data_comp_4112151_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   C7   C7   C     5.19444   -0.250137   1.94706   
LIG   B3   B3   B     4.08354   -0.885907   4.5799   
LIG   B4   B4   B     2.3892   -0.938039   5.15459   
LIG   B7   B7   B     4.0558   -0.975108   2.81667   
LIG   B8   B8   B     2.80283   -0.0386619   3.67864   
LIG   B9   B9   B     1.3263   -1.058   3.73778   
LIG   C1   C1   C     3.35309   -2.35065   5.06378   
LIG   B2   B2   B     4.43754   -2.42866   3.74056   
LIG   B5   B5   B     1.69639   -2.5182   4.68292   
LIG   B6   B6   B     2.95974   -3.43491   3.80388   
LIG   B10   B10   B     1.67385   -2.60762   2.91108   
LIG   B11   B11   B     3.36791   -2.54607   2.32279   
LIG   B12   B12   B     2.35421   -1.07275   2.28127   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C7   B7   SINGLE      
LIG   B3   B4   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B3   C1   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B4   C1   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B2   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   B12   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B12   SINGLE      
LIG   B9   B5   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B12   SINGLE      
LIG   C1   B2   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   B6   SINGLE      
LIG   B2   B6   SINGLE      
LIG   B2   B11   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B11   B12   SINGLE      
