data_comp_carborone_4072508_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   C30   C1   C     4.51677   0.701802   0.307627   
LIG   B8   B5   B     5.57166   1.85771   0.503238   
LIG   C28   C2   C     10.6659   0.359747   0.640332   
LIG   Tb2   Tb   Tb    9.05533   0.402125   -1.48564   
LIG   C22   C2   C     5.02009   -0.359747   -0.640332   
LIG   B7   B3   B     6.45606   0.042125   -1.17032   
LIG   B6   B4   B     6.83285   1.50218   -0.484847   
LIG   B5   B6   B     5.17753   1.28313   -1.15026   
LIG   Tb1   Tb   Tb    6.63067   -0.402125   1.48564   
LIG   C9   C1   C     11.1692   -0.701803   -0.307627   
LIG   B4   B3   B     9.22994   -0.042125   1.17032   
LIG   B3   B4   B     8.85315   -1.50218   0.484847   
LIG   B2   B5   B     10.1143   -1.85771   -0.503238   
LIG   B1   B6   B     10.5085   -1.28313   1.15026   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C30   B8   SINGLE      
LIG   C30   C22   SINGLE      
LIG   C30   B5   SINGLE      
LIG   C30   Tb1   SINGLE      
LIG   B8   B6   SINGLE      
LIG   B8   B5   SINGLE      
LIG   B8   Tb1   SINGLE      
LIG   C28   Tb2   SINGLE      
LIG   C28   C9   SINGLE      
LIG   C28   B4   SINGLE      
LIG   C28   B1   SINGLE      
LIG   Tb2   B7   SINGLE      
LIG   Tb2   B6   SINGLE      
LIG   Tb2   C9   SINGLE      
LIG   Tb2   B4   SINGLE      
LIG   Tb2   B3   SINGLE      
LIG   Tb2   B2   SINGLE      
LIG   Tb2   B1   SINGLE      
LIG   C22   B7   SINGLE      
LIG   C22   B5   SINGLE      
LIG   C22   Tb1   SINGLE      
LIG   B7   B6   SINGLE      
LIG   B7   B5   SINGLE      
LIG   B7   Tb1   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   Tb1   SINGLE      
LIG   B5   Tb1   SINGLE      
LIG   Tb1   B4   SINGLE      
LIG   Tb1   B3   SINGLE      
LIG   C9   B2   SINGLE      
LIG   C9   B1   SINGLE      
LIG   B4   B3   SINGLE      
LIG   B4   B1   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B3   B1   SINGLE      
LIG   B2   B1   SINGLE      
