data_comp_carborone_7706017_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     1.26866   9.04143   2.91446   
LIG   C2   C2   C     2.29918   8.42546   1.80545   
LIG   B3   B3   B     2.6478   8.12986   3.51848   
LIG   B5   B5   B     1.48995   10.7624   3.08279   
LIG   B6   B6   B     1.57729   9.94526   1.48529   
LIG   B7   B7   B     3.90777   8.49046   2.3187   
LIG   B8   B8   B     3.95433   9.32465   3.91125   
LIG   B9   B9   B     3.24839   10.9621   3.60924   
LIG   B10   B10   B     2.81423   11.1385   1.88631   
LIG   B11   B11   B     3.27839   9.61716   1.07766   
LIG   B12   B12   B     4.28678   10.2393   2.37976   
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   B5   SINGLE      
LIG   C1   B6   SINGLE      
LIG   C2   B3   SINGLE      
LIG   C2   B6   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C2   B11   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   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      
