data_comp_carborone_7702120_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     8.22792   3.03783   2.13087   
LIG   C2   C2   C     9.1339   1.65438   1.91028   
LIG   B4   B4   B     9.01542   3.9595   3.36599   
LIG   B5   B5   B     7.55531   2.9699   3.71875   
LIG   B6   B6   B     7.631   1.5018   2.77299   
LIG   B9   B9   B     8.91892   2.97691   4.85474   
LIG   B10   B10   B     8.07167   1.45974   4.46983   
LIG   B11   B11   B     9.04217   0.589019   3.26061   
LIG   B12   B12   B     9.84486   1.46379   4.57967   
LIG   C1'   C1'   C     7.33841   3.5918   0.971663   
LIG   C2'   C2'   C     5.68981   3.36213   0.980593   
LIG   B4'   B4'   B     7.65262   5.01192   0.0348298   
LIG   B7'   B7'   B     4.80995   4.53693   0.0651943   
LIG   B7   B7   B     10.5114   1.53684   2.94267   
LIG   B8   B8   B     10.4531   3.02192   3.97149   
LIG   B5'   B5'   B     7.88963   3.34946   -0.640333   
LIG   B6'   B6'   B     6.6339   2.30567   -0.0151822   
LIG   B8'   B8'   B     6.07368   5.61927   -0.619792   
LIG   B9'   B9'   B     7.12669   4.60352   -1.63254   
LIG   B10'   B10'   B     6.49158   2.95103   -1.64504   
LIG   B11'   B11'   B     5.08076   2.89954   -0.562635   
LIG   B12'   B12'   B     5.35757   4.30618   -1.61467   
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   C1   B6   SINGLE      
LIG   C1   C1'   SINGLE      
LIG   C2   B6   SINGLE      
LIG   C2   B11   SINGLE      
LIG   C2   B7   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B9   B8   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B11   B7   SINGLE      
LIG   B12   B7   SINGLE      
LIG   B12   B8   SINGLE      
LIG   C1'   C2'   SINGLE      
LIG   C1'   B4'   SINGLE      
LIG   C1'   B5'   SINGLE      
LIG   C1'   B6'   SINGLE      
LIG   C2'   B7'   SINGLE      
LIG   C2'   B6'   SINGLE      
LIG   C2'   B11'   SINGLE      
LIG   B4'   B5'   SINGLE      
LIG   B4'   B8'   SINGLE      
LIG   B4'   B9'   SINGLE      
LIG   B7'   B8'   SINGLE      
LIG   B7'   B11'   SINGLE      
LIG   B7'   B12'   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B5'   B6'   SINGLE      
LIG   B5'   B9'   SINGLE      
LIG   B5'   B10'   SINGLE      
LIG   B6'   B10'   SINGLE      
LIG   B6'   B11'   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      
