data_comp_carborone_4076149_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     1.45125   0.967907   17.9596   
LIG   C2   C2   C     2.89673   1.47964   18.3341   
LIG   B3   B3   B     4.03152   0.290586   18.2917   
LIG   B6   B6   B     2.29251   1.99457   16.8435   
LIG   B7   B7   B     3.97279   1.50741   17.0261   
LIG   B10   B10   B     1.36432   0.568352   16.3103   
LIG   B11   B11   B     3.0634   0.862142   15.6646   
LIG   B4   B4   B     3.19054   -1.12816   17.7401   
LIG   B5   B5   B     1.50004   -0.65275   17.5501   
LIG   B8   B8   B     4.16063   -0.172001   16.576   
LIG   B9   B9   B     2.57619   -0.782018   16.1111   
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   C2   SINGLE      
LIG   C1   B6   SINGLE      
LIG   C1   B10   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C2   B3   SINGLE      
LIG   C2   B6   SINGLE      
LIG   C2   B7   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B5   SINGLE      
LIG   B10   B9   SINGLE      
LIG   B11   B8   SINGLE      
LIG   B11   B9   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B8   B9   SINGLE      
