data_comp_carborone_4076334_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   Co3   Co3   Co    1.24014   4.10062   8.79041   
LIG   C11   C11   C     0.975422   2.08217   8.95989   
LIG   C12   C12   C     1.08589   2.84434   10.39   
LIG   B14   B14   B     2.26244   2.48129   7.92436   
LIG   B15   B15   B     2.17617   0.902721   8.77915   
LIG   B16   B16   B     1.38047   1.14366   10.3386   
LIG   B17   B17   B     2.46044   3.84945   10.4695   
LIG   B18   B18   B     3.31753   3.60286   8.87462   
LIG   B19   B19   B     3.68031   1.82735   8.77475   
LIG   B110   B110   B     3.14359   1.01898   10.2623   
LIG   B111   B111   B     2.37541   2.24451   11.2939   
LIG   B112   B112   B     3.80515   2.67506   10.3502   
LIG   C22   C22   C     -0.0476475   4.36375   7.22111   
LIG   B24   B24   B     0.105933   5.65321   9.65317   
LIG   B27   B27   B     1.36329   5.30998   7.09066   
LIG   B28   B28   B     1.47206   6.22876   8.64453   
LIG   B29   B29   B     -0.0539556   7.19154   8.77799   
LIG   B211   B211   B     -0.19143   5.7661   6.28128   
LIG   B212   B212   B     0.725519   6.98023   7.18705   
LIG   C21   C21   C     -0.751731   4.55543   8.66051   
LIG   B25   B25   B     -1.43699   6.09158   8.83291   
LIG   B26   B26   B     -1.54059   5.23802   7.28692   
LIG   B210   B210   B     -1.04552   6.93444   7.32237   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Co3   C11   SINGLE      
LIG   Co3   C12   SINGLE      
LIG   Co3   B14   SINGLE      
LIG   Co3   B17   SINGLE      
LIG   Co3   B18   SINGLE      
LIG   Co3   C22   SINGLE      
LIG   Co3   B24   SINGLE      
LIG   Co3   B27   SINGLE      
LIG   Co3   B28   SINGLE      
LIG   Co3   C21   SINGLE      
LIG   C11   C12   SINGLE      
LIG   C11   B14   SINGLE      
LIG   C11   B15   SINGLE      
LIG   C11   B16   SINGLE      
LIG   C12   B16   SINGLE      
LIG   C12   B17   SINGLE      
LIG   C12   B111   SINGLE      
LIG   B14   B15   SINGLE      
LIG   B14   B18   SINGLE      
LIG   B14   B19   SINGLE      
LIG   B15   B16   SINGLE      
LIG   B15   B19   SINGLE      
LIG   B15   B110   SINGLE      
LIG   B16   B110   SINGLE      
LIG   B16   B111   SINGLE      
LIG   B17   B18   SINGLE      
LIG   B17   B111   SINGLE      
LIG   B17   B112   SINGLE      
LIG   B18   B19   SINGLE      
LIG   B18   B112   SINGLE      
LIG   B19   B110   SINGLE      
LIG   B19   B112   SINGLE      
LIG   B110   B111   SINGLE      
LIG   B110   B112   SINGLE      
LIG   B111   B112   SINGLE      
LIG   C22   B27   SINGLE      
LIG   C22   B211   SINGLE      
LIG   C22   C21   SINGLE      
LIG   C22   B26   SINGLE      
LIG   B24   B28   SINGLE      
LIG   B24   B29   SINGLE      
LIG   B24   C21   SINGLE      
LIG   B24   B25   SINGLE      
LIG   B27   B28   SINGLE      
LIG   B27   B211   SINGLE      
LIG   B27   B212   SINGLE      
LIG   B28   B29   SINGLE      
LIG   B28   B212   SINGLE      
LIG   B29   B212   SINGLE      
LIG   B29   B25   SINGLE      
LIG   B29   B210   SINGLE      
LIG   B211   B212   SINGLE      
LIG   B211   B26   SINGLE      
LIG   B211   B210   SINGLE      
LIG   B212   B210   SINGLE      
LIG   C21   B25   SINGLE      
LIG   C21   B26   SINGLE      
LIG   B25   B26   SINGLE      
LIG   B25   B210   SINGLE      
LIG   B26   B210   SINGLE      
