data_comp_carborone_4075417_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   Nd2   Nd   Nd    21.2867   8.90267   12.968   
LIG   B15   B24   B     19.4463   7.65112   11.1243   
LIG   B14   B25   B     20.9843   7.21785   10.7421   
LIG   B13   B26   B     19.6466   6.06772   10.3599   
LIG   Nd1   Nd   Nd    24.9548   10.7913   14.1379   
LIG   C28   C11   C     22.0216   10.6032   10.94   
LIG   C27   C12   C     20.7224   11.1133   11.4116   
LIG   B12   B13   B     20.794   11.6431   12.8699   
LIG   B11   B14   B     22.3497   11.4767   13.3361   
LIG   B10   B15   B     23.1037   10.814   12.0378   
LIG   B9   B16   B     22.0101   12.1542   11.7071   
LIG   B7   B24   B     26.7952   12.0429   15.9817   
LIG   B6   B25   B     25.2572   12.4761   16.3639   
LIG   B5   B26   B     26.5949   13.6263   16.7461   
LIG   C8   C11   C     24.2199   9.09075   16.166   
LIG   C7   C12   C     25.519   8.58068   15.6944   
LIG   B4   B13   B     25.4475   8.05091   14.2361   
LIG   B3   B14   B     23.8918   8.21732   13.7698   
LIG   B2   B15   B     23.1378   8.88002   15.0682   
LIG   B1   B16   B     24.2314   7.53985   15.3989   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Nd2   B15   SINGLE      
LIG   Nd2   B14   SINGLE      
LIG   Nd2   C28   SINGLE      
LIG   Nd2   C27   SINGLE      
LIG   Nd2   B12   SINGLE      
LIG   Nd2   B11   SINGLE      
LIG   Nd2   B10   SINGLE      
LIG   Nd2   B3   SINGLE      
LIG   Nd2   B2   SINGLE      
LIG   B15   B14   SINGLE      
LIG   B15   B13   SINGLE      
LIG   B14   B13   SINGLE      
LIG   Nd1   B11   SINGLE      
LIG   Nd1   B10   SINGLE      
LIG   Nd1   B7   SINGLE      
LIG   Nd1   B6   SINGLE      
LIG   Nd1   C8   SINGLE      
LIG   Nd1   C7   SINGLE      
LIG   Nd1   B4   SINGLE      
LIG   Nd1   B3   SINGLE      
LIG   Nd1   B2   SINGLE      
LIG   C28   C27   SINGLE      
LIG   C28   B10   SINGLE      
LIG   C28   B9   SINGLE      
LIG   C27   B12   SINGLE      
LIG   C27   B9   SINGLE      
LIG   B12   B11   SINGLE      
LIG   B12   B9   SINGLE      
LIG   B11   B10   SINGLE      
LIG   B11   B9   SINGLE      
LIG   B10   B9   SINGLE      
LIG   B7   B6   SINGLE      
LIG   B7   B5   SINGLE      
LIG   B6   B5   SINGLE      
LIG   C8   C7   SINGLE      
LIG   C8   B2   SINGLE      
LIG   C8   B1   SINGLE      
LIG   C7   B4   SINGLE      
LIG   C7   B1   SINGLE      
LIG   B4   B3   SINGLE      
LIG   B4   B1   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B3   B1   SINGLE      
LIG   B2   B1   SINGLE      
