# MSI CERIUS2 DataModel File Version 1 0
(1 Model
 (A C Label acetyl)
 (2 Atom
  (A I ACL "6 C")
  (A D XYZ (-2.3128 1.0438 0.455))
  (A C Label C1)
 )
 (3 Atom
  (A I ACL "108 X")
  (A D XYZ (-2.2908 0.6498 1.364))
  (A C Label X2)
 )
 (4 Atom
  (A I ACL "8 O")
  (A D XYZ (-2.59879 2.2268 0.334))
  (A C Label O3)
 )
 (5 Atom
  (A I ACL "6 C")
  (A D XYZ (-2.0168 0.2278 -0.69))
  (A C Label C4)
 )
 (6 Atom
  (A I ACL "1 H")
  (A D XYZ (-2.8738 0.1978 -1.364))
  (A C Label H5)
 )
 (7 Atom
  (A I ACL "1 H")
  (A D XYZ (-1.78879 -0.7902 -0.371))
  (A C Label H6)
 )
 (8 Atom
  (A I ACL "1 H")
  (A D XYZ (-1.1528 0.6268 -1.223))
  (A C Label H7)
 )
 (9 Bond
  (A I Type 2)
  (A O Atom1 2)
  (A O Atom2 4)
 )
 (10 Bond
  (A O Atom1 2)
  (A O Atom2 5)
 )
 (11 Bond
  (A O Atom1 2)
  (A O Atom2 3)
 )
 (12 Bond
  (A O Atom1 5)
  (A O Atom2 8)
 )
 (13 Bond
  (A O Atom1 5)
  (A O Atom2 7)
 )
 (14 Bond
  (A O Atom1 5)
  (A O Atom2 6)
 )
)
