data_comp_carborone_7101920_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   B10   B10   B     4.34857   3.24671   12.8985   
LIG   C12   C12   C     5.4649   4.55882   13.0907   
LIG   B13   B13   B     6.04996   2.96422   13.3456   
LIG   C1   C1   C     3.80185   3.77875   16.2571   
LIG   B2   B2   B     3.71476   5.0227   15.3398   
LIG   B3   B3   B     4.52853   2.46892   15.8632   
LIG   B5   B5   B     5.47465   4.27658   15.9182   
LIG   B6   B6   B     3.86955   4.84282   13.5574   
LIG   B7   B7   B     4.77739   2.05595   14.1137   
LIG   B8   B8   B     6.12857   2.69693   15.0669   
LIG   B9   B9   B     5.22526   5.46987   14.4878   
LIG   B11   B11   B     6.49463   4.27912   14.4596   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   B10   C12   SINGLE      
LIG   B10   B13   SINGLE      
LIG   B10   B6   SINGLE      
LIG   B10   B7   SINGLE      
LIG   C12   B13   SINGLE      
LIG   C12   B6   SINGLE      
LIG   C12   B9   SINGLE      
LIG   C12   B11   SINGLE      
LIG   B13   B7   SINGLE      
LIG   B13   B8   SINGLE      
LIG   B13   B11   SINGLE      
LIG   C1   B2   SINGLE      
LIG   C1   B3   SINGLE      
LIG   C1   B5   SINGLE      
LIG   B2   B6   SINGLE      
LIG   B2   B9   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B5   B8   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B11   SINGLE      
LIG   B6   B9   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B9   B11   SINGLE      
