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
ROP      ROP 'PROPIONAMIDE                        ' non-polymer        12   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ROP
#
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
 ROP           OD1    O    O         0.000      0.000    0.000    0.000
 ROP           CG     C    C         0.000     -0.551    0.000    1.081
 ROP           ND2    N    NH2       0.000      0.184    0.000    2.210
 ROP           HND2   H    H         0.000     -0.270    0.000    3.115
 ROP           HND1   H    H         0.000      1.196    0.000    2.161
 ROP           CB     C    CH2       0.000     -2.054    0.000    1.159
 ROP           HCB1   H    H         0.000     -2.389    0.891    1.694
 ROP           HCB2   H    H         0.000     -2.389   -0.891    1.694
 ROP           CA     C    CH3       0.000     -2.640    0.000   -0.253
 ROP           HCA3   H    H         0.000     -2.316    0.865   -0.774
 ROP           HCA2   H    H         0.000     -2.316   -0.865   -0.774
 ROP           HCA1   H    H         0.000     -3.699    0.000   -0.200
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
 ROP      OD1    n/a    CG     START
 ROP      CG     OD1    CB     .
 ROP      ND2    CG     HND1   .
 ROP      HND2   ND2    .      .
 ROP      HND1   ND2    .      .
 ROP      CB     CG     CA     .
 ROP      HCB1   CB     .      .
 ROP      HCB2   CB     .      .
 ROP      CA     CB     HCA1   .
 ROP      HCA3   CA     .      .
 ROP      HCA2   CA     .      .
 ROP      HCA1   CA     .      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
 ROP      CA     CB        single      1.513    0.020
 ROP      HCA1   CA        single      1.059    0.020
 ROP      HCA2   CA        single      1.059    0.020
 ROP      HCA3   CA        single      1.059    0.020
 ROP      CB     CG        single      1.510    0.020
 ROP      HCB1   CB        single      1.092    0.020
 ROP      HCB2   CB        single      1.092    0.020
 ROP      CG     OD1       double      1.220    0.020
 ROP      ND2    CG        single      1.332    0.020
 ROP      HND1   ND2       single      1.010    0.020
 ROP      HND2   ND2       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
 ROP      OD1    CG     ND2     123.000    3.000
 ROP      OD1    CG     CB      120.500    3.000
 ROP      ND2    CG     CB      116.500    3.000
 ROP      CG     ND2    HND2    120.000    3.000
 ROP      CG     ND2    HND1    120.000    3.000
 ROP      HND2   ND2    HND1    120.000    3.000
 ROP      CG     CB     HCB1    109.470    3.000
 ROP      CG     CB     HCB2    109.470    3.000
 ROP      CG     CB     CA      109.500    3.000
 ROP      HCB1   CB     HCB2    107.900    3.000
 ROP      HCB1   CB     CA      109.470    3.000
 ROP      HCB2   CB     CA      109.470    3.000
 ROP      CB     CA     HCA3    109.470    3.000
 ROP      CB     CA     HCA2    109.470    3.000
 ROP      CB     CA     HCA1    109.470    3.000
 ROP      HCA3   CA     HCA2    109.470    3.000
 ROP      HCA3   CA     HCA1    109.470    3.000
 ROP      HCA2   CA     HCA1    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
 ROP      CONST_1  OD1    CG     ND2    HND1       0.000    0.000   0
 ROP      var_1    OD1    CG     CB     CA         0.000   20.000   3
 ROP      var_2    CG     CB     CA     HCA1     180.000   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
 ROP      plan-1    CG        0.020
 ROP      plan-1    CB        0.020
 ROP      plan-1    OD1       0.020
 ROP      plan-1    ND2       0.020
 ROP      plan-1    HND2      0.020
 ROP      plan-1    HND1      0.020
 ROP      plan-2    ND2       0.020
 ROP      plan-2    CG        0.020
 ROP      plan-2    HND1      0.020
 ROP      plan-2    HND2      0.020
# ------------------------------------------------------
