data_comp_carborone_7007858_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   B1   B1   B     -2.6189   17.3956   -2.0343   
LIG   B1'   B1'   B     -4.34229   20.6674   0.115665   
LIG   B2   B2   B     -3.19837   19.0877   -2.08462   
LIG   B3   B3   B     -4.32601   17.6953   -1.78001   
LIG   B3'   B3'   B     -5.50236   20.8672   -1.2317   
LIG   B4   B4   B     -3.54317   16.5215   -0.732841   
LIG   B4'   B4'   B     -4.57834   22.2877   -0.554487   
LIG   B5   B5   B     -1.90312   17.149   -0.380548   
LIG   B7   B7   B     -4.52549   19.3625   -1.0507   
LIG   B8   B8   B     -4.77927   17.6423   -0.142154   
LIG   B8'   B8'   B     -4.75243   22.1566   -2.32125   
LIG   B9   B9   B     -3.22472   17.2551   0.811423   
LIG   B9'   B9'   B     -3.30394   22.8497   -1.51424   
LIG   B10   B10   B     -1.91453   18.635   0.5642   
LIG   B10'   B10'   B     -2.91516   21.7258   -0.175705   
LIG   B11   B11   B     -2.84905   19.915   -0.494447   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   B1   B2   SINGLE      
LIG   B1   B3   SINGLE      
LIG   B1   B4   SINGLE      
LIG   B1   B5   SINGLE      
LIG   B1'   B3'   SINGLE      
LIG   B1'   B4'   SINGLE      
LIG   B1'   B7   SINGLE      
LIG   B1'   B10'   SINGLE      
LIG   B1'   B11   SINGLE      
LIG   B2   B3   SINGLE      
LIG   B2   B7   SINGLE      
LIG   B2   B11   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3'   B4'   SINGLE      
LIG   B3'   B7   SINGLE      
LIG   B3'   B8'   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B4'   B8'   SINGLE      
LIG   B4'   B9'   SINGLE      
LIG   B4'   B10'   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8'   B9'   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9'   B10'   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10'   B11   SINGLE      
