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