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
VLM      VLM 'VALINYLAMINE                        ' non-polymer        20   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VLM
#
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
 VLM           O      O    O         0.000      0.000    0.000    0.000
 VLM           C      C    C         0.000     -0.831   -0.675   -0.570
 VLM           NT     N    NH2       0.000     -0.540   -1.939   -0.933
 VLM           HNT2   H    H         0.000      0.372   -2.331   -0.732
 VLM           HNT1   H    H         0.000     -1.231   -2.506   -1.408
 VLM           CA     C    CH1       0.000     -2.191   -0.098   -0.873
 VLM           HA     H    H         0.000     -2.512   -0.423   -1.872
 VLM           N      N    NH2       0.000     -2.121    1.369   -0.833
 VLM           H2     H    H         0.000     -2.353    1.914   -1.655
 VLM           H      H    H         0.000     -1.840    1.845    0.016
 VLM           CB     C    CH1       0.000     -3.197   -0.589    0.170
 VLM           HB     H    H         0.000     -3.184   -1.687    0.203
 VLM           CG2    C    CH3       0.000     -4.599   -0.107   -0.207
 VLM           HG23   H    H         0.000     -4.861   -0.491   -1.159
 VLM           HG22   H    H         0.000     -5.296   -0.447    0.514
 VLM           HG21   H    H         0.000     -4.613    0.952   -0.238
 VLM           CG1    C    CH3       0.000     -2.819   -0.033    1.545
 VLM           HG13   H    H         0.000     -3.515   -0.373    2.268
 VLM           HG12   H    H         0.000     -1.848   -0.368    1.808
 VLM           HG11   H    H         0.000     -2.830    1.026    1.515
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
 VLM      O      n/a    C      START
 VLM      C      O      CA     .
 VLM      NT     C      HNT1   .
 VLM      HNT2   NT     .      .
 VLM      HNT1   NT     .      .
 VLM      CA     C      CB     .
 VLM      HA     CA     .      .
 VLM      N      CA     H      .
 VLM      H2     N      .      .
 VLM      H      N      .      .
 VLM      CB     CA     CG1    .
 VLM      HB     CB     .      .
 VLM      CG2    CB     HG21   .
 VLM      HG23   CG2    .      .
 VLM      HG22   CG2    .      .
 VLM      HG21   CG2    .      .
 VLM      CG1    CB     HG11   .
 VLM      HG13   CG1    .      .
 VLM      HG12   CG1    .      .
 VLM      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
 VLM      N      CA        single      1.450    0.020
 VLM      H      N         single      1.010    0.020
 VLM      H2     N         single      1.010    0.020
 VLM      CA     C         single      1.500    0.020
 VLM      CB     CA        single      1.524    0.020
 VLM      HA     CA        single      1.099    0.020
 VLM      C      O         double      1.220    0.020
 VLM      NT     C         single      1.332    0.020
 VLM      CG1    CB        single      1.524    0.020
 VLM      CG2    CB        single      1.524    0.020
 VLM      HB     CB        single      1.099    0.020
 VLM      HG11   CG1       single      1.059    0.020
 VLM      HG12   CG1       single      1.059    0.020
 VLM      HG13   CG1       single      1.059    0.020
 VLM      HG21   CG2       single      1.059    0.020
 VLM      HG22   CG2       single      1.059    0.020
 VLM      HG23   CG2       single      1.059    0.020
 VLM      HNT1   NT        single      1.010    0.020
 VLM      HNT2   NT        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
 VLM      O      C      NT      123.000    3.000
 VLM      O      C      CA      120.500    3.000
 VLM      NT     C      CA      120.000    3.000
 VLM      C      NT     HNT2    120.000    3.000
 VLM      C      NT     HNT1    120.000    3.000
 VLM      HNT2   NT     HNT1    120.000    3.000
 VLM      C      CA     HA      108.810    3.000
 VLM      C      CA     N       109.470    3.000
 VLM      C      CA     CB      109.470    3.000
 VLM      HA     CA     N       109.470    3.000
 VLM      HA     CA     CB      108.340    3.000
 VLM      N      CA     CB      109.470    3.000
 VLM      CA     N      H2      120.000    3.000
 VLM      CA     N      H       120.000    3.000
 VLM      H2     N      H       120.000    3.000
 VLM      CA     CB     HB      108.340    3.000
 VLM      CA     CB     CG2     111.000    3.000
 VLM      CA     CB     CG1     111.000    3.000
 VLM      HB     CB     CG2     108.340    3.000
 VLM      HB     CB     CG1     108.340    3.000
 VLM      CG2    CB     CG1     111.000    3.000
 VLM      CB     CG2    HG23    109.470    3.000
 VLM      CB     CG2    HG22    109.470    3.000
 VLM      CB     CG2    HG21    109.470    3.000
 VLM      HG23   CG2    HG22    109.470    3.000
 VLM      HG23   CG2    HG21    109.470    3.000
 VLM      HG22   CG2    HG21    109.470    3.000
 VLM      CB     CG1    HG13    109.470    3.000
 VLM      CB     CG1    HG12    109.470    3.000
 VLM      CB     CG1    HG11    109.470    3.000
 VLM      HG13   CG1    HG12    109.470    3.000
 VLM      HG13   CG1    HG11    109.470    3.000
 VLM      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
 VLM      CONST_1  O      C      NT     HNT1     180.000    0.000   0
 VLM      var_1    O      C      CA     CB      -100.057   20.000   3
 VLM      var_2    C      CA     N      H        -59.982   20.000   1
 VLM      var_3    C      CA     CB     CG1       65.002   20.000   3
 VLM      var_4    CA     CB     CG2    HG21     -60.042   20.000   3
 VLM      var_5    CA     CB     CG1    HG11      59.981   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
 VLM      chir_01  CA     N      C      CB        negativ
 VLM      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
 VLM      plan-1    N         0.020
 VLM      plan-1    CA        0.020
 VLM      plan-1    H         0.020
 VLM      plan-1    H2        0.020
 VLM      plan-2    C         0.020
 VLM      plan-2    CA        0.020
 VLM      plan-2    O         0.020
 VLM      plan-2    NT        0.020
 VLM      plan-2    HNT2      0.020
 VLM      plan-2    HNT1      0.020
 VLM      plan-3    NT        0.020
 VLM      plan-3    C         0.020
 VLM      plan-3    HNT1      0.020
 VLM      plan-3    HNT2      0.020
# ------------------------------------------------------
