data_comp_carborone_4088396_1
_chem_comp.pdbx_type        HETAIN
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.orig_atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.model_Cartn_x
_chem_comp_atom.model_Cartn_y
_chem_comp_atom.model_Cartn_z
LIG   Ta1   Ta1   Ta    8.06677   9.7342   14.2211   
LIG   B3   B3   B     6.50908   9.76839   16.1212   
LIG   B4   B4   B     5.7822   10.2481   14.5129   
LIG   B5   B5   B     6.67647   11.7072   14.0212   
LIG   B6   B6   B     7.0095   12.5161   16.7662   
LIG   B7   B7   B     6.18059   11.0546   17.2962   
LIG   B8   B8   B     4.96082   10.6276   16.0668   
LIG   B9   B9   B     5.06586   11.8479   14.7729   
LIG   B10   B10   B     6.34402   12.9947   15.2365   
LIG   B11   B11   B     5.28964   12.3291   16.5062   
LIG   C1   C1   C     7.77267   12.0573   15.2627   
LIG   C2   C2   C     7.6362   10.9703   16.4114   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Ta1   B3   SINGLE      
LIG   Ta1   B4   SINGLE      
LIG   Ta1   B5   SINGLE      
LIG   Ta1   C1   SINGLE      
LIG   Ta1   C2   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3   C2   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B5   C1   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B6   C1   SINGLE      
LIG   B6   C2   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   C2   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B11   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   C1   SINGLE      
LIG   C1   C2   SINGLE      
