data_comp_1553055_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     0.971125   11.8286   3.69976   
LIG   C8   C8   C     0.0857405   12.6694   4.66391   
LIG   B1   B1   B     0.810679   10.1182   4.28605   
LIG   B3   B3   B     0.0990549   10.9953   2.67881   
LIG   B5   B5   B     -0.706068   9.44038   5.11421   
LIG   B6   B6   B     0.363209   10.3682   6.08435   
LIG   B7   B7   B     1.26468   11.6162   5.32594   
LIG   B12   B12   B     -0.166711   12.041   6.14501   
LIG   B4   B4   B     -0.833918   9.71482   3.37696   
LIG   B9   B9   B     -1.67018   11.1957   3.00277   
LIG   B10   B10   B     -2.02149   10.432   4.50319   
LIG   B11   B11   B     -1.35359   10.7835   6.05441   
LIG   B13   B13   B     -1.4746   12.1329   4.80918   
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   C8   SINGLE      
LIG   C2   B1   SINGLE      
LIG   C2   B3   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C8   B7   SINGLE      
LIG   C8   B12   SINGLE      
LIG   C8   B13   SINGLE      
LIG   B1   B3   SINGLE      
LIG   B1   B5   SINGLE      
LIG   B1   B6   SINGLE      
LIG   B1   B7   SINGLE      
LIG   B1   B4   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B9   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B4   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B5   B11   SINGLE      
LIG   B6   B7   SINGLE      
LIG   B6   B12   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   B12   SINGLE      
LIG   B12   B11   SINGLE      
LIG   B12   B13   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B4   B10   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B13   SINGLE      
LIG   B11   B13   SINGLE      
