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
DBP      DBP '1,3-DIAMINOBENZYL PHENYLALANINE     ' non-polymer        19   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DBP
#
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
 DBP           NE2    N    NH2       0.000      0.000    0.000    0.000
 DBP           HE21   H    H         0.000      0.503   -0.160   -0.870
 DBP           HE22   H    H         0.000      0.538    0.131    0.854
 DBP           CE2    C    CR6       0.000     -1.395    0.040    0.022
 DBP           CZ     C    CR16      0.000     -2.115   -0.141   -1.152
 DBP           HCZ1   H    H         0.000     -1.594   -0.315   -2.086
 DBP           CE1    C    CR16      0.000     -3.495   -0.100   -1.127
 DBP           HC11   H    H         0.000     -4.057   -0.240   -2.043
 DBP           CD1    C    CR16      0.000     -4.160    0.120    0.063
 DBP           HD11   H    H         0.000     -5.243    0.151    0.080
 DBP           CD2    C    CR16      0.000     -2.067    0.267    1.216
 DBP           HC21   H    H         0.000     -1.509    0.417    2.132
 DBP           CG     C    CR6       0.000     -3.446    0.301    1.234
 DBP           CB     C    CH2       0.000     -4.177    0.541    2.530
 DBP           HB11   H    H         0.000     -5.119    1.055    2.325
 DBP           HB21   H    H         0.000     -3.560    1.160    3.185
 DBP           N      N    NH2       0.000     -4.451   -0.745    3.184
 DBP           HN21   H    H         0.000     -4.005   -0.976    4.064
 DBP           HN1    H    H         0.000     -5.087   -1.409    2.760
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
 DBP      NE2    n/a    CE2    START
 DBP      HE21   NE2    .      .
 DBP      HE22   NE2    .      .
 DBP      CE2    NE2    CD2    .
 DBP      CZ     CE2    CE1    .
 DBP      HCZ1   CZ     .      .
 DBP      CE1    CZ     CD1    .
 DBP      HC11   CE1    .      .
 DBP      CD1    CE1    HD11   .
 DBP      HD11   CD1    .      .
 DBP      CD2    CE2    CG     .
 DBP      HC21   CD2    .      .
 DBP      CG     CD2    CB     .
 DBP      CB     CG     N      .
 DBP      HB11   CB     .      .
 DBP      HB21   CB     .      .
 DBP      N      CB     HN1    .
 DBP      HN21   N      .      .
 DBP      HN1    N      .      END
 DBP      CG     CD1    .    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
 DBP      N      CB        single      1.450    0.020
 DBP      HN1    N         single      1.010    0.020
 DBP      HN21   N         single      1.010    0.020
 DBP      CB     CG        single      1.511    0.020
 DBP      HB11   CB        single      1.092    0.020
 DBP      HB21   CB        single      1.092    0.020
 DBP      CG     CD1       double      1.390    0.020
 DBP      CG     CD2       single      1.390    0.020
 DBP      CD1    CE1       single      1.390    0.020
 DBP      HD11   CD1       single      1.083    0.020
 DBP      CE1    CZ        double      1.390    0.020
 DBP      HC11   CE1       single      1.083    0.020
 DBP      CD2    CE2       double      1.390    0.020
 DBP      HC21   CD2       single      1.083    0.020
 DBP      CZ     CE2       single      1.390    0.020
 DBP      CE2    NE2       single      1.355    0.020
 DBP      HCZ1   CZ        single      1.083    0.020
 DBP      HE21   NE2       single      1.010    0.020
 DBP      HE22   NE2       single      1.010    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
 DBP      HE21   NE2    HE22    120.000    3.000
 DBP      HE21   NE2    CE2     120.000    3.000
 DBP      HE22   NE2    CE2     120.000    3.000
 DBP      NE2    CE2    CZ      120.000    3.000
 DBP      NE2    CE2    CD2     120.000    3.000
 DBP      CZ     CE2    CD2     120.000    3.000
 DBP      CE2    CZ     HCZ1    120.000    3.000
 DBP      CE2    CZ     CE1     120.000    3.000
 DBP      HCZ1   CZ     CE1     120.000    3.000
 DBP      CZ     CE1    HC11    120.000    3.000
 DBP      CZ     CE1    CD1     120.000    3.000
 DBP      HC11   CE1    CD1     120.000    3.000
 DBP      CE1    CD1    HD11    120.000    3.000
 DBP      CE1    CD1    CG      120.000    3.000
 DBP      HD11   CD1    CG      120.000    3.000
 DBP      CE2    CD2    HC21    120.000    3.000
 DBP      CE2    CD2    CG      120.000    3.000
 DBP      HC21   CD2    CG      120.000    3.000
 DBP      CD2    CG     CB      120.000    3.000
 DBP      CD2    CG     CD1     120.000    3.000
 DBP      CB     CG     CD1     120.000    3.000
 DBP      CG     CB     HB11    109.470    3.000
 DBP      CG     CB     HB21    109.470    3.000
 DBP      CG     CB     N       109.500    3.000
 DBP      HB11   CB     HB21    107.900    3.000
 DBP      HB11   CB     N       109.470    3.000
 DBP      HB21   CB     N       109.470    3.000
 DBP      CB     N      HN21    120.000    3.000
 DBP      CB     N      HN1     120.000    3.000
 DBP      HN21   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
 DBP      CONST_1  HE22   NE2    CE2    CD2        0.338    0.000   0
 DBP      CONST_2  NE2    CE2    CZ     CE1      180.000    0.000   0
 DBP      CONST_3  CE2    CZ     CE1    CD1        0.000    0.000   0
 DBP      CONST_4  CZ     CE1    CD1    CG         0.000    0.000   0
 DBP      CONST_5  NE2    CE2    CD2    CG       180.000    0.000   0
 DBP      CONST_6  CE2    CD2    CG     CB       180.000    0.000   0
 DBP      CONST_7  CD2    CG     CD1    CE1        0.000    0.000   0
 DBP      var_1    CD2    CG     CB     N        -90.285   20.000   2
 DBP      var_2    CG     CB     N      HN1      -66.205   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
 DBP      plan-1    N         0.020
 DBP      plan-1    CB        0.020
 DBP      plan-1    HN1       0.020
 DBP      plan-1    HN21      0.020
 DBP      plan-2    CG        0.020
 DBP      plan-2    CB        0.020
 DBP      plan-2    CD1       0.020
 DBP      plan-2    CD2       0.020
 DBP      plan-2    CE1       0.020
 DBP      plan-2    CE2       0.020
 DBP      plan-2    CZ        0.020
 DBP      plan-2    HD11      0.020
 DBP      plan-2    HC11      0.020
 DBP      plan-2    HC21      0.020
 DBP      plan-2    NE2       0.020
 DBP      plan-2    HCZ1      0.020
 DBP      plan-2    HE21      0.020
 DBP      plan-2    HE22      0.020
 DBP      plan-3    NE2       0.020
 DBP      plan-3    CE2       0.020
 DBP      plan-3    HE21      0.020
 DBP      plan-3    HE22      0.020
# ------------------------------------------------------
