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
LCY      LCY '1-methylpyrrolidine-2,5-dione       ' non-polymer        15   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LCY
#
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
 LCY           O1     O    O         0.000      0.000    0.000    0.000
 LCY           C4     C    C         0.000     -1.163   -0.340    0.000
 LCY           C1     C    CH2       0.000     -1.658   -1.770    0.000
 LCY           H1A    H    H         0.000     -1.345   -2.318    0.891
 LCY           H1     H    H         0.000     -1.345   -2.318   -0.891
 LCY           N1     N    N         0.000     -2.214    0.490    0.000
 LCY           C5     C    CH3       0.000     -2.073    1.948    0.000
 LCY           H5B    H    H         0.000     -1.178    2.218   -0.499
 LCY           H5A    H    H         0.000     -2.899    2.385   -0.499
 LCY           H5     H    H         0.000     -2.039    2.302    0.998
 LCY           C3     C    C         0.000     -3.405   -0.123    0.000
 LCY           O2     O    O         0.000     -4.481    0.434    0.000
 LCY           C2     C    CH2       0.000     -3.193   -1.622    0.000
 LCY           H2A    H    H         0.000     -3.606   -2.099   -0.891
 LCY           H2     H    H         0.000     -3.606   -2.099    0.891
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
 LCY      O1     n/a    C4     START
 LCY      C4     O1     N1     .
 LCY      C1     C4     H1     .
 LCY      H1A    C1     .      .
 LCY      H1     C1     .      .
 LCY      N1     C4     C3     .
 LCY      C5     N1     H5     .
 LCY      H5B    C5     .      .
 LCY      H5A    C5     .      .
 LCY      H5     C5     .      .
 LCY      C3     N1     C2     .
 LCY      O2     C3     .      .
 LCY      C2     C3     H2     .
 LCY      H2A    C2     .      .
 LCY      H2     C2     .      END
 LCY      C1     C2     .    ADD
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
 LCY      C1     C2        single      1.524    0.020
 LCY      C1     C4        single      1.510    0.020
 LCY      C2     C3        single      1.510    0.020
 LCY      O2     C3        double      1.220    0.020
 LCY      C3     N1        single      1.330    0.020
 LCY      N1     C4        single      1.330    0.020
 LCY      C5     N1        single      1.455    0.020
 LCY      C4     O1        double      1.220    0.020
 LCY      H1     C1        single      1.092    0.020
 LCY      H1A    C1        single      1.092    0.020
 LCY      H2     C2        single      1.092    0.020
 LCY      H2A    C2        single      1.092    0.020
 LCY      H5     C5        single      1.059    0.020
 LCY      H5A    C5        single      1.059    0.020
 LCY      H5B    C5        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
 LCY      O1     C4     C1      120.500    3.000
 LCY      O1     C4     N1      123.000    3.000
 LCY      C1     C4     N1      116.500    3.000
 LCY      C4     C1     H1A     109.470    3.000
 LCY      C4     C1     H1      109.470    3.000
 LCY      C4     C1     C2      109.470    3.000
 LCY      H1A    C1     H1      107.900    3.000
 LCY      H1A    C1     C2      109.470    3.000
 LCY      H1     C1     C2      109.470    3.000
 LCY      C4     N1     C5      127.000    3.000
 LCY      C4     N1     C3      120.000    3.000
 LCY      C5     N1     C3      127.000    3.000
 LCY      N1     C5     H5B     109.470    3.000
 LCY      N1     C5     H5A     109.470    3.000
 LCY      N1     C5     H5      109.470    3.000
 LCY      H5B    C5     H5A     109.470    3.000
 LCY      H5B    C5     H5      109.470    3.000
 LCY      H5A    C5     H5      109.470    3.000
 LCY      N1     C3     O2      123.000    3.000
 LCY      N1     C3     C2      116.500    3.000
 LCY      O2     C3     C2      120.500    3.000
 LCY      C3     C2     H2A     109.470    3.000
 LCY      C3     C2     H2      109.470    3.000
 LCY      C3     C2     C1      109.470    3.000
 LCY      H2A    C2     H2      107.900    3.000
 LCY      H2A    C2     C1      109.470    3.000
 LCY      H2     C2     C1      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
 LCY      var_1    O1     C4     C1     C2       180.000   20.000   3
 LCY      var_2    C4     C1     C2     C3         0.000   20.000   3
 LCY      CONST_1  O1     C4     N1     C3       180.000    0.000   0
 LCY      var_3    C4     N1     C5     H5       -90.000   20.000   1
 LCY      CONST_2  C4     N1     C3     C2         0.000    0.000   0
 LCY      var_4    N1     C3     C2     C1         0.000   20.000   3
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
 LCY      plan-1    C3        0.020
 LCY      plan-1    C2        0.020
 LCY      plan-1    O2        0.020
 LCY      plan-1    N1        0.020
 LCY      plan-2    N1        0.020
 LCY      plan-2    C3        0.020
 LCY      plan-2    C4        0.020
 LCY      plan-2    C5        0.020
 LCY      plan-3    C4        0.020
 LCY      plan-3    C1        0.020
 LCY      plan-3    N1        0.020
 LCY      plan-3    O1        0.020
# ------------------------------------------------------
