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
VAF      VAF 'METHYLVALINE                        ' non-polymer        21   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VAF
#
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
 VAF           O      O    O         0.000      0.000    0.000    0.000
 VAF           CF     C    C         0.000     -1.061   -0.467   -0.333
 VAF           CJ     C    CH3       0.000     -1.376   -0.650   -1.796
 VAF           HJ3    H    H         0.000     -1.556   -1.675   -1.994
 VAF           HJ2    H    H         0.000     -2.238   -0.087   -2.046
 VAF           HJ1    H    H         0.000     -0.557   -0.317   -2.379
 VAF           CA     C    CH1       0.000     -2.072   -0.867    0.710
 VAF           HA     H    H         0.000     -2.677   -1.703    0.333
 VAF           N      N    NH2       0.000     -1.372   -1.281    1.933
 VAF           HN2    H    H         0.000     -0.362   -1.356    1.944
 VAF           HN1    H    H         0.000     -1.895   -1.494    2.775
 VAF           CB     C    CH1       0.000     -2.982    0.321    1.022
 VAF           HB     H    H         0.000     -3.505    0.631    0.106
 VAF           CG2    C    CH3       0.000     -2.140    1.485    1.545
 VAF           HG23   H    H         0.000     -1.429    1.767    0.811
 VAF           HG22   H    H         0.000     -2.770    2.310    1.760
 VAF           HG21   H    H         0.000     -1.635    1.189    2.428
 VAF           CG1    C    CH3       0.000     -4.007   -0.084    2.082
 VAF           HG13   H    H         0.000     -4.591   -0.891    1.721
 VAF           HG12   H    H         0.000     -3.504   -0.382    2.966
 VAF           HG11   H    H         0.000     -4.638    0.739    2.297
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
 VAF      O      n/a    CF     START
 VAF      CF     O      CA     .
 VAF      CJ     CF     HJ1    .
 VAF      HJ3    CJ     .      .
 VAF      HJ2    CJ     .      .
 VAF      HJ1    CJ     .      .
 VAF      CA     CF     CB     .
 VAF      HA     CA     .      .
 VAF      N      CA     HN1    .
 VAF      HN2    N      .      .
 VAF      HN1    N      .      .
 VAF      CB     CA     CG1    .
 VAF      HB     CB     .      .
 VAF      CG2    CB     HG21   .
 VAF      HG23   CG2    .      .
 VAF      HG22   CG2    .      .
 VAF      HG21   CG2    .      .
 VAF      CG1    CB     HG11   .
 VAF      HG13   CG1    .      .
 VAF      HG12   CG1    .      .
 VAF      HG11   CG1    .      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
 VAF      N      CA        single      1.450    0.020
 VAF      HN1    N         single      1.010    0.020
 VAF      HN2    N         single      1.010    0.020
 VAF      CB     CA        single      1.524    0.020
 VAF      CA     CF        single      1.500    0.020
 VAF      HA     CA        single      1.099    0.020
 VAF      CG1    CB        single      1.524    0.020
 VAF      CG2    CB        single      1.524    0.020
 VAF      HB     CB        single      1.099    0.020
 VAF      HG11   CG1       single      1.059    0.020
 VAF      HG12   CG1       single      1.059    0.020
 VAF      HG13   CG1       single      1.059    0.020
 VAF      HG21   CG2       single      1.059    0.020
 VAF      HG22   CG2       single      1.059    0.020
 VAF      HG23   CG2       single      1.059    0.020
 VAF      CJ     CF        single      1.500    0.020
 VAF      CF     O         double      1.220    0.020
 VAF      HJ1    CJ        single      1.059    0.020
 VAF      HJ2    CJ        single      1.059    0.020
 VAF      HJ3    CJ        single      1.059    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
 VAF      O      CF     CJ      123.000    3.000
 VAF      O      CF     CA      120.500    3.000
 VAF      CJ     CF     CA      120.000    3.000
 VAF      CF     CJ     HJ3     109.470    3.000
 VAF      CF     CJ     HJ2     109.470    3.000
 VAF      CF     CJ     HJ1     109.470    3.000
 VAF      HJ3    CJ     HJ2     109.470    3.000
 VAF      HJ3    CJ     HJ1     109.470    3.000
 VAF      HJ2    CJ     HJ1     109.470    3.000
 VAF      CF     CA     HA      108.810    3.000
 VAF      CF     CA     N       109.470    3.000
 VAF      CF     CA     CB      109.470    3.000
 VAF      HA     CA     N       109.470    3.000
 VAF      HA     CA     CB      108.340    3.000
 VAF      N      CA     CB      109.470    3.000
 VAF      CA     N      HN2     120.000    3.000
 VAF      CA     N      HN1     120.000    3.000
 VAF      HN2    N      HN1     120.000    3.000
 VAF      CA     CB     HB      108.340    3.000
 VAF      CA     CB     CG2     111.000    3.000
 VAF      CA     CB     CG1     111.000    3.000
 VAF      HB     CB     CG2     108.340    3.000
 VAF      HB     CB     CG1     108.340    3.000
 VAF      CG2    CB     CG1     111.000    3.000
 VAF      CB     CG2    HG23    109.470    3.000
 VAF      CB     CG2    HG22    109.470    3.000
 VAF      CB     CG2    HG21    109.470    3.000
 VAF      HG23   CG2    HG22    109.470    3.000
 VAF      HG23   CG2    HG21    109.470    3.000
 VAF      HG22   CG2    HG21    109.470    3.000
 VAF      CB     CG1    HG13    109.470    3.000
 VAF      CB     CG1    HG12    109.470    3.000
 VAF      CB     CG1    HG11    109.470    3.000
 VAF      HG13   CG1    HG12    109.470    3.000
 VAF      HG13   CG1    HG11    109.470    3.000
 VAF      HG12   CG1    HG11    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
 VAF      var_1    O      CF     CJ     HJ1       -0.005   20.000   1
 VAF      var_2    O      CF     CA     CB        89.946   20.000   3
 VAF      var_3    CF     CA     N      HN1      173.755   20.000   1
 VAF      var_4    CF     CA     CB     CG1     -179.913   20.000   3
 VAF      var_5    CA     CB     CG2    HG21     -60.081   20.000   3
 VAF      var_6    CA     CB     CG1    HG11    -179.915   20.000   3
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 VAF      chir_01  CA     N      CB     CF        negativ
 VAF      chir_02  CB     CA     CG1    CG2       negativ
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
 VAF      plan-1    N         0.020
 VAF      plan-1    CA        0.020
 VAF      plan-1    HN1       0.020
 VAF      plan-1    HN2       0.020
 VAF      plan-2    CF        0.020
 VAF      plan-2    CA        0.020
 VAF      plan-2    CJ        0.020
 VAF      plan-2    O         0.020
# ------------------------------------------------------
