data_comp_carborone_4075206_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     0.570591   18.9718   13.3165   
LIG   B2   B2   B     1.20921   19.4021   11.9233   
LIG   B3   B3   B     -0.352628   18.3104   12.1716   
LIG   B4   B4   B     0.598357   17.3946   13.4752   
LIG   B5   B5   B     2.07829   18.3904   13.1993   
LIG   B7   B7   B     0.345687   16.6649   11.7923   
LIG   B8   B8   B     1.95473   16.739   12.5544   
LIG   B9   B9   B     2.49616   18.0648   11.3595   
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   B2   SINGLE      
LIG   C1   B3   SINGLE      
LIG   C1   B4   SINGLE      
LIG   C1   B5   SINGLE      
LIG   B2   B3   SINGLE      
LIG   B2   B5   SINGLE      
LIG   B2   B9   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B7   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B5   B8   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B8   B9   SINGLE      
