data_comp_carborone_7010765_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   Ta4   Ta4   Ta    2.23781   11.2332   10.0754   
LIG   C1   C1   C     1.98596   9.49077   8.33701   
LIG   C2   C2   C     0.599719   8.82858   7.80957   
LIG   B3   B3   B     0.56677   10.4422   8.42424   
LIG   B5   B5   B     2.46826   8.78674   9.77572   
LIG   B6   B6   B     1.76031   7.77526   8.4994   
LIG   B7   B7   B     -0.726946   9.22334   8.80942   
LIG   B8   B8   B     -0.0285773   10.2003   10.1032   
LIG   B9   B9   B     1.17624   9.16331   10.9581   
LIG   B10   B10   B     1.20826   7.5606   10.1596   
LIG   B11   B11   B     0.0205917   7.60608   8.82016   
LIG   B12   B12   B     -0.327524   8.45018   10.3448   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Ta4   C1   SINGLE      
LIG   Ta4   B3   SINGLE      
LIG   Ta4   B5   SINGLE      
LIG   Ta4   B8   SINGLE      
LIG   Ta4   B9   SINGLE      
LIG   C1   C2   SINGLE      
LIG   C1   B3   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   B6   SINGLE      
LIG   C2   B3   SINGLE      
LIG   C2   B6   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C2   B11   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   B12   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B12   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B11   B12   SINGLE      
