data_comp_carborone_4075824_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   C2   C2   C     0.720504   2.99486   21.113   
LIG   C3   C3   C     2.25127   3.42582   20.8364   
LIG   B4   B4   B     2.34638   4.49824   19.5221   
LIG   C5   C5   C     0.732078   4.76437   19.138   
LIG   B6   B6   B     -0.3279   3.7535   20.0006   
LIG   B7   B7   B     1.46892   4.07324   22.2348   
LIG   B8   B8   B     2.51496   5.07418   21.2218   
LIG   B9   B9   B     1.49039   5.96688   20.1077   
LIG   B10   B10   B     -0.188269   5.49421   20.4001   
LIG   B11   B11   B     -0.196919   4.31057   21.7088   
LIG   B12   B12   B     0.935627   5.67593   21.7576   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C2   C3   SINGLE      
LIG   C2   B6   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C2   B11   SINGLE      
LIG   C3   B4   SINGLE      
LIG   C3   B7   SINGLE      
LIG   C3   B8   SINGLE      
LIG   B4   C5   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   C5   B6   SINGLE      
LIG   C5   B9   SINGLE      
LIG   C5   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      
