data_comp_carborone_7020078_2
_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   B7B   B7B   B     4.47358   13.6542   6.53537   
LIG   C8B   C8B   C     4.88878   14.8616   7.68745   
LIG   B10B   B10B   B     5.7208   13.7498   5.28743   
LIG   B12B   B12B   B     6.95982   14.9274   5.82407   
LIG   B13B   B13B   B     6.11138   13.9321   7.01713   
LIG   C1B   C1B   C     3.48073   16.3097   5.80041   
LIG   B2B   B2B   B     4.70334   16.6369   4.91251   
LIG   B3B   B3B   B     3.43806   15.1485   6.80492   
LIG   B5B   B5B   B     4.78211   16.5607   6.92395   
LIG   B6B   B6B   B     5.90132   15.3443   4.51149   
LIG   B9B   B9B   B     6.25744   16.5249   5.78407   
LIG   B11B   B11B   B     6.30339   15.679   7.29204   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   B7B   C8B   SINGLE      
LIG   B7B   B10B   SINGLE      
LIG   B7B   B13B   SINGLE      
LIG   B7B   B3B   SINGLE      
LIG   C8B   B13B   SINGLE      
LIG   C8B   B3B   SINGLE      
LIG   C8B   B5B   SINGLE      
LIG   C8B   B11B   SINGLE      
LIG   B10B   B12B   SINGLE      
LIG   B10B   B13B   SINGLE      
LIG   B10B   B6B   SINGLE      
LIG   B12B   B13B   SINGLE      
LIG   B12B   B6B   SINGLE      
LIG   B12B   B9B   SINGLE      
LIG   B12B   B11B   SINGLE      
LIG   B13B   B11B   SINGLE      
LIG   C1B   B2B   SINGLE      
LIG   C1B   B3B   SINGLE      
LIG   C1B   B5B   SINGLE      
LIG   B2B   B6B   SINGLE      
LIG   B2B   B9B   SINGLE      
LIG   B3B   B5B   SINGLE      
LIG   B5B   B9B   SINGLE      
LIG   B5B   B11B   SINGLE      
LIG   B6B   B9B   SINGLE      
LIG   B9B   B11B   SINGLE      
