AMBER Archive (2004)

Subject: AMBER: ptraj

From: Holly Freedman (holly_at_mercury.hec.utah.edu)
Date: Tue May 25 2004 - 11:16:42 CDT


Hi,

I am running ptraj on a trajectory generated for CH3Cl in water and am
getting an error when trying to read the prmtop file, which I am attaching.
The error says

Read in info for bonds w/out hydrogen...

ERROR in readParm: ...failed to find ANGLES_INC_HYDROGEN

Does anyone know how to get around this bug?
Thanks in advance for your help. If anyone knows how to modify this
prmtop so that ptraj will read it, this would be so helpful to me.

--Holly Freedman
    University of Utah


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 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00
  7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
  7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00
  7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
  7.59869910E+00 7.59869910E+00
%FLAG MASS
%FORMAT(5E16.8)
  1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 3.54500000E+01
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
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  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
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  1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
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  1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
  1.00800000E+00 1.00800000E+00
%FLAG ATOM_TYPE_INDEX
%FORMAT(10I8)
       1 2 2 2 3 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5 4 5 5 4 5 5 4 5
       5 4 5 5 4 5 5 4 5 5
       4 5 5 4 5 5 4 5 5 4
       5 5
%FLAG NUMBER_EXCLUDED_ATOMS
%FORMAT(10I8)
       4 3 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1 2 1 1 2 1 1 2 1
       1 2 1 1 2 1 1 2 1 1
       2 1 1 2 1 1 2 1 1 2
       1 1
%FLAG NONBONDED_PARM_INDEX
%FORMAT(10I8)
       1 2 4 7 11 2 3 5 8 12
       4 5 6 9 13 7 8 9 10 -1
      11 12 13 -1 15
%FLAG RESIDUE_LABEL
%FORMAT(20a4)
MOL WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
%FLAG RESIDUE_POINTER
%FORMAT(10I8)
       1 6 9 12 15 18 21 24 27 30
      33 36 39 42 45 48 51 54 57 60
      63 66 69 72 75 78 81 84 87 90
      93 96 99 102 105 108 111 114 117 120
     123 126 129 132 135 138 141 144 147 150
     153 156 159 162 165 168 171 174 177 180
     183 186 189 192 195 198 201 204 207 210
     213 216 219 222 225 228 231 234 237 240
     243 246 249 252 255 258 261 264 267 270
     273 276 279 282 285 288 291 294 297 300
     303 306 309 312 315 318 321 324 327 330
     333 336 339 342 345 348 351 354 357 360
     363 366 369 372 375 378 381 384 387 390
     393 396 399 402 405 408 411 414 417 420
     423 426 429 432 435 438 441 444 447 450
     453 456 459 462 465 468 471 474 477 480
     483 486 489 492 495 498 501 504 507 510
     513 516 519 522 525 528 531 534 537 540
     543 546 549 552 555 558 561 564 567 570
     573 576 579 582 585 588 591 594 597 600
     603 606 609 612 615 618 621 624 627 630
     633 636 639 642 645 648 651 654 657 660
     663 666 669 672 675 678 681 684 687 690
     693 696 699 702 705 708 711 714 717 720
     723 726 729 732 735 738 741 744 747 750
     753 756 759 762 765 768 771 774 777 780
     783 786 789 792 795 798 801 804 807 810
     813 816 819 822 825 828 831 834 837 840
     843 846 849 852 855 858 861 864 867 870
     873 876 879 882 885 888 891 894 897 900
     903 906 909 912 915 918 921 924 927 930
     933 936 939 942 945 948 951 954 957 960
     963 966 969 972 975 978 981 984 987 990
     993 996 999 1002 1005 1008 1011 1014 1017 1020
    1023 1026 1029 1032 1035 1038 1041 1044 1047 1050
    1053 1056 1059 1062 1065 1068 1071 1074 1077 1080
    1083 1086 1089 1092 1095 1098 1101 1104 1107 1110
    1113 1116 1119 1122 1125 1128 1131 1134 1137 1140
    1143 1146 1149 1152 1155 1158 1161 1164 1167 1170
    1173 1176 1179 1182 1185 1188 1191 1194 1197 1200
    1203 1206 1209 1212 1215 1218 1221 1224 1227 1230
    1233 1236 1239 1242 1245 1248 1251 1254 1257 1260
    1263 1266 1269 1272 1275 1278 1281 1284 1287 1290
    1293 1296 1299 1302 1305 1308 1311 1314 1317 1320
    1323 1326 1329 1332 1335 1338 1341 1344 1347 1350
    1353 1356 1359 1362 1365 1368 1371 1374 1377 1380
    1383 1386 1389 1392 1395 1398 1401 1404 1407 1410
    1413 1416 1419 1422 1425 1428 1431 1434 1437 1440
    1443 1446 1449 1452 1455 1458 1461 1464 1467 1470
    1473 1476 1479 1482 1485 1488 1491 1494 1497 1500
    1503 1506 1509 1512 1515 1518 1521 1524 1527 1530
    1533 1536 1539 1542 1545 1548 1551 1554 1557 1560
    1563 1566 1569 1572 1575 1578 1581 1584 1587 1590
    1593 1596 1599 1602 1605 1608 1611 1614 1617 1620
    1623 1626 1629 1632 1635 1638 1641 1644 1647 1650
    1653 1656 1659 1662 1665 1668 1671 1674 1677 1680
    1683 1686 1689 1692 1695 1698 1701 1704 1707 1710
    1713 1716 1719 1722 1725 1728 1731 1734 1737 1740
    1743 1746 1749 1752 1755 1758 1761 1764 1767 1770
    1773 1776 1779 1782 1785 1788 1791 1794 1797 1800
    1803 1806 1809 1812 1815 1818 1821 1824 1827 1830
    1833 1836 1839 1842 1845 1848 1851 1854 1857 1860
    1863 1866 1869 1872 1875 1878 1881 1884 1887 1890
    1893 1896 1899 1902 1905 1908 1911 1914 1917 1920
    1923 1926 1929 1932 1935 1938 1941 1944 1947 1950
    1953 1956 1959 1962 1965 1968 1971 1974 1977 1980
    1983 1986 1989 1992 1995 1998 2001 2004 2007 2010
    2013 2016 2019 2022 2025 2028 2031 2034 2037 2040
%FLAG BOND_FORCE_CONSTANT
%FORMAT(5E16.8)
  3.40400000E+02 1.91500000E+02 5.53000000E+02 5.53000000E+02
%FLAG BOND_EQUIL_VALUE
%FORMAT(5E16.8)
  1.09000000E+00 1.80000000E+00 9.57200000E-01 1.51360000E+00
%FLAG ANGLE_FORCE_CONSTANT
%FORMAT(5E16.8)
  3.93000000E+01 4.02000000E+01
%FLAG ANGLE_EQUIL_VALUE
%FORMAT(5E16.8)
  1.91008915E+00 1.84132315E+00
%FLAG DIHEDRAL_FORCE_CONSTANT
%FORMAT(5E16.8)

