# MSI CERIUS2 DataModel File Version 1 0
(1 Model
 (A C Label allyl)
 (2 Atom
  (A I ACL "6 C")
  (A D XYZ (1.112 0.728 0))
  (A C Label C1)
 )
 (3 Atom
  (A I ACL "6 C")
  (A D XYZ (1.56272 0.42253 1.28977))
  (A C Label C2)
 )
 (4 Atom
  (A I ACL "6 C")
  (A D XYZ (2.32364 -0.73171 1.51025))
  (A C Label C3)
 )
 (5 Atom
  (A I ACL "1 H")
  (A D XYZ (0.59633 1.51167 -0.14973))
  (A C Label H4)
 )
 (6 Atom
  (A I ACL "1 H")
  (A D XYZ (1.32191 0.1516 -0.72539))
  (A C Label H5)
 )
 (7 Atom
  (A I ACL "1 H")
  (A D XYZ (1.35246 0.99865 2.01529))
  (A C Label H6)
 )
 (8 Atom
  (A I ACL "1 H")
  (A D XYZ (2.62981 -0.93906 2.38536))
  (A C Label H7)
 )
 (9 Atom
  (A I ACL "1 H")
  (A D XYZ (2.53409 -1.30789 0.7848))
  (A C Label H8)
 )
 (10 Atom
  (A I ACL "118 Cp")
  (A D XYZ (1.75436 0.00469 0.7558))
  (A C Label Cp9)
 )
 (11 Atom
  (A I ACL "108 X")
  (A D XYZ (0.80379 -0.58876 0.97634))
  (A C Label X10)
 )
 (12 Bond
  (A I Type 8)
  (A O Atom1 2)
  (A O Atom2 3)
 )
 (13 Bond
  (A O Atom1 2)
  (A O Atom2 5)
 )
 (14 Bond
  (A O Atom1 2)
  (A O Atom2 6)
 )
 (15 Bond
  (A O Atom1 2)
  (A O Atom2 10)
 )
 (16 Bond
  (A I Type 8)
  (A O Atom1 3)
  (A O Atom2 4)
 )
 (17 Bond
  (A O Atom1 3)
  (A O Atom2 7)
 )
 (18 Bond
  (A O Atom1 3)
  (A O Atom2 10)
 )
 (19 Bond
  (A O Atom1 4)
  (A O Atom2 8)
 )
 (20 Bond
  (A O Atom1 4)
  (A O Atom2 9)
 )
 (21 Bond
  (A O Atom1 4)
  (A O Atom2 10)
 )
 (22 Bond
  (A O Atom1 10)
  (A O Atom2 11)
 )
)
