data_comp_carborone_4071698_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    -0.418183   11.0844   19.5301   
LIG   B3   B3   B     -2.39887   10.1829   18.4216   
LIG   B4   B4   B     -1.32347   8.85703   18.9025   
LIG   B5   B5   B     -1.15499   9.04694   20.6342   
LIG   B6   B6   B     -3.81649   10.0612   20.9402   
LIG   B7   B7   B     -4.00012   9.91812   19.1715   
LIG   B8   B8   B     -3.05009   8.53499   18.6049   
LIG   B9   B9   B     -2.25521   7.816   20.0222   
LIG   B10   B10   B     -2.70998   8.77893   21.4513   
LIG   B11   B11   B     -3.91868   8.46839   20.1786   
LIG   C1   C1   C     -2.12803   10.3469   21.1105   
LIG   C2   C2   C     -2.83232   10.9701   19.8267   
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   B3   SINGLE      
LIG   Ti1   B4   SINGLE      
LIG   Ti1   B5   SINGLE      
LIG   Ti1   C1   SINGLE      
LIG   Ti1   C2   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3   C2   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B5   C1   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B6   C1   SINGLE      
LIG   B6   C2   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   C2   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B11   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   C1   SINGLE      
LIG   C1   C2   SINGLE      
