data_comp_carborone_4077704_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     4.7063   16.8557   2.02401   
LIG   C2   C2   C     6.25494   17.0511   1.32329   
LIG   B3   B3   B     5.68113   18.1757   2.4572   
LIG   B4   B4   B     3.9686   18.3807   2.15691   
LIG   B5   B5   B     3.5183   17.3042   0.872434   
LIG   B6   B6   B     4.95767   16.4391   0.392119   
LIG   B8   B8   B     6.5548   18.7066   1.001   
LIG   B9   B9   B     5.09739   19.5725   1.54023   
LIG   B10   B10   B     3.76919   19.0279   0.530218   
LIG   C1'   C1'   C     4.19114   17.011   6.2259   
LIG   C2'   C2'   C     2.88371   16.6712   7.2827   
LIG   B3'   B3'   B     4.47732   16.1784   7.6762   
LIG   B4'   B4'   B     5.53673   17.4739   7.14512   
LIG   B5'   B5'   B     4.56992   18.6728   6.36209   
LIG   B6'   B6'   B     2.90806   18.1245   6.41477   
LIG   B7'   B7'   B     2.40297   18.085   8.11667   
LIG   B8'   B8'   B     3.39297   16.8577   8.91269   
LIG   B9'   B9'   B     5.06526   17.3605   8.84511   
LIG   B10'   B10'   B     5.12258   18.931   8.04164   
LIG   B11'   B11'   B     3.47417   19.3752   7.56098   
LIG   B12'   B12'   B     3.80106   18.5562   9.10554   
LIG   B7   B7   B     6.10426   17.6096   -0.277238   
LIG   B11   B11   B     4.3941   17.7896   -0.587918   
LIG   B12   B12   B     5.34736   19.2065   -0.173794   
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   B3   SINGLE      
LIG   C1   B4   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   B6   SINGLE      
LIG   C2   B3   SINGLE      
LIG   C2   B6   SINGLE      
LIG   C2   B8   SINGLE      
LIG   C2   B7   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3   B9   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B4   B10   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B5   B11   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B7   SINGLE      
LIG   B8   B12   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B12   SINGLE      
LIG   C1'   C2'   SINGLE      
LIG   C1'   B3'   SINGLE      
LIG   C1'   B4'   SINGLE      
LIG   C1'   B5'   SINGLE      
LIG   C1'   B6'   SINGLE      
LIG   C2'   B3'   SINGLE      
LIG   C2'   B6'   SINGLE      
LIG   C2'   B7'   SINGLE      
LIG   C2'   B8'   SINGLE      
LIG   B3'   B4'   SINGLE      
LIG   B3'   B8'   SINGLE      
LIG   B3'   B9'   SINGLE      
LIG   B4'   B5'   SINGLE      
LIG   B4'   B9'   SINGLE      
LIG   B4'   B10'   SINGLE      
LIG   B5'   B6'   SINGLE      
LIG   B5'   B10'   SINGLE      
LIG   B5'   B11'   SINGLE      
LIG   B6'   B7'   SINGLE      
LIG   B6'   B11'   SINGLE      
LIG   B7'   B8'   SINGLE      
LIG   B7'   B11'   SINGLE      
LIG   B7'   B12'   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      
LIG   B7   B11   SINGLE      
LIG   B7   B12   SINGLE      
LIG   B11   B12   SINGLE      