%FLAG DIHEDRAL_PERIODICITY
%FORMAT(5E16.8)

%FLAG DIHEDRAL_PHASE
%FORMAT(5E16.8)

%FLAG SOLTY
%FORMAT(5E16.8)
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
%FLAG LENNARD_JONES_ACOEF
%FORMAT(5E16.8)
  8.69499914E+05 5.32886227E+04 6.50361213E+02 3.17609543E+06 3.54915530E+05
  8.99984848E+06 7.21222000E+05 3.59781094E+04 2.86236027E+06 5.81935564E+05
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
%FLAG LENNARD_JONES_BCOEF
%FORMAT(5E16.8)
  4.99720297E+02 1.89320343E+02 3.20070146E+01 7.14584362E+02 3.65558642E+02
  8.99992424E+02 5.48979954E+02 1.87641540E+02 8.18273845E+02 5.94825035E+02
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
%FLAG BONDS_INC_HYDROGEN
%FORMAT(10I8)
       0 3 1 0 6 1 0 9 1 18
      15 3 21 15 3 21 18 4 27 24
       3 30 24 3 30 27 4 36 33 3
      39 33 3 39 36 4 45 42 3 48
      42 3 48 45 4 54 51 3 57 51
       3 57 54 4 63 60 3 66 60 3
      66 63 4 72 69 3 75 69 3 75
      72 4 81 78 3 84 78 3 84 81
       4 90 87 3 93 87 3 93 90 4
      99 96 3 102 96 3 102 99 4 108
     105 3 111 105 3 111 108 4 117 114
       3 120 114 3 120 117 4 126 123 3
     129 123 3 129 126 4 135 132 3 138
     132 3 138 135 4 144 141 3 147 141
       3 147 144 4 153 150 3 156 150 3
     156 153 4 162 159 3 165 159 3 165
     162 4 171 168 3 174 168 3 174 171
       4 180 177 3 183 177 3 183 180 4
     189 186 3 192 186 3 192 189 4 198
     195 3 201 195 3 201 198 4 207 204
       3 210 204 3 210 207 4 216 213 3
     219 213 3 219 216 4 225 222 3 228
     222 3 228 225 4 234 231 3 237 231
       3 237 234 4 243 240 3 246 240 3
     246 243 4 252 249 3 255 249 3 255
     252 4 261 258 3 264 258 3 264 261
       4 270 267 3 273 267 3 273 270 4
     279 276 3 282 276 3 282 279 4 288
     285 3 291 285 3 291 288 4 297 294
       3 300 294 3 300 297 4 306 303 3
     309 303 3 309 306 4 315 312 3 318
     312 3 318 315 4 324 321 3 327 321
       3 327 324 4 333 330 3 336 330 3
     336 333 4 342 339 3 345 339 3 345
     342 4 351 348 3 354 348 3 354 351
       4 360 357 3 363 357 3 363 360 4
     369 366 3 372 366 3 372 369 4 378
     375 3 381 375 3 381 378 4 387 384
       3 390 384 3 390 387 4 396 393 3
     399 393 3 399 396 4 405 402 3 408
     402 3 408 405 4 414 411 3 417 411
       3 417 414 4 423 420 3 426 420 3
     426 423 4 432 429 3 435 429 3 435
     432 4 441 438 3 444 438 3 444 441
       4 450 447 3 453 447 3 453 450 4
     459 456 3 462 456 3 462 459 4 468
     465 3 471 465 3 471 468 4 477 474
       3 480 474 3 480 477 4 486 483 3
     489 483 3 489 486 4 495 492 3 498
     492 3 498 495 4 504 501 3 507 501
       3 507 504 4 513 510 3 516 510 3
     516 513 4 522 519 3 525 519 3 525
     522 4 531 528 3 534 528 3 534 531
       4 540 537 3 543 537 3 543 540 4
     549 546 3 552 546 3 552 549 4 558
     555 3 561 555 3 561 558 4 567 564
       3 570 564 3 570 567 4 576 573 3
     579 573 3 579 576 4 585 582 3 588
     582 3 588 585 4 594 591 3 597 591
       3 597 594 4 603 600 3 606 600 3
     606 603 4 612 609 3 615 609 3 615
     612 4 621 618 3 624 618 3 624 621
       4 630 627 3 633 627 3 633 630 4
     639 636 3 642 636 3 642 639 4 648
     645 3 651 645 3 651 648 4 657 654
       3 660 654 3 660 657 4 666 663 3
     669 663 3 669 666 4 675 672 3 678
     672 3 678 675 4 684 681 3 687 681
       3 687 684 4 693 690 3 696 690 3
     696 693 4 702 699 3 705 699 3 705
     702 4 711 708 3 714 708 3 714 711
       4 720 717 3 723 717 3 723 720 4
     729 726 3 732 726 3 732 729 4 738
     735 3 741 735 3 741 738 4 747 744
       3 750 744 3 750 747 4 756 753 3
     759 753 3 759 756 4 765 762 3 768
     762 3 768 765 4 774 771 3 777 771
       3 777 774 4 783 780 3 786 780 3
     786 783 4 792 789 3 795 789 3 795
     792 4 801 798 3 804 798 3 804 801
       4 810 807 3 813 807 3 813 810 4
     819 816 3 822 816 3 822 819 4 828
     825 3 831 825 3 831 828 4 837 834
       3 840 834 3 840 837 4 846 843 3
     849 843 3 849 846 4 855 852 3 858
     852 3 858 855 4 864 861 3 867 861
       3 867 864 4 873 870 3 876 870 3
     876 873 4 882 879 3 885 879 3 885
