data_comp_carborone_4076220_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   Er2   Er1   Er    3.19352   7.31162   1.09896   
LIG   C43   C2   C     4.39768   9.28656   1.61597   
LIG   B20   B6   B     5.09028   5.54658   1.89445   
LIG   B19   B7   B     5.89438   6.83672   1.03652   
LIG   B18   B8   B     5.599   8.60035   0.885411   
LIG   B17   B3   B     4.09365   8.76704   3.10581   
LIG   B16   B4   B     3.82611   7.17707   3.66902   
LIG   C29   C5   C     3.7913   5.79196   2.80359   
LIG   B15   B11   B     5.15611   5.92148   3.69774   
LIG   B14   B12   B     6.46328   6.36065   2.70369   
LIG   B13   B13   B     6.73641   7.99486   2.15296   
LIG   B12   B9   B     5.70858   9.29193   2.53884   
LIG   B11   B10   B     5.71106   7.75356   3.67901   
LIG   Er1   Er1   Er    5.49075   5.19048   -1.09896   
LIG   C28   C2   C     4.28659   3.21553   -1.61597   
LIG   B10   B6   B     3.59399   6.95551   -1.89445   
LIG   B9   B7   B     2.78989   5.66538   -1.03652   
LIG   B8   B8   B     3.08527   3.90175   -0.885411   
LIG   B7   B3   B     4.59062   3.73505   -3.10581   
LIG   B6   B4   B     4.85816   5.32502   -3.66902   
LIG   C8   C5   C     4.89297   6.71013   -2.80359   
LIG   B5   B11   B     3.52816   6.58061   -3.69774   
LIG   B4   B12   B     2.22099   6.14145   -2.70369   
LIG   B3   B13   B     1.94786   4.50723   -2.15296   
LIG   B2   B9   B     2.97569   3.21016   -2.53884   
LIG   B1   B10   B     2.97321   4.74854   -3.67901   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Er2   C43   SINGLE      
LIG   Er2   B20   SINGLE      
LIG   Er2   B19   SINGLE      
LIG   Er2   B18   SINGLE      
LIG   Er2   B17   SINGLE      
LIG   Er2   B16   SINGLE      
LIG   Er2   C29   SINGLE      
LIG   Er2   B10   SINGLE      
LIG   Er2   B9   SINGLE      
LIG   C43   B18   SINGLE      
LIG   C43   B17   SINGLE      
LIG   C43   B12   SINGLE      
LIG   B20   B19   SINGLE      
LIG   B20   C29   SINGLE      
LIG   B20   B15   SINGLE      
LIG   B20   B14   SINGLE      
LIG   B20   Er1   SINGLE      
LIG   B19   B18   SINGLE      
LIG   B19   B14   SINGLE      
LIG   B19   B13   SINGLE      
LIG   B19   Er1   SINGLE      
LIG   B18   B13   SINGLE      
LIG   B18   B12   SINGLE      
LIG   B17   B16   SINGLE      
LIG   B17   B12   SINGLE      
LIG   B16   C29   SINGLE      
LIG   B16   B15   SINGLE      
LIG   B16   B11   SINGLE      
LIG   C29   B15   SINGLE      
LIG   B15   B14   SINGLE      
LIG   B15   B11   SINGLE      
LIG   B14   B13   SINGLE      
LIG   B14   B11   SINGLE      
LIG   B13   B12   SINGLE      
LIG   B13   B11   SINGLE      
LIG   B12   B11   SINGLE      
LIG   Er1   C28   SINGLE      
LIG   Er1   B10   SINGLE      
LIG   Er1   B9   SINGLE      
LIG   Er1   B8   SINGLE      
LIG   Er1   B7   SINGLE      
LIG   Er1   B6   SINGLE      
LIG   Er1   C8   SINGLE      
LIG   C28   B8   SINGLE      
LIG   C28   B7   SINGLE      
LIG   C28   B2   SINGLE      
LIG   B10   B9   SINGLE      
LIG   B10   C8   SINGLE      
LIG   B10   B5   SINGLE      
LIG   B10   B4   SINGLE      
LIG   B9   B8   SINGLE      
LIG   B9   B4   SINGLE      
LIG   B9   B3   SINGLE      
LIG   B8   B3   SINGLE      
LIG   B8   B2   SINGLE      
LIG   B7   B6   SINGLE      
LIG   B7   B2   SINGLE      
LIG   B6   C8   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   B1   SINGLE      
LIG   C8   B5   SINGLE      
LIG   B5   B4   SINGLE      
LIG   B5   B1   SINGLE      
LIG   B4   B3   SINGLE      
LIG   B4   B1   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B3   B1   SINGLE      
LIG   B2   B1   SINGLE      
