data_comp_carborone_4329259_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     6.80433   4.30159   4.10147   
LIG   C3   C3   C     9.25046   2.26391   4.69109   
LIG   C4   C4   C     6.75449   3.38528   5.29055   
LIG   B5   B5   B     7.36391   3.47643   2.86069   
LIG   B6   B6   B     8.75074   2.31111   3.1955   
LIG   B7   B7   B     8.08182   2.35342   5.73861   
LIG   B8   B8   B     5.93193   2.89214   3.80112   
LIG   B9   B9   B     8.13386   1.09859   4.40797   
LIG   B10   B10   B     6.59304   1.72356   4.93358   
LIG   B11   B11   B     7.04066   1.73008   3.16719   
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   C4   SINGLE      
LIG   C2   B5   SINGLE      
LIG   C2   B8   SINGLE      
LIG   C3   B6   SINGLE      
LIG   C3   B7   SINGLE      
LIG   C3   B9   SINGLE      
LIG   C4   B7   SINGLE      
LIG   C4   B8   SINGLE      
LIG   C4   B10   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B8   SINGLE      
LIG   B5   B11   SINGLE      
LIG   B6   B9   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   B9   SINGLE      
LIG   B7   B10   SINGLE      
LIG   B8   B10   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B11   SINGLE      
LIG   B10   B11   SINGLE      
