data_NAO
# 
_chem_comp.id                                    NAO 
_chem_comp.name                                  "SODIUM ION, 1 WATER COORDINATED" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETIC 
_chem_comp.formula                               "H2 Na O" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-22 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   OBS 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        41.005 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     NAO 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   Y 
_chem_comp.pdbx_model_coordinates_db_code        2BMI 
_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 
NAO NA   NA   NA 1  0 N N N -12.111 47.619 57.686 ? ? ? NA   NAO 1 
NAO O1   O1   O  -1 1 N N N -11.102 49.154 58.985 ? ? ? O1   NAO 2 
NAO HO11 1HO1 H  0  0 N N N -10.348 48.968 58.436 ? ? ? HO11 NAO 3 
NAO HO12 2HO1 H  0  0 N N N ?       ?      ?      ? ? ? HO12 NAO 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 
NAO NA O1   SING N N 1 
NAO O1 HO11 SING N N 2 
NAO O1 HO12 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 
NAO InChI            InChI                1.02b InChI=1/Na.H2O/h;1H2/rH2NaO/c1-2/h2H2 
NAO InChIKey         InChI                1.02b NASFKTWZWDYFER-YMMUHFJBAE             
NAO SMILES_CANONICAL CACTVS               3.341 [OH2-][Na+]                           
NAO SMILES           CACTVS               3.341 [OH2-][Na+]                           
NAO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 [OH2-][Na+]                           
NAO SMILES           "OpenEye OEToolkits" 1.5.0 [OH2-][Na+]                           
# 
