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
DNL      DNL '6-AMINO-HEXANAL                     ' non-polymer        21   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DNL
#
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
 DNL           O      O    O         0.000      0.000    0.000    0.000
 DNL           C      C    C1        0.000     -0.997   -0.115    0.672
 DNL           H      H    H         0.000     -0.992   -0.758    1.536
 DNL           CA     C    CH2       0.000     -2.246    0.641    0.302
 DNL           HA2    H    H         0.000     -2.086    1.166   -0.643
 DNL           HA     H    H         0.000     -2.477    1.366    1.085
 DNL           CB     C    CH2       0.000     -3.411   -0.340    0.151
 DNL           HB1    H    H         0.000     -3.568   -0.865    1.096
 DNL           HB2    H    H         0.000     -3.178   -1.064   -0.632
 DNL           CG     C    CH2       0.000     -4.680    0.429   -0.224
 DNL           HG1    H    H         0.000     -4.521    0.954   -1.168
 DNL           HG2    H    H         0.000     -4.911    1.153    0.559
 DNL           CD     C    CH2       0.000     -5.844   -0.552   -0.374
 DNL           HD1    H    H         0.000     -6.001   -1.077    0.570
 DNL           HD2    H    H         0.000     -5.610   -1.276   -1.158
 DNL           CE     C    CH2       0.000     -7.113    0.216   -0.750
 DNL           HE1    H    H         0.000     -6.953    0.741   -1.694
 DNL           HE2    H    H         0.000     -7.344    0.940    0.034
 DNL           NZ     N    NH2       0.000     -8.230   -0.726   -0.894
 DNL           HZ2    H    H         0.000     -8.086   -1.718   -0.747
 DNL           HZ1    H    H         0.000     -9.154   -0.390   -1.142
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
 DNL      O      n/a    C      START
 DNL      C      O      CA     .
 DNL      H      C      .      .
 DNL      CA     C      CB     .
 DNL      HA2    CA     .      .
 DNL      HA     CA     .      .
 DNL      CB     CA     CG     .
 DNL      HB1    CB     .      .
 DNL      HB2    CB     .      .
 DNL      CG     CB     CD     .
 DNL      HG1    CG     .      .
 DNL      HG2    CG     .      .
 DNL      CD     CG     CE     .
 DNL      HD1    CD     .      .
 DNL      HD2    CD     .      .
 DNL      CE     CD     NZ     .
 DNL      HE1    CE     .      .
 DNL      HE2    CE     .      .
 DNL      NZ     CE     HZ1    .
 DNL      HZ2    NZ     .      .
 DNL      HZ1    NZ     .      END
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
 DNL      CA     C         single      1.510    0.020
 DNL      CB     CA        single      1.524    0.020
 DNL      HA2    CA        single      1.092    0.020
 DNL      HA     CA        single      1.092    0.020
 DNL      C      O         double      1.220    0.020
 DNL      H      C         single      1.077    0.020
 DNL      CG     CB        single      1.524    0.020
 DNL      HB1    CB        single      1.092    0.020
 DNL      HB2    CB        single      1.092    0.020
 DNL      CD     CG        single      1.524    0.020
 DNL      HG1    CG        single      1.092    0.020
 DNL      HG2    CG        single      1.092    0.020
 DNL      CE     CD        single      1.524    0.020
 DNL      HD1    CD        single      1.092    0.020
 DNL      HD2    CD        single      1.092    0.020
 DNL      NZ     CE        single      1.450    0.020
 DNL      HE1    CE        single      1.092    0.020
 DNL      HE2    CE        single      1.092    0.020
 DNL      HZ1    NZ        single      1.010    0.020
 DNL      HZ2    NZ        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
 DNL      O      C      H       123.000    3.000
 DNL      O      C      CA      120.500    3.000
 DNL      H      C      CA      120.000    3.000
 DNL      C      CA     HA2     109.470    3.000
 DNL      C      CA     HA      109.470    3.000
 DNL      C      CA     CB      109.470    3.000
 DNL      HA2    CA     HA      107.900    3.000
 DNL      HA2    CA     CB      109.470    3.000
 DNL      HA     CA     CB      109.470    3.000
 DNL      CA     CB     HB1     109.470    3.000
 DNL      CA     CB     HB2     109.470    3.000
 DNL      CA     CB     CG      111.000    3.000
 DNL      HB1    CB     HB2     107.900    3.000
 DNL      HB1    CB     CG      109.470    3.000
 DNL      HB2    CB     CG      109.470    3.000
 DNL      CB     CG     HG1     109.470    3.000
 DNL      CB     CG     HG2     109.470    3.000
 DNL      CB     CG     CD      111.000    3.000
 DNL      HG1    CG     HG2     107.900    3.000
 DNL      HG1    CG     CD      109.470    3.000
 DNL      HG2    CG     CD      109.470    3.000
 DNL      CG     CD     HD1     109.470    3.000
 DNL      CG     CD     HD2     109.470    3.000
 DNL      CG     CD     CE      111.000    3.000
 DNL      HD1    CD     HD2     107.900    3.000
 DNL      HD1    CD     CE      109.470    3.000
 DNL      HD2    CD     CE      109.470    3.000
 DNL      CD     CE     HE1     109.470    3.000
 DNL      CD     CE     HE2     109.470    3.000
 DNL      CD     CE     NZ      109.470    3.000
 DNL      HE1    CE     HE2     107.900    3.000
 DNL      HE1    CE     NZ      109.470    3.000
 DNL      HE2    CE     NZ      109.470    3.000
 DNL      CE     NZ     HZ2     120.000    3.000
 DNL      CE     NZ     HZ1     120.000    3.000
 DNL      HZ2    NZ     HZ1     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
 DNL      var_1    O      C      CA     CB       124.963   20.000   1
 DNL      var_2    C      CA     CB     CG       179.968   20.000   3
 DNL      var_3    CA     CB     CG     CD       179.998   20.000   3
 DNL      var_4    CB     CG     CD     CE      -179.995   20.000   3
 DNL      var_5    CG     CD     CE     NZ       179.996   20.000   3
 DNL      var_6    CD     CE     NZ     HZ1      179.998   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
 DNL      plan-1    C         0.020
 DNL      plan-1    CA        0.020
 DNL      plan-1    O         0.020
 DNL      plan-1    H         0.020
 DNL      plan-2    NZ        0.020
 DNL      plan-2    CE        0.020
 DNL      plan-2    HZ1       0.020
 DNL      plan-2    HZ2       0.020
# ------------------------------------------------------
