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
ZAB      ZAB '(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZE' non-polymer        34  20 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZAB
#
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
 ZAB           OXT    O    OC       -0.500      0.000    0.000    0.000
 ZAB           C      C    C         0.000      0.000    0.000    0.000
 ZAB           O      O    OC       -0.500      0.000    0.000    0.000
 ZAB           CM     C    CH2       0.000      0.000    0.000    0.000
 ZAB           HM2    H    H         0.000      0.000    0.000    0.000
 ZAB           HM3    H    H         0.000      0.000    0.000    0.000
 ZAB           CK1    C    CR6       0.000      0.000    0.000    0.000
 ZAB           CL     C    CR16      0.000      0.000    0.000    0.000
 ZAB           HL     H    H         0.000      0.000    0.000    0.000
 ZAB           CK2    C    CR16      0.000      0.000    0.000    0.000
 ZAB           HK2    H    H         0.000      0.000    0.000    0.000
 ZAB           CJ2    C    CR16      0.000      0.000    0.000    0.000
 ZAB           HJ2    H    H         0.000      0.000    0.000    0.000
 ZAB           CJ1    C    CR16      0.000      0.000    0.000    0.000
 ZAB           HJ1    H    H         0.000      0.000    0.000    0.000
 ZAB           CI     C    CR6       0.000      0.000    0.000    0.000
 ZAB           NI     N    N         0.000      0.000    0.000    0.000
 ZAB           NG     N    N         0.000      0.000    0.000    0.000
 ZAB           CD1    C    CR6       0.000      0.000    0.000    0.000
 ZAB           CE     C    CR16      0.000      0.000    0.000    0.000
 ZAB           HE     H    H         0.000      0.000    0.000    0.000
 ZAB           CD2    C    CR16      0.000      0.000    0.000    0.000
 ZAB           HD2    H    H         0.000      0.000    0.000    0.000
 ZAB           CG2    C    CR16      0.000      0.000    0.000    0.000
 ZAB           HG2    H    H         0.000      0.000    0.000    0.000
 ZAB           CG1    C    CR16      0.000      0.000    0.000    0.000
 ZAB           HG1    H    H         0.000      0.000    0.000    0.000
 ZAB           CB     C    CR6       0.000      0.000    0.000    0.000
 ZAB           CA     C    CH2       0.000      0.000    0.000    0.000
 ZAB           HA2    H    H         0.000      0.000    0.000    0.000
 ZAB           HA3    H    H         0.000      0.000    0.000    0.000
 ZAB           N      N    NH2       0.000      0.000    0.000    0.000
 ZAB           HN2    H    H         0.000      0.000    0.000    0.000
 ZAB           HN1    H    H         0.000      0.000    0.000    0.000
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
 ZAB      OXT    n/a    C      START
 ZAB      C      OXT    CM     .
 ZAB      O      C      .      .
 ZAB      CM     C      CK1    .
 ZAB      HM2    CM     .      .
 ZAB      HM3    CM     .      .
 ZAB      CK1    CM     CJ1    .
 ZAB      CL     CK1    CK2    .
 ZAB      HL     CL     .      .
 ZAB      CK2    CL     CJ2    .
 ZAB      HK2    CK2    .      .
 ZAB      CJ2    CK2    HJ2    .
 ZAB      HJ2    CJ2    .      .
 ZAB      CJ1    CK1    CI     .
 ZAB      HJ1    CJ1    .      .
 ZAB      CI     CJ1    NI     .
 ZAB      NI     CI     NG     .
 ZAB      NG     NI     CD1    .
 ZAB      CD1    NG     CG1    .
 ZAB      CE     CD1    CD2    .
 ZAB      HE     CE     .      .
 ZAB      CD2    CE     CG2    .
 ZAB      HD2    CD2    .      .
 ZAB      CG2    CD2    HG2    .
 ZAB      HG2    CG2    .      .
 ZAB      CG1    CD1    CB     .
 ZAB      HG1    CG1    .      .
 ZAB      CB     CG1    CA     .
 ZAB      CA     CB     N      .
 ZAB      HA2    CA     .      .
 ZAB      HA3    CA     .      .
 ZAB      N      CA     HN1    .
 ZAB      HN2    N      .      .
