data_comp_carborone_2012131_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   B1   B1   B     -0.283368   -2.61886   4.67061   
LIG   B2   B2   B     1.30165   -2.16869   4.06489   
LIG   B3   B3   B     0.657988   -3.8354   3.82073   
LIG   B4   B4   B     -1.09292   -3.75859   3.60081   
LIG   B5   B5   B     -1.48071   -2.00791   3.48153   
LIG   B6   B6   B     -0.0487936   -1.02718   3.88224   
LIG   B8   B8   B     -0.0511633   -4.19268   2.22534   
LIG   B10   B10   B     -0.673939   -1.10935   2.25144   
LIG   B11   B11   B     1.1077   -1.17009   2.60369   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   B1   B2   SINGLE      
LIG   B1   B3   SINGLE      
LIG   B1   B4   SINGLE      
LIG   B1   B5   SINGLE      
LIG   B1   B6   SINGLE      
LIG   B2   B3   SINGLE      
LIG   B2   B6   SINGLE      
LIG   B2   B11   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B10   B11   SINGLE      
