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
DIV      DIV 'D-ISOVALINE                         ' peptide            18   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DIV
#
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
 DIV           N      N    NH2       0.000      0.000    0.000    0.000
 DIV           HN1    H    H         0.000     -0.073    0.464   -0.896
 DIV           HN2    H    H         0.000      0.907   -0.116    0.433
 DIV           CA     C    CT        0.000     -1.207   -0.503    0.670
 DIV           CB2    C    CH3       0.000     -1.291    0.086    2.079
 DIV           HB23   H    H         0.000     -1.335    1.143    2.019
 DIV           HB22   H    H         0.000     -2.161   -0.275    2.563
 DIV           HB21   H    H         0.000     -0.434   -0.199    2.634
 DIV           CB1    C    CH2       0.000     -1.142   -2.030    0.759
 DIV           HB11   H    H         0.000     -1.084   -2.450   -0.247
 DIV           HB12   H    H         0.000     -2.040   -2.403    1.257
 DIV           CG1    C    CH3       0.000      0.095   -2.442    1.559
 DIV           HG13   H    H         0.000      0.040   -2.035    2.536
 DIV           HG12   H    H         0.000      0.144   -3.499    1.622
 DIV           HG11   H    H         0.000      0.968   -2.079    1.077
 DIV           C      C    C         0.000     -2.426   -0.097   -0.118
 DIV           O      O    OC       -0.500     -3.414   -0.862   -0.180
 DIV           OXT    O    OC       -0.500     -2.449    1.005   -0.711
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
 DIV      N      n/a    CA     START
 DIV      HN1    N      .      .
 DIV      HN2    N      .      .
 DIV      CA     N      C      .
 DIV      CB2    CA     HB21   .
 DIV      HB23   CB2    .      .
 DIV      HB22   CB2    .      .
 DIV      HB21   CB2    .      .
 DIV      CB1    CA     CG1    .
 DIV      HB11   CB1    .      .
 DIV      HB12   CB1    .      .
 DIV      CG1    CB1    HG11   .
 DIV      HG13   CG1    .      .
 DIV      HG12   CG1    .      .
 DIV      HG11   CG1    .      .
 DIV      C      CA     .      END
 DIV      O      C      .      .
 DIV      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
 DIV      CA     N         single      1.462    0.020
 DIV      CB1    CA        single      1.524    0.020
 DIV      CB2    CA        single      1.524    0.020
 DIV      C      CA        single      1.507    0.020
 DIV      CG1    CB1       single      1.513    0.020
 DIV      HB11   CB1       single      1.092    0.020
 DIV      HB12   CB1       single      1.092    0.020
 DIV      HG11   CG1       single      1.059    0.020
 DIV      HG12   CG1       single      1.059    0.020
 DIV      HG13   CG1       single      1.059    0.020
 DIV      HB21   CB2       single      1.059    0.020
 DIV      HB22   CB2       single      1.059    0.020
 DIV      HB23   CB2       single      1.059    0.020
 DIV      O      C         deloc       1.250    0.020
 DIV      OXT    C         deloc       1.250    0.020
 DIV      HN1    N         single      1.010    0.020
 DIV      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
 DIV      HN1    N      HN2     120.000    3.000
 DIV      HN1    N      CA      120.000    3.000
 DIV      HN2    N      CA      120.000    3.000
 DIV      N      CA     CB2     109.500    3.000
 DIV      N      CA     CB1     109.500    3.000
 DIV      N      CA     C       109.500    3.000
 DIV      CB2    CA     CB1     111.000    3.000
 DIV      CB2    CA     C       109.470    3.000
 DIV      CB1    CA     C       109.470    3.000
 DIV      CA     CB2    HB23    109.470    3.000
 DIV      CA     CB2    HB22    109.470    3.000
 DIV      CA     CB2    HB21    109.470    3.000
 DIV      HB23   CB2    HB22    109.470    3.000
 DIV      HB23   CB2    HB21    109.470    3.000
 DIV      HB22   CB2    HB21    109.470    3.000
 DIV      CA     CB1    HB11    109.470    3.000
 DIV      CA     CB1    HB12    109.470    3.000
 DIV      CA     CB1    CG1     111.000    3.000
 DIV      HB11   CB1    HB12    107.900    3.000
 DIV      HB11   CB1    CG1     109.470    3.000
 DIV      HB12   CB1    CG1     109.470    3.000
 DIV      CB1    CG1    HG13    109.470    3.000
 DIV      CB1    CG1    HG12    109.470    3.000
 DIV      CB1    CG1    HG11    109.470    3.000
 DIV      HG13   CG1    HG12    109.470    3.000
 DIV      HG13   CG1    HG11    109.470    3.000
 DIV      HG12   CG1    HG11    109.470    3.000
 DIV      CA     C      O       118.500    3.000
 DIV      CA     C      OXT     118.500    3.000
 DIV      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
 DIV      var_1    HN2    N      CA     C        175.000   20.000   1
 DIV      var_2    N      CA     CB2    HB21     -60.003   20.000   1
 DIV      var_3    N      CA     CB1    CG1       59.943   20.000   1
 DIV      var_4    CA     CB1    CG1    HG11     -59.953   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
 DIV      chir_01  CA     N      CB1    CB2       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
 DIV      plan-1    N         0.020
 DIV      plan-1    CA        0.020
 DIV      plan-1    HN1       0.020
 DIV      plan-1    HN2       0.020
 DIV      plan-2    C         0.020
 DIV      plan-2    CA        0.020
 DIV      plan-2    O         0.020
 DIV      plan-2    OXT       0.020
# ------------------------------------------------------
