data_comp_carborone_4307919_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     3.70926   6.9482   3.33117   
LIG   C9   C9   C     2.63542   4.60988   4.35067   
LIG   B2   B2   B     2.6874   6.30332   4.25583   
LIG   B3   B3   B     4.09159   6.43688   1.93528   
LIG   B5   B5   B     4.32989   5.3634   3.58456   
LIG   B6   B6   B     1.27038   5.33849   3.59345   
LIG   B7   B7   B     2.90169   5.35842   1.02839   
LIG   B8   B8   B     4.24591   4.62084   1.91009   
LIG   B10   B10   B     1.41483   4.89494   1.91305   
LIG   B11   B11   B     3.57037   3.71182   3.28079   
LIG   B12   B12   B     1.77359   3.76565   3.19484   
LIG   B13   B13   B     2.7347   3.73076   1.6967   
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   B5   SINGLE      
LIG   C9   B2   SINGLE      
LIG   C9   B5   SINGLE      
LIG   C9   B6   SINGLE      
LIG   C9   B11   SINGLE      
LIG   C9   B12   SINGLE      
LIG   B2   B6   SINGLE      
LIG   B3   B5   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B5   B8   SINGLE      
LIG   B5   B11   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B12   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B10   SINGLE      
LIG   B7   B13   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B8   B13   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B10   B13   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B11   B13   SINGLE      
LIG   B12   B13   SINGLE      
