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
AEM      AEM '2-AMINOETHANIMIDIC ACID             ' non-polymer        10   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_AEM
#
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
 AEM           N1     N    N         0.000      0.000    0.000    0.000
 AEM           H1     H    H         0.000      0.467   -0.378   -0.745
 AEM           C1     C    C1        0.000     -1.002   -0.608    0.511
 AEM           HA     H    H         0.000     -1.325   -1.551    0.103
 AEM           C2     C    CH2       0.000     -1.733   -0.007    1.682
 AEM           H2C1   H    H         0.000     -1.264    0.941    1.954
 AEM           H2C2   H    H         0.000     -1.683   -0.693    2.531
 AEM           N2     N    NH2       0.000     -3.136    0.225    1.319
 AEM           H2N2   H    H         0.000     -3.472   -0.016    0.394
 AEM           H2N1   H    H         0.000     -3.779    0.627    1.991
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
 AEM      N1     n/a    C1     START
 AEM      H1     N1     .      .
 AEM      C1     N1     C2     .
 AEM      HA     C1     .      .
 AEM      C2     C1     N2     .
 AEM      H2C1   C2     .      .
 AEM      H2C2   C2     .      .
 AEM      N2     C2     H2N1   .
 AEM      H2N2   N2     .      .
 AEM      H2N1   N2     .      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
 AEM      C1     N1        double      1.260    0.020
 AEM      C2     C1        single      1.510    0.020
 AEM      HA     C1        single      1.077    0.020
 AEM      H1     N1        single      0.954    0.020
 AEM      N2     C2        single      1.450    0.020
 AEM      H2C1   C2        single      1.092    0.020
 AEM      H2C2   C2        single      1.092    0.020
 AEM      H2N1   N2        single      1.010    0.020
 AEM      H2N2   N2        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
 AEM      H1     N1     C1      120.000    3.000
 AEM      N1     C1     HA      120.000    3.000
 AEM      N1     C1     C2      120.000    3.000
 AEM      HA     C1     C2      120.000    3.000
 AEM      C1     C2     H2C1    109.470    3.000
 AEM      C1     C2     H2C2    109.470    3.000
 AEM      C1     C2     N2      111.600    3.000
 AEM      H2C1   C2     H2C2    107.900    3.000
 AEM      H2C1   C2     N2      109.470    3.000
 AEM      H2C2   C2     N2      109.470    3.000
 AEM      C2     N2     H2N2    120.000    3.000
 AEM      C2     N2     H2N1    120.000    3.000
 AEM      H2N2   N2     H2N1    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
 AEM      CONST_1  H1     N1     C1     C2      -179.963    0.000   0
 AEM      var_1    N1     C1     C2     N2       120.013   20.000   1
 AEM      var_2    C1     C2     N2     H2N1    -179.963   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
 AEM      plan-1    C1        0.020
 AEM      plan-1    N1        0.020
 AEM      plan-1    C2        0.020
 AEM      plan-1    HA        0.020
 AEM      plan-1    H1        0.020
 AEM      plan-2    N2        0.020
 AEM      plan-2    C2        0.020
 AEM      plan-2    H2N1      0.020
 AEM      plan-2    H2N2      0.020
# ------------------------------------------------------
