data_comp_carborone_7033942_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     6.49234   3.97934   14.2253   
LIG   B3   B3   B     7.83521   3.94547   15.2803   
LIG   B4   B4   B     6.14805   3.92753   15.8873   
LIG   B5   B5   B     5.15837   3.03216   14.7368   
LIG   B6   B6   B     6.22608   2.47356   13.414   
LIG   B7   B7   B     8.42813   2.22049   15.2699   
LIG   C8   C8   C     7.3087   2.80766   16.4697   
LIG   B9   B9   B     5.68605   2.2537   16.2317   
LIG   B10   B10   B     5.72584   1.35102   14.7062   
LIG   B11   B11   B     7.41465   1.32778   14.1234   
LIG   B12   B12   B     7.08104   1.21818   15.8527   
LIG   C1'   C1'   C     7.82877   2.9496   17.9046   
LIG   C2'   C2'   C     8.02974   4.49677   18.505   
LIG   B3'   B3'   B     9.43034   3.56022   18.1153   
LIG   B4'   B4'   B     9.01707   1.88971   18.545   
LIG   B5'   B5'   B     7.34521   1.86845   19.1584   
LIG   B6'   B6'   B     6.75232   3.52302   19.1084   
LIG   B7'   B7'   B     9.36864   4.55788   19.577   
LIG   B8'   B8'   B     10.0017   2.89533   19.6379   
LIG   B9'   B9'   B     8.7149   1.84786   20.294   
LIG   B10'   B10'   B     7.29077   2.86478   20.6351   
LIG   B11'   B11'   B     7.69701   4.53729   20.1921   
LIG   B12'   B12'   B     8.93541   3.49778   20.9373   
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   B3   SINGLE      
LIG   C1   B4   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   B6   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   C8   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   C8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   C8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   B12   SINGLE      
LIG   C8   B9   SINGLE      
LIG   C8   B12   SINGLE      
LIG   C8   C1'   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B11   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'   B11'   SINGLE      
LIG   B3'   B4'   SINGLE      
LIG   B3'   B7'   SINGLE      
LIG   B3'   B8'   SINGLE      
LIG   B4'   B5'   SINGLE      
LIG   B4'   B8'   SINGLE      
LIG   B4'   B9'   SINGLE      
LIG   B5'   B6'   SINGLE      
LIG   B5'   B9'   SINGLE      
LIG   B5'   B10'   SINGLE      
LIG   B6'   B10'   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      
