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
DMG      DMG 'N,N-DIMETHYLGLYCINE                 ' non-polymer        15   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DMG
#
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
 DMG           O      O    OC       -0.500      0.000    0.000    0.000
 DMG           C      C    C         0.000     -1.083   -0.235   -0.580
 DMG           OXT    O    OC       -0.500     -1.087   -0.564   -1.787
 DMG           CA     C    CH2       0.000     -2.382   -0.119    0.172
 DMG           HA1    H    H         0.000     -2.895   -1.083    0.162
 DMG           HA2    H    H         0.000     -3.013    0.632   -0.306
 DMG           N      N    NT        0.000     -2.111    0.278    1.560
 DMG           C5     C    CH3       0.000     -1.390   -0.837    2.186
 DMG           H53    H    H         0.000     -1.265   -0.642    3.219
 DMG           H52    H    H         0.000     -1.944   -1.731    2.060
 DMG           H51    H    H         0.000     -0.440   -0.944    1.729
 DMG           C4     C    CH3       0.000     -3.411    0.371    2.235
 DMG           H43    H    H         0.000     -4.012    1.094    1.746
 DMG           H42    H    H         0.000     -3.894   -0.571    2.202
 DMG           H41    H    H         0.000     -3.265    0.658    3.244
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
 DMG      O      n/a    C      START
 DMG      C      O      CA     .
 DMG      OXT    C      .      .
 DMG      CA     C      N      .
 DMG      HA1    CA     .      .
 DMG      HA2    CA     .      .
 DMG      N      CA     C4     .
 DMG      C5     N      H51    .
 DMG      H53    C5     .      .
 DMG      H52    C5     .      .
 DMG      H51    C5     .      .
 DMG      C4     N      H41    .
 DMG      H43    C4     .      .
 DMG      H42    C4     .      .
 DMG      H41    C4     .      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
 DMG      OXT    C         deloc       1.250    0.020
 DMG      C      O         deloc       1.250    0.020
 DMG      CA     C         single      1.510    0.020
 DMG      N      CA        single      1.469    0.020
 DMG      HA1    CA        single      1.092    0.020
 DMG      HA2    CA        single      1.092    0.020
 DMG      C4     N         single      1.469    0.020
 DMG      C5     N         single      1.469    0.020
 DMG      H41    C4        single      1.059    0.020
 DMG      H42    C4        single      1.059    0.020
 DMG      H43    C4        single      1.059    0.020
 DMG      H51    C5        single      1.059    0.020
 DMG      H52    C5        single      1.059    0.020
 DMG      H53    C5        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
 DMG      O      C      OXT     123.000    3.000
 DMG      O      C      CA      118.500    3.000
 DMG      OXT    C      CA      118.500    3.000
 DMG      C      CA     HA1     109.470    3.000
 DMG      C      CA     HA2     109.470    3.000
 DMG      C      CA     N       109.500    3.000
 DMG      HA1    CA     HA2     107.900    3.000
 DMG      HA1    CA     N       109.470    3.000
 DMG      HA2    CA     N       109.470    3.000
 DMG      CA     N      C5      109.470    3.000
 DMG      CA     N      C4      109.470    3.000
 DMG      C5     N      C4      109.470    3.000
 DMG      N      C5     H53     109.470    3.000
 DMG      N      C5     H52     109.470    3.000
 DMG      N      C5     H51     109.470    3.000
 DMG      H53    C5     H52     109.470    3.000
 DMG      H53    C5     H51     109.470    3.000
 DMG      H52    C5     H51     109.470    3.000
 DMG      N      C4     H43     109.470    3.000
 DMG      N      C4     H42     109.470    3.000
 DMG      N      C4     H41     109.470    3.000
 DMG      H43    C4     H42     109.470    3.000
 DMG      H43    C4     H41     109.470    3.000
 DMG      H42    C4     H41     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
 DMG      var_1    O      C      CA     N         -0.122   20.000   3
 DMG      var_2    C      CA     N      C4      -179.913   20.000   1
 DMG      var_3    CA     N      C5     H51       66.197   20.000   1
 DMG      var_4    CA     N      C4     H41     -179.959   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
 DMG      chir_01  N      CA     C4     C5        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
 DMG      plan-1    C         0.020
 DMG      plan-1    OXT       0.000
 DMG      plan-1    O         0.000
 DMG      plan-1    CA        0.000
# ------------------------------------------------------
