data_comp_carborone_4114523_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   B2   B2   B     1.68632   0.867413   3.71487   
LIG   B3   B3   B     1.55572   0.00420564   2.08728   
LIG   B6   B6   B     3.323   0.360634   4.40708   
LIG   B9   B9   B     2.96833   0.692879   1.05607   
LIG   C10   C10   C     4.28437   0.267058   1.95967   
LIG   C11   C11   C     4.43963   0.843231   3.33681   
LIG   B1'   B1'   B     4.36774   4.80705   5.84883   
LIG   B2'   B2'   B     4.84143   3.53589   4.72265   
LIG   B3'   B3'   B     4.92591   5.32119   4.24024   
LIG   B4'   B4'   B     3.53449   6.10449   4.93067   
LIG   B5'   B5'   B     2.6139   5.00261   5.92817   
LIG   B6'   B6'   B     3.30754   3.36556   5.74517   
LIG   B9'   B9'   B     3.39517   5.61768   3.21559   
LIG   C10'   C10'   C     2.18723   5.24654   4.28248   
LIG   C11'   C11'   C     2.07249   3.83134   4.81832   
LIG   B1   B1   B     2.29405   -0.7833   3.48945   
LIG   B4   B4   B     3.02718   -0.900007   1.853   
LIG   B5   B5   B     4.04721   -0.806431   3.27824   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   B2   B3   SINGLE      
LIG   B2   B6   SINGLE      
LIG   B2   B1   SINGLE      
LIG   B3   B9   SINGLE      
LIG   B3   B1   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B6   C11   SINGLE      
LIG   B6   B1   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B9   C10   SINGLE      
LIG   B9   B4   SINGLE      
LIG   C10   C11   SINGLE      
LIG   C10   B4   SINGLE      
LIG   C10   B5   SINGLE      
LIG   C11   B5   SINGLE      
LIG   B1'   B2'   SINGLE      
LIG   B1'   B3'   SINGLE      
LIG   B1'   B4'   SINGLE      
LIG   B1'   B5'   SINGLE      
LIG   B1'   B6'   SINGLE      
LIG   B2'   B3'   SINGLE      
LIG   B2'   B6'   SINGLE      
LIG   B3'   B4'   SINGLE      
LIG   B3'   B9'   SINGLE      
LIG   B4'   B5'   SINGLE      
LIG   B4'   B9'   SINGLE      
LIG   B4'   C10'   SINGLE      
LIG   B5'   B6'   SINGLE      
LIG   B5'   C10'   SINGLE      
LIG   B5'   C11'   SINGLE      
LIG   B6'   C11'   SINGLE      
LIG   B9'   C10'   SINGLE      
LIG   C10'   C11'   SINGLE      
LIG   B1   B4   SINGLE      
LIG   B1   B5   SINGLE      
LIG   B4   B5   SINGLE      
