data_comp_carborone_4300803_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   C2   C2   C     7.59594   -2.92047   0.52552   
LIG   B3   B3   B     8.73299   -1.96177   -0.454682   
LIG   C4   C4   C     10.2943   -2.25582   0.163093   
LIG   B5   B5   B     10.1745   -3.35876   1.50243   
LIG   B6   B6   B     8.49478   -3.74379   1.73471   
LIG   B7   B7   B     7.94791   -4.60817   0.341012   
LIG   B8   B8   B     8.10112   -3.51299   -1.06257   
LIG   B9   B9   B     9.7879   -3.11243   -1.26356   
LIG   B10   B10   B     10.6962   -3.93686   -0.0477746   
LIG   B11   B11   B     9.55087   -4.8656   0.942313   
LIG   C12   C12   C     9.31682   -4.65921   -0.747919   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C2   B3   SINGLE      
LIG   C2   B6   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C2   B8   SINGLE      
LIG   B3   C4   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3   B9   SINGLE      
LIG   C4   B5   SINGLE      
LIG   C4   B9   SINGLE      
LIG   C4   B10   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B5   B11   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   C12   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   C12   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   C12   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   C12   SINGLE      
LIG   B11   C12   SINGLE      
