data_comp_carborone_4077586_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   C7   C7   C     -3.58189   1.88688   29.2922   
LIG   B8   B8   B     -4.22129   2.22955   30.7311   
LIG   B11   B11   B     -1.04943   1.25217   30.6431   
LIG   B12   B12   B     -1.94893   1.66274   29.2228   
LIG   B3   B3   B     -4.39741   0.608844   29.9761   
LIG   B4   B4   B     -3.69503   0.59268   31.7143   
LIG   B5   B5   B     -1.86393   -0.0625008   31.402   
LIG   B6   B6   B     -1.63322   -0.0721992   29.6618   
LIG   B2   B2   B     -3.12544   0.334056   28.853   
LIG   B1   B1   B     -3.22868   -0.59699   30.3895   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C7   B8   SINGLE      
LIG   C7   B12   SINGLE      
LIG   C7   B3   SINGLE      
LIG   C7   B2   SINGLE      
LIG   B8   B3   SINGLE      
LIG   B8   B4   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B11   B5   SINGLE      
LIG   B11   B6   SINGLE      
LIG   B12   B6   SINGLE      
LIG   B12   B2   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B3   B1   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B1   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B1   SINGLE      
LIG   B6   B2   SINGLE      
LIG   B6   B1   SINGLE      
LIG   B2   B1   SINGLE      
