data_comp_carborone_7008217_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   B2'   B2'   B     7.4414   9.77212   0.135321   
LIG   B6'   B6'   B     9.05101   10.3572   0.321388   
LIG   B1   B1   B     9.61766   9.23072   -4.77176   
LIG   B2   B2   B     9.23643   9.88309   -3.19527   
LIG   B3   B3   B     8.00833   9.9453   -4.48928   
LIG   B4   B4   B     8.21711   8.37659   -5.44836   
LIG   B5   B5   B     9.55678   7.44342   -4.74639   
LIG   B6   B6   B     10.0895   8.3211   -3.29168   
LIG   B7   B7   B     8.79023   8.50773   -2.14822   
LIG   B8   B8   B     7.53254   9.51487   -2.83498   
LIG   B10   B10   B     7.9021   6.8768   -4.55017   
LIG   B11   B11   B     9.04172   6.92052   -3.12253   
LIG   B1'   B1'   B     7.30477   8.70109   -1.32276   
LIG   B4'   B4'   B     6.75606   10.4026   -1.41241   
LIG   B5'   B5'   B     7.80808   11.4081   -0.33492   
LIG   B7'   B7'   B     8.82128   8.70613   -0.348452   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   B2'   B6'   SINGLE      
LIG   B2'   B1'   SINGLE      
LIG   B2'   B4'   SINGLE      
LIG   B2'   B5'   SINGLE      
LIG   B2'   B7'   SINGLE      
LIG   B6'   B5'   SINGLE      
LIG   B6'   B7'   SINGLE      
LIG   B1   B2   SINGLE      
LIG   B1   B3   SINGLE      
LIG   B1   B4   SINGLE      
LIG   B1   B5   SINGLE      
LIG   B1   B6   SINGLE      
LIG   B2   B3   SINGLE      
LIG   B2   B6   SINGLE      
LIG   B2   B7   SINGLE      
LIG   B2   B8   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B10   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B5   B11   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   B1'   SINGLE      
LIG   B7   B7'   SINGLE      
LIG   B8   B1'   SINGLE      
LIG   B8   B4'   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B1'   B4'   SINGLE      
LIG   B1'   B7'   SINGLE      
LIG   B4'   B5'   SINGLE      
