data_comp_carborone_7115317_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    5.06674   3.80003   5.65157   
LIG   C1   C1   C     5.61564   2.62575   4.03044   
LIG   C2   C2   C     3.54684   2.39051   5.89311   
LIG   B3   B3   B     2.62111   3.63393   5.33454   
LIG   B4   B4   B     3.45283   4.44271   3.96392   
LIG   B5   B5   B     4.98805   3.89606   3.22412   
LIG   B6   B6   B     4.30978   1.57948   4.5569   
LIG   B7   B7   B     2.42048   1.91554   4.82529   
LIG   B8   B8   B     2.1303   3.23962   3.64391   
LIG   B9   B9   B     3.42473   3.36284   2.50612   
LIG   B10   B10   B     4.66823   2.17095   2.75272   
LIG   B11   B11   B     3.01671   1.80352   3.15416   
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   C1   SINGLE      
LIG   Ta1   C2   SINGLE      
LIG   Ta1   B3   SINGLE      
LIG   Ta1   B4   SINGLE      
LIG   Ta1   B5   SINGLE      
LIG   Ta1   B6   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   B6   SINGLE      
LIG   C1   B10   SINGLE      
LIG   C2   B3   SINGLE      
LIG   C2   B6   SINGLE      
LIG   C2   B7   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B11   SINGLE      
LIG   B10   B11   SINGLE      
