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
LVG      LVG 'L-VINYLGLYCINE                      ' peptide            13   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LVG
#
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
 LVG           N      N    NH2       0.000      0.000    0.000    0.000
 LVG           HN1    H    H         0.000      0.371   -0.240    0.912
 LVG           HN2    H    H         0.000      0.633    0.094   -0.785
 LVG           CA     C    CH1       0.000     -1.442    0.211   -0.182
 LVG           HA     H    H         0.000     -1.627    1.259   -0.455
 LVG           CB     C    C1        0.000     -1.946   -0.690   -1.278
 LVG           HB     H    H         0.000     -1.849   -1.758   -1.183
 LVG           CG1    C    C2        0.000     -2.503   -0.176   -2.346
 LVG           HG12   H    H         0.000     -2.598    0.891   -2.439
 LVG           HG11   H    H         0.000     -2.862   -0.823   -3.126
 LVG           C      C    C         0.000     -2.162   -0.107    1.102
 LVG           O      O    OC       -0.500     -1.697   -0.967    1.884
 LVG           OXT    O    OC       -0.500     -3.224    0.488    1.388
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
 LVG      N      n/a    CA     START
 LVG      HN1    N      .      .
 LVG      HN2    N      .      .
 LVG      CA     N      C      .
 LVG      HA     CA     .      .
 LVG      CB     CA     CG1    .
 LVG      HB     CB     .      .
 LVG      CG1    CB     HG11   .
 LVG      HG12   CG1    .      .
 LVG      HG11   CG1    .      .
 LVG      C      CA     .      END
 LVG      O      C      .      .
 LVG      OXT    C      .      .
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
 LVG      CA     N         single      1.450    0.020
 LVG      C      CA        single      1.500    0.020
 LVG      CB     CA        single      1.510    0.020
 LVG      HA     CA        single      1.099    0.020
 LVG      O      C         deloc       1.250    0.020
 LVG      OXT    C         deloc       1.250    0.020
 LVG      CG1    CB        double      1.320    0.020
 LVG      HB     CB        single      1.077    0.020
 LVG      HG11   CG1       single      1.077    0.020
 LVG      HG12   CG1       single      1.077    0.020
 LVG      HN1    N         single      1.010    0.020
 LVG      HN2    N         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
 LVG      HN1    N      HN2     120.000    3.000
 LVG      HN1    N      CA      120.000    3.000
 LVG      HN2    N      CA      120.000    3.000
 LVG      N      CA     HA      109.470    3.000
 LVG      N      CA     CB      109.470    3.000
 LVG      N      CA     C       109.470    3.000
 LVG      HA     CA     CB      108.810    3.000
 LVG      HA     CA     C       108.810    3.000
 LVG      CB     CA     C       109.470    3.000
 LVG      CA     CB     HB      120.000    3.000
 LVG      CA     CB     CG1     120.000    3.000
 LVG      HB     CB     CG1     120.000    3.000
 LVG      CB     CG1    HG12    120.000    3.000
 LVG      CB     CG1    HG11    120.000    3.000
 LVG      HG12   CG1    HG11    120.000    3.000
 LVG      CA     C      O       118.500    3.000
 LVG      CA     C      OXT     118.500    3.000
 LVG      O      C      OXT     123.000    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
 LVG      var_1    HN2    N      CA     C        175.000   20.000   1
 LVG      var_2    N      CA     CB     CG1     -119.977   20.000   1
 LVG      CONST_1  CA     CB     CG1    HG11    -179.949    0.000   0
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
 LVG      chir_01  CA     N      C      CB        positiv
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
 LVG      plan-1    N         0.020
 LVG      plan-1    CA        0.020
 LVG      plan-1    HN1       0.020
 LVG      plan-1    HN2       0.020
 LVG      plan-2    C         0.020
 LVG      plan-2    CA        0.020
 LVG      plan-2    O         0.020
 LVG      plan-2    OXT       0.020
 LVG      plan-3    CB        0.020
 LVG      plan-3    CA        0.020
 LVG      plan-3    CG1       0.020
 LVG      plan-3    HB        0.020
 LVG      plan-3    HG11      0.020
 LVG      plan-3    HG12      0.020
# ------------------------------------------------------
