data_comp_carborone_4075402_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   B8   B4   B     9.39521   1.07692   0.264898   
LIG   B7   B5   B     10.7314   0.48319   1.04193   
LIG   C32   C2   C     5.42832   0.733902   1.17037   
LIG   Y2   Y   Y     6.98915   1.57846   -0.863567   
LIG   C27   C1   C     11.3562   -0.5698   0.069034   
LIG   C26   C2   C     10.5277   -0.733902   -1.17037   
LIG   B6   B3   B     9.30679   0.216524   -1.14629   
LIG   B5   B6   B     10.8944   0.880911   -0.708   
LIG   Y1   Y   Y     8.96685   -1.57846   0.863567   
LIG   C11   C1   C     4.5998   0.5698   -0.069034   
LIG   B4   B3   B     6.64921   -0.216524   1.14629   
LIG   B3   B4   B     6.56079   -1.07692   -0.264898   
LIG   B2   B5   B     5.22464   -0.48319   -1.04193   
LIG   B1   B6   B     5.06155   -0.880911   0.708   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   B8   B7   SINGLE      
LIG   B8   Y2   SINGLE      
LIG   B8   B6   SINGLE      
LIG   B8   B5   SINGLE      
LIG   B8   Y1   SINGLE      
LIG   B7   C27   SINGLE      
LIG   B7   B5   SINGLE      
LIG   B7   Y1   SINGLE      
LIG   C32   Y2   SINGLE      
LIG   C32   C11   SINGLE      
LIG   C32   B4   SINGLE      
LIG   C32   B1   SINGLE      
LIG   Y2   B6   SINGLE      
LIG   Y2   C11   SINGLE      
LIG   Y2   B4   SINGLE      
LIG   Y2   B3   SINGLE      
LIG   Y2   B2   SINGLE      
LIG   C27   C26   SINGLE      
LIG   C27   B5   SINGLE      
LIG   C27   Y1   SINGLE      
LIG   C26   B6   SINGLE      
LIG   C26   B5   SINGLE      
LIG   C26   Y1   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   Y1   SINGLE      
LIG   Y1   B4   SINGLE      
LIG   Y1   B3   SINGLE      
LIG   C11   B2   SINGLE      
LIG   C11   B1   SINGLE      
LIG   B4   B3   SINGLE      
LIG   B4   B1   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B3   B1   SINGLE      
LIG   B2   B1   SINGLE      
