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
0NC      0NC 'N-methyl-L-alaninamide              ' non-polymer        17   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_0NC
#
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
 0NC           O      O    O         0.000      0.000    0.000    0.000
 0NC           C      C    C         0.000     -1.044   -0.310   -0.533
 0NC           N1     N    NH1       0.000     -2.216    0.113   -0.020
 0NC           HN1    H    H         0.000     -3.085   -0.146   -0.464
 0NC           C1     C    CH3       0.000     -2.229    0.949    1.182
 0NC           H1B    H    H         0.000     -1.693    1.845    1.000
 0NC           H1A    H    H         0.000     -3.230    1.186    1.440
 0NC           H1     H    H         0.000     -1.775    0.427    1.985
 0NC           CA     C    CH1       0.000     -1.031   -1.170   -1.771
 0NC           HA     H    H         0.000     -1.789   -0.806   -2.478
 0NC           CB     C    CH3       0.000     -1.343   -2.618   -1.390
 0NC           HBB    H    H         0.000     -2.300   -2.667   -0.938
 0NC           HBA    H    H         0.000     -1.334   -3.223   -2.260
 0NC           HB     H    H         0.000     -0.614   -2.971   -0.708
 0NC           N      N    NH2       0.000      0.296   -1.104   -2.399
 0NC           HNA    H    H         0.000      0.397   -0.760   -3.346
 0NC           HN     H    H         0.000      1.119   -1.403   -1.888
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
 0NC      O      n/a    C      START
 0NC      C      O      CA     .
 0NC      N1     C      C1     .
 0NC      HN1    N1     .      .
 0NC      C1     N1     H1     .
 0NC      H1B    C1     .      .
 0NC      H1A    C1     .      .
 0NC      H1     C1     .      .
 0NC      CA     C      N      .
 0NC      HA     CA     .      .
 0NC      CB     CA     HB     .
 0NC      HBB    CB     .      .
 0NC      HBA    CB     .      .
 0NC      HB     CB     .      .
 0NC      N      CA     HN     .
 0NC      HNA    N      .      .
 0NC      HN     N      .      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
 0NC      N      CA        single      1.450    0.020
 0NC      HN     N         single      1.010    0.020
 0NC      HNA    N         single      1.010    0.020
 0NC      CA     C         single      1.500    0.020
 0NC      CB     CA        single      1.524    0.020
 0NC      HA     CA        single      1.099    0.020
 0NC      N1     C         single      1.330    0.020
 0NC      C      O         double      1.220    0.020
 0NC      HB     CB        single      1.059    0.020
 0NC      HBA    CB        single      1.059    0.020
 0NC      HBB    CB        single      1.059    0.020
 0NC      HN1    N1        single      1.010    0.020
 0NC      C1     N1        single      1.450    0.020
 0NC      H1     C1        single      1.059    0.020
 0NC      H1A    C1        single      1.059    0.020
 0NC      H1B    C1        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
 0NC      O      C      N1      123.000    3.000
 0NC      O      C      CA      120.500    3.000
 0NC      N1     C      CA      116.500    3.000
 0NC      C      N1     HN1     120.000    3.000
 0NC      C      N1     C1      121.500    3.000
 0NC      HN1    N1     C1      118.500    3.000
 0NC      N1     C1     H1B     109.470    3.000
 0NC      N1     C1     H1A     109.470    3.000
 0NC      N1     C1     H1      109.470    3.000
 0NC      H1B    C1     H1A     109.470    3.000
 0NC      H1B    C1     H1      109.470    3.000
 0NC      H1A    C1     H1      109.470    3.000
 0NC      C      CA     HA      108.810    3.000
 0NC      C      CA     CB      109.470    3.000
 0NC      C      CA     N       109.470    3.000
 0NC      HA     CA     CB      108.340    3.000
 0NC      HA     CA     N       109.470    3.000
 0NC      CB     CA     N       109.470    3.000
 0NC      CA     CB     HBB     109.470    3.000
 0NC      CA     CB     HBA     109.470    3.000
 0NC      CA     CB     HB      109.470    3.000
 0NC      HBB    CB     HBA     109.470    3.000
 0NC      HBB    CB     HB      109.470    3.000
 0NC      HBA    CB     HB      109.470    3.000
 0NC      CA     N      HNA     120.000    3.000
 0NC      CA     N      HN      120.000    3.000
 0NC      HNA    N      HN      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
 0NC      CONST_1  O      C      N1     C1         0.000    0.000   0
 0NC      var_1    C      N1     C1     H1       -60.037   20.000   1
 0NC      var_2    O      C      CA     N        -20.028   20.000   3
 0NC      var_3    C      CA     CB     HB       -59.996   20.000   3
 0NC      var_4    C      CA     N      HN        60.040   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
 0NC      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
 0NC      plan-1    N         0.020
 0NC      plan-1    CA        0.020
 0NC      plan-1    HN        0.020
 0NC      plan-1    HNA       0.020
 0NC      plan-2    C         0.020
 0NC      plan-2    CA        0.020
 0NC      plan-2    O         0.020
 0NC      plan-2    N1        0.020
 0NC      plan-2    HN1       0.020
 0NC      plan-3    N1        0.020
 0NC      plan-3    C         0.020
 0NC      plan-3    C1        0.020
 0NC      plan-3    HN1       0.020
# ------------------------------------------------------
