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
DAM      DAM 'N-METHYL-ALPHA-BETA-DEHYDROALANINE  ' non-polymer        13   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DAM
#
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
 DAM           OXT    O    OC       -0.500      0.000    0.000    0.000
 DAM           C      C    C         0.000     -1.085   -0.623    0.000
 DAM           O      O    OC       -0.500     -1.088   -1.874    0.000
 DAM           CA     C    C         0.000     -2.361    0.117    0.000
 DAM           CB     C    C2        0.000     -2.358    1.452    0.000
 DAM           HB2    H    H         0.000     -3.289    1.999    0.000
 DAM           HB1    H    H         0.000     -1.423    1.994    0.000
 DAM           N      N    NH1       0.000     -3.574   -0.580    0.000
 DAM           H      H    H         0.000     -3.576   -1.590    0.000
 DAM           CM     C    CH3       0.000     -4.841    0.155    0.000
 DAM           HM3    H    H         0.000     -4.899    0.766   -0.865
 DAM           HM2    H    H         0.000     -5.651   -0.530    0.000
 DAM           HM1    H    H         0.000     -4.899    0.766    0.865
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
 DAM      OXT    n/a    C      START
 DAM      C      OXT    CA     .
 DAM      O      C      .      .
 DAM      CA     C      N      .
 DAM      CB     CA     HB1    .
 DAM      HB2    CB     .      .
 DAM      HB1    CB     .      .
 DAM      N      CA     CM     .
 DAM      H      N      .      .
 DAM      CM     N      HM1    .
 DAM      HM3    CM     .      .
 DAM      HM2    CM     .      .
 DAM      HM1    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
 DAM      CM     N         single      1.450    0.020
 DAM      N      CA        single      1.330    0.020
 DAM      H      N         single      1.010    0.020
 DAM      HM1    CM        single      1.059    0.020
 DAM      HM2    CM        single      1.059    0.020
 DAM      HM3    CM        single      1.059    0.020
 DAM      CB     CA        double      1.320    0.020
 DAM      CA     C         single      1.460    0.020
 DAM      HB1    CB        single      1.077    0.020
 DAM      HB2    CB        single      1.077    0.020
 DAM      O      C         deloc       1.250    0.020
 DAM      C      OXT       deloc       1.250    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
 DAM      OXT    C      O       123.000    3.000
 DAM      OXT    C      CA      120.000    3.000
 DAM      O      C      CA      120.000    3.000
 DAM      C      CA     CB      120.000    3.000
 DAM      C      CA     N       120.000    3.000
 DAM      CB     CA     N       120.000    3.000
 DAM      CA     CB     HB2     120.000    3.000
 DAM      CA     CB     HB1     120.000    3.000
 DAM      HB2    CB     HB1     120.000    3.000
 DAM      CA     N      H       120.000    3.000
 DAM      CA     N      CM      121.500    3.000
 DAM      H      N      CM      118.500    3.000
 DAM      N      CM     HM3     109.470    3.000
 DAM      N      CM     HM2     109.470    3.000
 DAM      N      CM     HM1     109.470    3.000
 DAM      HM3    CM     HM2     109.470    3.000
 DAM      HM3    CM     HM1     109.470    3.000
 DAM      HM2    CM     HM1     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
 DAM      var_1    OXT    C      CA     N        180.000   20.000   1
 DAM      CONST_1  C      CA     CB     HB1        0.000    0.000   0
 DAM      CONST_2  C      CA     N      CM       180.000    0.000   0
 DAM      var_2    CA     N      CM     HM1      -60.014   20.000   1
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
 DAM      plan-1    N         0.020
 DAM      plan-1    CM        0.020
 DAM      plan-1    CA        0.020
 DAM      plan-1    H         0.020
 DAM      plan-2    CA        0.020
 DAM      plan-2    N         0.020
 DAM      plan-2    CB        0.020
 DAM      plan-2    C         0.020
 DAM      plan-2    HB1       0.020
 DAM      plan-2    HB2       0.020
 DAM      plan-2    H         0.020
 DAM      plan-3    C         0.020
 DAM      plan-3    CA        0.020
 DAM      plan-3    O         0.020
 DAM      plan-3    OXT       0.020
# ------------------------------------------------------
