data_comp_carborone_7104719_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     1.21435   1.70365   1.42265   
LIG   B3   B3   B     2.31596   2.04512   2.44591   
LIG   B5   B5   B     2.02577   3.09312   0.757163   
LIG   B7   B7   B     4.04816   1.49487   2.1402   
LIG   B8   B8   B     3.59674   3.16139   1.84319   
LIG   C10   C10   C     4.39291   0.848857   0.596022   
LIG   B11   B11   B     3.66465   3.44806   0.11777   
LIG   B13   B13   B     4.9036   2.45369   0.950156   
LIG   B2   B2   B     1.47847   1.36739   -0.064762   
LIG   B6   B6   B     3.1436   0.742949   -0.567813   
LIG   B9   B9   B     2.68889   2.39962   -0.90702   
LIG   B12   B12   B     4.3672   1.99814   -0.676769   
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   B3   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   B2   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B5   B8   SINGLE      
LIG   B5   B11   SINGLE      
LIG   B5   B2   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   C10   SINGLE      
LIG   B7   B13   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B8   B13   SINGLE      
LIG   C10   B13   SINGLE      
LIG   C10   B6   SINGLE      
LIG   C10   B12   SINGLE      
LIG   B11   B13   SINGLE      
LIG   B11   B9   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B13   B12   SINGLE      
LIG   B2   B6   SINGLE      
LIG   B2   B9   SINGLE      
LIG   B6   B9   SINGLE      
LIG   B6   B12   SINGLE      
LIG   B9   B12   SINGLE      
