data_comp_carborone_4075409_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   B8   B4   B     9.37157   1.07626   0.258441   
LIG   B7   B5   B     10.7155   0.480109   1.03055   
LIG   C32   C2   C     5.43723   0.742918   1.15897   
LIG   Er2   Er   Er    6.98983   1.55932   -0.857446   
LIG   C27   C1   C     11.345   -0.572263   0.0754455   
LIG   C26   C2   C     10.5108   -0.742918   -1.15897   
LIG   B6   B3   B     9.28161   0.207061   -1.15095   
LIG   B5   B6   B     10.8814   0.869203   -0.696667   
LIG   Er1   Er   Er    8.95817   -1.55932   0.857446   
LIG   C11   C1   C     4.60299   0.572263   -0.0754455   
LIG   B4   B3   B     6.66639   -0.207061   1.15095   
LIG   B3   B4   B     6.57643   -1.07626   -0.258441   
LIG   B2   B5   B     5.23252   -0.480109   -1.03055   
LIG   B1   B6   B     5.06658   -0.869203   0.696667   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   B8   B7   SINGLE      
LIG   B8   Er2   SINGLE      
LIG   B8   B6   SINGLE      
LIG   B8   B5   SINGLE      
LIG   B8   Er1   SINGLE      
LIG   B7   C27   SINGLE      
LIG   B7   B5   SINGLE      
LIG   B7   Er1   SINGLE      
LIG   C32   Er2   SINGLE      
LIG   C32   C11   SINGLE      
LIG   C32   B4   SINGLE      
LIG   C32   B1   SINGLE      
LIG   Er2   B6   SINGLE      
LIG   Er2   C11   SINGLE      
LIG   Er2   B4   SINGLE      
LIG   Er2   B3   SINGLE      
LIG   Er2   B2   SINGLE      
LIG   C27   C26   SINGLE      
LIG   C27   B5   SINGLE      
LIG   C27   Er1   SINGLE      
LIG   C26   B6   SINGLE      
LIG   C26   B5   SINGLE      
LIG   C26   Er1   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   Er1   SINGLE      
LIG   Er1   B4   SINGLE      
LIG   Er1   B3   SINGLE      
LIG   C11   B2   SINGLE      
LIG   C11   B1   SINGLE      
LIG   B4   B3   SINGLE      
LIG   B4   B1   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B3   B1   SINGLE      
LIG   B2   B1   SINGLE      
