data_comp_carborone_4070893_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   Zr1   Zr1   Zr    6.82134   6.97879   2.82324   
LIG   C1   C1   C     5.0759   5.55451   3.79331   
LIG   C2   C2   C     4.32589   6.72373   3.02642   
LIG   B3   B3   B     4.66862   6.73761   1.41201   
LIG   B4   B4   B     5.70593   5.3532   1.16218   
LIG   B5   B5   B     5.93931   4.62331   2.72757   
LIG   B6   B6   B     3.36703   5.43947   3.58301   
LIG   B7   B7   B     3.09805   6.17432   1.99548   
LIG   B8   B8   B     3.97829   5.24808   0.78902   
LIG   B9   B9   B     4.79314   3.92317   1.63496   
LIG   B10   B10   B     4.41159   4.0382   3.35847   
LIG   B11   B11   B     3.16848   4.42992   2.15834   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Zr1   C1   SINGLE      
LIG   Zr1   C2   SINGLE      
LIG   Zr1   B3   SINGLE      
LIG   Zr1   B4   SINGLE      
LIG   Zr1   B5   SINGLE      
LIG   C1   C2   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      
