data_HG2
# 
_chem_comp.id                                    HG2 
_chem_comp.name                                  DIBROMOMERCURY 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "Br2 Hg" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2004-09-20 
_chem_comp.pdbx_modified_date                    2011-06-04 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        360.398 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     HG2 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1T83 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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 
HG2 HG  HG  HG 0 0 N N N 44.234 9.981  -2.078 0.000 0.000 0.000  HG  HG2 1 
HG2 BR1 BR1 BR 0 0 N N N 46.181 9.777  -0.147 0.000 0.000 -2.450 BR1 HG2 2 
HG2 BR2 BR2 BR 0 0 N N N 44.527 12.279 -0.833 0.000 0.000 2.450  BR2 HG2 3 
# 
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 
HG2 HG BR1 SING N N 1 
HG2 HG BR2 SING N N 2 
# 
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 
HG2 SMILES           ACDLabs              10.04 "Br[Hg]Br"                        
HG2 SMILES_CANONICAL CACTVS               3.341 "Br[Hg]Br"                        
HG2 SMILES           CACTVS               3.341 "Br[Hg]Br"                        
HG2 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "Br[Hg]Br"                        
HG2 SMILES           "OpenEye OEToolkits" 1.5.0 "Br[Hg]Br"                        
HG2 InChI            InChI                1.03  InChI=1S/2BrH.Hg/h2*1H;/q;;+2/p-2 
HG2 InChIKey         InChI                1.03  NGYIMTKLQULBOO-UHFFFAOYSA-L       
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
HG2 "SYSTEMATIC NAME" ACDLabs              10.04 "mercury dibromide" 
HG2 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 dibromomercury      
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
HG2 "Create component"  2004-09-20 RCSB 
HG2 "Modify descriptor" 2011-06-04 RCSB 
#