     882 4 891 888 3 894 888 3 894 891
       4 900 897 3 903 897 3 903 900 4
     909 906 3 912 906 3 912 909 4 918
     915 3 921 915 3 921 918 4 927 924
       3 930 924 3 930 927 4 936 933 3
     939 933 3 939 936 4 945 942 3 948
     942 3 948 945 4 954 951 3 957 951
       3 957 954 4 963 960 3 966 960 3
     966 963 4 972 969 3 975 969 3 975
     972 4 981 978 3 984 978 3 984 981
       4 990 987 3 993 987 3 993 990 4
     999 996 3 1002 996 3 1002 999 4 1008
    1005 3 1011 1005 3 1011 1008 4 1017 1014
       3 1020 1014 3 1020 1017 4 1026 1023 3
    1029 1023 3 1029 1026 4 1035 1032 3 1038
    1032 3 1038 1035 4 1044 1041 3 1047 1041
       3 1047 1044 4 1053 1050 3 1056 1050 3
    1056 1053 4 1062 1059 3 1065 1059 3 1065
    1062 4 1071 1068 3 1074 1068 3 1074 1071
       4 1080 1077 3 1083 1077 3 1083 1080 4
    1089 1086 3 1092 1086 3 1092 1089 4 1098
    1095 3 1101 1095 3 1101 1098 4 1107 1104
       3 1110 1104 3 1110 1107 4 1116 1113 3
    1119 1113 3 1119 1116 4 1125 1122 3 1128
    1122 3 1128 1125 4 1134 1131 3 1137 1131
       3 1137 1134 4 1143 1140 3 1146 1140 3
    1146 1143 4 1152 1149 3 1155 1149 3 1155
    1152 4 1161 1158 3 1164 1158 3 1164 1161
       4 1170 1167 3 1173 1167 3 1173 1170 4
    1179 1176 3 1182 1176 3 1182 1179 4 1188
    1185 3 1191 1185 3 1191 1188 4 1197 1194
       3 1200 1194 3 1200 1197 4 1206 1203 3
    1209 1203 3 1209 1206 4 1215 1212 3 1218
    1212 3 1218 1215 4 1224 1221 3 1227 1221
       3 1227 1224 4 1233 1230 3 1236 1230 3
    1236 1233 4 1242 1239 3 1245 1239 3 1245
    1242 4 1251 1248 3 1254 1248 3 1254 1251
       4 1260 1257 3 1263 1257 3 1263 1260 4
    1269 1266 3 1272 1266 3 1272 1269 4 1278
    1275 3 1281 1275 3 1281 1278 4 1287 1284
       3 1290 1284 3 1290 1287 4 1296 1293 3
    1299 1293 3 1299 1296 4 1305 1302 3 1308
    1302 3 1308 1305 4 1314 1311 3 1317 1311
       3 1317 1314 4 1323 1320 3 1326 1320 3
    1326 1323 4 1332 1329 3 1335 1329 3 1335
    1332 4 1341 1338 3 1344 1338 3 1344 1341
       4 1350 1347 3 1353 1347 3 1353 1350 4
    1359 1356 3 1362 1356 3 1362 1359 4 1368
    1365 3 1371 1365 3 1371 1368 4 1377 1374
       3 1380 1374 3 1380 1377 4 1386 1383 3
    1389 1383 3 1389 1386 4 1395 1392 3 1398
    1392 3 1398 1395 4 1404 1401 3 1407 1401
       3 1407 1404 4 1413 1410 3 1416 1410 3
    1416 1413 4 1422 1419 3 1425 1419 3 1425
    1422 4 1431 1428 3 1434 1428 3 1434 1431
       4 1440 1437 3 1443 1437 3 1443 1440 4
    1449 1446 3 1452 1446 3 1452 1449 4 1458
    1455 3 1461 1455 3 1461 1458 4 1467 1464
       3 1470 1464 3 1470 1467 4 1476 1473 3
    1479 1473 3 1479 1476 4 1485 1482 3 1488
    1482 3 1488 1485 4 1494 1491 3 1497 1491
       3 1497 1494 4 1503 1500 3 1506 1500 3
    1506 1503 4 1512 1509 3 1515 1509 3 1515
    1512 4 1521 1518 3 1524 1518 3 1524 1521
       4 1530 1527 3 1533 1527 3 1533 1530 4
    1539 1536 3 1542 1536 3 1542 1539 4 1548
    1545 3 1551 1545 3 1551 1548 4 1557 1554
       3 1560 1554 3 1560 1557 4 1566 1563 3
    1569 1563 3 1569 1566 4 1575 1572 3 1578
    1572 3 1578 1575 4 1584 1581 3 1587 1581
       3 1587 1584 4 1593 1590 3 1596 1590 3
    1596 1593 4 1602 1599 3 1605 1599 3 1605
    1602 4 1611 1608 3 1614 1608 3 1614 1611
       4 1620 1617 3 1623 1617 3 1623 1620 4
    1629 1626 3 1632 1626 3 1632 1629 4 1638
    1635 3 1641 1635 3 1641 1638 4 1647 1644
       3 1650 1644 3 1650 1647 4 1656 1653 3
    1659 1653 3 1659 1656 4 1665 1662 3 1668
    1662 3 1668 1665 4 1674 1671 3 1677 1671
       3 1677 1674 4 1683 1680 3 1686 1680 3
    1686 1683 4 1692 1689 3 1695 1689 3 1695
    1692 4 1701 1698 3 1704 1698 3 1704 1701
       4 1710 1707 3 1713 1707 3 1713 1710 4
    1719 1716 3 1722 1716 3 1722 1719 4 1728
    1725 3 1731 1725 3 1731 1728 4 1737 1734
       3 1740 1734 3 1740 1737 4 1746 1743 3
    1749 1743 3 1749 1746 4 1755 1752 3 1758
    1752 3 1758 1755 4 1764 1761 3 1767 1761
       3 1767 1764 4 1773 1770 3 1776 1770 3
    1776 1773 4 1782 1779 3 1785 1779 3 1785
    1782 4 1791 1788 3 1794 1788 3 1794 1791
       4 1800 1797 3 1803 1797 3 1803 1800 4
