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
GVA      GVA '5-{[AMINO(IMINO)METHYL]AMINO}PENTANO' non-polymer        23  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GVA
#
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
 GVA           OA     O    OC       -0.500      0.000    0.000    0.000
 GVA           C      C    C         0.000     -0.699    1.021   -0.186
 GVA           OB     O    OC       -0.500     -0.307    2.180    0.075
 GVA           CA     C    CH2       0.000     -2.060    0.698   -0.749
 GVA           HA1    H    H         0.000     -2.581    0.065   -0.028
 GVA           HA2    H    H         0.000     -1.917    0.146   -1.680
 GVA           CB     C    CH2       0.000     -2.890    1.950   -1.022
 GVA           HB1    H    H         0.000     -2.363    2.547   -1.770
 GVA           HB2    H    H         0.000     -2.961    2.517   -0.091
 GVA           CG     C    CH2       0.000     -4.299    1.618   -1.530
 GVA           HG1    H    H         0.000     -4.793    1.011   -0.768
 GVA           HG2    H    H         0.000     -4.194    1.035   -2.447
 GVA           CD     C    CH2       0.000     -5.133    2.864   -1.810
 GVA           HD1    H    H         0.000     -4.617    3.444   -2.578
 GVA           HD2    H    H         0.000     -5.181    3.446   -0.887
 GVA           NE     N    NH1       0.000     -6.465    2.557   -2.254
 GVA           HNE    H    H         0.000     -6.680    1.578   -2.382
 GVA           CZ     C    C         0.000     -7.485    3.451   -2.525
 GVA           NH1    N    N         0.000     -8.660    3.044   -2.924
 GVA           HNH1   H    H         0.000     -8.846    2.107   -3.040
 GVA           NH2    N    NH2       0.000     -7.200    4.783   -2.355
 GVA           HH22   H    H         0.000     -7.906    5.493   -2.537
 GVA           HH21   H    H         0.000     -6.279    5.082   -2.043
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
 GVA      OA     n/a    C      START
 GVA      C      OA     CA     .
 GVA      OB     C      .      .
 GVA      CA     C      CB     .
 GVA      HA1    CA     .      .
 GVA      HA2    CA     .      .
 GVA      CB     CA     CG     .
 GVA      HB1    CB     .      .
 GVA      HB2    CB     .      .
 GVA      CG     CB     CD     .
 GVA      HG1    CG     .      .
 GVA      HG2    CG     .      .
 GVA      CD     CG     NE     .
 GVA      HD1    CD     .      .
 GVA      HD2    CD     .      .
 GVA      NE     CD     CZ     .
 GVA      HNE    NE     .      .
 GVA      CZ     NE     NH2    .
 GVA      NH1    CZ     HNH1   .
 GVA      HNH1   NH1    .      .
 GVA      NH2    CZ     HH21   .
 GVA      HH22   NH2    .      .
