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
ZZJ      ZZJ 'N^2^-methyl-L-alaninamide           ' non-polymer        17   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZZJ
#
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
 ZZJ           O      O    O         0.000      0.000    0.000    0.000
 ZZJ           C      C    C         0.000     -1.204   -0.106   -0.111
 ZZJ           NXT    N    NH2       0.000     -1.804    0.224   -1.273
 ZZJ           HXT2   H    H         0.000     -1.255    0.561   -2.055
 ZZJ           HXT1   H    H         0.000     -2.809    0.138   -1.371
 ZZJ           CA     C    CH1       0.000     -2.027   -0.606    1.047
 ZZJ           HA     H    H         0.000     -2.556   -1.523    0.751
 ZZJ           CB     C    CH3       0.000     -3.045    0.464    1.448
 ZZJ           HB3C   H    H         0.000     -2.536    1.348    1.733
 ZZJ           HB2C   H    H         0.000     -3.682    0.673    0.627
 ZZJ           HB1C   H    H         0.000     -3.625    0.114    2.262
 ZZJ           N      N    NH1       0.000     -1.145   -0.895    2.185
 ZZJ           H      H    H         0.000     -0.244   -0.465    2.335
 ZZJ           CM     C    CH3       0.000     -1.749   -1.894    3.078
 ZZJ           HM3C   H    H         0.000     -2.673   -1.529    3.449
 ZZJ           HM2C   H    H         0.000     -1.918   -2.795    2.544
 ZZJ           HM1C   H    H         0.000     -1.097   -2.087    3.891
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
 ZZJ      O      n/a    C      START
 ZZJ      C      O      CA     .
 ZZJ      NXT    C      HXT1   .
 ZZJ      HXT2   NXT    .      .
 ZZJ      HXT1   NXT    .      .
 ZZJ      CA     C      N      .
 ZZJ      HA     CA     .      .
 ZZJ      CB     CA     HB1C   .
 ZZJ      HB3C   CB     .      .
 ZZJ      HB2C   CB     .      .
 ZZJ      HB1C   CB     .      .
 ZZJ      N      CA     CM     .
 ZZJ      H      N      .      .
 ZZJ      CM     N      HM1C   .
 ZZJ      HM3C   CM     .      .
 ZZJ      HM2C   CM     .      .
 ZZJ      HM1C   CM     .      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
 ZZJ      N      CA        single      1.450    0.020
 ZZJ      CM     N         single      1.450    0.020
 ZZJ      CA     C         single      1.500    0.020
 ZZJ      CB     CA        single      1.524    0.020
 ZZJ      C      O         double      1.220    0.020
 ZZJ      NXT    C         single      1.332    0.020
 ZZJ      H      N         single      1.010    0.020
 ZZJ      HA     CA        single      1.099    0.020
 ZZJ      HM1C   CM        single      1.059    0.020
 ZZJ      HM2C   CM        single      1.059    0.020
 ZZJ      HM3C   CM        single      1.059    0.020
 ZZJ      HB1C   CB        single      1.059    0.020
 ZZJ      HB2C   CB        single      1.059    0.020
 ZZJ      HB3C   CB        single      1.059    0.020
 ZZJ      HXT1   NXT       single      1.010    0.020
 ZZJ      HXT2   NXT       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
 ZZJ      O      C      NXT     123.000    3.000
 ZZJ      O      C      CA      120.500    3.000
 ZZJ      NXT    C      CA      120.000    3.000
 ZZJ      C      NXT    HXT2    120.000    3.000
 ZZJ      C      NXT    HXT1    120.000    3.000
 ZZJ      HXT2   NXT    HXT1    120.000    3.000
 ZZJ      C      CA     HA      108.810    3.000
 ZZJ      C      CA     CB      109.470    3.000
 ZZJ      C      CA     N       111.600    3.000
 ZZJ      HA     CA     CB      108.340    3.000
 ZZJ      HA     CA     N       108.550    3.000
 ZZJ      CB     CA     N       110.000    3.000
 ZZJ      CA     CB     HB3C    109.470    3.000
 ZZJ      CA     CB     HB2C    109.470    3.000
 ZZJ      CA     CB     HB1C    109.470    3.000
 ZZJ      HB3C   CB     HB2C    109.470    3.000
 ZZJ      HB3C   CB     HB1C    109.470    3.000
 ZZJ      HB2C   CB     HB1C    109.470    3.000
 ZZJ      CA     N      H       118.500    3.000
 ZZJ      CA     N      CM      120.000    3.000
 ZZJ      H      N      CM      118.500    3.000
 ZZJ      N      CM     HM3C    109.470    3.000
 ZZJ      N      CM     HM2C    109.470    3.000
 ZZJ      N      CM     HM1C    109.470    3.000
 ZZJ      HM3C   CM     HM2C    109.470    3.000
 ZZJ      HM3C   CM     HM1C    109.470    3.000
 ZZJ      HM2C   CM     HM1C    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
 ZZJ      CONST_1  O      C      NXT    HXT1     180.000    0.000   0
 ZZJ      var_1    O      C      CA     N         -0.018   20.000   3
 ZZJ      var_2    C      CA     CB     HB1C    -179.993   20.000   3
 ZZJ      var_3    C      CA     N      CM      -155.021   20.000   3
 ZZJ      var_4    CA     N      CM     HM1C    -179.970   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
 ZZJ      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
 ZZJ      plan-1    N         0.020
 ZZJ      plan-1    CA        0.020
 ZZJ      plan-1    CM        0.020
 ZZJ      plan-1    H         0.020
 ZZJ      plan-2    C         0.020
 ZZJ      plan-2    CA        0.020
 ZZJ      plan-2    O         0.020
 ZZJ      plan-2    NXT       0.020
 ZZJ      plan-2    HXT2      0.020
 ZZJ      plan-2    HXT1      0.020
 ZZJ      plan-3    NXT       0.020
 ZZJ      plan-3    C         0.020
 ZZJ      plan-3    HXT1      0.020
 ZZJ      plan-3    HXT2      0.020
# ------------------------------------------------------
