data_comp_carborone_7037278_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   C1   C1   C     -4.19465   6.81466   11.9089   
LIG   C2   C2   C     -2.47694   6.6971   11.4843   
LIG   B3   B3   B     -3.72299   5.99196   10.4397   
LIG   B5   B5   B     -4.68603   5.70587   13.1742   
LIG   B6   B6   B     -3.08655   6.4661   13.154   
LIG   B7   B7   B     -2.25188   5.0671   10.8483   
LIG   B8   B8   B     -3.85247   4.24443   10.7986   
LIG   B9   B9   B     -4.45053   4.0621   12.4971   
LIG   B10   B10   B     -3.19308   4.78206   13.5874   
LIG   B11   B11   B     -1.84352   5.39827   12.5566   
LIG   B12   B12   B     -2.68444   3.85923   12.1244   
LIG   C1'   C1'   C     -4.738   8.25224   11.8662   
LIG   C2'   C2'   C     -4.93428   8.9754   10.3395   
LIG   B3'   B3'   B     -3.5251   9.4835   11.3487   
LIG   B4'   B4'   B     -4.1878   9.44483   13.0034   
LIG   B5'   B5'   B     -5.89799   8.88348   13.0149   
LIG   B6'   B6'   B     -6.37141   8.56443   11.3015   
LIG   B7'   B7'   B     -4.53223   10.6735   10.4255   
LIG   B8'   B8'   B     -4.08464   10.9878   12.122   
LIG   B9'   B9'   B     -5.52664   10.626   13.1651   
LIG   B10'   B10'   B     -6.87588   10.0845   12.1037   
LIG   B11'   B11'   B     -6.26831   10.1217   10.3998   
LIG   B12'   B12'   B     -5.75952   11.4031   11.5506   
LIG   B4   B4   B     -5.0932   5.38634   11.4511   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C1   C2   SINGLE      
LIG   C1   B3   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   B6   SINGLE      
LIG   C1   C1'   SINGLE      
LIG   C1   B4   SINGLE      
LIG   C2   B3   SINGLE      
LIG   C2   B6   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C2   B11   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B5   B4   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   B12   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B12   SINGLE      
LIG   B8   B4   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B9   B4   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B11   B12   SINGLE      
LIG   C1'   C2'   SINGLE      
LIG   C1'   B3'   SINGLE      
LIG   C1'   B4'   SINGLE      
LIG   C1'   B5'   SINGLE      
LIG   C1'   B6'   SINGLE      
LIG   C2'   B3'   SINGLE      
LIG   C2'   B6'   SINGLE      
LIG   C2'   B7'   SINGLE      
LIG   C2'   B11'   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   B5'   B6'   SINGLE      
LIG   B5'   B9'   SINGLE      
LIG   B5'   B10'   SINGLE      
LIG   B6'   B10'   SINGLE      
LIG   B6'   B11'   SINGLE      
LIG   B7'   B8'   SINGLE      
LIG   B7'   B11'   SINGLE      
LIG   B7'   B12'   SINGLE      
LIG   B8'   B9'   SINGLE      
LIG   B8'   B12'   SINGLE      
LIG   B9'   B10'   SINGLE      
LIG   B9'   B12'   SINGLE      
LIG   B10'   B11'   SINGLE      
LIG   B10'   B12'   SINGLE      
LIG   B11'   B12'   SINGLE      