 GVA      HH21   NH2    .      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
 GVA      OB     C         deloc       1.250    0.020
 GVA      C      OA        deloc       1.250    0.020
 GVA      CA     C         single      1.510    0.020
 GVA      CB     CA        single      1.524    0.020
 GVA      HA1    CA        single      1.092    0.020
 GVA      HA2    CA        single      1.092    0.020
 GVA      CG     CB        single      1.524    0.020
 GVA      HB1    CB        single      1.092    0.020
 GVA      HB2    CB        single      1.092    0.020
 GVA      CD     CG        single      1.524    0.020
 GVA      HG1    CG        single      1.092    0.020
 GVA      HG2    CG        single      1.092    0.020
 GVA      NE     CD        single      1.450    0.020
 GVA      HD1    CD        single      1.092    0.020
 GVA      HD2    CD        single      1.092    0.020
 GVA      CZ     NE        single      1.330    0.020
 GVA      HNE    NE        single      1.010    0.020
 GVA      NH2    CZ        single      1.332    0.020
 GVA      NH1    CZ        double      1.260    0.020
 GVA      HH21   NH2       single      1.010    0.020
 GVA      HH22   NH2       single      1.010    0.020
 GVA      HNH1   NH1       single      0.954    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
 GVA      OA     C      OB      123.000    3.000
 GVA      OA     C      CA      118.500    3.000
 GVA      OB     C      CA      118.500    3.000
 GVA      C      CA     HA1     109.470    3.000
 GVA      C      CA     HA2     109.470    3.000
 GVA      C      CA     CB      109.470    3.000
 GVA      HA1    CA     HA2     107.900    3.000
 GVA      HA1    CA     CB      109.470    3.000
 GVA      HA2    CA     CB      109.470    3.000
 GVA      CA     CB     HB1     109.470    3.000
 GVA      CA     CB     HB2     109.470    3.000
 GVA      CA     CB     CG      111.000    3.000
 GVA      HB1    CB     HB2     107.900    3.000
 GVA      HB1    CB     CG      109.470    3.000
 GVA      HB2    CB     CG      109.470    3.000
 GVA      CB     CG     HG1     109.470    3.000
 GVA      CB     CG     HG2     109.470    3.000
 GVA      CB     CG     CD      111.000    3.000
 GVA      HG1    CG     HG2     107.900    3.000
 GVA      HG1    CG     CD      109.470    3.000
 GVA      HG2    CG     CD      109.470    3.000
 GVA      CG     CD     HD1     109.470    3.000
 GVA      CG     CD     HD2     109.470    3.000
 GVA      CG     CD     NE      112.000    3.000
 GVA      HD1    CD     HD2     107.900    3.000
 GVA      HD1    CD     NE      109.470    3.000
 GVA      HD2    CD     NE      109.470    3.000
 GVA      CD     NE     HNE     118.500    3.000
 GVA      CD     NE     CZ      121.500    3.000
 GVA      HNE    NE     CZ      120.000    3.000
 GVA      NE     CZ     NH1     120.000    3.000
 GVA      NE     CZ     NH2     120.000    3.000
 GVA      NH1    CZ     NH2     120.000    3.000
 GVA      CZ     NH1    HNH1    120.000    3.000
 GVA      CZ     NH2    HH22    120.000    3.000
 GVA      CZ     NH2    HH21    120.000    3.000
 GVA      HH22   NH2    HH21    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
 GVA      var_1    OA     C      CA     CB      -177.894   20.000   3
 GVA      var_2    C      CA     CB     CG      -177.180   20.000   3
 GVA      var_3    CA     CB     CG     CD      -179.789   20.000   3
 GVA      var_4    CB     CG     CD     NE      -178.536   20.000   3
 GVA      var_5    CG     CD     NE     CZ       176.534   20.000   3
 GVA      CONST_1  CD     NE     CZ     NH2        0.000    0.000   0
 GVA      CONST_2  NE     CZ     NH1    HNH1       0.000    0.000   0
 GVA      CONST_3  NE     CZ     NH2    HH21       0.000    0.000   0
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
 GVA      plan-1    C         0.020
 GVA      plan-1    OB        0.020
 GVA      plan-1    OA        0.020
 GVA      plan-1    CA        0.020
 GVA      plan-2    NE        0.020
 GVA      plan-2    CD        0.020
 GVA      plan-2    CZ        0.020
 GVA      plan-2    HNE       0.020
 GVA      plan-3    CZ        0.020
 GVA      plan-3    NE        0.020
 GVA      plan-3    NH2       0.020
 GVA      plan-3    NH1       0.020
 GVA      plan-3    HNH1      0.020
 GVA      plan-3    HNE       0.020
 GVA      plan-3    HH22      0.020
 GVA      plan-3    HH21      0.020
 GVA      plan-4    NH2       0.020
 GVA      plan-4    CZ        0.020
 GVA      plan-4    HH21      0.020
 GVA      plan-4    HH22      0.020
# ------------------------------------------------------
