data_comp_carborone_2020087_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   C1   C1   C     16.8798   7.2302   8.55804   
LIG   B2   B2   B     17.9021   7.2072   9.75622   
LIG   B3   B3   B     17.3137   7.24259   7.0667   
LIG   B5   B5   B     17.8418   5.72487   8.41549   
LIG   B6   B6   B     19.6224   7.76738   9.53702   
LIG   B9   B9   B     19.2785   6.01426   9.60426   
LIG   B8   B8   B     18.6256   6.01603   6.66327   
LIG   B7   B7   B     18.9999   7.7665   6.55569   
LIG   B10   B10   B     20.1864   8.14261   7.85473   
LIG   B11   B11   B     19.5595   5.34433   7.98921   
LIG   C12   C12   C     20.5133   6.63374   8.632   
LIG   B13   B13   B     20.2685   6.60011   6.92416   
LIG   C1'   C1'   C     15.3867   7.19127   8.90364   
LIG   B2'   B2'   B     14.9284   6.19037   10.0184   
LIG   B3'   B3'   B     14.4197   8.19128   8.18957   
LIG   B5'   B5'   B     14.7217   8.17447   10.2713   
LIG   B6'   B6'   B     13.1563   5.68239   10.165   
LIG   B9'   B9'   B     13.8328   6.86914   11.3161   
LIG   B7'   B7'   B     12.6232   7.92048   8.17344   
LIG   B10'   B10'   B     11.9628   6.53285   9.14301   
LIG   B11'   B11'   B     13.0843   8.43022   10.9773   
LIG   C12'   C12'   C     11.9397   8.16473   9.71453   
LIG   B13'   B13'   B     12.1175   6.90542   10.8993   
LIG   B8'   B8'   B     13.3079   9.08333   9.33934   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C1   B2   SINGLE      
LIG   C1   B3   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   C1'   SINGLE      
LIG   B2   B6   SINGLE      
LIG   B2   B9   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B8   SINGLE      
LIG   B5   B11   SINGLE      
LIG   B6   B9   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   C12   SINGLE      
LIG   B9   B11   SINGLE      
LIG   B9   C12   SINGLE      
LIG   B8   B7   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B8   B13   SINGLE      
LIG   B7   B10   SINGLE      
LIG   B7   B13   SINGLE      
LIG   B10   C12   SINGLE      
LIG   B10   B13   SINGLE      
LIG   B11   C12   SINGLE      
LIG   B11   B13   SINGLE      
LIG   C12   B13   SINGLE      
LIG   C1'   B2'   SINGLE      
LIG   C1'   B3'   SINGLE      
LIG   C1'   B5'   SINGLE      
LIG   B2'   B6'   SINGLE      
LIG   B2'   B9'   SINGLE      
LIG   B3'   B7'   SINGLE      
LIG   B3'   B8'   SINGLE      
LIG   B5'   B9'   SINGLE      
LIG   B5'   B11'   SINGLE      
LIG   B5'   B8'   SINGLE      
LIG   B6'   B9'   SINGLE      
LIG   B6'   B10'   SINGLE      
LIG   B6'   B13'   SINGLE      
LIG   B9'   B11'   SINGLE      
LIG   B9'   B13'   SINGLE      
LIG   B7'   B10'   SINGLE      
LIG   B7'   C12'   SINGLE      
LIG   B7'   B8'   SINGLE      
LIG   B10'   C12'   SINGLE      
LIG   B10'   B13'   SINGLE      
LIG   B11'   C12'   SINGLE      
LIG   B11'   B13'   SINGLE      
LIG   B11'   B8'   SINGLE      
LIG   C12'   B13'   SINGLE      
LIG   C12'   B8'   SINGLE      
