data_comp_carborone_4074115_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     0.0332122   9.27221   -6.66294   
LIG   B3   B3   B     2.91667   8.41657   -4.6559   
LIG   B4   B4   B     -0.0383477   9.60117   -5.11334   
LIG   B5   B5   B     1.45492   9.60458   -7.23917   
LIG   B6   B6   B     2.95389   9.14097   -6.16118   
LIG   B7   B7   B     1.56516   9.14097   -3.98571   
LIG   B8   B8   B     0.557167   10.8471   -6.30125   
LIG   B9   B9   B     2.87301   10.1347   -4.65413   
LIG   B10   B10   B     2.30009   10.796   -6.19487   
LIG   B11   B11   B     1.28123   10.8079   -4.68782   
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   B4   SINGLE      
LIG   C2   B5   SINGLE      
LIG   C2   B8   SINGLE      
LIG   B3   B6   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B9   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B11   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B8   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B9   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B7   B9   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B8   B10   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B11   SINGLE      
LIG   B10   B11   SINGLE      
