data_comp_carborone_4101761_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     1.3205   6.96512   3.95117   
LIG   B3   B3   B     2.25114   8.15645   3.20019   
LIG   B4   B4   B     3.13581   7.7767   1.69789   
LIG   B5   B5   B     2.93688   6.17894   0.9716   
LIG   B6   B6   B     1.8533   4.99268   1.73958   
LIG   B7   B7   B     1.01062   5.43213   3.2563   
LIG   B8   B8   B     2.92089   7.15817   4.51008   
LIG   C9   C9   C     3.84554   7.59762   3.22263   
LIG   B10   B10   B     4.30836   6.51043   2.06024   
LIG   B11   B11   B     3.59663   4.91775   2.04421   
LIG   B12   B12   B     2.46606   4.47576   3.29318   
LIG   B13   B13   B     2.19217   5.6201   4.55177   
LIG   B14   B14   B     3.84454   5.7052   3.69721   
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   B3   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C2   B8   SINGLE      
LIG   C2   B13   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3   C9   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   C9   SINGLE      
LIG   B4   B10   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B5   B11   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B6   B12   SINGLE      
LIG   B7   B12   SINGLE      
LIG   B7   B13   SINGLE      
LIG   B8   C9   SINGLE      
LIG   B8   B13   SINGLE      
LIG   B8   B14   SINGLE      
LIG   C9   B10   SINGLE      
LIG   C9   B14   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B14   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B11   B14   SINGLE      
LIG   B12   B13   SINGLE      
LIG   B12   B14   SINGLE      
LIG   B13   B14   SINGLE      
