data_comp_carborone_7114356_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   C1A   C1A   C     10.3613   5.99375   12.5858   
LIG   B2A   B2A   B     10.172   7.23661   13.2532   
LIG   B3A   B3A   B     10.3248   5.7532   11.1101   
LIG   B5A   B5A   B     8.82973   6.42474   12.0124   
LIG   C6A   C6A   C     10.3336   8.73304   12.5726   
LIG   B7A   B7A   B     10.837   7.17647   10.0292   
LIG   B8A   B8A   B     9.14001   6.67532   10.1796   
LIG   B9A   B9A   B     8.72725   8.25895   12.7268   
LIG   B10A   B10A   B     10.8164   8.82024   10.9597   
LIG   B11A   B11A   B     8.13667   7.83799   11.0725   
LIG   B12A   B12A   B     9.2372   9.27128   11.393   
LIG   B13A   B13A   B     9.42295   8.35918   9.92577   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C1A   B2A   SINGLE      
LIG   C1A   B3A   SINGLE      
LIG   C1A   B5A   SINGLE      
LIG   B2A   C6A   SINGLE      
LIG   B2A   B9A   SINGLE      
LIG   B3A   B5A   SINGLE      
LIG   B3A   B7A   SINGLE      
LIG   B3A   B8A   SINGLE      
LIG   B5A   B8A   SINGLE      
LIG   B5A   B9A   SINGLE      
LIG   B5A   B11A   SINGLE      
LIG   C6A   B9A   SINGLE      
LIG   C6A   B10A   SINGLE      
LIG   C6A   B12A   SINGLE      
LIG   B7A   B8A   SINGLE      
LIG   B7A   B10A   SINGLE      
LIG   B7A   B13A   SINGLE      
LIG   B8A   B11A   SINGLE      
LIG   B8A   B13A   SINGLE      
LIG   B9A   B11A   SINGLE      
LIG   B9A   B12A   SINGLE      
LIG   B10A   B12A   SINGLE      
LIG   B10A   B13A   SINGLE      
LIG   B11A   B12A   SINGLE      
LIG   B11A   B13A   SINGLE      
LIG   B12A   B13A   SINGLE      
