data_comp_carborone_7114356_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     6.47493   2.99688   8.75085   
LIG   B8B   B8B   B     4.73367   3.49803   8.60046   
LIG   B11B   B11B   B     3.76338   2.14492   9.11742   
LIG   B13B   B13B   B     5.25453   1.80414   8.14928   
LIG   C1B   C1B   C     5.56043   3.88892   11.2417   
LIG   B2B   B2B   B     5.31558   2.43559   11.8057   
LIG   B3B   B3B   B     5.83079   4.19964   9.70959   
LIG   B5B   B5B   B     4.07652   3.46796   10.3581   
LIG   C6B   C6B   C     5.65481   1.16267   10.9475   
LIG   B9B   B9B   B     4.01081   1.59366   10.7811   
LIG   B10B   B10B   B     6.40837   1.35311   9.39941   
LIG   B12B   B12B   B     4.78888   0.721656   9.4652   
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   B8B   SINGLE      
LIG   B7B   B13B   SINGLE      
LIG   B7B   B3B   SINGLE      
LIG   B7B   B10B   SINGLE      
LIG   B8B   B11B   SINGLE      
LIG   B8B   B13B   SINGLE      
LIG   B8B   B3B   SINGLE      
LIG   B8B   B5B   SINGLE      
LIG   B11B   B13B   SINGLE      
LIG   B11B   B5B   SINGLE      
LIG   B11B   B9B   SINGLE      
LIG   B11B   B12B   SINGLE      
LIG   B13B   B10B   SINGLE      
LIG   B13B   B12B   SINGLE      
LIG   C1B   B2B   SINGLE      
LIG   C1B   B3B   SINGLE      
LIG   C1B   B5B   SINGLE      
LIG   B2B   C6B   SINGLE      
LIG   B2B   B9B   SINGLE      
LIG   B5B   B9B   SINGLE      
LIG   C6B   B9B   SINGLE      
LIG   C6B   B10B   SINGLE      
LIG   C6B   B12B   SINGLE      
LIG   B9B   B12B   SINGLE      
LIG   B10B   B12B   SINGLE      
