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
DMH      DMH 'N4,N4-DIMETHYL-ASPARAGINE           ' peptide            22  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DMH
#
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
 DMH           N      N    NH2       0.000      0.000    0.000    0.000
 DMH           HN1    H    H         0.000      0.983   -0.166    0.180
 DMH           HN2    H    H         0.000     -0.385   -0.231   -0.908
 DMH           CA     C    CH1       0.000     -0.859    0.570    1.046
 DMH           HA1    H    H         0.000     -1.213    1.561    0.729
 DMH           CB     C    CH2       0.000     -2.059   -0.350    1.279
 DMH           HB2    H    H         0.000     -2.696    0.075    2.057
 DMH           HB3    H    H         0.000     -1.706   -1.333    1.596
 DMH           CG     C    C         0.000     -2.844   -0.484    0.002
 DMH           OD1    O    O         0.000     -2.481    0.100   -0.997
 DMH           ND2    N    N         0.000     -3.951   -1.251   -0.031
 DMH           CE2    C    CH3       0.000     -4.390   -1.956    1.175
 DMH           HE23   H    H         0.000     -5.364   -1.634    1.441
 DMH           HE22   H    H         0.000     -4.404   -3.000    0.992
 DMH           HE21   H    H         0.000     -3.722   -1.748    1.971
 DMH           CE1    C    CH3       0.000     -4.716   -1.382   -1.274
 DMH           HE13   H    H         0.000     -5.058   -0.428   -1.583
 DMH           HE12   H    H         0.000     -4.098   -1.795   -2.030
 DMH           HE11   H    H         0.000     -5.548   -2.019   -1.114
 DMH           C      C    C         0.000     -0.072    0.704    2.324
 DMH           O      O    OC       -0.500      0.857   -0.096    2.574
 DMH           OXT    O    OC       -0.500     -0.347    1.615    3.136
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
 DMH      N      n/a    CA     START
 DMH      HN1    N      .      .
 DMH      HN2    N      .      .
 DMH      CA     N      C      .
 DMH      HA1    CA     .      .
 DMH      CB     CA     CG     .
 DMH      HB2    CB     .      .
 DMH      HB3    CB     .      .
 DMH      CG     CB     ND2    .
 DMH      OD1    CG     .      .
 DMH      ND2    CG     CE1    .
 DMH      CE2    ND2    HE21   .
 DMH      HE23   CE2    .      .
 DMH      HE22   CE2    .      .
 DMH      HE21   CE2    .      .
 DMH      CE1    ND2    HE11   .
 DMH      HE13   CE1    .      .
 DMH      HE12   CE1    .      .
 DMH      HE11   CE1    .      .
 DMH      C      CA     .      END
 DMH      O      C      .      .
 DMH      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
 DMH      CA     N         single      1.450    0.020
 DMH      CB     CA        single      1.524    0.020
 DMH      C      CA        single      1.500    0.020
 DMH      HA1    CA        single      1.099    0.020
 DMH      CG     CB        single      1.510    0.020
 DMH      HB2    CB        single      1.092    0.020
 DMH      HB3    CB        single      1.092    0.020
 DMH      OD1    CG        double      1.220    0.020
 DMH      ND2    CG        single      1.330    0.020
 DMH      CE1    ND2       single      1.455    0.020
 DMH      CE2    ND2       single      1.455    0.020
 DMH      HE11   CE1       single      1.059    0.020
 DMH      HE12   CE1       single      1.059    0.020
 DMH      HE13   CE1       single      1.059    0.020
 DMH      HE21   CE2       single      1.059    0.020
 DMH      HE22   CE2       single      1.059    0.020
 DMH      HE23   CE2       single      1.059    0.020
 DMH      O      C         deloc       1.250    0.020
 DMH      OXT    C         deloc       1.250    0.020
 DMH      HN1    N         single      1.010    0.020
 DMH      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
 DMH      HN1    N      HN2     120.000    3.000
 DMH      HN1    N      CA      120.000    3.000
 DMH      HN2    N      CA      120.000    3.000
 DMH      N      CA     HA1     109.470    3.000
 DMH      N      CA     CB      109.470    3.000
 DMH      N      CA     C       109.470    3.000
 DMH      HA1    CA     CB      108.340    3.000
 DMH      HA1    CA     C       108.810    3.000
 DMH      CB     CA     C       109.470    3.000
 DMH      CA     CB     HB2     109.470    3.000
 DMH      CA     CB     HB3     109.470    3.000
 DMH      CA     CB     CG      109.470    3.000
 DMH      HB2    CB     HB3     107.900    3.000
 DMH      HB2    CB     CG      109.470    3.000
 DMH      HB3    CB     CG      109.470    3.000
 DMH      CB     CG     OD1     120.500    3.000
 DMH      CB     CG     ND2     116.500    3.000
 DMH      OD1    CG     ND2     123.000    3.000
 DMH      CG     ND2    CE2     127.000    3.000
 DMH      CG     ND2    CE1     127.000    3.000
 DMH      CE2    ND2    CE1     120.000    3.000
 DMH      ND2    CE2    HE23    109.470    3.000
 DMH      ND2    CE2    HE22    109.470    3.000
 DMH      ND2    CE2    HE21    109.470    3.000
 DMH      HE23   CE2    HE22    109.470    3.000
 DMH      HE23   CE2    HE21    109.470    3.000
 DMH      HE22   CE2    HE21    109.470    3.000
 DMH      ND2    CE1    HE13    109.470    3.000
 DMH      ND2    CE1    HE12    109.470    3.000
 DMH      ND2    CE1    HE11    109.470    3.000
 DMH      HE13   CE1    HE12    109.470    3.000
 DMH      HE13   CE1    HE11    109.470    3.000
 DMH      HE12   CE1    HE11    109.470    3.000
 DMH      CA     C      O       118.500    3.000
 DMH      CA     C      OXT     118.500    3.000
 DMH      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
 DMH      var_1    HN2    N      CA     C        175.000   20.000   1
 DMH      var_2    N      CA     CB     CG       -59.931   20.000   3
 DMH      var_3    CA     CB     CG     ND2      179.994   20.000   3
 DMH      CONST_1  CB     CG     ND2    CE1      180.000    0.000   0
 DMH      var_4    CG     ND2    CE2    HE21      -0.008   20.000   1
 DMH      var_5    CG     ND2    CE1    HE11    -179.984   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
 DMH      chir_01  CA     N      CB     C         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
 DMH      plan-1    N         0.020
 DMH      plan-1    CA        0.020
 DMH      plan-1    HN1       0.020
 DMH      plan-1    HN2       0.020
 DMH      plan-2    CG        0.020
 DMH      plan-2    CB        0.020
 DMH      plan-2    OD1       0.020
 DMH      plan-2    ND2       0.020
 DMH      plan-3    ND2       0.020
 DMH      plan-3    CG        0.020
 DMH      plan-3    CE1       0.020
 DMH      plan-3    CE2       0.020
 DMH      plan-4    C         0.020
 DMH      plan-4    CA        0.020
 DMH      plan-4    O         0.020
 DMH      plan-4    OXT       0.020
# ------------------------------------------------------
