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
MME      MME 'N-METHYL METHIONINE                 ' non-polymer        22  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MME
#
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
 MME           OXT    O    OC       -0.500      0.000    0.000    0.000
 MME           C      C    C         0.000     -0.903    0.865   -0.053
 MME           O      O    OC       -0.500     -0.869    1.851    0.715
 MME           CA     C    CH1       0.000     -2.029    0.717   -1.043
 MME           HA     H    H         0.000     -2.388    1.713   -1.339
 MME           N      N    NH1       0.000     -1.548   -0.002   -2.229
 MME           H      H    H         0.000     -1.560   -1.001   -2.374
 MME           CM     C    CH3       0.000     -1.046    1.013   -3.165
 MME           HM3    H    H         0.000     -1.829    1.681   -3.423
 MME           HM2    H    H         0.000     -0.257    1.559   -2.711
 MME           HM1    H    H         0.000     -0.684    0.542   -4.043
 MME           CB     C    CH2       0.000     -3.174   -0.066   -0.401
 MME           HB2    H    H         0.000     -3.530    0.469    0.482
 MME           HB3    H    H         0.000     -2.816   -1.055   -0.105
 MME           CG     C    CH2       0.000     -4.317   -0.216   -1.405
 MME           HG2    H    H         0.000     -3.958   -0.750   -2.287
 MME           HG3    H    H         0.000     -4.673    0.774   -1.700
 MME           SD     S    S2        0.000     -5.675   -1.145   -0.644
 MME           CE     C    CH3       0.000     -6.854   -1.168   -2.021
 MME           HE3    H    H         0.000     -7.115   -0.175   -2.292
 MME           HE2    H    H         0.000     -6.422   -1.653   -2.862
 MME           HE1    H    H         0.000     -7.734   -1.690   -1.737
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
 MME      OXT    n/a    C      START
 MME      C      OXT    CA     .
 MME      O      C      .      .
 MME      CA     C      CB     .
 MME      HA     CA     .      .
 MME      N      CA     CM     .
 MME      H      N      .      .
 MME      CM     N      HM1    .
 MME      HM3    CM     .      .
 MME      HM2    CM     .      .
 MME      HM1    CM     .      .
 MME      CB     CA     CG     .
 MME      HB2    CB     .      .
 MME      HB3    CB     .      .
 MME      CG     CB     SD     .
 MME      HG2    CG     .      .
 MME      HG3    CG     .      .
 MME      SD     CG     CE     .
 MME      CE     SD     HE1    .
 MME      HE3    CE     .      .
 MME      HE2    CE     .      .
 MME      HE1    CE     .      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
 MME      N      CA        single      1.450    0.020
 MME      CM     N         single      1.450    0.020
 MME      H      N         single      1.010    0.020
 MME      CA     C         single      1.500    0.020
 MME      CB     CA        single      1.524    0.020
 MME      HA     CA        single      1.099    0.020
 MME      O      C         deloc       1.250    0.020
 MME      C      OXT       deloc       1.250    0.020
 MME      CG     CB        single      1.524    0.020
 MME      HB2    CB        single      1.092    0.020
 MME      HB3    CB        single      1.092    0.020
 MME      SD     CG        single      1.762    0.020
 MME      HG2    CG        single      1.092    0.020
 MME      HG3    CG        single      1.092    0.020
 MME      CE     SD        single      1.762    0.020
 MME      HE1    CE        single      1.059    0.020
 MME      HE2    CE        single      1.059    0.020
 MME      HE3    CE        single      1.059    0.020
 MME      HM1    CM        single      1.059    0.020
 MME      HM2    CM        single      1.059    0.020
 MME      HM3    CM        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
 MME      OXT    C      O       123.000    3.000
 MME      OXT    C      CA      118.500    3.000
 MME      O      C      CA      118.500    3.000
 MME      C      CA     HA      108.810    3.000
 MME      C      CA     N       111.600    3.000
 MME      C      CA     CB      109.470    3.000
 MME      HA     CA     N       108.550    3.000
 MME      HA     CA     CB      108.340    3.000
 MME      N      CA     CB      110.000    3.000
 MME      CA     N      H       118.500    3.000
 MME      CA     N      CM      120.000    3.000
 MME      H      N      CM      118.500    3.000
 MME      N      CM     HM3     109.470    3.000
 MME      N      CM     HM2     109.470    3.000
 MME      N      CM     HM1     109.470    3.000
 MME      HM3    CM     HM2     109.470    3.000
 MME      HM3    CM     HM1     109.470    3.000
 MME      HM2    CM     HM1     109.470    3.000
 MME      CA     CB     HB2     109.470    3.000
 MME      CA     CB     HB3     109.470    3.000
 MME      CA     CB     CG      111.000    3.000
 MME      HB2    CB     HB3     107.900    3.000
 MME      HB2    CB     CG      109.470    3.000
 MME      HB3    CB     CG      109.470    3.000
 MME      CB     CG     HG2     109.470    3.000
 MME      CB     CG     HG3     109.470    3.000
 MME      CB     CG     SD      109.500    3.000
 MME      HG2    CG     HG3     107.900    3.000
 MME      HG2    CG     SD      109.500    3.000
 MME      HG3    CG     SD      109.500    3.000
 MME      CG     SD     CE      100.059    3.000
 MME      SD     CE     HE3     109.500    3.000
 MME      SD     CE     HE2     109.500    3.000
 MME      SD     CE     HE1     109.500    3.000
 MME      HE3    CE     HE2     109.470    3.000
 MME      HE3    CE     HE1     109.470    3.000
 MME      HE2    CE     HE1     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
 MME      var_1    OXT    C      CA     CB        90.076   20.000   3
 MME      var_2    C      CA     N      CM       -89.937   20.000   3
 MME      var_3    CA     N      CM     HM1      179.961   20.000   1
 MME      var_4    C      CA     CB     CG       179.983   20.000   3
 MME      var_5    CA     CB     CG     SD       179.978   20.000   3
 MME      var_6    CB     CG     SD     CE      -179.986   20.000   1
 MME      var_7    CG     SD     CE     HE1     -179.990   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
 MME      chir_01  CA     N      C      CB        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
 MME      plan-1    N         0.020
 MME      plan-1    CA        0.020
 MME      plan-1    CM        0.020
 MME      plan-1    H         0.020
 MME      plan-2    C         0.020
 MME      plan-2    CA        0.020
 MME      plan-2    O         0.020
 MME      plan-2    OXT       0.020
# ------------------------------------------------------
