data_6SE
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_chem_comp.id                                    6SE 
_chem_comp.name                                  triselane 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "H2 Se3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2011-08-05 
_chem_comp.pdbx_modified_date                    2012-05-11 
_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                        238.896 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     6SE 
_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        3SZ0 
_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 
6SE SE1  SE1  SE 0 0 N N N 48.937 -18.219 3.493 -1.821 -0.504 0.000  SE1  6SE 1 
6SE SE2  SE2  SE 0 0 N N N 49.992 -16.151 3.444 0.000  0.997  -0.000 SE2  6SE 2 
6SE SE3  SE3  SE 0 0 N N N 49.721 -14.876 5.349 1.821  -0.504 0.000  SE3  6SE 3 
6SE HSE1 HSE1 H  0 0 N Y N 49.184 -18.922 2.237 -3.025 0.488  -0.000 HSE1 6SE 4 
6SE HSE3 HSE3 H  0 0 N Y N 50.428 -13.608 5.192 3.025  0.488  -0.000 HSE3 6SE 5 
# 
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 
6SE SE2 SE1  SING N N 1 
6SE SE2 SE3  SING N N 2 
6SE SE1 HSE1 SING N N 3 
6SE SE3 HSE3 SING N N 4 
# 
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 
6SE SMILES           ACDLabs              12.01 "[SeH][Se][SeH]"            
6SE InChI            InChI                1.03  InChI=1S/H2Se3/c1-3-2/h1-2H 
6SE InChIKey         InChI                1.03  GCOIQPYHRLRHMQ-UHFFFAOYSA-N 
6SE SMILES_CANONICAL CACTVS               3.370 "[SeH][Se][SeH]"            
6SE SMILES           CACTVS               3.370 "[SeH][Se][SeH]"            
6SE SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "[SeH][Se][SeH]"            
6SE SMILES           "OpenEye OEToolkits" 1.7.2 "[SeH][Se][SeH]"            
# 
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 
6SE "SYSTEMATIC NAME" ACDLabs 12.01 triselane 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
6SE "Create component" 2011-08-05 RCSB 
#