 ZAB      HN1    N      .      END
 ZAB      CB     CG2    .    ADD
 ZAB      CI     CJ2    .    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
 ZAB      N      CA        single      1.450    0.020
 ZAB      HN1    N         single      1.010    0.020
 ZAB      HN2    N         single      1.010    0.020
 ZAB      CA     CB        single      1.511    0.020
 ZAB      HA2    CA        single      1.092    0.020
 ZAB      HA3    CA        single      1.092    0.020
 ZAB      CB     CG2       single      1.390    0.020
 ZAB      CB     CG1       double      1.390    0.020
 ZAB      CG2    CD2       double      1.390    0.020
 ZAB      HG2    CG2       single      1.083    0.020
 ZAB      CD2    CE        single      1.390    0.020
 ZAB      HD2    CD2       single      1.083    0.020
 ZAB      CE     CD1       double      1.390    0.020
 ZAB      HE     CE        single      1.083    0.020
 ZAB      CG1    CD1       single      1.390    0.020
 ZAB      CD1    NG        single      1.400    0.020
 ZAB      HG1    CG1       single      1.083    0.020
 ZAB      NG     NI        double      1.240    0.020
 ZAB      NI     CI        single      1.400    0.020
 ZAB      CI     CJ2       single      1.390    0.020
 ZAB      CI     CJ1       double      1.390    0.020
 ZAB      CJ2    CK2       double      1.390    0.020
 ZAB      HJ2    CJ2       single      1.083    0.020
 ZAB      CK2    CL        single      1.390    0.020
 ZAB      HK2    CK2       single      1.083    0.020
 ZAB      CL     CK1       double      1.390    0.020
 ZAB      HL     CL        single      1.083    0.020
 ZAB      CJ1    CK1       single      1.390    0.020
 ZAB      CK1    CM        single      1.511    0.020
 ZAB      HJ1    CJ1       single      1.083    0.020
 ZAB      CM     C         single      1.510    0.020
 ZAB      HM2    CM        single      1.092    0.020
 ZAB      HM3    CM        single      1.092    0.020
 ZAB      O      C         deloc       1.250    0.020
 ZAB      C      OXT       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
 ZAB      OXT    C      O       123.000    3.000
 ZAB      OXT    C      CM      118.500    3.000
 ZAB      O      C      CM      118.500    3.000
 ZAB      C      CM     HM2     109.470    3.000
 ZAB      C      CM     HM3     109.470    3.000
 ZAB      C      CM     CK1     109.470    3.000
 ZAB      HM2    CM     HM3     107.900    3.000
 ZAB      HM2    CM     CK1     109.470    3.000
 ZAB      HM3    CM     CK1     109.470    3.000
 ZAB      CM     CK1    CL      120.000    3.000
 ZAB      CM     CK1    CJ1     120.000    3.000
 ZAB      CL     CK1    CJ1     120.000    3.000
 ZAB      CK1    CL     HL      120.000    3.000
 ZAB      CK1    CL     CK2     120.000    3.000
 ZAB      HL     CL     CK2     120.000    3.000
 ZAB      CL     CK2    HK2     120.000    3.000
 ZAB      CL     CK2    CJ2     120.000    3.000
 ZAB      HK2    CK2    CJ2     120.000    3.000
 ZAB      CK2    CJ2    HJ2     120.000    3.000
 ZAB      CK2    CJ2    CI      120.000    3.000
 ZAB      HJ2    CJ2    CI      120.000    3.000
 ZAB      CK1    CJ1    HJ1     120.000    3.000
 ZAB      CK1    CJ1    CI      120.000    3.000
 ZAB      HJ1    CJ1    CI      120.000    3.000
 ZAB      CJ1    CI     NI      120.000    3.000
 ZAB      CJ1    CI     CJ2     120.000    3.000
 ZAB      NI     CI     CJ2     120.000    3.000
 ZAB      CI     NI     NG      120.000    3.000
 ZAB      NI     NG     CD1     120.000    3.000
 ZAB      NG     CD1    CE      120.000    3.000
 ZAB      NG     CD1    CG1     120.000    3.000
 ZAB      CE     CD1    CG1     120.000    3.000
 ZAB      CD1    CE     HE      120.000    3.000
 ZAB      CD1    CE     CD2     120.000    3.000
 ZAB      HE     CE     CD2     120.000    3.000
