data_comp_carborone_7044481_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   B1   B1   B     1.91386   9.35798   17.3762   
LIG   C2   C2   C     1.98639   10.7712   16.4542   
LIG   C4   C4   C     3.51814   8.94565   17.641   
LIG   B6   B6   B     3.01916   11.0327   15.1559   
LIG   B7   B7   B     3.01411   12.0665   16.6892   
LIG   B8   B8   B     4.74678   9.98095   18.0572   
LIG   B9   B9   B     4.72773   8.97852   16.498   
LIG   B10   B10   B     4.56308   10.1303   15.1379   
LIG   B11   B11   B     4.5833   11.693   17.5434   
LIG   B13   B13   B     4.53273   11.7976   15.7771   
LIG   B12   B12   B     5.54604   10.5725   16.5617   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   B1   C2   SINGLE      
LIG   B1   C4   SINGLE      
LIG   C2   B6   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C4   B8   SINGLE      
LIG   C4   B9   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B13   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   B13   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B8   B12   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B10   B13   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B11   B13   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B13   B12   SINGLE      
