data_comp_carborone_7105853_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   B18   B1   B     11.3171   11.3013   5.55992   
LIG   B17   B2   B     10.7528   10.1368   4.33929   
LIG   B16   B3   B     11.2534   9.57363   5.92598   
LIG   B15   B4   B     10.7158   10.7305   7.14401   
LIG   B14   B5   B     9.84783   12.0343   6.28683   
LIG   B13   B6   B     9.88338   11.6602   4.56466   
LIG   B12   B9   B     9.75601   9.25483   6.84699   
LIG   B11   B10   B     8.94881   10.8221   7.17006   
LIG   B10   B11   B     8.42598   11.3299   5.51954   
LIG   C14   C7   C     9.051   10.1883   4.4852   
LIG   C13   C8   C     9.76193   9.0353   5.24337   
LIG   B9   B1   B     3.49391   7.78872   7.46708   
LIG   B8   B2   B     4.05821   8.95321   8.68771   
LIG   B7   B3   B     3.5576   9.51637   7.10102   
LIG   B6   B4   B     4.09524   8.35951   5.88299   
LIG   B5   B5   B     4.96317   7.05566   6.74017   
LIG   B4   B6   B     4.92762   7.42983   8.46234   
LIG   B3   B9   B     5.05499   9.83517   6.18001   
LIG   B2   B10   B     5.86219   8.26788   5.85694   
LIG   B1   B11   B     6.38502   7.76009   7.50746   
LIG   C7   C7   C     5.76   8.90167   8.5418   
LIG   C6   C8   C     5.04907   10.0547   7.78363   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   B18   B17   SINGLE      
LIG   B18   B16   SINGLE      
LIG   B18   B15   SINGLE      
LIG   B18   B14   SINGLE      
LIG   B18   B13   SINGLE      
LIG   B17   B16   SINGLE      
LIG   B17   B13   SINGLE      
LIG   B17   C14   SINGLE      
LIG   B17   C13   SINGLE      
LIG   B16   B15   SINGLE      
LIG   B16   B12   SINGLE      
LIG   B16   C13   SINGLE      
LIG   B15   B14   SINGLE      
LIG   B15   B12   SINGLE      
LIG   B15   B11   SINGLE      
LIG   B14   B13   SINGLE      
LIG   B14   B11   SINGLE      
LIG   B14   B10   SINGLE      
LIG   B13   B10   SINGLE      
LIG   B13   C14   SINGLE      
LIG   B12   B11   SINGLE      
LIG   B12   C13   SINGLE      
LIG   B11   B10   SINGLE      
LIG   B10   C14   SINGLE      
LIG   C14   C13   SINGLE      
LIG   B9   B8   SINGLE      
LIG   B9   B7   SINGLE      
LIG   B9   B6   SINGLE      
LIG   B9   B5   SINGLE      
LIG   B9   B4   SINGLE      
LIG   B8   B7   SINGLE      
LIG   B8   B4   SINGLE      
LIG   B8   C7   SINGLE      
LIG   B8   C6   SINGLE      
LIG   B7   B6   SINGLE      
LIG   B7   B3   SINGLE      
LIG   B7   C6   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   B3   SINGLE      
LIG   B6   B2   SINGLE      
LIG   B5   B4   SINGLE      
LIG   B5   B2   SINGLE      
LIG   B5   B1   SINGLE      
LIG   B4   B1   SINGLE      
LIG   B4   C7   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B3   C6   SINGLE      
LIG   B2   B1   SINGLE      
LIG   B1   C7   SINGLE      
LIG   C7   C6   SINGLE      
