data_F60
# 
_chem_comp.id                                    F60 
_chem_comp.name                                  1H-indol-6-ol 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C8 H7 N O" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2015-10-15 
_chem_comp.pdbx_modified_date                    2016-03-11 
_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                        133.147 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     F60 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        5E9I 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
F60 O01 O1 O 0 1 N N N -28.495 -11.013 0.591  -3.099 0.618  -0.027 O01 F60 1  
F60 C02 C1 C 0 1 Y N N -27.426 -10.112 0.496  -1.814 0.175  -0.021 C02 F60 2  
F60 C03 C2 C 0 1 Y N N -26.129 -10.591 0.343  -0.775 1.087  -0.018 C03 F60 3  
F60 C04 C3 C 0 1 Y N N -25.048 -9.667  0.245  0.540  0.635  -0.007 C04 F60 4  
F60 C05 C4 C 0 1 Y N N -25.291 -8.314  0.296  0.794  -0.749 0.002  C05 F60 5  
F60 C06 C5 C 0 1 Y N N -24.003 -7.704  0.160  2.252  -0.893 0.013  C06 F60 6  
F60 C07 C6 C 0 1 Y N N -23.050 -8.720  0.040  2.769  0.345  0.010  C07 F60 7  
F60 N08 N1 N 0 1 Y N N -23.692 -9.872  0.091  1.760  1.272  -0.001 N08 F60 8  
F60 C09 C7 C 0 1 Y N N -26.616 -7.827  0.447  -0.269 -1.654 -0.001 C09 F60 9  
F60 C10 C8 C 0 1 Y N N -27.675 -8.733  0.546  -1.555 -1.193 -0.013 C10 F60 10 
F60 H1  H1 H 0 1 N N N -29.308 -10.531 0.691  -3.474 0.751  0.855  H1  F60 11 
F60 H2  H2 H 0 1 N N N -25.943 -11.654 0.299  -0.984 2.147  -0.025 H2  F60 12 
F60 H3  H3 H 0 1 N N N -23.802 -6.643  0.152  2.806  -1.820 0.022  H3  F60 13 
F60 H4  H4 H 0 1 N N N -21.984 -8.587  -0.074 3.824  0.577  0.016  H4  F60 14 
F60 H5  H5 H 0 1 N N N -23.256 -10.770 0.027  1.887  2.234  -0.005 H5  F60 15 
F60 H6  H6 H 0 1 N N N -26.804 -6.764  0.485  -0.076 -2.717 0.005  H6  F60 16 
F60 H7  H7 H 0 1 N N N -28.686 -8.371  0.661  -2.376 -1.894 -0.011 H7  F60 17 
# 
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 
F60 C07 N08 SING Y N 1  
F60 C07 C06 DOUB Y N 2  
F60 N08 C04 SING Y N 3  
F60 C06 C05 SING Y N 4  
F60 C04 C05 DOUB Y N 5  
F60 C04 C03 SING Y N 6  
F60 C05 C09 SING Y N 7  
F60 C03 C02 DOUB Y N 8  
F60 C09 C10 DOUB Y N 9  
F60 C02 C10 SING Y N 10 
F60 C02 O01 SING N N 11 
F60 O01 H1  SING N N 12 
F60 C03 H2  SING N N 13 
F60 C06 H3  SING N N 14 
F60 C07 H4  SING N N 15 
F60 N08 H5  SING N N 16 
F60 C09 H6  SING N N 17 
F60 C10 H7  SING N N 18 
# 
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 
F60 SMILES           ACDLabs              12.01 "Oc1ccc2c(c1)ncc2"                                     
F60 InChI            InChI                1.03  "InChI=1S/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H" 
F60 InChIKey         InChI                1.03  XAWPKHNOFIWWNZ-UHFFFAOYSA-N                            
F60 SMILES_CANONICAL CACTVS               3.385 "Oc1ccc2cc[nH]c2c1"                                    
F60 SMILES           CACTVS               3.385 "Oc1ccc2cc[nH]c2c1"                                    
F60 SMILES_CANONICAL "OpenEye OEToolkits" 1.9.2 "c1cc(cc2c1cc[nH]2)O"                                  
F60 SMILES           "OpenEye OEToolkits" 1.9.2 "c1cc(cc2c1cc[nH]2)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 
F60 "SYSTEMATIC NAME" ACDLabs              12.01 1H-indol-6-ol 
F60 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.9.2 1H-indol-6-ol 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
F60 "Create component" 2015-10-15 EBI  
F60 "Initial release"  2016-03-16 RCSB 
# 
