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
GLM      GLM '1-AMINO-PROPAN-2-ONE                ' non-polymer        12   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GLM
#
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
 GLM           O      O    O         0.000      0.000    0.000    0.000
 GLM           C      C    C         0.000     -1.166    0.004    0.317
 GLM           CM     C    CH3       0.000     -1.549    0.026    1.774
 GLM           HM3    H    H         0.000     -2.122    0.894    1.977
 GLM           HM2    H    H         0.000     -2.122   -0.836    2.002
 GLM           HM1    H    H         0.000     -0.673    0.035    2.370
 GLM           CA     C    CH2       0.000     -2.234   -0.011   -0.744
 GLM           HA1    H    H         0.000     -2.855    0.882   -0.647
 GLM           HA2    H    H         0.000     -2.856   -0.901   -0.620
 GLM           N      N    NH2       0.000     -1.607   -0.032   -2.071
 GLM           H2     H    H         0.000     -1.707   -0.842   -2.672
 GLM           H      H    H         0.000     -1.070    0.764   -2.395
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
 GLM      O      n/a    C      START
 GLM      C      O      CA     .
 GLM      CM     C      HM1    .
 GLM      HM3    CM     .      .
 GLM      HM2    CM     .      .
 GLM      HM1    CM     .      .
 GLM      CA     C      N      .
 GLM      HA1    CA     .      .
 GLM      HA2    CA     .      .
 GLM      N      CA     H      .
 GLM      H2     N      .      .
 GLM      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
 GLM      N      CA        single      1.450    0.020
 GLM      H      N         single      1.010    0.020
 GLM      H2     N         single      1.010    0.020
 GLM      CA     C         single      1.510    0.020
 GLM      HA1    CA        single      1.092    0.020
 GLM      HA2    CA        single      1.092    0.020
 GLM      C      O         double      1.220    0.020
 GLM      CM     C         single      1.500    0.020
 GLM      HM1    CM        single      1.059    0.020
 GLM      HM2    CM        single      1.059    0.020
 GLM      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
 GLM      O      C      CM      123.000    3.000
 GLM      O      C      CA      120.500    3.000
 GLM      CM     C      CA      120.000    3.000
 GLM      C      CM     HM3     109.470    3.000
 GLM      C      CM     HM2     109.470    3.000
 GLM      C      CM     HM1     109.470    3.000
 GLM      HM3    CM     HM2     109.470    3.000
 GLM      HM3    CM     HM1     109.470    3.000
 GLM      HM2    CM     HM1     109.470    3.000
 GLM      C      CA     HA1     109.470    3.000
 GLM      C      CA     HA2     109.470    3.000
 GLM      C      CA     N       111.600    3.000
 GLM      HA1    CA     HA2     107.900    3.000
 GLM      HA1    CA     N       109.470    3.000
 GLM      HA2    CA     N       109.470    3.000
 GLM      CA     N      H2      120.000    3.000
 GLM      CA     N      H       120.000    3.000
 GLM      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
 GLM      var_1    O      C      CM     HM1       -0.009   20.000   1
 GLM      var_2    O      C      CA     N          0.043   20.000   3
 GLM      var_3    C      CA     N      H        -66.270   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
 GLM      plan-1    N         0.020
 GLM      plan-1    CA        0.020
 GLM      plan-1    H         0.020
 GLM      plan-1    H2        0.020
 GLM      plan-2    C         0.020
 GLM      plan-2    CA        0.020
 GLM      plan-2    O         0.020
 GLM      plan-2    CM        0.020
# ------------------------------------------------------
