data_comp_carborone_7101950_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     2.53837   0.745823   4.08294   
LIG   C2   C2   C     1.02019   1.30549   4.12863   
LIG   B7   B7   B     0.0163154   0.510798   2.99076   
LIG   B4   B4   B     2.71612   -0.485209   2.90593   
LIG   B5   B5   B     2.63629   -0.854483   4.66799   
LIG   B8   B8   B     1.07311   -0.727875   2.20894   
LIG   B9   B9   B     1.66517   -1.79968   3.50754   
LIG   B10   B10   B     0.944782   -1.3289   5.06572   
LIG   B11   B11   B     -0.0645799   0.140069   4.75099   
LIG   B12   B12   B     -0.00225906   -1.18277   3.56106   
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   C2   SINGLE      
LIG   C1   B4   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C2   B11   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   B12   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B12   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B11   B12   SINGLE      
