data_comp_carborone_7003439_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   Fe4A   Fe4A   Fe    -0.80528   7.97583   -4.71653   
LIG   C1A   C1A   C     -0.953221   9.95446   -4.10175   
LIG   B2A   B2A   B     0.535992   9.63658   -3.95342   
LIG   B3A   B3A   B     -2.13662   9.24682   -3.42513   
LIG   B5A   B5A   B     -0.698938   10.1853   -2.39821   
LIG   B6A   B6A   B     0.98069   8.00614   -3.39306   
LIG   B7A   B7A   B     -1.89862   7.55763   -2.85022   
LIG   B8A   B8A   B     -1.89626   8.88876   -1.68474   
LIG   B9A   B9A   B     1.0164   9.33966   -2.23109   
LIG   C10A   C10A   C     -0.296011   7.0365   -2.86809   
LIG   B11A   B11A   B     -0.261267   9.06803   -1.05492   
LIG   B12A   B12A   B     0.730612   7.72829   -1.66944   
LIG   B13A   B13A   B     -0.979377   7.46805   -1.34919   
LIG   C1B   C1B   C     -2.22163   8.47434   -6.13843   
LIG   B2B   B2B   B     -2.62347   7.07528   -5.71241   
LIG   B3B   B3B   B     -0.885162   8.92776   -6.73859   
LIG   B5B   B5B   B     -2.0786   7.597   -7.6214   
LIG   B6B   B6B   B     -1.31617   5.90882   -5.38221   
LIG   B7B   B7B   B     0.56977   7.91933   -6.4375   
LIG   B8B   B8B   B     -0.2323   7.84986   -8.01518   
LIG   B9B   B9B   B     -2.14199   5.82071   -6.93299   
LIG   C10B   C10B   C     0.250137   6.41847   -5.75479   
LIG   B11B   B11B   B     -0.997933   6.2735   -8.18028   
LIG   B12B   B12B   B     -0.500711   5.26311   -6.80584   
LIG   B13B   B13B   B     0.616358   6.45645   -7.4399   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Fe4A   C1A   SINGLE      
LIG   Fe4A   B2A   SINGLE      
LIG   Fe4A   B3A   SINGLE      
LIG   Fe4A   B6A   SINGLE      
LIG   Fe4A   B7A   SINGLE      
LIG   Fe4A   C10A   SINGLE      
LIG   Fe4A   C1B   SINGLE      
LIG   Fe4A   B2B   SINGLE      
LIG   Fe4A   B3B   SINGLE      
LIG   Fe4A   B6B   SINGLE      
LIG   Fe4A   B7B   SINGLE      
LIG   Fe4A   C10B   SINGLE      
LIG   C1A   B2A   SINGLE      
LIG   C1A   B3A   SINGLE      
LIG   C1A   B5A   SINGLE      
LIG   B2A   B6A   SINGLE      
LIG   B2A   B9A   SINGLE      
LIG   B3A   B7A   SINGLE      
LIG   B3A   B8A   SINGLE      
LIG   B5A   B8A   SINGLE      
LIG   B5A   B9A   SINGLE      
LIG   B5A   B11A   SINGLE      
LIG   B6A   B9A   SINGLE      
LIG   B6A   C10A   SINGLE      
LIG   B6A   B12A   SINGLE      
LIG   B7A   B8A   SINGLE      
LIG   B7A   C10A   SINGLE      
LIG   B7A   B13A   SINGLE      
LIG   B8A   B11A   SINGLE      
LIG   B8A   B13A   SINGLE      
LIG   B9A   B11A   SINGLE      
LIG   B9A   B12A   SINGLE      
LIG   C10A   B12A   SINGLE      
LIG   C10A   B13A   SINGLE      
LIG   B11A   B12A   SINGLE      
LIG   B11A   B13A   SINGLE      
LIG   B12A   B13A   SINGLE      
LIG   C1B   B2B   SINGLE      
LIG   C1B   B3B   SINGLE      
LIG   C1B   B5B   SINGLE      
LIG   B2B   B6B   SINGLE      
LIG   B2B   B9B   SINGLE      
LIG   B3B   B7B   SINGLE      
LIG   B3B   B8B   SINGLE      
LIG   B5B   B8B   SINGLE      
LIG   B5B   B9B   SINGLE      
LIG   B5B   B11B   SINGLE      
LIG   B6B   B9B   SINGLE      
LIG   B6B   C10B   SINGLE      
LIG   B6B   B12B   SINGLE      
LIG   B7B   B8B   SINGLE      
LIG   B7B   C10B   SINGLE      
LIG   B7B   B13B   SINGLE      
LIG   B8B   B11B   SINGLE      
LIG   B8B   B13B   SINGLE      
LIG   B9B   B11B   SINGLE      
LIG   B9B   B12B   SINGLE      
LIG   C10B   B12B   SINGLE      
LIG   C10B   B13B   SINGLE      
LIG   B11B   B12B   SINGLE      
LIG   B11B   B13B   SINGLE      
LIG   B12B   B13B   SINGLE      
