data_comp_carborone_4066464_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   B4B   B4B   B     1.856   1.34187   2.23772   
LIG   Rh6A   Rh6A   Rh    4.73424   -1.53575   3.06492   
LIG   C1A   C1A   C     6.42792   -2.67725   0.604008   
LIG   B2A   B2A   B     6.60864   -2.25665   2.15667   
LIG   B3A   B3A   B     5.09587   -1.85324   0.877467   
LIG   B4A   B4A   B     5.12988   -3.62872   0.40878   
LIG   B5A   B5A   B     6.50877   -3.97204   1.55877   
LIG   B7A   B7A   B     3.87346   -2.98956   1.48594   
LIG   B8A   B8A   B     4.8268   -4.47989   1.9605   
LIG   B9A   B9A   B     5.84981   -3.5277   3.17862   
LIG   B10A   B10A   B     4.08487   -3.50988   3.14925   
LIG   Rh6B   Rh6B   Rh    1.92429   -2.04805   2.37881   
LIG   C1B   C1B   C     0.584389   0.656636   1.50003   
LIG   B2B   B2B   B     0.17718   -0.750473   2.18251   
LIG   B3B   B3B   B     1.90024   -0.178521   1.18405   
LIG   B5B   B5B   B     0.338084   0.819715   3.10109   
LIG   B7B   B7B   B     2.98266   0.00626009   2.57484   
LIG   B8B   B8B   B     1.93275   0.697966   3.91043   
LIG   B9B   B9B   B     0.770392   -0.742136   3.87871   
LIG   B10B   B10B   B     2.52364   -0.89853   3.97151   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   B4B   C1B   SINGLE      
LIG   B4B   B3B   SINGLE      
LIG   B4B   B5B   SINGLE      
LIG   B4B   B7B   SINGLE      
LIG   B4B   B8B   SINGLE      
LIG   Rh6A   B2A   SINGLE      
LIG   Rh6A   B3A   SINGLE      
LIG   Rh6A   B7A   SINGLE      
LIG   Rh6A   B9A   SINGLE      
LIG   Rh6A   B10A   SINGLE      
LIG   Rh6A   B7B   SINGLE      
LIG   Rh6A   B10B   SINGLE      
LIG   C1A   B2A   SINGLE      
LIG   C1A   B3A   SINGLE      
LIG   C1A   B4A   SINGLE      
LIG   C1A   B5A   SINGLE      
LIG   B2A   B5A   SINGLE      
LIG   B2A   B9A   SINGLE      
LIG   B3A   B4A   SINGLE      
LIG   B3A   B7A   SINGLE      
LIG   B4A   B5A   SINGLE      
LIG   B4A   B7A   SINGLE      
LIG   B4A   B8A   SINGLE      
LIG   B5A   B8A   SINGLE      
LIG   B5A   B9A   SINGLE      
LIG   B7A   B8A   SINGLE      
LIG   B7A   B10A   SINGLE      
LIG   B7A   Rh6B   SINGLE      
LIG   B8A   B9A   SINGLE      
LIG   B8A   B10A   SINGLE      
LIG   B9A   B10A   SINGLE      
LIG   B10A   Rh6B   SINGLE      
LIG   Rh6B   B2B   SINGLE      
LIG   Rh6B   B3B   SINGLE      
LIG   Rh6B   B7B   SINGLE      
LIG   Rh6B   B9B   SINGLE      
LIG   Rh6B   B10B   SINGLE      
LIG   C1B   B2B   SINGLE      
LIG   C1B   B3B   SINGLE      
LIG   C1B   B5B   SINGLE      
LIG   B2B   B5B   SINGLE      
LIG   B2B   B9B   SINGLE      
LIG   B3B   B7B   SINGLE      
LIG   B5B   B8B   SINGLE      
LIG   B5B   B9B   SINGLE      
LIG   B7B   B8B   SINGLE      
LIG   B7B   B10B   SINGLE      
LIG   B8B   B9B   SINGLE      
LIG   B8B   B10B   SINGLE      
LIG   B9B   B10B   SINGLE      
