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
DRL      DRL '2-methyl-3,5,7,8-tetrahydro-4H-thiop' non-polymer        22  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DRL
#
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
 DRL           O1B    O    O         0.000      0.000    0.000    0.000
 DRL           C1L    C    CR6       0.000     -0.911    0.809    0.037
 DRL           N1F    N    NR16      0.000     -0.646    2.122    0.152
 DRL           HN1F   H    H         0.000      0.337    2.457    0.205
 DRL           C1I    C    CR6       0.000     -1.669    2.998    0.198
 DRL           C1A    C    CH3       0.000     -1.379    4.473    0.314
 DRL           H1AB   H    H         0.000     -0.842    4.657    1.209
 DRL           H1AA   H    H         0.000     -0.801    4.786   -0.516
 DRL           H1A    H    H         0.000     -2.291    5.012    0.333
 DRL           C1K    C    CR6       0.000     -2.262    0.369   -0.046
 DRL           C1J    C    CR6       0.000     -3.245    1.288    0.028
 DRL           N1G    N    NRD6      0.000     -2.901    2.592    0.137
 DRL           C1E    C    CH2       0.000     -2.446   -1.117   -0.219
 DRL           H1E    H    H         0.000     -1.725   -1.641    0.412
 DRL           H1EA   H    H         0.000     -2.271   -1.378   -1.264
 DRL           S1H    S    S2        0.000     -4.129   -1.601    0.254
 DRL           C1C    C    CH2       0.000     -5.105   -0.312   -0.584
 DRL           H1C    H    H         0.000     -6.172   -0.490   -0.438
 DRL           H1CA   H    H         0.000     -4.881   -0.303   -1.653
 DRL           C1D    C    CH2       0.000     -4.723    1.029    0.027
 DRL           H1DA   H    H         0.000     -5.097    1.038    1.053
 DRL           H1D    H    H         0.000     -5.230    1.806   -0.550
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
 DRL      O1B    n/a    C1L    START
 DRL      C1L    O1B    C1K    .
 DRL      N1F    C1L    C1I    .
 DRL      HN1F   N1F    .      .
 DRL      C1I    N1F    C1A    .
 DRL      C1A    C1I    H1A    .
 DRL      H1AB   C1A    .      .
 DRL      H1AA   C1A    .      .
 DRL      H1A    C1A    .      .
 DRL      C1K    C1L    C1E    .
 DRL      C1J    C1K    N1G    .
 DRL      N1G    C1J    .      .
 DRL      C1E    C1K    S1H    .
 DRL      H1E    C1E    .      .
 DRL      H1EA   C1E    .      .
 DRL      S1H    C1E    C1C    .
 DRL      C1C    S1H    C1D    .
 DRL      H1C    C1C    .      .
 DRL      H1CA   C1C    .      .
 DRL      C1D    C1C    H1D    .
 DRL      H1DA   C1D    .      .
 DRL      H1D    C1D    .      END
 DRL      C1I    N1G    .    ADD
 DRL      C1J    C1D    .    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
 DRL      C1A    C1I       single      1.506    0.020
 DRL      C1I    N1G       double      1.350    0.020
 DRL      C1I    N1F       single      1.337    0.020
 DRL      N1G    C1J       single      1.350    0.020
 DRL      C1J    C1D       single      1.511    0.020
 DRL      C1J    C1K       double      1.487    0.020
 DRL      C1D    C1C       single      1.524    0.020
 DRL      C1C    S1H       single      1.762    0.020
 DRL      S1H    C1E       single      1.762    0.020
 DRL      C1E    C1K       single      1.511    0.020
 DRL      C1K    C1L       single      1.487    0.020
 DRL      C1L    O1B       double      1.250    0.020
 DRL      N1F    C1L       single      1.337    0.020
 DRL      H1A    C1A       single      1.059    0.020
 DRL      H1AA   C1A       single      1.059    0.020
 DRL      H1AB   C1A       single      1.059    0.020
 DRL      H1D    C1D       single      1.092    0.020
 DRL      H1DA   C1D       single      1.092    0.020
