data_comp_carborone_4077149_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   Ru1   Ru1   Ru    3.69807   2.96624   4.30471   
LIG   C2   C2   C     2.94049   3.87695   2.54643   
LIG   C3   C3   C     3.71475   0.976951   3.79864   
LIG   C4   C4   C     1.92008   2.78987   2.55728   
LIG   B5   B5   B     4.34442   3.26814   2.0671   
LIG   B6   B6   B     4.78891   1.60931   2.79057   
LIG   B7   B7   B     2.22012   1.25588   3.3386   
LIG   B8   B8   B     2.85543   3.027   1.07625   
LIG   B9   B9   B     3.48341   0.44881   2.25994   
LIG   B10   B10   B     2.23618   1.46092   1.53836   
LIG   B11   B11   B     4.00655   1.73974   1.16853   
LIG   C2'   C2'   C     3.13761   2.42718   6.2731   
LIG   C3'   C3'   C     4.86008   4.63865   4.61164   
LIG   C4'   C4'   C     2.85292   3.88128   6.4649   
LIG   B5'   B5'   B     4.72556   2.19638   6.27758   
LIG   B6'   B6'   B     5.70289   3.45846   5.30997   
LIG   B7'   B7'   B     3.64413   5.11567   5.51555   
LIG   B8'   B8'   B     3.92575   3.08477   7.62862   
LIG   B9'   B9'   B     5.39686   5.0606   6.11178   
LIG   B10'   B10'   B     4.08432   4.77994   7.2321   
LIG   B11'   B11'   B     5.48127   3.60769   7.09488   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Ru1   C2   SINGLE      
LIG   Ru1   C3   SINGLE      
LIG   Ru1   C4   SINGLE      
LIG   Ru1   B5   SINGLE      
LIG   Ru1   B6   SINGLE      
LIG   Ru1   B7   SINGLE      
LIG   Ru1   C2'   SINGLE      
LIG   Ru1   C3'   SINGLE      
LIG   Ru1   C4'   SINGLE      
LIG   Ru1   B5'   SINGLE      
LIG   Ru1   B6'   SINGLE      
LIG   Ru1   B7'   SINGLE      
LIG   C2   C4   SINGLE      
LIG   C2   B5   SINGLE      
LIG   C2   B8   SINGLE      
LIG   C3   B6   SINGLE      
LIG   C3   B7   SINGLE      
LIG   C3   B9   SINGLE      
LIG   C4   B7   SINGLE      
LIG   C4   B8   SINGLE      
LIG   C4   B10   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B8   SINGLE      
LIG   B5   B11   SINGLE      
LIG   B6   B9   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   B9   SINGLE      
LIG   B7   B10   SINGLE      
LIG   B8   B10   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B11   SINGLE      
LIG   B10   B11   SINGLE      
LIG   C2'   C4'   SINGLE      
LIG   C2'   B5'   SINGLE      
LIG   C2'   B8'   SINGLE      
LIG   C3'   B6'   SINGLE      
LIG   C3'   B7'   SINGLE      
LIG   C3'   B9'   SINGLE      
LIG   C4'   B7'   SINGLE      
LIG   C4'   B8'   SINGLE      
LIG   C4'   B10'   SINGLE      
LIG   B5'   B6'   SINGLE      
LIG   B5'   B8'   SINGLE      
LIG   B5'   B11'   SINGLE      
LIG   B6'   B9'   SINGLE      
LIG   B6'   B11'   SINGLE      
LIG   B7'   B9'   SINGLE      
LIG   B7'   B10'   SINGLE      
LIG   B8'   B10'   SINGLE      
LIG   B8'   B11'   SINGLE      
LIG   B9'   B10'   SINGLE      
LIG   B9'   B11'   SINGLE      
LIG   B10'   B11'   SINGLE      
