data_comp_carborone_4066462_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     15.0801   8.80295   0.995637   
LIG   B2   B2   B     13.785   7.85864   1.08187   
LIG   B5   B5   B     13.7619   9.63792   1.397   
LIG   B8   B8   B     13.7252   9.73136   3.18687   
LIG   B9   B9   B     12.7098   8.51568   2.28798   
LIG   B10   B10   B     13.2794   8.26917   3.93965   
LIG   B3   B3   B     15.598   7.88846   2.20376   
LIG   B4   B4   B     15.3017   9.66277   2.34945   
LIG   B7   B7   B     15.0026   8.53954   3.70902   
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   B5   SINGLE      
LIG   C1   B3   SINGLE      
LIG   C1   B4   SINGLE      
LIG   B2   B5   SINGLE      
LIG   B2   B9   SINGLE      
LIG   B5   B8   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B4   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B10   SINGLE      
LIG   B8   B4   SINGLE      
LIG   B8   B7   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B10   B7   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B4   B7   SINGLE      
