data_ARF
# 
_chem_comp.id                                    ARF 
_chem_comp.name                                  FORMAMIDE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C H3 N O" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2006-09-21 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        45.041 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ARF 
_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        ? 
_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 
ARF N   N   N 0 1 N N N 19.174 18.470 -23.140 0.982  -0.250 -0.049 N   ARF 1 
ARF C   C   C 0 1 N N N 19.117 19.151 -24.221 1.566  -1.032 0.912  C   ARF 2 
ARF O   O   O 0 1 N N N 18.842 20.454 -24.189 1.014  -1.504 1.898  O   ARF 3 
ARF HN1 1HN H 0 1 N N N 18.992 19.039 -22.338 -0.003 -0.020 0.032  HN1 ARF 4 
ARF HN2 2HN H 0 1 N N N 19.376 17.491 -23.101 1.509  0.106  -0.840 HN2 ARF 5 
ARF H   H   H 0 1 N N N 19.294 18.665 -25.169 2.634  -1.199 0.697  H   ARF 6 
# 
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 
ARF N C   SING N N 1 
ARF N HN1 SING N N 2 
ARF N HN2 SING N N 3 
ARF C O   DOUB N N 4 
ARF C H   SING N N 5 
# 
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 
ARF SMILES           ACDLabs              10.04 O=CN                                     
ARF InChI            InChI                1.02b InChI=1/CH3NO/c2-1-3/h1H,(H2,2,3)/f/h2H2 
ARF InChIKey         InChI                1.02b ZHNUHDYFZUAESO-RZDQGJFACD                
ARF SMILES_CANONICAL CACTVS               3.341 NC=O                                     
ARF SMILES           CACTVS               3.341 NC=O                                     
ARF SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C(=O)N                                   
ARF SMILES           "OpenEye OEToolkits" 1.5.0 C(=O)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 
ARF "SYSTEMATIC NAME" ACDLabs              10.04 formamide   
ARF "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 methanamide 
# 
