# MSI CERIUS2 DataModel File Version 1 0
(1 Model
 (A C Label "carboxylate")
 (2 Atom
  (A I ACL "6 C")
  (A I Hybridization 2)
  (A D XYZ (-0.42904520782614075 0.29820225774557491 -0.30284667826306544))
  (A C Label "C")
 )
 (3 Atom
  (A I ACL "8 O")
  (A I Hybridization 2)
  (A D XYZ (-1.6129720782628345 -0.095778324256455452 -0.22655102686878856))
  (A C Label "O")
 )
 (4 Bond
  (A I Type 2)
  (A O Atom1 3)
  (A O Atom2 2)
 )
 (5 Atom
  (A I ACL "8 O")
  (A I Hybridization 2)
  (A F Occupancy 0)
  (A D XYZ (0.54781386993574577 -0.35273701505269406 0.36513593029094715))
  (A C Label "O")
 )
 (6 Bond
  (A O Atom1 5)
  (A O Atom2 2)
 )
 (10 Bond
  (A O Atom1 9)
  (A O Atom2 2)
 )
 (9 Atom
  (A I ACL "108 X")
  (A D XYZ (-0.20010322977541306 1.1136448843295688 -0.87122913938403512))
  (A C Label "X")
 )
)
