data_comp_carborone_7027695_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     2.16308   19.4296   2.30873   
LIG   Ru2   Ru2   Ru    3.02535   17.4561   1.95022   
LIG   B3   B3   B     2.14176   18.9282   0.633182   
LIG   B5   B5   B     0.559131   19.6575   2.9286   
LIG   B6   B6   B     1.47009   18.203   3.28124   
LIG   C7   C7   C     1.25094   17.446   0.6354   
LIG   B8   B8   B     0.418164   18.8688   0.204038   
LIG   B11   B11   B     0.941757   16.8753   2.22889   
LIG   C1'   C1'   C     3.85587   15.611   2.80995   
LIG   B3'   B3'   B     3.98144   15.722   1.07452   
LIG   B4'   B4'   B     5.108   14.7134   2.0437   
LIG   B5'   B5'   B     5.39467   15.5635   3.57288   
LIG   B6'   B6'   B     4.4541   17.0596   3.52741   
LIG   C7'   C7'   C     4.88174   17.1825   0.797299   
LIG   B8'   B8'   B     5.74649   15.7062   0.775121   
LIG   C9'   C9'   C     6.52478   15.6527   2.30429   
LIG   B10'   B10'   B     6.19072   17.1171   3.24464   
LIG   B11'   B11'   B     5.0926   18.096   2.25107   
LIG   B12'   B12'   B     6.43949   17.1765   1.51032   
LIG   B4   B4   B     0.97611   20.1251   1.26636   
LIG   C9   C9   C     -0.478578   19.2631   1.64006   
LIG   B10   B10   B     -0.222705   18.0762   2.88979   
LIG   B12   B12   B     -0.33998   17.5907   1.19318   
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   Ru2   SINGLE      
LIG   C1   B3   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   B6   SINGLE      
LIG   C1   B4   SINGLE      
LIG   Ru2   B3   SINGLE      
LIG   Ru2   B6   SINGLE      
LIG   Ru2   C7   SINGLE      
LIG   Ru2   B11   SINGLE      
LIG   Ru2   C1'   SINGLE      
LIG   Ru2   B3'   SINGLE      
LIG   Ru2   B6'   SINGLE      
LIG   Ru2   C7'   SINGLE      
LIG   Ru2   B11'   SINGLE      
LIG   B3   C7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B4   SINGLE      
LIG   B5   C9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B6   B10   SINGLE      
LIG   C7   B8   SINGLE      
LIG   C7   B11   SINGLE      
LIG   C7   B12   SINGLE      
LIG   B8   B4   SINGLE      
LIG   B8   C9   SINGLE      
LIG   B8   B12   SINGLE      
LIG   B11   B10   SINGLE      
LIG   B11   B12   SINGLE      
LIG   C1'   B3'   SINGLE      
LIG   C1'   B4'   SINGLE      
LIG   C1'   B5'   SINGLE      
LIG   C1'   B6'   SINGLE      
LIG   B3'   B4'   SINGLE      
LIG   B3'   C7'   SINGLE      
LIG   B3'   B8'   SINGLE      
LIG   B4'   B5'   SINGLE      
LIG   B4'   B8'   SINGLE      
LIG   B4'   C9'   SINGLE      
LIG   B5'   B6'   SINGLE      
LIG   B5'   C9'   SINGLE      
LIG   B5'   B10'   SINGLE      
LIG   B6'   B10'   SINGLE      
LIG   B6'   B11'   SINGLE      
LIG   C7'   B8'   SINGLE      
LIG   C7'   B11'   SINGLE      
LIG   C7'   B12'   SINGLE      
LIG   B8'   C9'   SINGLE      
LIG   B8'   B12'   SINGLE      
LIG   C9'   B10'   SINGLE      
LIG   C9'   B12'   SINGLE      
LIG   B10'   B11'   SINGLE      
LIG   B10'   B12'   SINGLE      
LIG   B11'   B12'   SINGLE      
LIG   B4   C9   SINGLE      
LIG   C9   B10   SINGLE      
LIG   C9   B12   SINGLE      
LIG   B10   B12   SINGLE      