    1809 1806 3 1812 1806 3 1812 1809 4 1818
    1815 3 1821 1815 3 1821 1818 4 1827 1824
       3 1830 1824 3 1830 1827 4 1836 1833 3
    1839 1833 3 1839 1836 4 1845 1842 3 1848
    1842 3 1848 1845 4 1854 1851 3 1857 1851
       3 1857 1854 4 1863 1860 3 1866 1860 3
    1866 1863 4 1872 1869 3 1875 1869 3 1875
    1872 4 1881 1878 3 1884 1878 3 1884 1881
       4 1890 1887 3 1893 1887 3 1893 1890 4
    1899 1896 3 1902 1896 3 1902 1899 4 1908
    1905 3 1911 1905 3 1911 1908 4 1917 1914
       3 1920 1914 3 1920 1917 4 1926 1923 3
    1929 1923 3 1929 1926 4 1935 1932 3 1938
    1932 3 1938 1935 4 1944 1941 3 1947 1941
       3 1947 1944 4 1953 1950 3 1956 1950 3
    1956 1953 4 1962 1959 3 1965 1959 3 1965
    1962 4 1971 1968 3 1974 1968 3 1974 1971
       4 1980 1977 3 1983 1977 3 1983 1980 4
    1989 1986 3 1992 1986 3 1992 1989 4 1998
    1995 3 2001 1995 3 2001 1998 4 2007 2004
       3 2010 2004 3 2010 2007 4 2016 2013 3
    2019 2013 3 2019 2016 4 2025 2022 3 2028
    2022 3 2028 2025 4 2034 2031 3 2037 2031
       3 2037 2034 4 2043 2040 3 2046 2040 3
    2046 2043 4 2052 2049 3 2055 2049 3 2055
    2052 4 2061 2058 3 2064 2058 3 2064 2061
       4 2070 2067 3 2073 2067 3 2073 2070 4
    2079 2076 3 2082 2076 3 2082 2079 4 2088
    2085 3 2091 2085 3 2091 2088 4 2097 2094
       3 2100 2094 3 2100 2097 4 2106 2103 3
    2109 2103 3 2109 2106 4 2115 2112 3 2118
    2112 3 2118 2115 4 2124 2121 3 2127 2121
       3 2127 2124 4 2133 2130 3 2136 2130 3
    2136 2133 4 2142 2139 3 2145 2139 3 2145
    2142 4 2151 2148 3 2154 2148 3 2154 2151
       4 2160 2157 3 2163 2157 3 2163 2160 4
    2169 2166 3 2172 2166 3 2172 2169 4 2178
    2175 3 2181 2175 3 2181 2178 4 2187 2184
       3 2190 2184 3 2190 2187 4 2196 2193 3
    2199 2193 3 2199 2196 4 2205 2202 3 2208
    2202 3 2208 2205 4 2214 2211 3 2217 2211
       3 2217 2214 4 2223 2220 3 2226 2220 3
    2226 2223 4 2232 2229 3 2235 2229 3 2235
    2232 4 2241 2238 3 2244 2238 3 2244 2241
       4 2250 2247 3 2253 2247 3 2253 2250 4
    2259 2256 3 2262 2256 3 2262 2259 4 2268
    2265 3 2271 2265 3 2271 2268 4 2277 2274
       3 2280 2274 3 2280 2277 4 2286 2283 3
    2289 2283 3 2289 2286 4 2295 2292 3 2298
    2292 3 2298 2295 4 2304 2301 3 2307 2301
       3 2307 2304 4 2313 2310 3 2316 2310 3
    2316 2313 4 2322 2319 3 2325 2319 3 2325
    2322 4 2331 2328 3 2334 2328 3 2334 2331
       4 2340 2337 3 2343 2337 3 2343 2340 4
    2349 2346 3 2352 2346 3 2352 2349 4 2358
    2355 3 2361 2355 3 2361 2358 4 2367 2364
       3 2370 2364 3 2370 2367 4 2376 2373 3
    2379 2373 3 2379 2376 4 2385 2382 3 2388
    2382 3 2388 2385 4 2394 2391 3 2397 2391
       3 2397 2394 4 2403 2400 3 2406 2400 3
    2406 2403 4 2412 2409 3 2415 2409 3 2415
    2412 4 2421 2418 3 2424 2418 3 2424 2421
       4 2430 2427 3 2433 2427 3 2433 2430 4
    2439 2436 3 2442 2436 3 2442 2439 4 2448
    2445 3 2451 2445 3 2451 2448 4 2457 2454
       3 2460 2454 3 2460 2457 4 2466 2463 3
    2469 2463 3 2469 2466 4 2475 2472 3 2478
    2472 3 2478 2475 4 2484 2481 3 2487 2481
       3 2487 2484 4 2493 2490 3 2496 2490 3
    2496 2493 4 2502 2499 3 2505 2499 3 2505
    2502 4 2511 2508 3 2514 2508 3 2514 2511
       4 2520 2517 3 2523 2517 3 2523 2520 4
    2529 2526 3 2532 2526 3 2532 2529 4 2538
    2535 3 2541 2535 3 2541 2538 4 2547 2544
       3 2550 2544 3 2550 2547 4 2556 2553 3
    2559 2553 3 2559 2556 4 2565 2562 3 2568
    2562 3 2568 2565 4 2574 2571 3 2577 2571
       3 2577 2574 4 2583 2580 3 2586 2580 3
    2586 2583 4 2592 2589 3 2595 2589 3 2595
    2592 4 2601 2598 3 2604 2598 3 2604 2601
       4 2610 2607 3 2613 2607 3 2613 2610 4
    2619 2616 3 2622 2616 3 2622 2619 4 2628
    2625 3 2631 2625 3 2631 2628 4 2637 2634
       3 2640 2634 3 2640 2637 4 2646 2643 3
    2649 2643 3 2649 2646 4 2655 2652 3 2658
    2652 3 2658 2655 4 2664 2661 3 2667 2661
       3 2667 2664 4 2673 2670 3 2676 2670 3
    2676 2673 4 2682 2679 3 2685 2679 3 2685
    2682 4 2691 2688 3 2694 2688 3 2694 2691
       4 2700 2697 3 2703 2697 3 2703 2700 4
