data_comp_carborone_7029303_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   C2   C2   C     1.94444   -2.69706   9.47438   
LIG   B3   B3   B     2.6563   -3.62567   10.6562   
LIG   B4   B4   B     4.18792   -4.49757   10.3092   
LIG   B5   B5   B     4.83007   -4.42691   8.69125   
LIG   B6   B6   B     3.95616   -3.49865   7.44078   
LIG   B7   B7   B     2.44427   -2.63583   7.86766   
LIG   B8   B8   B     2.92718   -1.86198   10.5885   
LIG   C9   C9   C     4.17054   -2.90092   10.9134   
LIG   B10   B10   B     5.44235   -3.32097   9.9255   
LIG   B11   B11   B     5.33361   -2.77489   8.29252   
LIG   B12   B12   B     4.01027   -1.76939   7.76168   
LIG   B14   B14   B     4.59272   -1.63201   9.55753   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C2   B3   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C2   B8   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3   C9   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   C9   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   B6   B12   SINGLE      
LIG   B7   B12   SINGLE      
LIG   B8   C9   SINGLE      
LIG   B8   B14   SINGLE      
LIG   C9   B10   SINGLE      
LIG   C9   B14   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B14   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B11   B14   SINGLE      
LIG   B12   B14   SINGLE      
