data_comp_carborone_1567738_2
_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   C1B   C1B   C     -0.117231   19.8856   3.32198   
LIG   B3B   B3B   B     0.0779105   18.6397   4.38044   
LIG   B4B   B4B   B     1.34616   19.1885   3.18111   
LIG   B5B   B5B   B     1.02375   20.9334   3.73632   
LIG   B6B   B6B   B     0.839161   19.1444   6.05991   
LIG   B7B   B7B   B     1.87251   18.4102   4.70843   
LIG   B8B   B8B   B     2.536   20.0127   4.20459   
LIG   B9B   B9B   B     1.51815   20.8441   5.47506   
LIG   B10B   B10B   B     2.50571   19.5459   5.83269   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C1B   B3B   SINGLE      
LIG   C1B   B4B   SINGLE      
LIG   C1B   B5B   SINGLE      
LIG   B3B   B4B   SINGLE      
LIG   B3B   B6B   SINGLE      
LIG   B3B   B7B   SINGLE      
LIG   B4B   B5B   SINGLE      
LIG   B4B   B7B   SINGLE      
LIG   B4B   B8B   SINGLE      
LIG   B5B   B8B   SINGLE      
LIG   B5B   B9B   SINGLE      
LIG   B6B   B7B   SINGLE      
LIG   B6B   B9B   SINGLE      
LIG   B6B   B10B   SINGLE      
LIG   B7B   B8B   SINGLE      
LIG   B7B   B10B   SINGLE      
LIG   B8B   B9B   SINGLE      
LIG   B8B   B10B   SINGLE      
LIG   B9B   B10B   SINGLE      
