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
DAV      DAV 'DELTA-AMINO VALERIC ACID            ' non-polymer        19   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DAV
#
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
 DAV           OT2    O    OC       -0.500      0.000    0.000    0.000
 DAV           C      C    C         0.000     -0.906   -0.862    0.001
 DAV           OT1    O    OC       -0.500     -0.613   -2.079    0.002
 DAV           CA     C    CH2       0.000     -2.352   -0.435    0.000
 DAV           HCA1   H    H         0.000     -2.847   -0.826    0.891
 DAV           HCA2   H    H         0.000     -2.846   -0.827   -0.891
 DAV           CB     C    CH2       0.000     -2.432    1.093   -0.001
 DAV           HCB1   H    H         0.000     -1.935    1.483   -0.892
 DAV           HCB2   H    H         0.000     -1.936    1.484    0.890
 DAV           CG     C    CH2       0.000     -3.900    1.526   -0.002
 DAV           HCG1   H    H         0.000     -4.395    1.135    0.889
 DAV           HCG2   H    H         0.000     -4.394    1.134   -0.893
 DAV           CD     C    CH2       0.000     -3.980    3.054   -0.003
 DAV           HCD1   H    H         0.000     -3.483    3.444   -0.894
 DAV           HCD2   H    H         0.000     -3.484    3.445    0.888
 DAV           NE     N    NT3       1.000     -5.389    3.470   -0.004
 DAV           HT3    H    H         0.000     -5.854    3.101    0.840
 DAV           HT2    H    H         0.000     -5.440    4.501   -0.006
 DAV           HT1    H    H         0.000     -5.853    3.098   -0.847
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
 DAV      OT2    n/a    C      START
 DAV      C      OT2    CA     .
 DAV      OT1    C      .      .
 DAV      CA     C      CB     .
 DAV      HCA1   CA     .      .
 DAV      HCA2   CA     .      .
 DAV      CB     CA     CG     .
 DAV      HCB1   CB     .      .
 DAV      HCB2   CB     .      .
 DAV      CG     CB     CD     .
 DAV      HCG1   CG     .      .
 DAV      HCG2   CG     .      .
 DAV      CD     CG     NE     .
 DAV      HCD1   CD     .      .
 DAV      HCD2   CD     .      .
 DAV      NE     CD     HT1    .
 DAV      HT3    NE     .      .
 DAV      HT2    NE     .      .
 DAV      HT1    NE     .      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
 DAV      OT1    C         deloc       1.250    0.020
 DAV      C      OT2       deloc       1.250    0.020
 DAV      CG     CB        single      1.524    0.020
 DAV      CB     CA        single      1.524    0.020
 DAV      HCB1   CB        single      1.092    0.020
 DAV      HCB2   CB        single      1.092    0.020
 DAV      CD     CG        single      1.524    0.020
 DAV      HCG1   CG        single      1.092    0.020
 DAV      HCG2   CG        single      1.092    0.020
 DAV      NE     CD        single      1.488    0.020
 DAV      HCD1   CD        single      1.092    0.020
 DAV      HCD2   CD        single      1.092    0.020
 DAV      HT1    NE        single      1.033    0.020
 DAV      HT2    NE        single      1.033    0.020
 DAV      HT3    NE        single      1.033    0.020
 DAV      CA     C         single      1.510    0.020
 DAV      HCA1   CA        single      1.092    0.020
 DAV      HCA2   CA        single      1.092    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
 DAV      OT2    C      OT1     123.000    3.000
 DAV      OT2    C      CA      118.500    3.000
 DAV      OT1    C      CA      118.500    3.000
 DAV      C      CA     HCA1    109.470    3.000
 DAV      C      CA     HCA2    109.470    3.000
 DAV      C      CA     CB      109.470    3.000
 DAV      HCA1   CA     HCA2    107.900    3.000
 DAV      HCA1   CA     CB      109.470    3.000
 DAV      HCA2   CA     CB      109.470    3.000
 DAV      CA     CB     HCB1    109.470    3.000
 DAV      CA     CB     HCB2    109.470    3.000
 DAV      CA     CB     CG      111.000    3.000
 DAV      HCB1   CB     HCB2    107.900    3.000
 DAV      HCB1   CB     CG      109.470    3.000
 DAV      HCB2   CB     CG      109.470    3.000
 DAV      CB     CG     HCG1    109.470    3.000
 DAV      CB     CG     HCG2    109.470    3.000
 DAV      CB     CG     CD      111.000    3.000
 DAV      HCG1   CG     HCG2    107.900    3.000
 DAV      HCG1   CG     CD      109.470    3.000
 DAV      HCG2   CG     CD      109.470    3.000
 DAV      CG     CD     HCD1    109.470    3.000
 DAV      CG     CD     HCD2    109.470    3.000
 DAV      CG     CD     NE      110.000    3.000
 DAV      HCD1   CD     HCD2    107.900    3.000
 DAV      HCD1   CD     NE      109.470    3.000
 DAV      HCD2   CD     NE      109.470    3.000
 DAV      CD     NE     HT3     109.470    3.000
 DAV      CD     NE     HT2     109.470    3.000
 DAV      CD     NE     HT1     109.470    3.000
 DAV      HT3    NE     HT2     109.470    3.000
 DAV      HT3    NE     HT1     109.470    3.000
 DAV      HT2    NE     HT1     109.470    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
 DAV      var_1    OT2    C      CA     CB        -0.053   20.000   3
 DAV      var_2    C      CA     CB     CG       180.000   20.000   3
 DAV      var_3    CA     CB     CG     CD       180.000   20.000   3
 DAV      var_4    CB     CG     CD     NE       180.000   20.000   3
 DAV      var_5    CG     CD     NE     HT1      -59.947   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
 DAV      plan-1    C         0.020
 DAV      plan-1    OT1       0.000
 DAV      plan-1    OT2       0.000
 DAV      plan-1    CA        0.000
# ------------------------------------------------------
