data_comp_carborone_4067756_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     7.87786   11.1582   4.09387   
LIG   C2'   C2'   C     7.71978   12.8801   3.64694   
LIG   B4'   B4'   B     8.6055   10.1925   2.86133   
LIG   B5'   B5'   B     6.84136   10.2336   3.09908   
LIG   B6'   B6'   B     6.35161   11.8418   3.63173   
LIG   B7'   B7'   B     8.43539   13.076   2.07677   
LIG   B8'   B8'   B     9.01786   11.3829   1.54147   
LIG   B9'   B9'   B     7.52415   10.3742   1.47386   
LIG   B10'   B10'   B     6.12134   11.3527   1.93256   
LIG   B11'   B11'   B     6.66205   12.9799   2.32986   
LIG   B12'   B12'   B     7.44753   12.0923   1.0059   
LIG   C1   C1   C     13.5051   10.8484   5.25602   
LIG   B3   B3   B     13.9652   10.9819   3.55817   
LIG   B4   B4   B     14.2418   9.50099   4.52478   
LIG   B5   B5   B     12.8984   9.27573   5.62554   
LIG   B6   B6   B     11.7991   10.6475   5.39361   
LIG   B7   B7   B     12.5439   10.6825   2.4664   
LIG   C8   C8   C     13.5967   9.41203   2.95407   
LIG   B9   B9   B     12.9507   8.34467   4.14374   
LIG   B10   B10   B     11.4232   9.07226   4.65351   
LIG   B11   B11   B     11.1681   10.508   3.63543   
LIG   B12   B12   B     11.9019   9.08405   2.92139   
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'   C2'   SINGLE      
LIG   C1'   B4'   SINGLE      
LIG   C1'   B5'   SINGLE      
LIG   C1'   B6'   SINGLE      
LIG   C2'   B6'   SINGLE      
LIG   C2'   B7'   SINGLE      
LIG   C2'   B11'   SINGLE      
LIG   B4'   B5'   SINGLE      
LIG   B4'   B8'   SINGLE      
LIG   B4'   B9'   SINGLE      
LIG   B5'   B6'   SINGLE      
LIG   B5'   B9'   SINGLE      
LIG   B5'   B10'   SINGLE      
LIG   B6'   B10'   SINGLE      
LIG   B6'   B11'   SINGLE      
LIG   B7'   B8'   SINGLE      
LIG   B7'   B11'   SINGLE      
LIG   B7'   B12'   SINGLE      
LIG   B8'   B9'   SINGLE      
LIG   B8'   B12'   SINGLE      
LIG   B9'   B10'   SINGLE      
LIG   B9'   B12'   SINGLE      
LIG   B10'   B11'   SINGLE      
LIG   B10'   B12'   SINGLE      
LIG   B11'   B12'   SINGLE      
LIG   C1   B3   SINGLE      
LIG   C1   B4   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   B6   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   C8   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   C8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   C8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   B12   SINGLE      
LIG   C8   B9   SINGLE      
LIG   C8   B12   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B11   B12   SINGLE      
