data_comp_carborone_4101459_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   B3   B3   B     1.82039   -1.65417   3.14745   
LIG   B8   B8   B     3.22389   -2.8225   3.59109   
LIG   B4   B4   B     2.65258   -2.84564   5.36382   
LIG   B6   B6   B     3.20201   -0.0559103   5.09362   
LIG   B7   B7   B     2.5677   -0.00771176   3.38114   
LIG   B12   B12   B     3.41311   -1.34377   2.55594   
LIG   B13   B13   B     4.76113   -1.8514   3.55823   
LIG   B9   B9   B     4.31921   -2.68948   5.03337   
LIG   B5   B5   B     3.5903   -1.5115   6.15068   
LIG   B10   B10   B     4.80643   -0.965898   5.05345   
LIG   B11   B11   B     4.25474   -0.173515   3.58561   
LIG   C1   C1   C     2.0124   -1.45694   5.69791   
LIG   C2   C2   C     1.53   -0.762307   4.40954   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   B3   B8   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B12   SINGLE      
LIG   B3   C2   SINGLE      
LIG   B8   B4   SINGLE      
LIG   B8   B12   SINGLE      
LIG   B8   B13   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   C1   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B6   C1   SINGLE      
LIG   B6   C2   SINGLE      
LIG   B7   B12   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   C2   SINGLE      
LIG   B12   B13   SINGLE      
LIG   B12   B11   SINGLE      
LIG   B13   B9   SINGLE      
LIG   B13   B10   SINGLE      
LIG   B13   B11   SINGLE      
LIG   B9   B5   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B5   C1   SINGLE      
LIG   B10   B11   SINGLE      
LIG   C1   C2   SINGLE      