 DRL      H1C    C1C       single      1.092    0.020
 DRL      H1CA   C1C       single      1.092    0.020
 DRL      H1E    C1E       single      1.092    0.020
 DRL      H1EA   C1E       single      1.092    0.020
 DRL      HN1F   N1F       single      1.040    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
 DRL      O1B    C1L    N1F     120.000    3.000
 DRL      O1B    C1L    C1K     120.000    3.000
 DRL      N1F    C1L    C1K     120.000    3.000
 DRL      C1L    N1F    HN1F    120.000    3.000
 DRL      C1L    N1F    C1I     120.000    3.000
 DRL      HN1F   N1F    C1I     120.000    3.000
 DRL      N1F    C1I    C1A     120.000    3.000
 DRL      N1F    C1I    N1G     120.000    3.000
 DRL      C1A    C1I    N1G     120.000    3.000
 DRL      C1I    C1A    H1AB    109.470    3.000
 DRL      C1I    C1A    H1AA    109.470    3.000
 DRL      C1I    C1A    H1A     109.470    3.000
 DRL      H1AB   C1A    H1AA    109.470    3.000
 DRL      H1AB   C1A    H1A     109.470    3.000
 DRL      H1AA   C1A    H1A     109.470    3.000
 DRL      C1L    C1K    C1J     120.000    3.000
 DRL      C1L    C1K    C1E     120.000    3.000
 DRL      C1J    C1K    C1E     120.000    3.000
 DRL      C1K    C1J    N1G     120.000    3.000
 DRL      C1K    C1J    C1D     120.000    3.000
 DRL      N1G    C1J    C1D     120.000    3.000
 DRL      C1J    N1G    C1I     120.000    3.000
 DRL      C1K    C1E    H1E     109.470    3.000
 DRL      C1K    C1E    H1EA    109.470    3.000
 DRL      C1K    C1E    S1H     109.500    3.000
 DRL      H1E    C1E    H1EA    107.900    3.000
 DRL      H1E    C1E    S1H     109.500    3.000
 DRL      H1EA   C1E    S1H     109.500    3.000
 DRL      C1E    S1H    C1C     100.857    3.000
 DRL      S1H    C1C    H1C     109.500    3.000
 DRL      S1H    C1C    H1CA    109.500    3.000
 DRL      S1H    C1C    C1D     109.500    3.000
 DRL      H1C    C1C    H1CA    107.900    3.000
 DRL      H1C    C1C    C1D     109.470    3.000
 DRL      H1CA   C1C    C1D     109.470    3.000
 DRL      C1C    C1D    H1DA    109.470    3.000
 DRL      C1C    C1D    H1D     109.470    3.000
 DRL      C1C    C1D    C1J     109.470    3.000
 DRL      H1DA   C1D    H1D     107.900    3.000
 DRL      H1DA   C1D    C1J     109.470    3.000
 DRL      H1D    C1D    C1J     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
 DRL      CONST_1  O1B    C1L    N1F    C1I      180.000    0.000   0
 DRL      CONST_2  C1L    N1F    C1I    C1A      180.000    0.000   0
 DRL      CONST_3  N1F    C1I    N1G    C1J        0.000    0.000   0
 DRL      var_1    N1F    C1I    C1A    H1A      179.748   20.000   1
 DRL      CONST_4  O1B    C1L    C1K    C1E        0.000    0.000   0
 DRL      CONST_5  C1L    C1K    C1J    N1G        0.000    0.000   0
 DRL      var_2    C1K    C1J    C1D    C1C      -30.000   20.000   2
 DRL      CONST_6  C1K    C1J    N1G    C1I        0.000    0.000   0
 DRL      var_3    C1L    C1K    C1E    S1H      150.000   20.000   2
 DRL      var_4    C1K    C1E    S1H    C1C       60.000   20.000   1
 DRL      var_5    C1E    S1H    C1C    C1D      -60.000   20.000   1
 DRL      var_6    S1H    C1C    C1D    C1J       60.000   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
 DRL      plan-1    C1I       0.020
 DRL      plan-1    C1A       0.020
 DRL      plan-1    N1G       0.020
 DRL      plan-1    N1F       0.020
 DRL      plan-1    C1J       0.020
 DRL      plan-1    C1K       0.020
 DRL      plan-1    C1L       0.020
 DRL      plan-1    C1D       0.020
 DRL      plan-1    C1E       0.020
 DRL      plan-1    O1B       0.020
 DRL      plan-1    HN1F      0.020
# ------------------------------------------------------
