data_comp_carborone_4075867_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     6.44929   10.1981   17.3255   
LIG   B2   B2   B     6.82991   8.96989   16.6592   
LIG   B3   B3   B     5.72734   11.256   16.6332   
LIG   B5   B5   B     4.9391   9.46232   16.7721   
LIG   C6   C6   C     6.98089   8.83944   14.9571   
LIG   B7   B7   B     5.86533   11.4085   14.8057   
LIG   B8   B8   B     4.41992   10.7454   15.5427   
LIG   B9   B9   B     5.6116   8.14901   15.6456   
LIG   B10   B10   B     6.6882   10.1084   13.9187   
LIG   B11   B11   B     4.30112   9.09436   15.1246   
LIG   B12   B12   B     5.63321   8.6978   14.0006   
LIG   B13   B13   B     4.91412   10.2472   13.8964   
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   B2   SINGLE      
LIG   C1   B3   SINGLE      
LIG   C1   B5   SINGLE      
LIG   B2   B5   SINGLE      
LIG   B2   C6   SINGLE      
LIG   B2   B9   SINGLE      
LIG   B3   B5   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B5   B8   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B11   SINGLE      
LIG   C6   B9   SINGLE      
LIG   C6   B10   SINGLE      
LIG   C6   B12   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B10   SINGLE      
LIG   B7   B13   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B8   B13   SINGLE      
LIG   B9   B11   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B10   B13   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B11   B13   SINGLE      
LIG   B12   B13   SINGLE      
