data_comp_carborone_4079785_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     12.431   1.53151   -2.67098   
LIG   C4   C4   C     9.75373   1.61045   -2.59638   
LIG   B6   B6   B     12.0175   2.9793   -3.43934   
LIG   C10   C10   C     11.056   2.36759   -4.78548   
LIG   B5   B5   B     10.2192   3.03159   -3.38453   
LIG   B3   B3   B     11.077   0.730194   -1.98433   
LIG   B9   B9   B     9.63353   1.58235   -4.28788   
LIG   B12   B12   B     11.0029   0.636475   -4.85844   
LIG   B11   B11   B     12.4567   1.49559   -4.37022   
LIG   B7   B7   B     11.9081   0.0986435   -3.44923   
LIG   B8   B8   B     10.1477   0.150355   -3.40203   
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   B6   SINGLE      
LIG   C2   B3   SINGLE      
LIG   C2   B11   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C4   B5   SINGLE      
LIG   C4   B3   SINGLE      
LIG   C4   B9   SINGLE      
LIG   C4   B8   SINGLE      
LIG   B6   C10   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   B11   SINGLE      
LIG   C10   B5   SINGLE      
LIG   C10   B9   SINGLE      
LIG   C10   B12   SINGLE      
LIG   C10   B11   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B9   B8   SINGLE      
LIG   B12   B11   SINGLE      
LIG   B12   B7   SINGLE      
LIG   B12   B8   SINGLE      
LIG   B11   B7   SINGLE      
LIG   B7   B8   SINGLE      
