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
DTG      DTG 'DES-AMINO T-BUTYL GLYCINE           ' non-polymer        19   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DTG
#
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
 DTG           OXT    O    OC       -0.500      0.000    0.000    0.000
 DTG           C      C    C         0.000     -0.622    1.023   -0.362
 DTG           O      O    OC       -0.500     -0.113    1.919   -1.070
 DTG           CA     C    CH2       0.000     -2.043    1.061    0.155
 DTG           HA1    H    H         0.000     -2.278    2.109    0.353
 DTG           HA2    H    H         0.000     -2.051    0.505    1.095
 DTG           CB     C    CT        0.000     -3.096    0.468   -0.806
 DTG           CG3    C    CH3       0.000     -3.072    1.186   -2.166
 DTG           H33    H    H         0.000     -2.089    1.164   -2.563
 DTG           H32    H    H         0.000     -3.732    0.700   -2.837
 DTG           H31    H    H         0.000     -3.377    2.194   -2.042
 DTG           CG2    C    CH3       0.000     -2.754   -1.017   -1.034
 DTG           H23    H    H         0.000     -1.786   -1.100   -1.458
 DTG           H22    H    H         0.000     -2.776   -1.534   -0.108
 DTG           H21    H    H         0.000     -3.463   -1.449   -1.693
 DTG           CG1    C    CH3       0.000     -4.509    0.557   -0.209
 DTG           H13    H    H         0.000     -5.197    0.063   -0.847
 DTG           H12    H    H         0.000     -4.523    0.097    0.745
 DTG           H11    H    H         0.000     -4.791    1.575   -0.112
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
 DTG      OXT    n/a    C      START
 DTG      C      OXT    CA     .
 DTG      O      C      .      .
 DTG      CA     C      CB     .
 DTG      HA1    CA     .      .
 DTG      HA2    CA     .      .
 DTG      CB     CA     CG1    .
 DTG      CG3    CB     H31    .
 DTG      H33    CG3    .      .
 DTG      H32    CG3    .      .
 DTG      H31    CG3    .      .
 DTG      CG2    CB     H21    .
 DTG      H23    CG2    .      .
 DTG      H22    CG2    .      .
 DTG      H21    CG2    .      .
 DTG      CG1    CB     H11    .
 DTG      H13    CG1    .      .
 DTG      H12    CG1    .      .
 DTG      H11    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
 DTG      CB     CA        single      1.524    0.020
 DTG      CA     C         single      1.510    0.020
 DTG      HA1    CA        single      1.092    0.020
 DTG      HA2    CA        single      1.092    0.020
 DTG      CG1    CB        single      1.524    0.020
 DTG      CG2    CB        single      1.524    0.020
 DTG      CG3    CB        single      1.524    0.020
 DTG      H11    CG1       single      1.059    0.020
 DTG      H12    CG1       single      1.059    0.020
 DTG      H13    CG1       single      1.059    0.020
 DTG      H21    CG2       single      1.059    0.020
 DTG      H22    CG2       single      1.059    0.020
 DTG      H23    CG2       single      1.059    0.020
 DTG      H31    CG3       single      1.059    0.020
 DTG      H32    CG3       single      1.059    0.020
 DTG      H33    CG3       single      1.059    0.020
 DTG      O      C         deloc       1.250    0.020
 DTG      C      OXT       deloc       1.250    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
 DTG      OXT    C      O       123.000    3.000
 DTG      OXT    C      CA      118.500    3.000
 DTG      O      C      CA      118.500    3.000
 DTG      C      CA     HA1     109.470    3.000
 DTG      C      CA     HA2     109.470    3.000
 DTG      C      CA     CB      109.470    3.000
 DTG      HA1    CA     HA2     107.900    3.000
 DTG      HA1    CA     CB      109.470    3.000
 DTG      HA2    CA     CB      109.470    3.000
 DTG      CA     CB     CG3     111.000    3.000
 DTG      CA     CB     CG2     111.000    3.000
 DTG      CA     CB     CG1     111.000    3.000
 DTG      CG3    CB     CG2     111.000    3.000
 DTG      CG3    CB     CG1     111.000    3.000
 DTG      CG2    CB     CG1     111.000    3.000
 DTG      CB     CG3    H33     109.470    3.000
 DTG      CB     CG3    H32     109.470    3.000
 DTG      CB     CG3    H31     109.470    3.000
 DTG      H33    CG3    H32     109.470    3.000
 DTG      H33    CG3    H31     109.470    3.000
 DTG      H32    CG3    H31     109.470    3.000
 DTG      CB     CG2    H23     109.470    3.000
 DTG      CB     CG2    H22     109.470    3.000
 DTG      CB     CG2    H21     109.470    3.000
 DTG      H23    CG2    H22     109.470    3.000
 DTG      H23    CG2    H21     109.470    3.000
 DTG      H22    CG2    H21     109.470    3.000
 DTG      CB     CG1    H13     109.470    3.000
 DTG      CB     CG1    H12     109.470    3.000
 DTG      CB     CG1    H11     109.470    3.000
 DTG      H13    CG1    H12     109.470    3.000
 DTG      H13    CG1    H11     109.470    3.000
 DTG      H12    CG1    H11     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
 DTG      var_1    OXT    C      CA     CB       -92.903   20.000   3
 DTG      var_2    C      CA     CB     CG1     -179.513   20.000   1
 DTG      var_3    CA     CB     CG3    H31      -65.592   20.000   1
 DTG      var_4    CA     CB     CG2    H21     -179.947   20.000   1
 DTG      var_5    CA     CB     CG1    H11       65.305   20.000   1
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
 DTG      chir_01  CB     CA     CG1    CG2       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
 DTG      plan-1    C         0.020
 DTG      plan-1    CA        0.000
 DTG      plan-1    O         0.000
 DTG      plan-1    OXT       0.000
# ------------------------------------------------------
