data_comp_carborone_4323060_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     4.34253   11.8654   19.7129   
LIG   C2   C2   C     2.50095   11.0836   19.0517   
LIG   B4   B4   B     5.49289   10.7064   19.2721   
LIG   B5   B5   B     4.79603   10.837   20.9293   
LIG   B6   B6   B     3.06184   11.2228   20.6794   
LIG   B7   B7   B     2.86923   9.59387   18.3264   
LIG   B8   B8   B     4.6617   9.29651   18.4756   
LIG   B9   B9   B     5.07408   9.24139   20.2074   
LIG   B10   B10   B     3.59644   9.56631   21.1289   
LIG   B11   B11   B     2.25331   9.77374   20.0148   
LIG   B12   B12   B     3.51971   8.58865   19.6521   
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   B4   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   B6   SINGLE      
LIG   C2   B6   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C2   B11   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   B12   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B12   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B11   B12   SINGLE      
