data_comp_carborone_4075414_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   C28   C1   C     -0.448894   1.06686   2.61527   
LIG   Ho2   Ho   Ho    -0.703946   1.89954   0.112298   
LIG   C24   C1   C     0.448894   -1.06686   -2.61527   
LIG   C23   C2   C     1.88643   -1.38797   -2.43861   
LIG   B8   B3   B     2.5788   -0.475792   -1.41437   
LIG   B7   B4   B     1.43051   0.61832   -0.932748   
LIG   B6   B5   B     0.0559056   0.161811   -1.7372   
LIG   B5   B6   B     1.56459   0.255712   -2.69414   
LIG   Ho1   Ho   Ho    0.703946   -1.89954   -0.112298   
LIG   C10   C2   C     -1.88643   1.38797   2.43861   
LIG   B4   B3   B     -2.5788   0.475792   1.41437   
LIG   B3   B4   B     -1.43051   -0.61832   0.932748   
LIG   B2   B5   B     -0.0559056   -0.161811   1.7372   
LIG   B1   B6   B     -1.56459   -0.255712   2.69414   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C28   Ho2   SINGLE      
LIG   C28   C10   SINGLE      
LIG   C28   B2   SINGLE      
LIG   C28   B1   SINGLE      
LIG   Ho2   B7   SINGLE      
LIG   Ho2   B6   SINGLE      
LIG   Ho2   C10   SINGLE      
LIG   Ho2   B4   SINGLE      
LIG   Ho2   B3   SINGLE      
LIG   Ho2   B2   SINGLE      
LIG   C24   C23   SINGLE      
LIG   C24   B6   SINGLE      
LIG   C24   B5   SINGLE      
LIG   C24   Ho1   SINGLE      
LIG   C23   B8   SINGLE      
LIG   C23   B5   SINGLE      
LIG   C23   Ho1   SINGLE      
LIG   B8   B7   SINGLE      
LIG   B8   B5   SINGLE      
LIG   B8   Ho1   SINGLE      
LIG   B7   B6   SINGLE      
LIG   B7   B5   SINGLE      
LIG   B7   Ho1   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   Ho1   SINGLE      
LIG   Ho1   B3   SINGLE      
LIG   Ho1   B2   SINGLE      
LIG   C10   B4   SINGLE      
LIG   C10   B1   SINGLE      
LIG   B4   B3   SINGLE      
LIG   B4   B1   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B3   B1   SINGLE      
LIG   B2   B1   SINGLE      
