZ      CA     CB     NG      110.000    3.000
 DBZ      HB1    CB     HB2     107.900    3.000
 DBZ      HB1    CB     NG      109.470    3.000
 DBZ      HB2    CB     NG      109.470    3.000
 DBZ      CB     NG     HNG     118.500    3.000
 DBZ      CB     NG     CD2     121.500    3.000
 DBZ      HNG    NG     CD2     120.000    3.000
 DBZ      NG     CD2    OD2     123.000    3.000
 DBZ      NG     CD2    C1      120.000    3.000
 DBZ      OD2    CD2    C1      120.500    3.000
 DBZ      CD2    C1     C6      120.000    3.000
 DBZ      CD2    C1     C2      120.000    3.000
 DBZ      C6     C1     C2      120.000    3.000
 DBZ      C1     C6     H6      120.000    3.000
 DBZ      C1     C6     C5      120.000    3.000
 DBZ      H6     C6     C5      120.000    3.000
 DBZ      C6     C5     H5      120.000    3.000
 DBZ      C6     C5     C4      120.000    3.000
 DBZ      H5     C5     C4      120.000    3.000
 DBZ      C5     C4     H4      120.000    3.000
 DBZ      C5     C4     C3      120.000    3.000
 DBZ      H4     C4     C3      120.000    3.000
 DBZ      C4     C3     H3      120.000    3.000
 DBZ      C4     C3     C2      120.000    3.000
 DBZ      H3     C3     C2      120.000    3.000
 DBZ      C3     C2     H2      120.000    3.000
 DBZ      C3     C2     C1      120.000    3.000
 DBZ      H2     C2     C1      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
 DBZ      var_1    O      C      CA     CB       -91.367   20.000   3
 DBZ      var_2    C      CA     N      HN1     -103.155   20.000   1
 DBZ      var_3    C      CA     CB     NG        59.760   20.000   3
 DBZ      var_4    CA     CB     NG     CD2       89.995   20.000   3
 DBZ      CONST_1  CB     NG     CD2    C1       180.000    0.000   0
 DBZ      var_5    NG     CD2    C1     C6       -26.950   20.000   1
 DBZ      CONST_2  CD2    C1     C2     C3       180.000    0.000   0
 DBZ      CONST_3  CD2    C1     C6     C5       180.000    0.000   0
 DBZ      CONST_4  C1     C6     C5     C4         0.000    0.000   0
 DBZ      CONST_5  C6     C5     C4     C3         0.000    0.000   0
 DBZ      CONST_6  C5     C4     C3     C2         0.000    0.000   0
 DBZ      CONST_7  C4     C3     C2     C1         0.000    0.000   0
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
 DBZ      chir_01  CA     N      CB     C         negativ
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
 DBZ      plan-1    N         0.020
 DBZ      plan-1    CA        0.020
 DBZ      plan-1    HN1       0.020
 DBZ      plan-1    HN2       0.020
 DBZ      plan-2    NG        0.020
 DBZ      plan-2    CB        0.020
 DBZ      plan-2    CD2       0.020
 DBZ      plan-2    HNG       0.020
 DBZ      plan-3    CD2       0.020
 DBZ      plan-3    NG        0.020
 DBZ      plan-3    OD2       0.020
 DBZ      plan-3    C1        0.020
 DBZ      plan-3    HNG       0.020
 DBZ      plan-4    C1        0.020
 DBZ      plan-4    CD2       0.020
 DBZ      plan-4    C2        0.020
 DBZ      plan-4    C6        0.020
 DBZ      plan-4    C3        0.020
 DBZ      plan-4    C5        0.020
 DBZ      plan-4    C4        0.020
 DBZ      plan-4    H2        0.020
 DBZ      plan-4    H6        0.020
 DBZ      plan-4    H3        0.020
 DBZ      plan-4    H5        0.020
 DBZ      plan-4    H4        0.020
 DBZ      plan-5    C         0.020
 DBZ      plan-5    CA        0.020
 DBZ      plan-5    O1        0.020
 DBZ      plan-5    O         0.020
# ------------------------------------------------------
