data_comp_carborone_4072509_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   Gd2   Gd   Gd    9.2165   7.15462   13.0246   
LIG   C24   C1   C     9.23892   8.07894   10.5179   
LIG   C23   C2   C     10.2704   6.97926   10.5695   
LIG   B8   B3   B     11.4838   7.37946   11.5294   
LIG   B7   B4   B     11.1472   8.92921   12.0781   
LIG   B6   B5   B     9.68028   9.2961   11.3998   
LIG   B5   B6   B     10.8844   8.5544   10.3169   
LIG   Gd1   Gd   Gd    10.0823   10.9715   13.4189   
LIG   C16   C1   C     10.0598   10.0471   15.9256   
LIG   C15   C2   C     9.02833   11.1468   15.8741   
LIG   B4   B3   B     7.81497   10.7466   14.9142   
LIG   B3   B4   B     8.15158   9.19686   14.3654   
LIG   B2   B5   B     9.61849   8.82997   15.0437   
LIG   B1   B6   B     8.41439   9.57167   16.1266   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Gd2   C24   SINGLE      
LIG   Gd2   C23   SINGLE      
LIG   Gd2   B8   SINGLE      
LIG   Gd2   B7   SINGLE      
LIG   Gd2   B6   SINGLE      
LIG   Gd2   B5   SINGLE      
LIG   Gd2   B3   SINGLE      
LIG   Gd2   B2   SINGLE      
LIG   C24   C23   SINGLE      
LIG   C24   B6   SINGLE      
LIG   C24   B5   SINGLE      
LIG   C23   B8   SINGLE      
LIG   C23   B5   SINGLE      
LIG   B8   B7   SINGLE      
LIG   B8   B5   SINGLE      
LIG   B7   B6   SINGLE      
LIG   B7   B5   SINGLE      
LIG   B7   Gd1   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   Gd1   SINGLE      
LIG   Gd1   C16   SINGLE      
LIG   Gd1   C15   SINGLE      
LIG   Gd1   B4   SINGLE      
LIG   Gd1   B3   SINGLE      
LIG   Gd1   B2   SINGLE      
LIG   Gd1   B1   SINGLE      
LIG   C16   C15   SINGLE      
LIG   C16   B2   SINGLE      
LIG   C16   B1   SINGLE      
LIG   C15   B4   SINGLE      
LIG   C15   B1   SINGLE      
LIG   B4   B3   SINGLE      
LIG   B4   B1   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B3   B1   SINGLE      
LIG   B2   B1   SINGLE      
