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
ALM      ALM '1-METHYL-ALANINAL                   ' non-polymer        15   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ALM
#
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
 ALM           O      O    O         0.000      0.000    0.000    0.000
 ALM           C      C    C         0.000     -0.635    0.368    0.957
 ALM           CM     C    CH3       0.000     -0.036    1.356    1.923
 ALM           HM3    H    H         0.000     -0.637    2.229    1.956
 ALM           HM2    H    H         0.000      0.010    0.924    2.890
 ALM           HM1    H    H         0.000      0.941    1.614    1.607
 ALM           CA     C    CH1       0.000     -2.028   -0.159    1.185
 ALM           HA     H    H         0.000     -2.627    0.602    1.704
 ALM           CB     C    CH3       0.000     -1.960   -1.426    2.039
 ALM           HB3    H    H         0.000     -1.383   -2.160    1.540
 ALM           HB2    H    H         0.000     -1.512   -1.200    2.972
 ALM           HB1    H    H         0.000     -2.939   -1.797    2.200
 ALM           N      N    NH2       0.000     -2.649   -0.474   -0.108
 ALM           H2     H    H         0.000     -2.178   -0.238   -0.973
 ALM           H      H    H         0.000     -3.554   -0.929   -0.143
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
 ALM      O      n/a    C      START
 ALM      C      O      CA     .
 ALM      CM     C      HM1    .
 ALM      HM3    CM     .      .
 ALM      HM2    CM     .      .
 ALM      HM1    CM     .      .
 ALM      CA     C      N      .
 ALM      HA     CA     .      .
 ALM      CB     CA     HB1    .
 ALM      HB3    CB     .      .
 ALM      HB2    CB     .      .
 ALM      HB1    CB     .      .
 ALM      N      CA     H      .
 ALM      H2     N      .      .
 ALM      H      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
 ALM      N      CA        single      1.450    0.020
 ALM      H      N         single      1.010    0.020
 ALM      H2     N         single      1.010    0.020
 ALM      CA     C         single      1.500    0.020
 ALM      CB     CA        single      1.524    0.020
 ALM      HA     CA        single      1.099    0.020
 ALM      C      O         double      1.220    0.020
 ALM      CM     C         single      1.500    0.020
 ALM      HB1    CB        single      1.059    0.020
 ALM      HB2    CB        single      1.059    0.020
 ALM      HB3    CB        single      1.059    0.020
 ALM      HM1    CM        single      1.059    0.020
 ALM      HM2    CM        single      1.059    0.020
 ALM      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
 ALM      O      C      CM      123.000    3.000
 ALM      O      C      CA      120.500    3.000
 ALM      CM     C      CA      120.000    3.000
 ALM      C      CM     HM3     109.470    3.000
 ALM      C      CM     HM2     109.470    3.000
 ALM      C      CM     HM1     109.470    3.000
 ALM      HM3    CM     HM2     109.470    3.000
 ALM      HM3    CM     HM1     109.470    3.000
 ALM      HM2    CM     HM1     109.470    3.000
 ALM      C      CA     HA      108.810    3.000
 ALM      C      CA     CB      109.470    3.000
 ALM      C      CA     N       109.470    3.000
 ALM      HA     CA     CB      108.340    3.000
 ALM      HA     CA     N       109.470    3.000
 ALM      CB     CA     N       109.470    3.000
 ALM      CA     CB     HB3     109.470    3.000
 ALM      CA     CB     HB2     109.470    3.000
 ALM      CA     CB     HB1     109.470    3.000
 ALM      HB3    CB     HB2     109.470    3.000
 ALM      HB3    CB     HB1     109.470    3.000
 ALM      HB2    CB     HB1     109.470    3.000
 ALM      CA     N      H2      120.000    3.000
 ALM      CA     N      H       120.000    3.000
 ALM      H2     N      H       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
 ALM      var_1    O      C      CM     HM1       -0.112   20.000   1
 ALM      var_2    O      C      CA     N        -29.896   20.000   3
 ALM      var_3    C      CA     CB     HB1      179.974   20.000   3
 ALM      var_4    C      CA     N      H        173.725   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
 ALM      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
 ALM      plan-1    N         0.020
 ALM      plan-1    CA        0.020
 ALM      plan-1    H         0.020
 ALM      plan-1    H2        0.020
 ALM      plan-2    C         0.020
 ALM      plan-2    CA        0.020
 ALM      plan-2    O         0.020
 ALM      plan-2    CM        0.020
# ------------------------------------------------------
