data_comp_carborone_7132101_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   Ti1   Ti1   Ti    -5.61177   4.5855   11.7175   
LIG   Ti2   Ti2   Ti    -8.20714   4.64758   14.9782   
LIG   B1   B1   B     -7.41832   3.08426   11.1472   
LIG   B2   B2   B     -7.96888   4.76467   11.3408   
LIG   B3   B3   B     -9.08963   4.79323   12.7333   
LIG   B4   B4   B     -9.19934   3.15941   13.3591   
LIG   B5   B5   B     -8.225   2.03363   12.35   
LIG   B6   B6   B     -9.08777   3.43146   11.6264   
LIG   B7   B7   B     -7.66637   2.51761   13.9497   
LIG   B8   B8   B     -6.52458   2.50709   12.5436   
LIG   B9   B9   B     -7.41562   5.31929   12.9191   
LIG   B10   B10   B     -6.48253   3.82827   13.717   
LIG   B11   B11   B     -6.4779   6.78026   12.5807   
LIG   B12   B12   B     -7.60163   6.80581   13.8754   
LIG   B13   B13   B     -5.81826   4.04471   15.348   
LIG   B14   B14   B     -4.74796   3.97406   14.0005   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Ti1   B1   SINGLE      
LIG   Ti1   B2   SINGLE      
LIG   Ti1   B8   SINGLE      
LIG   Ti1   B9   SINGLE      
LIG   Ti1   B10   SINGLE      
LIG   Ti1   B11   SINGLE      
LIG   Ti1   B14   SINGLE      
LIG   Ti2   B3   SINGLE      
LIG   Ti2   B4   SINGLE      
LIG   Ti2   B7   SINGLE      
LIG   Ti2   B9   SINGLE      
LIG   Ti2   B10   SINGLE      
LIG   Ti2   B12   SINGLE      
LIG   Ti2   B13   SINGLE      
LIG   B1   B2   SINGLE      
LIG   B1   B5   SINGLE      
LIG   B1   B6   SINGLE      
LIG   B1   B8   SINGLE      
LIG   B2   B3   SINGLE      
LIG   B2   B6   SINGLE      
LIG   B2   B9   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B6   SINGLE      
LIG   B3   B9   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B6   SINGLE      
LIG   B4   B7   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B7   SINGLE      
LIG   B5   B8   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B10   SINGLE      
LIG   B8   B10   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B11   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B10   B13   SINGLE      
LIG   B10   B14   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B13   B14   SINGLE      
