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
MSM      MSM '(METHYLSULFANYL)METHANE             ' non-polymer         9   3 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MSM
#
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
 MSM           CD1    C    CH3       0.000      0.000    0.000    0.000
 MSM           HD11   H    H         0.000      0.488   -0.379    0.865
 MSM           HD12   H    H         0.000      0.488   -0.379   -0.865
 MSM           HD13   H    H         0.000      0.074    1.060    0.000
 MSM           SG1    S    S2        0.000     -1.744   -0.501    0.000
 MSM           CB1    C    CH3       0.000     -1.553   -2.306    0.000
 MSM           HB13   H    H         0.000     -1.018   -2.615    0.864
 MSM           HB12   H    H         0.000     -2.508   -2.773    0.000
 MSM           HB11   H    H         0.000     -1.019   -2.615   -0.865
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
 MSM      CD1    n/a    SG1    START
 MSM      HD11   CD1    .      .
 MSM      HD12   CD1    .      .
 MSM      HD13   CD1    .      .
 MSM      SG1    CD1    CB1    .
 MSM      CB1    SG1    HB11   .
 MSM      HB13   CB1    .      .
 MSM      HB12   CB1    .      .
 MSM      HB11   CB1    .      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
 MSM      CB1    SG1       single      1.762    0.020
 MSM      HB11   CB1       single      1.059    0.020
 MSM      HB12   CB1       single      1.059    0.020
 MSM      HB13   CB1       single      1.059    0.020
 MSM      SG1    CD1       single      1.762    0.020
 MSM      HD11   CD1       single      1.059    0.020
 MSM      HD12   CD1       single      1.059    0.020
 MSM      HD13   CD1       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
 MSM      HD11   CD1    HD12    109.470    3.000
 MSM      HD11   CD1    HD13    109.470    3.000
 MSM      HD12   CD1    HD13    109.470    3.000
 MSM      HD11   CD1    SG1     109.500    3.000
 MSM      HD12   CD1    SG1     109.500    3.000
 MSM      HD13   CD1    SG1     109.500    3.000
 MSM      CD1    SG1    CB1     100.017    3.000
 MSM      SG1    CB1    HB13    109.500    3.000
 MSM      SG1    CB1    HB12    109.500    3.000
 MSM      SG1    CB1    HB11    109.500    3.000
 MSM      HB13   CB1    HB12    109.470    3.000
 MSM      HB13   CB1    HB11    109.470    3.000
 MSM      HB12   CB1    HB11    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
 MSM      var_1    HD13   CD1    SG1    CB1      180.000   20.000   1
 MSM      var_2    CD1    SG1    CB1    HB11     -60.003   20.000   1
# ------------------------------------------------------