 ZAB      CE     CD2    HD2     120.000    3.000
 ZAB      CE     CD2    CG2     120.000    3.000
 ZAB      HD2    CD2    CG2     120.000    3.000
 ZAB      CD2    CG2    HG2     120.000    3.000
 ZAB      CD2    CG2    CB      120.000    3.000
 ZAB      HG2    CG2    CB      120.000    3.000
 ZAB      CD1    CG1    HG1     120.000    3.000
 ZAB      CD1    CG1    CB      120.000    3.000
 ZAB      HG1    CG1    CB      120.000    3.000
 ZAB      CG1    CB     CA      120.000    3.000
 ZAB      CG1    CB     CG2     120.000    3.000
 ZAB      CA     CB     CG2     120.000    3.000
 ZAB      CB     CA     HA2     109.470    3.000
 ZAB      CB     CA     HA3     109.470    3.000
 ZAB      CB     CA     N       109.500    3.000
 ZAB      HA2    CA     HA3     107.900    3.000
 ZAB      HA2    CA     N       109.470    3.000
 ZAB      HA3    CA     N       109.470    3.000
 ZAB      CA     N      HN2     120.000    3.000
 ZAB      CA     N      HN1     120.000    3.000
 ZAB      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
 ZAB      var_1    OXT    C      CM     CK1        0.000   20.000   3
 ZAB      var_2    C      CM     CK1    CJ1        0.000   20.000   2
 ZAB      CONST_1  CM     CK1    CL     CK2        0.000    0.000   0
 ZAB      CONST_2  CK1    CL     CK2    CJ2        0.000    0.000   0
 ZAB      CONST_3  CL     CK2    CJ2    CI         0.000    0.000   0
 ZAB      CONST_4  CM     CK1    CJ1    CI         0.000    0.000   0
 ZAB      CONST_5  CK1    CJ1    CI     NI         0.000    0.000   0
 ZAB      CONST_6  CJ1    CI     CJ2    CK2        0.000    0.000   0
 ZAB      var_3    CJ1    CI     NI     NG         0.000   20.000   1
 ZAB      CONST_7  CI     NI     NG     CD1        0.000    0.000   0
 ZAB      var_4    NI     NG     CD1    CG1        0.000   20.000   1
 ZAB      CONST_8  NG     CD1    CE     CD2        0.000    0.000   0
 ZAB      CONST_9  CD1    CE     CD2    CG2        0.000    0.000   0
 ZAB      CONST_10 CE     CD2    CG2    CB         0.000    0.000   0
 ZAB      CONST_11 NG     CD1    CG1    CB         0.000    0.000   0
 ZAB      CONST_12 CD1    CG1    CB     CA         0.000    0.000   0
 ZAB      CONST_13 CG1    CB     CG2    CD2        0.000    0.000   0
 ZAB      var_5    CG1    CB     CA     N          0.000   20.000   2
 ZAB      var_6    CB     CA     N      HN1        0.000   20.000   1
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
 ZAB      plan-1    N         0.020
 ZAB      plan-1    CA        0.020
 ZAB      plan-1    HN1       0.020
 ZAB      plan-1    HN2       0.020
 ZAB      plan-2    CB        0.020
 ZAB      plan-2    CA        0.020
 ZAB      plan-2    CG2       0.020
 ZAB      plan-2    CG1       0.020
 ZAB      plan-2    CD2       0.020
 ZAB      plan-2    CE        0.020
 ZAB      plan-2    CD1       0.020
 ZAB      plan-2    HG2       0.020
 ZAB      plan-2    HD2       0.020
 ZAB      plan-2    HE        0.020
 ZAB      plan-2    NG        0.020
 ZAB      plan-2    HG1       0.020
 ZAB      plan-3    NG        0.020
 ZAB      plan-3    CD1       0.020
 ZAB      plan-3    NI        0.020
 ZAB      plan-3    CI        0.020
 ZAB      plan-4    CI        0.020
 ZAB      plan-4    NI        0.020
 ZAB      plan-4    CJ2       0.020
 ZAB      plan-4    CJ1       0.020
 ZAB      plan-4    CK2       0.020
 ZAB      plan-4    CL        0.020
 ZAB      plan-4    CK1       0.020
 ZAB      plan-4    HJ2       0.020
 ZAB      plan-4    HK2       0.020
 ZAB      plan-4    HL        0.020
 ZAB      plan-4    CM        0.020
 ZAB      plan-4    HJ1       0.020
 ZAB      plan-5    C         0.020
 ZAB      plan-5    CM        0.020
 ZAB      plan-5    O         0.020
 ZAB      plan-5    OXT       0.020
# ------------------------------------------------------
