data_comp_carborone_7029305_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   C2   C2   C     3.24038   3.52601   1.44852   
LIG   B3   B3   B     1.99387   2.54159   0.829069   
LIG   C4   C4   C     0.594569   3.31733   0.278236   
LIG   B5   B5   B     0.46127   4.99017   0.126898   
LIG   B6   B6   B     1.77911   5.97119   0.70687   
LIG   B7   B7   B     3.21368   5.19205   1.39024   
LIG   B8   B8   B     2.14942   2.82625   2.56711   
LIG   B9   B9   B     0.572807   2.71284   1.87151   
LIG   B10   B10   B     -0.327045   4.12029   1.44006   
LIG   B11   B11   B     0.357301   5.65024   1.72582   
LIG   B12   B12   B     1.93118   5.81128   2.46089   
LIG   B14   B14   B     0.871465   4.26319   2.91396   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C2   B3   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C2   B8   SINGLE      
LIG   B3   C4   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3   B9   SINGLE      
LIG   C4   B5   SINGLE      
LIG   C4   B9   SINGLE      
LIG   C4   B10   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B5   B11   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B6   B12   SINGLE      
LIG   B7   B12   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B14   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B14   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B14   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B11   B14   SINGLE      
LIG   B12   B14   SINGLE      
