data_NH2
# 
_chem_comp.id                                    NH2 
_chem_comp.name                                  "AMINO GROUP" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "H2 N" 
_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                   Y 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        16.023 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     NH2 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        "OpenEye OEToolkits" 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        2FLY 
_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 
NH2 N   N   N 0 1 N N N 10.091 8.978 -7.810 0.000  0.000  0.000  N   NH2 1 
NH2 HN1 1HN H 0 1 N N N 9.517  8.769 -7.044 -0.385 -0.545 -0.771 HN1 NH2 2 
NH2 HN2 2HN H 0 1 N N N 10.323 9.890 -8.082 1.020  0.000  0.000  HN2 NH2 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 
NH2 N HN1 SING N N 1 
NH2 N HN2 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 
NH2 SMILES           ACDLabs              10.04 N                         
NH2 InChI            InChI                1.02b InChI=1/H3N/h1H3          
NH2 InChIKey         InChI                1.02b QGZKDVFQNNGYKY-UHFFFAOYAF 
NH2 SMILES_CANONICAL CACTVS               3.341 [NH2]                     
NH2 SMILES           CACTVS               3.341 [NH2]                     
NH2 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 [NH2]                     
NH2 SMILES           "OpenEye OEToolkits" 1.5.0 [NH2]                     
# 
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 
NH2 "SYSTEMATIC NAME" ACDLabs              10.04 ammonia      
NH2 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 $l^{2}-azane 
# 
