data_comp_carborone_4125194_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     -5.07715   3.69532   6.91509   
LIG   C2   C2   C     -4.74651   2.28699   9.08453   
LIG   B1   B1   B     -4.63003   3.87206   8.52923   
LIG   B2   B2   B     -4.0048   2.49945   7.54094   
LIG   B3   B3   B     -6.05974   3.34436   9.45212   
LIG   B4   B4   B     -6.28349   4.28967   7.99166   
LIG   B5   B5   B     -5.06517   1.1153   7.87367   
LIG   B6   B6   B     -6.31619   1.62107   9.05441   
LIG   B7   B7   B     -7.32201   2.88556   8.29262   
LIG   B8   B8   B     -6.67836   3.17015   6.6525   
LIG   B9   B9   B     -5.28719   2.07242   6.39548   
LIG   B10   B10   B     -6.70533   1.51435   7.31527   
LIG   B11   B11   B     -2.3422   2.62206   7.33673   
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   B1   SINGLE      
LIG   C1   B2   SINGLE      
LIG   C1   B4   SINGLE      
LIG   C1   B8   SINGLE      
LIG   C1   B9   SINGLE      
LIG   C2   B1   SINGLE      
LIG   C2   B2   SINGLE      
LIG   C2   B3   SINGLE      
LIG   C2   B5   SINGLE      
LIG   C2   B6   SINGLE      
LIG   B1   B2   SINGLE      
LIG   B1   B3   SINGLE      
LIG   B1   B4   SINGLE      
LIG   B2   B5   SINGLE      
LIG   B2   B9   SINGLE      
LIG   B2   B11   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B6   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B4   B7   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B10   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B10   SINGLE      
LIG   B9   B10   SINGLE      
