data_comp_carborone_7003442_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   C1B   C1B   C     -1.26824   6.83985   19.489   
LIG   B2B   B2B   B     -0.778476   5.45117   19.9223   
LIG   B5B   B5B   B     -0.386257   6.22241   18.1066   
LIG   B6B   B6B   B     0.923148   5.35739   20.554   
LIG   B9B   B9B   B     0.567795   4.78047   18.9285   
LIG   C10B   C10B   C     1.86247   6.72356   20.3352   
LIG   B11B   B11B   B     1.36393   5.85104   17.7898   
LIG   B12B   B12B   B     2.16659   5.36489   19.3067   
LIG   B13B   B13B   B     2.39073   6.98689   18.7022   
LIG   Fe4   Fe4   Fe    -0.0734834   7.29539   21.1018   
LIG   C1A   C1A   C     -0.626122   6.25692   22.7948   
LIG   B2A   B2A   B     -1.94417   6.95238   22.4105   
LIG   B3A   B3A   B     0.691675   6.92387   23.2111   
LIG   B5A   B5A   B     -1.06004   7.28323   24.155   
LIG   B6A   B6A   B     -1.78468   8.61489   21.6725   
LIG   B7A   B7A   B     1.00535   8.58488   22.5679   
LIG   B8A   B8A   B     0.484935   8.38382   24.2399   
LIG   B9A   B9A   B     -2.34971   8.41383   23.3324   
LIG   C10A   C10A   C     -0.280755   9.33136   21.8052   
LIG   B11A   B11A   B     -1.12211   9.07928   24.4003   
LIG   B12A   B12A   B     -1.53904   9.88278   22.8622   
LIG   B13A   B13A   B     0.127335   9.87078   23.412   
LIG   B3B   B3B   B     -0.403795   8.0057   18.9655   
LIG   B7B   B7B   B     1.31535   8.09648   19.5474   
LIG   B8B   B8B   B     0.957211   7.56532   17.9054   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C1B   B2B   SINGLE      
LIG   C1B   B5B   SINGLE      
LIG   C1B   Fe4   SINGLE      
LIG   C1B   B3B   SINGLE      
LIG   B2B   B6B   SINGLE      
LIG   B2B   B9B   SINGLE      
LIG   B2B   Fe4   SINGLE      
LIG   B5B   B9B   SINGLE      
LIG   B5B   B11B   SINGLE      
LIG   B5B   B3B   SINGLE      
LIG   B5B   B8B   SINGLE      
LIG   B6B   B9B   SINGLE      
LIG   B6B   C10B   SINGLE      
LIG   B6B   B12B   SINGLE      
LIG   B6B   Fe4   SINGLE      
LIG   B9B   B11B   SINGLE      
LIG   B9B   B12B   SINGLE      
LIG   C10B   B12B   SINGLE      
LIG   C10B   B13B   SINGLE      
LIG   C10B   Fe4   SINGLE      
LIG   C10B   B7B   SINGLE      
LIG   B11B   B12B   SINGLE      
LIG   B11B   B13B   SINGLE      
LIG   B11B   B8B   SINGLE      
LIG   B12B   B13B   SINGLE      
LIG   B13B   B7B   SINGLE      
LIG   B13B   B8B   SINGLE      
LIG   Fe4   C1A   SINGLE      
LIG   Fe4   B2A   SINGLE      
LIG   Fe4   B3A   SINGLE      
LIG   Fe4   B6A   SINGLE      
LIG   Fe4   B7A   SINGLE      
LIG   Fe4   C10A   SINGLE      
LIG   Fe4   B3B   SINGLE      
LIG   Fe4   B7B   SINGLE      
LIG   C1A   B2A   SINGLE      
LIG   C1A   B3A   SINGLE      
LIG   C1A   B5A   SINGLE      
LIG   B2A   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   B3B   B7B   SINGLE      
LIG   B3B   B8B   SINGLE      
LIG   B7B   B8B   SINGLE      
