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
TME      TME 'PROPANE                             ' non-polymer        11   3 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TME
#
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
 TME           C3     C    CH3       0.000      0.000    0.000    0.000
 TME           H31    H    H         0.000      0.461   -0.405   -0.865
 TME           H32    H    H         0.000      0.119    1.054    0.000
 TME           H33    H    H         0.000      0.461   -0.404    0.865
 TME           C2     C    CH2       0.000     -1.489   -0.349    0.000
 TME           H21    H    H         0.000     -1.961    0.070   -0.891
 TME           H22    H    H         0.000     -1.961    0.070    0.891
 TME           C1     C    CH3       0.000     -1.657   -1.870    0.000
 TME           H13    H    H         0.000     -1.199   -2.279    0.865
 TME           H12    H    H         0.000     -2.688   -2.115    0.000
 TME           H11    H    H         0.000     -1.200   -2.279   -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
 TME      C3     n/a    C2     START
 TME      H31    C3     .      .
 TME      H32    C3     .      .
 TME      H33    C3     .      .
 TME      C2     C3     C1     .
 TME      H21    C2     .      .
 TME      H22    C2     .      .
 TME      C1     C2     H11    .
 TME      H13    C1     .      .
 TME      H12    C1     .      .
 TME      H11    C1     .      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
 TME      C1     C2        single      1.513    0.020
 TME      H11    C1        single      1.059    0.020
 TME      H12    C1        single      1.059    0.020
 TME      H13    C1        single      1.059    0.020
 TME      C2     C3        single      1.513    0.020
 TME      H21    C2        single      1.092    0.020
 TME      H22    C2        single      1.092    0.020
 TME      H31    C3        single      1.059    0.020
 TME      H32    C3        single      1.059    0.020
 TME      H33    C3        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
 TME      H31    C3     H32     109.470    3.000
 TME      H31    C3     H33     109.470    3.000
 TME      H32    C3     H33     109.470    3.000
 TME      H31    C3     C2      109.470    3.000
 TME      H32    C3     C2      109.470    3.000
 TME      H33    C3     C2      109.470    3.000
 TME      C3     C2     H21     109.470    3.000
 TME      C3     C2     H22     109.470    3.000
 TME      C3     C2     C1      109.500    3.000
 TME      H21    C2     H22     107.900    3.000
 TME      H21    C2     C1      109.470    3.000
 TME      H22    C2     C1      109.470    3.000
 TME      C2     C1     H13     109.470    3.000
 TME      C2     C1     H12     109.470    3.000
 TME      C2     C1     H11     109.470    3.000
 TME      H13    C1     H12     109.470    3.000
 TME      H13    C1     H11     109.470    3.000
 TME      H12    C1     H11     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
 TME      var_1    H33    C3     C2     C1       -60.011   20.000   3
 TME      var_2    C3     C2     C1     H11      -60.011   20.000   3
# ------------------------------------------------------
