data_comp_carborone_4078361_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     -3.92201   1.33995   17.3229   
LIG   B2   B2   B     -2.73037   0.261656   18.0255   
LIG   B3   B3   B     -3.28099   -0.0016666   16.4032   
LIG   B4   B4   B     -3.48651   1.56327   15.6055   
LIG   B5   B5   B     -3.09119   2.84322   16.8564   
LIG   B6   B6   B     -2.61259   1.96325   18.3392   
LIG   C7   C7   C     -1.60089   -0.0233324   16.7826   
LIG   C8   C8   C     -2.02646   0.644974   15.4299   
LIG   B10   B10   B     -1.38155   2.74322   17.3363   
LIG   B11   B11   B     -1.15434   1.04662   17.9464   
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   C7   SINGLE      
LIG   B2   B11   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   C7   SINGLE      
LIG   B3   C8   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   C8   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   C7   C8   SINGLE      
LIG   C7   B11   SINGLE      
LIG   B10   B11   SINGLE      
