data_comp_carborone_4077137_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   C2A   C2A   C     6.48231   11.8803   0.96413   
LIG   C3A   C3A   C     5.4781   10.9076   0.507669   
LIG   B6A   B6A   B     7.92803   11.4825   0.53474   
LIG   B4A   B4A   B     6.11745   9.71973   -0.283433   
LIG   B5A   B5A   B     7.77549   10.0105   -0.272344   
LIG   B7A   B7A   B     6.73552   11.3219   -0.782785   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C2A   C3A   SINGLE      
LIG   C2A   B6A   SINGLE      
LIG   C2A   B7A   SINGLE      
LIG   C3A   B4A   SINGLE      
LIG   C3A   B7A   SINGLE      
LIG   B6A   B5A   SINGLE      
LIG   B6A   B7A   SINGLE      
LIG   B4A   B5A   SINGLE      
LIG   B4A   B7A   SINGLE      
LIG   B5A   B7A   SINGLE      
