data_comp_carborone_4064097_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   Lu   Lu   Lu    3.43669   2.40826   3.55975   
LIG   B1   B1   B     5.29978   2.60276   1.81153   
LIG   B2   B2   B     5.91748   2.94236   3.42937   
LIG   B3   B3   B     5.72613   1.42526   4.27944   
LIG   B4   B4   B     7.33511   1.91743   3.69307   
LIG   B5   B5   B     6.83158   0.221293   3.58105   
LIG   B6   B6   B     6.26597   -0.066527   1.92779   
LIG   B7   B7   B     6.38281   1.44331   1.01725   
LIG   B8   B8   B     7.0622   2.68109   2.10047   
LIG   B9   B9   B     7.64555   0.976654   2.18873   
LIG   C28   C28   C     5.14808   0.301845   3.20322   
LIG   C29   C29   C     4.90573   0.989908   1.80538   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Lu   B1   SINGLE      
LIG   Lu   B2   SINGLE      
LIG   Lu   B3   SINGLE      
LIG   Lu   C28   SINGLE      
LIG   Lu   C29   SINGLE      
LIG   B1   B2   SINGLE      
LIG   B1   B7   SINGLE      
LIG   B1   B8   SINGLE      
LIG   B1   C29   SINGLE      
LIG   B2   B3   SINGLE      
LIG   B2   B4   SINGLE      
LIG   B2   B8   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B5   SINGLE      
LIG   B3   C28   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   C28   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B9   SINGLE      
LIG   B6   C28   SINGLE      
LIG   B6   C29   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B9   SINGLE      
LIG   B7   C29   SINGLE      
LIG   B8   B9   SINGLE      
LIG   C28   C29   SINGLE      
