data_HOH
# 
_chem_comp.id                                    HOH 
_chem_comp.name                                  WATER 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAS 
_chem_comp.formula                               "H2 O" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         MTO 
_chem_comp.formula_weight                        18.015 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     HOH 
_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        1NHE 
_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 
HOH O  O  O 0 1 N N N -23.107 18.401 -21.626 -0.064 0.000 0.000  O  HOH 1 
HOH H1 1H H 0 1 N N N -22.157 18.401 -21.626 0.512  0.000 -0.776 H1 HOH 2 
HOH H2 2H H 0 1 N N N -23.424 18.401 -20.730 0.512  0.000 0.776  H2 HOH 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 
HOH O H1 SING N N 1 
HOH O H2 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 
HOH SMILES           ACDLabs              10.04 O                         
HOH InChI            InChI                1.02b InChI=1/H2O/h1H2          
HOH InChIKey         InChI                1.02b XLYOFNOQVPJJNP-UHFFFAOYAF 
HOH SMILES_CANONICAL CACTVS               3.341 O                         
HOH SMILES           CACTVS               3.341 O                         
HOH SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 O                         
HOH SMILES           "OpenEye OEToolkits" 1.5.0 O                         
# 
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 
HOH "SYSTEMATIC NAME" ACDLabs              10.04 water   
HOH "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 oxidane 
# 
