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
RTC      RTC 'RHENIUM (I) TRICARBONYL             ' non-polymer         7   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_RTC
#
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
 RTC           O3     O    O         0.000     -0.099   -2.859    0.000
 RTC           C3     C    CSP       0.000     -0.063   -1.856    0.000
 RTC           RE     RE   RE        0.000      0.014    0.292    0.000
 RTC           C1     C    CSP       0.000      2.162    0.216    0.000
 RTC           O1     O    O         0.000      3.165    0.180    0.000
 RTC           C2     C    CSP       0.000     -2.135    0.369    0.000
 RTC           O2     O    O         0.000     -3.138    0.405    0.000
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
 RTC      O3     n/a    C3     START
 RTC      C3     O3     RE     .
 RTC      RE     C3     C2     .
 RTC      C1     RE     O1     .
 RTC      O1     C1     .      .
 RTC      C2     RE     O2     .
 RTC      O2     C2     .      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
 RTC      C1     RE        single      2.149    0.020
 RTC      C2     RE        single      2.150    0.020
 RTC      RE     C3        single      2.149    0.020
 RTC      O1     C1        triple      1.130    0.020
 RTC      O2     C2        triple      1.130    0.020
 RTC      C3     O3        triple      1.130    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
 RTC      O3     C3     RE      180.000    3.000
 RTC      C3     RE     C1       90.027    3.000
 RTC      C3     RE     C2       89.999    3.000
 RTC      C1     RE     C2      179.972    3.000
 RTC      RE     C1     O1      180.000    3.000
 RTC      RE     C2     O2      180.000    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
 RTC      var_1    O3     C3     RE     C2         0.000   20.000   1
 RTC      var_2    C3     RE     C1     O1         0.000   20.000   1
 RTC      var_3    C3     RE     C2     O2       180.000   20.000   1
# ------------------------------------------------------