    2709 2706 3 2712 2706 3 2712 2709 4 2718
    2715 3 2721 2715 3 2721 2718 4 2727 2724
       3 2730 2724 3 2730 2727 4 2736 2733 3
    2739 2733 3 2739 2736 4 2745 2742 3 2748
    2742 3 2748 2745 4 2754 2751 3 2757 2751
       3 2757 2754 4 2763 2760 3 2766 2760 3
    2766 2763 4 2772 2769 3 2775 2769 3 2775
    2772 4 2781 2778 3 2784 2778 3 2784 2781
       4 2790 2787 3 2793 2787 3 2793 2790 4
    2799 2796 3 2802 2796 3 2802 2799 4 2808
    2805 3 2811 2805 3 2811 2808 4 2817 2814
       3 2820 2814 3 2820 2817 4 2826 2823 3
    2829 2823 3 2829 2826 4 2835 2832 3 2838
    2832 3 2838 2835 4 2844 2841 3 2847 2841
       3 2847 2844 4 2853 2850 3 2856 2850 3
    2856 2853 4 2862 2859 3 2865 2859 3 2865
    2862 4 2871 2868 3 2874 2868 3 2874 2871
       4 2880 2877 3 2883 2877 3 2883 2880 4
    2889 2886 3 2892 2886 3 2892 2889 4 2898
    2895 3 2901 2895 3 2901 2898 4 2907 2904
       3 2910 2904 3 2910 2907 4 2916 2913 3
    2919 2913 3 2919 2916 4 2925 2922 3 2928
    2922 3 2928 2925 4 2934 2931 3 2937 2931
       3 2937 2934 4 2943 2940 3 2946 2940 3
    2946 2943 4 2952 2949 3 2955 2949 3 2955
    2952 4 2961 2958 3 2964 2958 3 2964 2961
       4 2970 2967 3 2973 2967 3 2973 2970 4
    2979 2976 3 2982 2976 3 2982 2979 4 2988
    2985 3 2991 2985 3 2991 2988 4 2997 2994
       3 3000 2994 3 3000 2997 4 3006 3003 3
    3009 3003 3 3009 3006 4 3015 3012 3 3018
    3012 3 3018 3015 4 3024 3021 3 3027 3021
       3 3027 3024 4 3033 3030 3 3036 3030 3
    3036 3033 4 3042 3039 3 3045 3039 3 3045
    3042 4 3051 3048 3 3054 3048 3 3054 3051
       4 3060 3057 3 3063 3057 3 3063 3060 4
    3069 3066 3 3072 3066 3 3072 3069 4 3078
    3075 3 3081 3075 3 3081 3078 4 3087 3084
       3 3090 3084 3 3090 3087 4 3096 3093 3
    3099 3093 3 3099 3096 4 3105 3102 3 3108
    3102 3 3108 3105 4 3114 3111 3 3117 3111
       3 3117 3114 4 3123 3120 3 3126 3120 3
    3126 3123 4 3132 3129 3 3135 3129 3 3135
    3132 4 3141 3138 3 3144 3138 3 3144 3141
       4 3150 3147 3 3153 3147 3 3153 3150 4
    3159 3156 3 3162 3156 3 3162 3159 4 3168
    3165 3 3171 3165 3 3171 3168 4 3177 3174
       3 3180 3174 3 3180 3177 4 3186 3183 3
    3189 3183 3 3189 3186 4 3195 3192 3 3198
    3192 3 3198 3195 4 3204 3201 3 3207 3201
       3 3207 3204 4 3213 3210 3 3216 3210 3
    3216 3213 4 3222 3219 3 3225 3219 3 3225
    3222 4 3231 3228 3 3234 3228 3 3234 3231
       4 3240 3237 3 3243 3237 3 3243 3240 4
    3249 3246 3 3252 3246 3 3252 3249 4 3258
    3255 3 3261 3255 3 3261 3258 4 3267 3264
       3 3270 3264 3 3270 3267 4 3276 3273 3
    3279 3273 3 3279 3276 4 3285 3282 3 3288
    3282 3 3288 3285 4 3294 3291 3 3297 3291
       3 3297 3294 4 3303 3300 3 3306 3300 3
    3306 3303 4 3312 3309 3 3315 3309 3 3315
    3312 4 3321 3318 3 3324 3318 3 3324 3321
       4 3330 3327 3 3333 3327 3 3333 3330 4
    3339 3336 3 3342 3336 3 3342 3339 4 3348
    3345 3 3351 3345 3 3351 3348 4 3357 3354
       3 3360 3354 3 3360 3357 4 3366 3363 3
    3369 3363 3 3369 3366 4 3375 3372 3 3378
    3372 3 3378 3375 4 3384 3381 3 3387 3381
       3 3387 3384 4 3393 3390 3 3396 3390 3
    3396 3393 4 3402 3399 3 3405 3399 3 3405
    3402 4 3411 3408 3 3414 3408 3 3414 3411
       4 3420 3417 3 3423 3417 3 3423 3420 4
    3429 3426 3 3432 3426 3 3432 3429 4 3438
    3435 3 3441 3435 3 3441 3438 4 3447 3444
       3 3450 3444 3 3450 3447 4 3456 3453 3
    3459 3453 3 3459 3456 4 3465 3462 3 3468
    3462 3 3468 3465 4 3474 3471 3 3477 3471
       3 3477 3474 4 3483 3480 3 3486 3480 3
    3486 3483 4 3492 3489 3 3495 3489 3 3495
    3492 4 3501 3498 3 3504 3498 3 3504 3501
       4 3510 3507 3 3513 3507 3 3513 3510 4
    3519 3516 3 3522 3516 3 3522 3519 4 3528
    3525 3 3531 3525 3 3531 3528 4 3537 3534
       3 3540 3534 3 3540 3537 4 3546 3543 3
    3549 3543 3 3549 3546 4 3555 3552 3 3558
    3552 3 3558 3555 4 3564 3561 3 3567 3561
       3 3567 3564 4 3573 3570 3 3576 3570 3
    3576 3573 4 3582 3579 3 3585 3579 3 3585
    3582 4 3591 3588 3 3594 3588 3 3594 3591
       4 3600 3597 3 3603 3597 3 3603 3600 4
