data_comp_carborone_4064098_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   Y   Y   Y     1.35983   6.03511   4.78824   
LIG   B1   B1   B     2.54649   7.93631   6.2947   
LIG   B2   B2   B     3.58392   6.53307   6.24683   
LIG   B3   B3   B     3.98415   6.33624   4.55747   
LIG   B4   B4   B     3.86465   9.13431   4.10871   
LIG   B5   B5   B     3.45765   9.38084   5.7861   
LIG   B6   B6   B     4.23738   8.12118   6.75743   
LIG   B7   B7   B     5.15057   7.09107   5.64847   
LIG   B8   B8   B     4.93021   7.72179   4.00898   
LIG   B9   B9   B     5.06931   8.86891   5.33254   
LIG   C28   C28   C     3.24543   7.56928   3.7457   
LIG   C29   C29   C     2.40959   8.50161   4.73897   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Y   B1   SINGLE      
LIG   Y   B2   SINGLE      
LIG   Y   B3   SINGLE      
LIG   Y   C28   SINGLE      
LIG   Y   C29   SINGLE      
LIG   B1   B2   SINGLE      
LIG   B1   B5   SINGLE      
LIG   B1   B6   SINGLE      
LIG   B1   C29   SINGLE      
LIG   B2   B3   SINGLE      
LIG   B2   B6   SINGLE      
LIG   B2   B7   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3   C28   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B4   C28   SINGLE      
LIG   B4   C29   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   C29   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B9   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B9   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   C28   SINGLE      
LIG   C28   C29   SINGLE      
