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
DMN      DMN 'DIMETHYLAMINE                       ' non-polymer        10   3 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DMN
#
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
 DMN           C3     C    CH3       0.000      0.000    0.000    0.000
 DMN           H31    H    H         0.000      1.057   -0.084    0.034
 DMN           H32    H    H         0.000     -0.393   -0.778   -0.604
 DMN           H33    H    H         0.000     -0.263    0.937   -0.422
 DMN           N1     N    NH1       0.000     -0.548   -0.102    1.358
 DMN           HN1    H    H         0.000     -0.023   -0.232    2.211
 DMN           C2     C    CH3       0.000     -2.006    0.020    1.236
 DMN           H23    H    H         0.000     -2.250    0.957    0.803
 DMN           H22    H    H         0.000     -2.380   -0.758    0.621
 DMN           H21    H    H         0.000     -2.451   -0.048    2.196
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
 DMN      C3     n/a    N1     START
 DMN      H31    C3     .      .
 DMN      H32    C3     .      .
 DMN      H33    C3     .      .
 DMN      N1     C3     C2     .
 DMN      HN1    N1     .      .
 DMN      C2     N1     H21    .
 DMN      H23    C2     .      .
 DMN      H22    C2     .      .
 DMN      H21    C2     .      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
 DMN      C2     N1        single      1.450    0.020
 DMN      N1     C3        single      1.450    0.020
 DMN      HN1    N1        single      1.010    0.020
 DMN      H21    C2        single      1.059    0.020
 DMN      H22    C2        single      1.059    0.020
 DMN      H23    C2        single      1.059    0.020
 DMN      H31    C3        single      1.059    0.020
 DMN      H32    C3        single      1.059    0.020
 DMN      H33    C3        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
 DMN      H31    C3     H32     109.470    3.000
 DMN      H31    C3     H33     109.470    3.000
 DMN      H32    C3     H33     109.470    3.000
 DMN      H31    C3     N1      109.470    3.000
 DMN      H32    C3     N1      109.470    3.000
 DMN      H33    C3     N1      109.470    3.000
 DMN      C3     N1     HN1     118.500    3.000
 DMN      C3     N1     C2      120.000    3.000
 DMN      HN1    N1     C2      118.500    3.000
 DMN      N1     C2     H23     109.470    3.000
 DMN      N1     C2     H22     109.470    3.000
 DMN      N1     C2     H21     109.470    3.000
 DMN      H23    C2     H22     109.470    3.000
 DMN      H23    C2     H21     109.470    3.000
 DMN      H22    C2     H21     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
 DMN      var_1    H33    C3     N1     C2        60.027   20.000   1
 DMN      var_2    C3     N1     C2     H21      179.990   20.000   1
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
 DMN      plan-1    N1        0.020
 DMN      plan-1    C2        0.000
 DMN      plan-1    C3        0.000
 DMN      plan-1    HN1       0.000
# ------------------------------------------------------