    3609 3606 3 3612 3606 3 3612 3609 4 3618
    3615 3 3621 3615 3 3621 3618 4 3627 3624
       3 3630 3624 3 3630 3627 4 3636 3633 3
    3639 3633 3 3639 3636 4 3645 3642 3 3648
    3642 3 3648 3645 4 3654 3651 3 3657 3651
       3 3657 3654 4 3663 3660 3 3666 3660 3
    3666 3663 4 3672 3669 3 3675 3669 3 3675
    3672 4 3681 3678 3 3684 3678 3 3684 3681
       4 3690 3687 3 3693 3687 3 3693 3690 4
    3699 3696 3 3702 3696 3 3702 3699 4 3708
    3705 3 3711 3705 3 3711 3708 4 3717 3714
       3 3720 3714 3 3720 3717 4 3726 3723 3
    3729 3723 3 3729 3726 4 3735 3732 3 3738
    3732 3 3738 3735 4 3744 3741 3 3747 3741
       3 3747 3744 4 3753 3750 3 3756 3750 3
    3756 3753 4 3762 3759 3 3765 3759 3 3765
    3762 4 3771 3768 3 3774 3768 3 3774 3771
       4 3780 3777 3 3783 3777 3 3783 3780 4
    3789 3786 3 3792 3786 3 3792 3789 4 3798
    3795 3 3801 3795 3 3801 3798 4 3807 3804
       3 3810 3804 3 3810 3807 4 3816 3813 3
    3819 3813 3 3819 3816 4 3825 3822 3 3828
    3822 3 3828 3825 4 3834 3831 3 3837 3831
       3 3837 3834 4 3843 3840 3 3846 3840 3
    3846 3843 4 3852 3849 3 3855 3849 3 3855
    3852 4 3861 3858 3 3864 3858 3 3864 3861
       4 3870 3867 3 3873 3867 3 3873 3870 4
    3879 3876 3 3882 3876 3 3882 3879 4 3888
    3885 3 3891 3885 3 3891 3888 4 3897 3894
       3 3900 3894 3 3900 3897 4 3906 3903 3
    3909 3903 3 3909 3906 4 3915 3912 3 3918
    3912 3 3918 3915 4 3924 3921 3 3927 3921
       3 3927 3924 4 3933 3930 3 3936 3930 3
    3936 3933 4 3942 3939 3 3945 3939 3 3945
    3942 4 3951 3948 3 3954 3948 3 3954 3951
       4 3960 3957 3 3963 3957 3 3963 3960 4
    3969 3966 3 3972 3966 3 3972 3969 4 3978
    3975 3 3981 3975 3 3981 3978 4 3987 3984
       3 3990 3984 3 3990 3987 4 3996 3993 3
    3999 3993 3 3999 3996 4 4005 4002 3 4008
    4002 3 4008 4005 4 4014 4011 3 4017 4011
       3 4017 4014 4 4023 4020 3 4026 4020 3
    4026 4023 4 4032 4029 3 4035 4029 3 4035
    4032 4 4041 4038 3 4044 4038 3 4044 4041
       4 4050 4047 3 4053 4047 3 4053 4050 4
    4059 4056 3 4062 4056 3 4062 4059 4 4068
    4065 3 4071 4065 3 4071 4068 4 4077 4074
       3 4080 4074 3 4080 4077 4 4086 4083 3
    4089 4083 3 4089 4086 4 4095 4092 3 4098
    4092 3 4098 4095 4 4104 4101 3 4107 4101
       3 4107 4104 4 4113 4110 3 4116 4110 3
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    4122 4 4131 4128 3 4134 4128 3 4134 4131
       4 4140 4137 3 4143 4137 3 4143 4140 4
    4149 4146 3 4152 4146 3 4152 4149 4 4158
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       3 4170 4164 3 4170 4167 4 4176 4173 3
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    4182 3 4188 4185 4 4194 4191 3 4197 4191
       3 4197 4194 4 4203 4200 3 4206 4200 3
    4206 4203 4 4212 4209 3 4215 4209 3 4215
    4212 4 4221 4218 3 4224 4218 3 4224 4221
       4 4230 4227 3 4233 4227 3 4233 4230 4
    4239 4236 3 4242 4236 3 4242 4239 4 4248
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       3 4260 4254 3 4260 4257 4 4266 4263 3
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       3 4287 4284 4 4293 4290 3 4296 4290 3
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    4302 4 4311 4308 3 4314 4308 3 4314 4311
       4 4320 4317 3 4323 4317 3 4323 4320 4
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       3 4350 4344 3 4350 4347 4 4356 4353 3
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       3 4377 4374 4 4383 4380 3 4386 4380 3
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       4 4410 4407 3 4413 4407 3 4413 4410 4
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    4425 3 4431 4425 3 4431 4428 4 4437 4434
       3 4440 4434 3 4440 4437 4 4446 4443 3
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    4452 3 4458 4455 4 4464 4461 3 4467 4461
       3 4467 4464 4 4473 4470 3 4476 4470 3
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    4482 4 4491 4488 3 4494 4488 3 4494 4491
       4 4500 4497 3 4503 4497 3 4503 4500 4
    4509 4506 3 4512 4506 3 4512 4509 4 4518
    4515 3 4521 4515 3 4521 4518 4 4527 4524
