data_comp_carborone_4075818_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   C1   C1   C     6.57681   1.45986   8.17909   
LIG   B3   B3   B     6.94169   2.00122   9.75803   
LIG   B4   B4   B     5.75616   0.678531   9.43483   
LIG   B6   B6   B     7.92376   0.498506   7.60775   
LIG   B7   B7   B     8.49972   1.19702   10.3543   
LIG   C8   C8   C     6.92631   0.541194   10.6783   
LIG   B11   B11   B     9.12962   0.225111   8.98103   
LIG   B5   B5   B     6.35612   -0.241739   8.08134   
LIG   B9   B9   B     6.54198   -0.867829   9.72373   
LIG   B10   B10   B     7.88954   -1.00628   8.58263   
LIG   B12   B12   B     8.19993   -0.548069   10.2554   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C1   B3   SINGLE      
LIG   C1   B4   SINGLE      
LIG   C1   B6   SINGLE      
LIG   C1   B5   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   C8   SINGLE      
LIG   B4   C8   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B7   C8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   B12   SINGLE      
LIG   C8   B9   SINGLE      
LIG   C8   B12   SINGLE      
LIG   B11   B10   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B10   B12   SINGLE      
