# MSI CERIUS2 DataModel File Version 1 0
(1 Model
 (A C Label "phenoxy")
 (2 Atom
  (A I ACL "6 C")
  (A I Hybridization 2)
  (A D XYZ (-2.0996722110423729 -0.91962405472057107 -0.46911480142682571))
  (A C Label "C")
 )
 (3 Atom
  (A I ACL "6 C")
  (A I Hybridization 2)
  (A D XYZ (-1.4567583284119587 -2.1413089268075041 -0.75248609948794964))
  (A C Label "C")
 )
 (4 Bond
  (A O Atom1 3)
  (A O Atom2 2)
 )
 (5 Atom
  (A I ACL "6 C")
  (A I Hybridization 2)
  (A D XYZ (-0.056713249791530716 -2.2440136484158879 -0.6430640703362337))
  (A C Label "C")
 )
 (6 Bond
  (A I Type 2)
  (A O Atom1 5)
  (A O Atom2 3)
 )
 (7 Atom
  (A I ACL "6 C")
  (A I Hybridization 2)
  (A D XYZ (0.70273697848528083 -1.1256591633346922 -0.2502162053744133))
  (A C Label "C")
 )
 (8 Bond
  (A O Atom1 7)
  (A O Atom2 5)
 )
 (9 Atom
  (A I ACL "6 C")
  (A I Hybridization 2)
  (A D XYZ (0.06208349799026161 0.095324835766988081 0.033155602204939072))
  (A C Label "C")
 )
 (10 Bond
  (A I Type 2)
  (A O Atom1 9)
  (A O Atom2 7)
 )
 (11 Atom
  (A I ACL "6 C")
  (A I Hybridization 2)
  (A D XYZ (-1.3379162287856508 0.19839307282899515 -0.076171992777599631))
  (A C Label "C")
 )
 (12 Bond
  (A O Atom1 11)
  (A O Atom2 9)
 )
 (13 Bond
  (A I Type 2)
  (A O Atom1 2)
  (A O Atom2 11)
 )
 (14 Atom
  (A I ACL "8 O")
  (A I Hybridization 2)
  (A D XYZ (-3.4445400769817329 -0.81654365005040441 -0.57283987582170637))
  (A C Label "O")
 )
 (15 Bond
  (A O Atom1 14)
  (A O Atom2 2)
 )
 (16 Atom
  (A I ACL "1 H")
  (A I Hybridization 0)
  (A D XYZ (-2.0047352936510943 -2.9560314115595969 -1.0381347226627398))
  (A C Label "H")
 )
 (17 Bond
  (A O Atom1 16)
  (A O Atom2 3)
 )
 (18 Atom
  (A I ACL "1 H")
  (A I Hybridization 0)
  (A D XYZ (0.40867667109905487 -3.1308970164183947 -0.84889876955027932))
  (A C Label "H")
 )
 (19 Bond
  (A O Atom1 18)
  (A O Atom2 5)
 )
 (20 Atom
  (A I ACL "1 H")
  (A I Hybridization 0)
  (A D XYZ (1.7193957463741123 -1.2006494335923239 -0.17084503248882146))
  (A C Label "H")
 )
 (21 Bond
  (A O Atom1 20)
  (A O Atom2 7)
 )
 (22 Atom
  (A I ACL "1 H")
  (A I Hybridization 0)
  (A D XYZ (0.61381719838583904 0.90735763570564076 0.3184345910782404))
  (A C Label "H")
 )
 (23 Bond
  (A O Atom1 22)
  (A O Atom2 9)
 )
 (24 Atom
  (A I ACL "1 H")
  (A I Hybridization 0)
  (A D XYZ (-1.7994168543965394 1.0870434992140403 0.13055004893641523))
  (A C Label "H")
 )
 (25 Bond
  (A O Atom1 24)
  (A O Atom2 11)
 )
 (26 Atom
  (A I ACL "108 X")
  (A I Hybridization 0)
  (A D XYZ (-3.9811740011826098 -1.5900894374362888 -0.84553070730216173))
  (A C Label "X")
 )
 (27 Bond
  (A O Atom1 26)
  (A O Atom2 14)
 )
)
