data_comp_carborone_4075403_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     11.3956   10.9607   0.062652   
LIG   Nd2   Nd   Nd    8.9689   9.88274   0.876807   
LIG   B8   B3   B     6.58887   11.3104   1.15505   
LIG   B7   B6   B     4.97895   10.6595   0.70363   
LIG   Nd1   Nd   Nd    6.9551   13.1973   -0.876807   
LIG   C21   C2   C     10.5676   10.8291   -1.18236   
LIG   B6   B3   B     9.33513   11.7696   -1.15505   
LIG   B5   B4   B     9.43589   12.6236   0.261853   
LIG   B4   B5   B     10.7777   12.0166   1.02492   
LIG   B3   B6   B     10.9451   12.4205   -0.70363   
LIG   C8   C1   C     4.52837   12.1193   -0.062652   
LIG   C7   C2   C     5.35637   12.2509   1.18236   
LIG   B2   B4   B     6.48811   10.4564   -0.261853   
LIG   B1   B5   B     5.14627   11.0634   -1.02492   
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   Nd2   SINGLE      
LIG   C32   C21   SINGLE      
LIG   C32   B4   SINGLE      
LIG   C32   B3   SINGLE      
LIG   Nd2   B8   SINGLE      
LIG   Nd2   C21   SINGLE      
LIG   Nd2   B6   SINGLE      
LIG   Nd2   B5   SINGLE      
LIG   Nd2   B4   SINGLE      
LIG   Nd2   B2   SINGLE      
LIG   B8   B7   SINGLE      
LIG   B8   Nd1   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   Nd1   B6   SINGLE      
LIG   Nd1   B5   SINGLE      
LIG   Nd1   C8   SINGLE      
LIG   Nd1   C7   SINGLE      
LIG   Nd1   B2   SINGLE      
LIG   Nd1   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      
