data_comp_carborone_4069962_2
_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   Hf2   Hf1'   Hf    2.22666   13.0236   7.34172   
LIG   C20   C1'   C     2.89529   13.6867   9.36127   
LIG   C19   C3'   C     3.46584   11.3216   7.99248   
LIG   B18   B2'   B     3.58863   12.1598   9.53414   
LIG   B17   B4'   B     4.54273   12.0102   6.98839   
LIG   B16   B5'   B     4.58821   13.7724   7.10443   
LIG   B15   B6'   B     3.69927   14.6963   8.26008   
LIG   B14   B7'   B     4.25666   14.0836   9.97225   
LIG   B13   B8'   B     5.43671   12.6945   9.60519   
LIG   B12   B9'   B     5.00492   11.3877   8.64372   
LIG   B11   B10'   B     5.85635   12.7552   7.95222   
LIG   B10   B11'   B     5.44906   14.2289   8.62004   
LIG   Hf1   Hf1'   Hf    4.62569   13.0236   4.499   
LIG   C10   C1'   C     3.95705   13.6867   2.47945   
LIG   C9   C3'   C     3.38651   11.3216   3.84823   
LIG   B9   B2'   B     3.26372   12.1598   2.30657   
LIG   B8   B4'   B     2.30962   12.0102   4.85232   
LIG   B7   B5'   B     2.26414   13.7724   4.73629   
LIG   B6   B6'   B     3.15308   14.6963   3.58063   
LIG   B5   B7'   B     2.59569   14.0836   1.86846   
LIG   B4   B8'   B     1.41563   12.6945   2.23553   
LIG   B3   B9'   B     1.84742   11.3877   3.19699   
LIG   B2   B10'   B     0.995997   12.7552   3.88849   
LIG   B1   B11'   B     1.40329   14.2289   3.22067   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Hf2   C20   SINGLE      
LIG   Hf2   C19   SINGLE      
LIG   Hf2   B18   SINGLE      
LIG   Hf2   B17   SINGLE      
LIG   Hf2   B16   SINGLE      
LIG   Hf2   B15   SINGLE      
LIG   Hf2   B8   SINGLE      
LIG   Hf2   B7   SINGLE      
LIG   C20   B18   SINGLE      
LIG   C20   B15   SINGLE      
LIG   C20   B14   SINGLE      
LIG   C19   B18   SINGLE      
LIG   C19   B17   SINGLE      
LIG   C19   B12   SINGLE      
LIG   B18   B13   SINGLE      
LIG   B18   B12   SINGLE      
LIG   B17   B16   SINGLE      
LIG   B17   B12   SINGLE      
LIG   B17   B11   SINGLE      
LIG   B17   Hf1   SINGLE      
LIG   B16   B15   SINGLE      
LIG   B16   B11   SINGLE      
LIG   B16   B10   SINGLE      
LIG   B16   Hf1   SINGLE      
LIG   B15   B14   SINGLE      
LIG   B15   B10   SINGLE      
LIG   B14   B13   SINGLE      
LIG   B14   B10   SINGLE      
LIG   B13   B12   SINGLE      
LIG   B13   B11   SINGLE      
LIG   B13   B10   SINGLE      
LIG   B12   B11   SINGLE      
LIG   B11   B10   SINGLE      
LIG   Hf1   C10   SINGLE      
LIG   Hf1   C9   SINGLE      
LIG   Hf1   B9   SINGLE      
LIG   Hf1   B8   SINGLE      
LIG   Hf1   B7   SINGLE      
LIG   Hf1   B6   SINGLE      
LIG   C10   B9   SINGLE      
LIG   C10   B6   SINGLE      
LIG   C10   B5   SINGLE      
LIG   C9   B9   SINGLE      
LIG   C9   B8   SINGLE      
LIG   C9   B3   SINGLE      
LIG   B9   B4   SINGLE      
LIG   B9   B3   SINGLE      
LIG   B8   B7   SINGLE      
LIG   B8   B3   SINGLE      
LIG   B8   B2   SINGLE      
LIG   B7   B6   SINGLE      
LIG   B7   B2   SINGLE      
LIG   B7   B1   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   B1   SINGLE      
LIG   B5   B4   SINGLE      
LIG   B5   B1   SINGLE      
LIG   B4   B3   SINGLE      
LIG   B4   B2   SINGLE      
LIG   B4   B1   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B2   B1   SINGLE      