       3 4530 4524 3 4530 4527 4 4536 4533 3
    4539 4533 3 4539 4536 4 4545 4542 3 4548
    4542 3 4548 4545 4 4554 4551 3 4557 4551
       3 4557 4554 4 4563 4560 3 4566 4560 3
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    4572 4 4581 4578 3 4584 4578 3 4584 4581
       4 4590 4587 3 4593 4587 3 4593 4590 4
    4599 4596 3 4602 4596 3 4602 4599 4 4608
    4605 3 4611 4605 3 4611 4608 4 4617 4614
       3 4620 4614 3 4620 4617 4 4626 4623 3
    4629 4623 3 4629 4626 4 4635 4632 3 4638
    4632 3 4638 4635 4 4644 4641 3 4647 4641
       3 4647 4644 4 4653 4650 3 4656 4650 3
    4656 4653 4 4662 4659 3 4665 4659 3 4665
    4662 4 4671 4668 3 4674 4668 3 4674 4671
       4 4680 4677 3 4683 4677 3 4683 4680 4
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    4695 3 4701 4695 3 4701 4698 4 4707 4704
       3 4710 4704 3 4710 4707 4 4716 4713 3
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       3 4737 4734 4 4743 4740 3 4746 4740 3
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       4 4770 4767 3 4773 4767 3 4773 4770 4
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       3 4800 4794 3 4800 4797 4 4806 4803 3
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       3 4827 4824 4 4833 4830 3 4836 4830 3
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       4 4860 4857 3 4863 4857 3 4863 4860 4
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       3 4890 4884 3 4890 4887 4 4896 4893 3
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       3 4917 4914 4 4923 4920 3 4926 4920 3
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    4932 4 4941 4938 3 4944 4938 3 4944 4941
       4 4950 4947 3 4953 4947 3 4953 4950 4
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       3 4980 4974 3 4980 4977 4 4986 4983 3
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       3 5007 5004 4 5013 5010 3 5016 5010 3
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    5022 4 5031 5028 3 5034 5028 3 5034 5031
       4 5040 5037 3 5043 5037 3 5043 5040 4
    5049 5046 3 5052 5046 3 5052 5049 4 5058
    5055 3 5061 5055 3 5061 5058 4 5067 5064
       3 5070 5064 3 5070 5067 4 5076 5073 3
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       3 5097 5094 4 5103 5100 3 5106 5100 3
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       4 5130 5127 3 5133 5127 3 5133 5130 4
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       3 5187 5184 4 5193 5190 3 5196 5190 3
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    5202 4 5211 5208 3 5214 5208 3 5214 5211
       4 5220 5217 3 5223 5217 3 5223 5220 4
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       3 5250 5244 3 5250 5247 4 5256 5253 3
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       4 5310 5307 3 5313 5307 3 5313 5310 4
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       3 5340 5334 3 5340 5337 4 5346 5343 3
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       3 5367 5364 4 5373 5370 3 5376 5370 3
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       4 5850 5847 3 5853 5847 3 5853 5850 4
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       3 5907 5904 4 5913 5910 3 5916 5910 3
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    5922 4 5931 5928 3 5934 5928 3 5934 5931
       4 5940 5937 3 5943 5937 3 5943 5940 4
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       3 5970 5964 3 5970 5967 4 5976 5973 3
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       3 5997 5994 4 6003 6000 3 6006 6000 3
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       4 6030 6027 3 6033 6027 3 6033 6030 4
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       3 6087 6084 4 6093 6090 3 6096 6090 3
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       4 6120 6117 3 6123 6117 3 6123 6120 4
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%FORMAT(10I8)
       0 12 2
%FLAG ANGLES_INC_HYDROGEN
%FORMAT(10I8)
       3 0 6 1 3 0 9 1 3 0
      12 2 6 0 9 1 6 0 12 2
       9 0 12 2
%FLAG ANGLES_WITHOUT_HYDROGEN
%FORMAT(10I8)

