data_RUO
#

_chem_comp.id                                   RUO
_chem_comp.name                                 "oxo-centered triruthenium cluster"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "O Ru3"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2011-01-06
_chem_comp.pdbx_modified_date                   2011-04-22
_chem_comp.pdbx_ambiguous_flag                  Y
_chem_comp.pdbx_release_status                  REL
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       319.209
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    RUO
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag  Y
_chem_comp.pdbx_model_coordinates_db_code       3ASE
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 PDBJ
#   #
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.alt_atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.charge
_chem_comp_atom.pdbx_align
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_leaving_atom_flag
_chem_comp_atom.pdbx_stereo_config
_chem_comp_atom.model_Cartn_x
_chem_comp_atom.model_Cartn_y
_chem_comp_atom.model_Cartn_z
_chem_comp_atom.pdbx_model_Cartn_x_ideal
_chem_comp_atom.pdbx_model_Cartn_y_ideal
_chem_comp_atom.pdbx_model_Cartn_z_ideal
_chem_comp_atom.pdbx_component_atom_id
_chem_comp_atom.pdbx_component_comp_id
_chem_comp_atom.pdbx_ordinal
RUO  O1   O1   O   0  1  N  N  N  -36.161  -2.364  -20.915  ?  ?  ?  O1   RUO  1  
RUO  RU1  RU1  RU  0  0  N  N  N  -36.420  -1.104  -19.550  ?  ?  ?  RU1  RUO  2  
RUO  RU2  RU2  RU  0  0  N  N  N  -36.076  -1.796  -22.706  ?  ?  ?  RU2  RUO  3  
RUO  RU3  RU3  RU  0  0  N  N  N  -35.984  -4.197  -20.505  ?  ?  ?  RU3  RUO  4  
#   #
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_ordinal
RUO  O1  RU1  SING  N  N  1  
RUO  O1  RU2  SING  N  N  2  
RUO  O1  RU3  SING  N  N  3  
#   #
loop_
_pdbx_chem_comp_descriptor.comp_id
_pdbx_chem_comp_descriptor.type
_pdbx_chem_comp_descriptor.program
_pdbx_chem_comp_descriptor.program_version
_pdbx_chem_comp_descriptor.descriptor
RUO  InChI             InChI                 1.02   InChI=1S/O.3Ru  
RUO  InChIKey          InChI                 1.02   VRRCAPVAMMGJAC-UHFFFAOYSA-N  
RUO  SMILES_CANONICAL  CACTVS                3.370  "[Ru][O]([Ru])[Ru]"  
RUO  SMILES            CACTVS                3.370  "[Ru][O]([Ru])[Ru]"  
RUO  SMILES_CANONICAL  "OpenEye OEToolkits"  1.7.0  "O([Ru])([Ru])[Ru]"  
RUO  SMILES            "OpenEye OEToolkits"  1.7.0  "O([Ru])([Ru])[Ru]"  
#
_pdbx_chem_comp_audit.comp_id          RUO
_pdbx_chem_comp_audit.action_type      "Create component"
_pdbx_chem_comp_audit.date             2011-01-06
_pdbx_chem_comp_audit.processing_site  PDBJ
##
