# MSI CERIUS2 DataModel File Version 1 0
(1 Model
 (A C Label CO-ligand)
 (2 Atom
  (A I ACL "8 O")
  (A D XYZ (-0.77587 1.05888 -0.00037))
  (A C Label O1)
 )
 (3 Atom
  (A I ACL "6 C")
  (A D XYZ (0.52258 0.99645 -3E-05))
  (A C Label C2)
 )
 (4 Atom
  (A I ACL "108 X")
  (A D XYZ (1.47182 0.9572 0.00042))
  (A C Label X3)
 )
 (5 Bond
  (A I Type 4)
  (A O Atom1 2)
  (A O Atom2 3)
 )
 (6 Bond
  (A O Atom1 3)
  (A O Atom2 4)
 )
)
