data_comp_carborone_4075405_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   C32   C1   C     11.376   10.8733   0.0739063   
LIG   Gd2   Gd   Gd    8.96812   9.83749   0.866776   
LIG   B8   B3   B     6.63396   11.2166   1.14876   
LIG   B7   B6   B     5.02448   10.5575   0.700503   
LIG   Gd1   Gd   Gd    6.97788   13.0465   -0.866776   
LIG   C21   C2   C     10.5481   10.7086   -1.16804   
LIG   B6   B3   B     9.31204   11.6674   -1.14876   
LIG   B5   B4   B     9.41272   12.5301   0.260279   
LIG   B4   B5   B     10.7502   11.9203   1.02665   
LIG   B3   B6   B     10.9215   12.3265   -0.700503   
LIG   C8   C1   C     4.57002   12.0107   -0.0739063   
LIG   C7   C2   C     5.3979   12.1754   1.16804   
LIG   B2   B4   B     6.53328   10.3539   -0.260279   
LIG   B1   B5   B     5.19584   10.9637   -1.02665   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C32   Gd2   SINGLE      
LIG   C32   C21   SINGLE      
LIG   C32   B4   SINGLE      
LIG   C32   B3   SINGLE      
LIG   Gd2   B8   SINGLE      
LIG   Gd2   C21   SINGLE      
LIG   Gd2   B6   SINGLE      
LIG   Gd2   B5   SINGLE      
LIG   Gd2   B4   SINGLE      
LIG   Gd2   B2   SINGLE      
LIG   B8   B7   SINGLE      
LIG   B8   Gd1   SINGLE      
LIG   B8   C7   SINGLE      
LIG   B8   B2   SINGLE      
LIG   B7   C8   SINGLE      
LIG   B7   C7   SINGLE      
LIG   B7   B2   SINGLE      
LIG   B7   B1   SINGLE      
LIG   Gd1   B6   SINGLE      
LIG   Gd1   B5   SINGLE      
LIG   Gd1   C8   SINGLE      
LIG   Gd1   C7   SINGLE      
LIG   Gd1   B2   SINGLE      
LIG   Gd1   B1   SINGLE      
LIG   C21   B6   SINGLE      
LIG   C21   B3   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   B3   SINGLE      
LIG   B5   B4   SINGLE      
LIG   B5   B3   SINGLE      
LIG   B4   B3   SINGLE      
LIG   C8   C7   SINGLE      
LIG   C8   B1   SINGLE      
LIG   B2   B1   SINGLE      
