# MSI CERIUS2 DataModel File Version 1 0
(1 Model
 (A C Label carboxy)
 (2 Atom
  (A I ACL "6 C")
  (A D XYZ (1.3734 -1.14998 -0.75114))
  (A C Label C1)
 )
 (3 Atom
  (A I ACL "8 O")
  (A D XYZ (0.30286 -0.58583 -0.42944))
  (A C Label O2)
 )
 (4 Atom
  (A I ACL "8 O")
  (A D XYZ (2.53998 -0.50844 -0.51359))
  (A C Label O3)
 )
 (5 Atom
  (A I ACL "1 H")
  (A D XYZ (2.53979 0.37811 -0.09496))
  (A C Label H4)
 )
 (6 Atom
  (A I ACL "108 X")
  (A D XYZ (1.36436 -2.48194 -1.38692))
  (A C Label X5)
 )
 (7 Bond
  (A O Atom1 2)
  (A O Atom2 4)
 )
 (8 Bond
  (A I Type 2)
  (A O Atom1 2)
  (A O Atom2 3)
 )
 (9 Bond
  (A O Atom1 2)
  (A O Atom2 6)
 )
 (10 Bond
  (A O Atom1 4)
  (A O Atom2 5)
 )
)
