data_comp_carborone_4067459_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   C1C   C1C   C     2.69707   8.98948   6.63306   
LIG   B3C   B3C   B     2.99905   7.39089   6.63132   
LIG   B4C   B4C   B     4.20141   8.74406   7.07691   
LIG   B5C   B5C   B     2.91625   9.54308   8.15796   
LIG   B6C   B6C   B     2.68925   6.61801   8.22343   
LIG   B7C   B7C   B     4.37345   7.10105   7.78789   
LIG   B8C   B8C   B     4.31482   8.59086   8.85792   
LIG   B9C   B9C   B     2.61186   8.23815   9.39333   
LIG   C10C   C10C   C     3.77651   7.14641   9.26855   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C1C   B3C   SINGLE      
LIG   C1C   B4C   SINGLE      
LIG   C1C   B5C   SINGLE      
LIG   B3C   B4C   SINGLE      
LIG   B3C   B6C   SINGLE      
LIG   B3C   B7C   SINGLE      
LIG   B4C   B5C   SINGLE      
LIG   B4C   B7C   SINGLE      
LIG   B4C   B8C   SINGLE      
LIG   B5C   B8C   SINGLE      
LIG   B5C   B9C   SINGLE      
LIG   B6C   B7C   SINGLE      
LIG   B6C   C10C   SINGLE      
LIG   B7C   B8C   SINGLE      
LIG   B7C   C10C   SINGLE      
LIG   B8C   B9C   SINGLE      
LIG   B8C   C10C   SINGLE      
LIG   B9C   C10C   SINGLE      
