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
SLP      SLP '3-selanylpropanoic acid             ' non-polymer        11   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SLP
#
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
 SLP           O2     O    OC       -0.500      0.000    0.000    0.000
 SLP           C7     C    C         0.000     -1.171    0.439    0.000
 SLP           O1     O    OC       -0.500     -1.376    1.674    0.000
 SLP           C6     C    CH2       0.000     -2.336   -0.517    0.000
 SLP           H6     H    H         0.000     -2.289   -1.146    0.891
 SLP           H6A    H    H         0.000     -2.289   -1.146   -0.891
 SLP           C2     C    CH2       0.000     -3.646    0.273    0.000
 SLP           H2     H    H         0.000     -3.690    0.903   -0.891
 SLP           H2A    H    H         0.000     -3.690    0.903    0.891
 SLP           SE     SE   SE        0.000     -5.160   -0.971    0.000
 SLP           HSE    H    H         0.000     -6.049   -0.152    0.000
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
 SLP      O2     n/a    C7     START
 SLP      C7     O2     C6     .
 SLP      O1     C7     .      .
 SLP      C6     C7     C2     .
 SLP      H6     C6     .      .
 SLP      H6A    C6     .      .
 SLP      C2     C6     SE     .
 SLP      H2     C2     .      .
 SLP      H2A    C2     .      .
 SLP      SE     C2     HSE    .
 SLP      HSE    SE     .      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
 SLP      SE     C2        single      1.970    0.020
 SLP      O1     C7        deloc       1.250    0.020
 SLP      C2     C6        single      1.524    0.020
 SLP      C7     O2        deloc       1.250    0.020
 SLP      C6     C7        single      1.510    0.020
 SLP      HSE    SE        single      1.209    0.020
 SLP      H2     C2        single      1.092    0.020
 SLP      H2A    C2        single      1.092    0.020
 SLP      H6     C6        single      1.092    0.020
 SLP      H6A    C6        single      1.092    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
 SLP      O2     C7     O1      123.000    3.000
 SLP      O2     C7     C6      118.500    3.000
 SLP      O1     C7     C6      118.500    3.000
 SLP      C7     C6     H6      109.470    3.000
 SLP      C7     C6     H6A     109.470    3.000
 SLP      C7     C6     C2      109.470    3.000
 SLP      H6     C6     H6A     107.900    3.000
 SLP      H6     C6     C2      109.470    3.000
 SLP      H6A    C6     C2      109.470    3.000
 SLP      C6     C2     H2      109.470    3.000
 SLP      C6     C2     H2A     109.470    3.000
 SLP      C6     C2     SE      109.500    3.000
 SLP      H2     C2     H2A     107.900    3.000
 SLP      H2     C2     SE      109.500    3.000
 SLP      H2A    C2     SE      109.500    3.000
 SLP      C2     SE     HSE      98.000    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
 SLP      var_1    O2     C7     C6     C2       180.000   20.000   3
 SLP      var_2    C7     C6     C2     SE       180.000   20.000   3
 SLP      var_3    C6     C2     SE     HSE      180.000   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
 SLP      plan-1    C7        0.020
 SLP      plan-1    O1        0.000
 SLP      plan-1    O2        0.000
 SLP      plan-1    C6        0.000
# ------------------------------------------------------
