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
MMO      MMO 'N~5~-(DIAMINOMETHYLENE)-N~2~-METHYLO' non-polymer        28  13 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MMO
#
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
 MMO           OXT    O    OC       -0.500      0.000    0.000    0.000
 MMO           C      C    C         0.000      0.377   -0.534   -1.067
 MMO           O      O    OC       -0.500      0.313    0.044   -2.174
 MMO           CA     C    CH1       0.000      0.879   -1.950   -0.849
 MMO           HA     H    H         0.000      0.076   -2.563   -0.417
 MMO           N      N    NH1       0.000      1.225   -2.461   -2.173
 MMO           H      H    H         0.000      1.125   -1.941   -3.033
 MMO           CN     C    CH3       0.000      1.734   -3.822   -2.084
 MMO           HC3    H    H         0.000      1.786   -4.244   -3.055
 MMO           HC2    H    H         0.000      2.701   -3.811   -1.653
 MMO           HC1    H    H         0.000      1.086   -4.404   -1.482
 MMO           CB     C    CH2       0.000      2.112   -1.998    0.067
 MMO           HCB1   H    H         0.000      2.397   -3.044    0.196
 MMO           HCB2   H    H         0.000      1.831   -1.576    1.034
 MMO           CG     C    CH2       0.000      3.296   -1.210   -0.513
 MMO           HCG1   H    H         0.000      2.982   -0.171   -0.633
 MMO           HCG2   H    H         0.000      3.534   -1.633   -1.491
 MMO           CD     C    CH2       0.000      4.529   -1.270    0.383
 MMO           HCD1   H    H         0.000      5.344   -0.721   -0.092
 MMO           HCD2   H    H         0.000      4.824   -2.313    0.517
 MMO           NE     N    N         0.000      4.229   -0.674    1.686
 MMO           CZ     C    C         0.000      5.203   -0.616    2.539
 MMO           NH1    N    NH2       0.000      6.500   -1.049    2.373
 MMO           HH12   H    H         0.000      6.800   -1.476    1.498
 MMO           HH11   H    H         0.000      7.183   -0.949    3.122
 MMO           NH2    N    NH2       0.000      5.003   -0.069    3.785
 MMO           HH22   H    H         0.000      5.763   -0.020    4.461
 MMO           HH21   H    H         0.000      4.091    0.296    4.054
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
 MMO      OXT    n/a    C      START
 MMO      C      OXT    CA     .
 MMO      O      C      .      .
 MMO      CA     C      CB     .
 MMO      HA     CA     .      .
 MMO      N      CA     CN     .
 MMO      H      N      .      .
 MMO      CN     N      HC1    .
 MMO      HC3    CN     .      .
 MMO      HC2    CN     .      .
 MMO      HC1    CN     .      .
 MMO      CB     CA     CG     .
 MMO      HCB1   CB     .      .
 MMO      HCB2   CB     .      .
 MMO      CG     CB     CD     .
 MMO      HCG1   CG     .      .
 MMO      HCG2   CG     .      .
 MMO      CD     CG     NE     .
 MMO      HCD1   CD     .      .
 MMO      HCD2   CD     .      .
 MMO      NE     CD     CZ     .
 MMO      CZ     NE     NH2    .
 MMO      NH1    CZ     HH11   .
 MMO      HH12   NH1    .      .
 MMO      HH11   NH1    .      .
 MMO      NH2    CZ     HH21   .
 MMO      HH22   NH2    .      .
