data_comp_carborone_7003439_2
_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   Fe4C   Fe4C   Fe    4.60972   15.6967   4.48981   
LIG   C1C   C1C   C     4.43069   17.6693   5.09807   
LIG   B2C   B2C   B     5.9153   17.3786   5.25986   
LIG   B3C   B3C   B     3.25052   16.9452   5.76161   
LIG   B5C   B5C   B     4.64972   17.9039   6.80953   
LIG   B6C   B6C   B     6.37277   15.7562   5.83919   
LIG   B7C   B7C   B     3.49999   15.2603   6.3426   
LIG   B8C   B8C   B     3.45956   16.5875   7.50808   
LIG   B9C   B9C   B     6.37245   17.0942   7.00209   
LIG   C10C   C10C   C     5.109   14.7693   6.3461   
LIG   B11C   B11C   B     5.08103   16.8   8.15577   
LIG   B12C   B12C   B     6.10812   15.4787   7.55488   
LIG   B13C   B13C   B     4.40473   15.1833   7.85929   
LIG   C1D   C1D   C     3.23752   16.215   3.03559   
LIG   B2D   B2D   B     2.79191   14.8296   3.47672   
LIG   B3D   B3D   B     4.60282   16.6276   2.46381   
LIG   B5D   B5D   B     3.40437   15.3341   1.5681   
LIG   B6D   B6D   B     4.0725   13.6455   3.83162   
LIG   B7D   B7D   B     6.03043   15.5919   2.80489   
LIG   B8D   B8D   B     5.26707   15.5319   1.20823   
LIG   B9D   B9D   B     3.26834   13.5601   2.25412   
LIG   C10D   C10D   C     5.6454   14.1088   3.48391   
LIG   B11D   B11D   B     4.46066   13.985   1.03649   
LIG   B12D   B12D   B     4.89317   12.961   2.43028   
LIG   B13D   B13D   B     6.05411   14.1181   1.80893   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Fe4C   C1C   SINGLE      
LIG   Fe4C   B2C   SINGLE      
LIG   Fe4C   B3C   SINGLE      
LIG   Fe4C   B6C   SINGLE      
LIG   Fe4C   B7C   SINGLE      
LIG   Fe4C   C10C   SINGLE      
LIG   Fe4C   C1D   SINGLE      
LIG   Fe4C   B2D   SINGLE      
LIG   Fe4C   B3D   SINGLE      
LIG   Fe4C   B6D   SINGLE      
LIG   Fe4C   B7D   SINGLE      
LIG   Fe4C   C10D   SINGLE      
LIG   C1C   B2C   SINGLE      
LIG   C1C   B3C   SINGLE      
LIG   C1C   B5C   SINGLE      
LIG   B2C   B6C   SINGLE      
LIG   B2C   B9C   SINGLE      
LIG   B3C   B7C   SINGLE      
LIG   B3C   B8C   SINGLE      
LIG   B5C   B8C   SINGLE      
LIG   B5C   B9C   SINGLE      
LIG   B5C   B11C   SINGLE      
LIG   B6C   B9C   SINGLE      
LIG   B6C   C10C   SINGLE      
LIG   B6C   B12C   SINGLE      
LIG   B7C   B8C   SINGLE      
LIG   B7C   C10C   SINGLE      
LIG   B7C   B13C   SINGLE      
LIG   B8C   B11C   SINGLE      
LIG   B8C   B13C   SINGLE      
LIG   B9C   B11C   SINGLE      
LIG   B9C   B12C   SINGLE      
LIG   C10C   B12C   SINGLE      
LIG   C10C   B13C   SINGLE      
LIG   B11C   B12C   SINGLE      
LIG   B11C   B13C   SINGLE      
LIG   B12C   B13C   SINGLE      
LIG   C1D   B2D   SINGLE      
LIG   C1D   B3D   SINGLE      
LIG   C1D   B5D   SINGLE      
LIG   B2D   B6D   SINGLE      
LIG   B2D   B9D   SINGLE      
LIG   B3D   B5D   SINGLE      
LIG   B3D   B7D   SINGLE      
LIG   B3D   B8D   SINGLE      
LIG   B5D   B8D   SINGLE      
LIG   B5D   B9D   SINGLE      
LIG   B5D   B11D   SINGLE      
LIG   B6D   B9D   SINGLE      
LIG   B6D   C10D   SINGLE      
LIG   B6D   B12D   SINGLE      
LIG   B7D   B8D   SINGLE      
LIG   B7D   C10D   SINGLE      
LIG   B7D   B13D   SINGLE      
LIG   B8D   B11D   SINGLE      
LIG   B8D   B13D   SINGLE      
LIG   B9D   B11D   SINGLE      
LIG   B9D   B12D   SINGLE      
LIG   C10D   B12D   SINGLE      
LIG   C10D   B13D   SINGLE      
LIG   B11D   B12D   SINGLE      
LIG   B11D   B13D   SINGLE      
LIG   B12D   B13D   SINGLE      
