data_comp_carborone_4113369_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   C3   C3   C     1.59688   11.5455   0.814621   
LIG   B4   B4   B     4.30035   10.593   1.33954   
LIG   B5   B5   B     2.9228   9.4683   -0.888902   
LIG   B6   B6   B     1.6575   10.7881   -0.545969   
LIG   B7   B7   B     3.01019   11.8892   1.45839   
LIG   B8   B8   B     4.57776   10.2647   -0.497686   
LIG   B9   B9   B     2.56429   12.3435   -0.241415   
LIG   B10   B10   B     4.20444   11.8526   0.103994   
LIG   B11   B11   B     3.28199   11.1302   -1.28878   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C3   B6   SINGLE      
LIG   C3   B7   SINGLE      
LIG   C3   B9   SINGLE      
LIG   B4   B7   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   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      