 MMO      HH21   NH2    .      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
 MMO      N      CA        single      1.450    0.020
 MMO      CN     N         single      1.450    0.020
 MMO      H      N         single      1.010    0.020
 MMO      CA     C         single      1.500    0.020
 MMO      CB     CA        single      1.524    0.020
 MMO      HA     CA        single      1.099    0.020
 MMO      O      C         deloc       1.250    0.020
 MMO      C      OXT       deloc       1.250    0.020
 MMO      CG     CB        single      1.524    0.020
 MMO      HCB1   CB        single      1.092    0.020
 MMO      HCB2   CB        single      1.092    0.020
 MMO      CD     CG        single      1.524    0.020
 MMO      HCG1   CG        single      1.092    0.020
 MMO      HCG2   CG        single      1.092    0.020
 MMO      NE     CD        single      1.455    0.020
 MMO      HCD1   CD        single      1.092    0.020
 MMO      HCD2   CD        single      1.092    0.020
 MMO      CZ     NE        double      1.260    0.020
 MMO      NH2    CZ        single      1.332    0.020
 MMO      NH1    CZ        single      1.332    0.020
 MMO      HH21   NH2       single      1.010    0.020
 MMO      HH22   NH2       single      1.010    0.020
 MMO      HH11   NH1       single      1.010    0.020
 MMO      HH12   NH1       single      1.010    0.020
 MMO      HC1    CN        single      1.059    0.020
 MMO      HC2    CN        single      1.059    0.020
 MMO      HC3    CN        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
 MMO      OXT    C      O       123.000    3.000
 MMO      OXT    C      CA      118.500    3.000
 MMO      O      C      CA      118.500    3.000
 MMO      C      CA     HA      108.810    3.000
 MMO      C      CA     N       111.600    3.000
 MMO      C      CA     CB      109.470    3.000
 MMO      HA     CA     N       108.550    3.000
 MMO      HA     CA     CB      108.340    3.000
 MMO      N      CA     CB      110.000    3.000
 MMO      CA     N      H       118.500    3.000
 MMO      CA     N      CN      120.000    3.000
 MMO      H      N      CN      118.500    3.000
 MMO      N      CN     HC3     109.470    3.000
 MMO      N      CN     HC2     109.470    3.000
 MMO      N      CN     HC1     109.470    3.000
 MMO      HC3    CN     HC2     109.470    3.000
 MMO      HC3    CN     HC1     109.470    3.000
 MMO      HC2    CN     HC1     109.470    3.000
 MMO      CA     CB     HCB1    109.470    3.000
 MMO      CA     CB     HCB2    109.470    3.000
 MMO      CA     CB     CG      111.000    3.000
 MMO      HCB1   CB     HCB2    107.900    3.000
 MMO      HCB1   CB     CG      109.470    3.000
 MMO      HCB2   CB     CG      109.470    3.000
 MMO      CB     CG     HCG1    109.470    3.000
 MMO      CB     CG     HCG2    109.470    3.000
 MMO      CB     CG     CD      111.000    3.000
 MMO      HCG1   CG     HCG2    107.900    3.000
 MMO      HCG1   CG     CD      109.470    3.000
 MMO      HCG2   CG     CD      109.470    3.000
 MMO      CG     CD     HCD1    109.470    3.000
 MMO      CG     CD     HCD2    109.470    3.000
 MMO      CG     CD     NE      105.000    3.000
 MMO      HCD1   CD     HCD2    107.900    3.000
 MMO      HCD1   CD     NE      109.470    3.000
 MMO      HCD2   CD     NE      109.470    3.000
 MMO      CD     NE     CZ      127.000    3.000
 MMO      NE     CZ     NH1     120.000    3.000
 MMO      NE     CZ     NH2     120.000    3.000
 MMO      NH1    CZ     NH2     120.000    3.000
 MMO      CZ     NH1    HH12    120.000    3.000
 MMO      CZ     NH1    HH11    120.000    3.000
 MMO      HH12   NH1    HH11    120.000    3.000
 MMO      CZ     NH2    HH22    120.000    3.000
 MMO      CZ     NH2    HH21    120.000    3.000
 MMO      HH22   NH2    HH21    120.000    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
 MMO      var_1    OXT    C      CA     CB       -62.453   20.000   3
 MMO      var_2    C      CA     N      CN       179.556   20.000   3
 MMO      var_3    CA     N      CN     HC1       48.207   20.000   1
 MMO      var_4    C      CA     CB     CG       -60.605   20.000   3
 MMO      var_5    CA     CB     CG     CD      -179.181   20.000   3
 MMO      var_6    CB     CG     CD     NE       -61.466   20.000   3
 MMO      var_7    CG     CD     NE     CZ      -177.790   20.000   1
 MMO      CONST_1  CD     NE     CZ     NH2      180.000    0.000   0
 MMO      CONST_2  NE     CZ     NH1    HH11     180.000    0.000   0
 MMO      CONST_3  NE     CZ     NH2    HH21       0.000    0.000   0
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
 MMO      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
 MMO      plan-1    N         0.020
 MMO      plan-1    CA        0.020
 MMO      plan-1    CN        0.020
 MMO      plan-1    H         0.020
 MMO      plan-2    C         0.020
 MMO      plan-2    CA        0.020
 MMO      plan-2    O         0.020
 MMO      plan-2    OXT       0.020
 MMO      plan-3    NE        0.020
 MMO      plan-3    CD        0.020
 MMO      plan-3    CZ        0.020
 MMO      plan-3    NH2       0.020
 MMO      plan-3    NH1       0.020
 MMO      plan-3    HH22      0.020
 MMO      plan-3    HH21      0.020
 MMO      plan-3    HH12      0.020
 MMO      plan-3    HH11      0.020
 MMO      plan-4    NH2       0.020
 MMO      plan-4    CZ        0.020
 MMO      plan-4    HH21      0.020
 MMO      plan-4    HH22      0.020
 MMO      plan-5    NH1       0.020
 MMO      plan-5    CZ        0.020
 MMO      plan-5    HH11      0.020
 MMO      plan-5    HH12      0.020
# ------------------------------------------------------
