data_comp_carborone_4132131_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   C75   C1   C     9.29962   4.95065   5.88352   
LIG   C74   C2   C     9.36635   2.8245   4.19133   
LIG   B22   B3   B     8.03713   4.17273   4.86378   
LIG   B21   B4   B     7.95509   4.5918   6.72962   
LIG   B20   B5   B     9.63662   4.16412   7.20629   
LIG   B19   B6   B     10.2618   3.53389   5.446   
LIG   B18   B7   B     7.94354   2.24418   4.76844   
LIG   B17   B8   B     7.1608   3.14473   6.07078   
LIG   B16   B9   B     8.25872   3.05886   7.52464   
LIG   B15   B10   B     9.81401   2.4122   6.88794   
LIG   B14   B11   B     9.58336   1.67556   5.25363   
LIG   B13   B12   B     8.23208   1.71513   6.40956   
LIG   C52   C1   C     5.1277   -2.73352   11.1406   
LIG   C51   C2   C     5.06097   -0.607365   12.8327   
LIG   B11   B3   B     6.39019   -1.95559   12.1603   
LIG   B10   B4   B     6.47222   -2.37467   10.2945   
LIG   B9   B5   B     4.7907   -1.94699   9.81778   
LIG   B8   B6   B     4.16552   -1.31675   11.5781   
LIG   B7   B7   B     6.48377   -0.0270468   12.2556   
LIG   B6   B8   B     7.26652   -0.927598   10.9533   
LIG   B5   B9   B     6.1686   -0.841729   9.49943   
LIG   B4   B10   B     4.61331   -0.195066   10.1361   
LIG   B3   B11   B     4.84395   0.54157   11.7704   
LIG   B2   B12   B     6.19524   0.501999   10.6145   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C75   B22   SINGLE      
LIG   C75   B21   SINGLE      
LIG   C75   B20   SINGLE      
LIG   C75   B19   SINGLE      
LIG   C74   B22   SINGLE      
LIG   C74   B19   SINGLE      
LIG   C74   B18   SINGLE      
LIG   C74   B14   SINGLE      
LIG   B22   B21   SINGLE      
LIG   B22   B18   SINGLE      
LIG   B22   B17   SINGLE      
LIG   B21   B20   SINGLE      
LIG   B21   B17   SINGLE      
LIG   B21   B16   SINGLE      
LIG   B20   B19   SINGLE      
LIG   B20   B16   SINGLE      
LIG   B20   B15   SINGLE      
LIG   B19   B15   SINGLE      
LIG   B19   B14   SINGLE      
LIG   B18   B17   SINGLE      
LIG   B18   B14   SINGLE      
LIG   B18   B13   SINGLE      
LIG   B17   B16   SINGLE      
LIG   B17   B13   SINGLE      
LIG   B16   B15   SINGLE      
LIG   B16   B13   SINGLE      
LIG   B15   B14   SINGLE      
LIG   B15   B13   SINGLE      
LIG   B14   B13   SINGLE      
LIG   C52   B11   SINGLE      
LIG   C52   B10   SINGLE      
LIG   C52   B9   SINGLE      
LIG   C52   B8   SINGLE      
LIG   C51   B11   SINGLE      
LIG   C51   B8   SINGLE      
LIG   C51   B7   SINGLE      
LIG   C51   B3   SINGLE      
LIG   B11   B10   SINGLE      
LIG   B11   B7   SINGLE      
LIG   B11   B6   SINGLE      
LIG   B10   B9   SINGLE      
LIG   B10   B6   SINGLE      
LIG   B10   B5   SINGLE      
LIG   B9   B8   SINGLE      
LIG   B9   B5   SINGLE      
LIG   B9   B4   SINGLE      
LIG   B8   B4   SINGLE      
LIG   B8   B3   SINGLE      
LIG   B7   B6   SINGLE      
LIG   B7   B3   SINGLE      
LIG   B7   B2   SINGLE      
LIG   B6   B5   SINGLE      
LIG   B6   B2   SINGLE      
LIG   B5   B4   SINGLE      
LIG   B5   B2   SINGLE      
LIG   B4   B3   SINGLE      
LIG   B4   B2   SINGLE      
LIG   B3   B2   SINGLE      
