data_NH3
# 
_chem_comp.id                                    NH3 
_chem_comp.name                                  AMMONIA 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "H3 N" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-09-30 
_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                        17.031 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     NH3 
_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        1U7G 
_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 
NH3 N   N   N 0 1 N N N 52.004 -12.697 -42.836 0.000  0.067  0.000  N   NH3 1 
NH3 HN1 1HN H 0 1 N N N 53.004 -12.697 -42.836 0.438  -0.312 0.825  HN1 NH3 2 
NH3 HN2 2HN H 0 1 N N N 51.670 -12.697 -41.893 0.495  -0.312 -0.792 HN2 NH3 3 
NH3 HN3 3HN H 0 1 N N N 51.671 -11.880 -43.307 -0.934 -0.312 -0.033 HN3 NH3 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 
NH3 N HN1 SING N N 1 
NH3 N HN2 SING N N 2 
NH3 N HN3 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 
NH3 SMILES           ACDLabs              10.04 N                           
NH3 SMILES_CANONICAL CACTVS               3.341 N                           
NH3 SMILES           CACTVS               3.341 N                           
NH3 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 N                           
NH3 SMILES           "OpenEye OEToolkits" 1.5.0 N                           
NH3 InChI            InChI                1.03  InChI=1S/H3N/h1H3           
NH3 InChIKey         InChI                1.03  QGZKDVFQNNGYKY-UHFFFAOYSA-N 
# 
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 
NH3 "SYSTEMATIC NAME" ACDLabs              10.04 ammonia 
NH3 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 azane   
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
NH3 "Create component"  1999-09-30 RCSB 
NH3 "Modify descriptor" 2011-06-04 RCSB 
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