data_comp_carborone_7027855_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   Pt1   Pt9'   Pt    -7.52052   10.6256   3.94892   
LIG   B26   B1   B     -10.8235   10.4633   3.93107   
LIG   B25   B2   B     -9.45156   9.46291   3.63347   
LIG   B24   B3   B     -10.7007   8.92225   4.85786   
LIG   B23   B4   B     -12.3093   9.62224   4.41572   
LIG   B22   B5   B     -10.3877   10.1433   2.30422   
LIG   B21   B6   B     -9.5804   8.57226   2.15401   
LIG   B20   B8   B     -12.1141   7.89969   4.42422   
LIG   B19   B9   B     -13.0449   8.71199   3.16866   
LIG   B18   B10   B     -12.1198   10.1903   2.70952   
LIG   B17   B1'   B     -8.18522   8.72766   1.1592   
LIG   B16   B2'   B     -9.69088   9.66142   0.785079   
LIG   B15   B3'   B     -7.04183   9.89649   1.89609   
LIG   B14   B4'   B     -7.98189   8.72636   2.94476   
LIG   B13   B6'   B     -8.08428   10.415   0.549839   
LIG   B12   B10'   B     -7.71748   11.5146   1.86208   
LIG   B11   B11'   B     -9.41972   11.3513   1.2839   
LIG   B10   B1   B     -6.84411   12.3556   6.83047   
LIG   B9   B2   B     -8.0105   11.3174   6.00855   
LIG   B8   B3   B     -6.98109   12.4797   5.07042   
LIG   B7   B4   B     -5.36481   12.5489   5.85834   
LIG   B6   B5   B     -5.41353   11.3409   7.15924   
LIG   B5   B6   B     -7.03606   10.684   7.35197   
LIG   B4   B8   B     -5.55671   11.7627   4.31085   
LIG   B3   B9   B     -4.61187   10.9556   5.65711   
LIG   B2   B10   B     -5.73639   9.69537   6.65192   
LIG   B1   B11   B     -7.44401   9.65097   6.00572   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Pt1   B25   SINGLE      
LIG   Pt1   B15   SINGLE      
LIG   Pt1   B14   SINGLE      
LIG   Pt1   B12   SINGLE      
LIG   Pt1   B9   SINGLE      
LIG   Pt1   B8   SINGLE      
LIG   Pt1   B4   SINGLE      
LIG   Pt1   B1   SINGLE      
LIG   B26   B25   SINGLE      
LIG   B26   B24   SINGLE      
LIG   B26   B23   SINGLE      
LIG   B26   B22   SINGLE      
LIG   B26   B18   SINGLE      
LIG   B25   B24   SINGLE      
LIG   B25   B22   SINGLE      
LIG   B25   B21   SINGLE      
LIG   B25   B14   SINGLE      
LIG   B24   B23   SINGLE      
LIG   B24   B20   SINGLE      
LIG   B23   B20   SINGLE      
LIG   B23   B19   SINGLE      
LIG   B23   B18   SINGLE      
LIG   B22   B21   SINGLE      
LIG   B22   B18   SINGLE      
LIG   B22   B16   SINGLE      
LIG   B22   B11   SINGLE      
LIG   B21   B17   SINGLE      
LIG   B21   B16   SINGLE      
LIG   B21   B14   SINGLE      
LIG   B20   B19   SINGLE      
LIG   B19   B18   SINGLE      
LIG   B17   B16   SINGLE      
LIG   B17   B15   SINGLE      
LIG   B17   B14   SINGLE      
LIG   B17   B13   SINGLE      
LIG   B16   B13   SINGLE      
LIG   B16   B11   SINGLE      
LIG   B15   B14   SINGLE      
LIG   B15   B13   SINGLE      
LIG   B15   B12   SINGLE      
LIG   B13   B12   SINGLE      
LIG   B13   B11   SINGLE      
LIG   B12   B11   SINGLE      
LIG   B10   B9   SINGLE      
LIG   B10   B8   SINGLE      
LIG   B10   B7   SINGLE      
LIG   B10   B6   SINGLE      
LIG   B10   B5   SINGLE      
LIG   B9   B8   SINGLE      
LIG   B9   B5   SINGLE      
LIG   B9   B1   SINGLE      
LIG   B8   B7   SINGLE      
LIG   B8   B4   SINGLE      
LIG   B7   B6   SINGLE      
LIG   B7   B4   SINGLE      
LIG   B7   B3   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   B3   SINGLE      
LIG   B6   B2   SINGLE      
LIG   B5   B2   SINGLE      
LIG   B5   B1   SINGLE      
LIG   B4   B3   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B2   B1   SINGLE      