%FLAG DIHEDRALS_INC_HYDROGEN
%FORMAT(10I8)

%FLAG DIHEDRALS_WITHOUT_HYDROGEN
%FORMAT(10I8)

%FLAG EXCLUDED_ATOMS_LIST
%FORMAT(10I8)
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      14 14 0 16 17 17 0 19 20 20
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     554 554 0 556 557 557 0 559 560 560
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       0 592 593 593 0 595 596 596 0 598
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       0 637 638 638 0 640 641 641 0 643
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       0 682 683 683 0 685 686 686 0 688
     689 689 0 691 692 692 0 694 695 695
       0 697 698 698 0 700 701 701 0 703
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       0 727 728 728 0 730 731 731 0 733
     734 734 0 736 737 737 0 739 740 740
       0 742 743 743 0 745 746 746 0 748
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       0 757 758 758 0 760 761 761 0 763
     764 764 0 766 767 767 0 769 770 770
       0 772 773 773 0 775 776 776 0 778
     779 779 0 781 782 782 0 784 785 785
       0 787 788 788 0 790 791 791 0 793
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       0 817 818 818 0 820 821 821 0 823
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       0 832 833 833 0 835 836 836 0 838
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     854 854 0 856 857 857 0 859 860 860
       0 862 863 863 0 865 866 866 0 868
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       0 877 878 878 0 880 881 881 0 883
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       0 892 893 893 0 895 896 896 0 898
     899 899 0 901 902 902 0 904 905 905
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     929 929 0 931 932 932 0 934 935 935
       0 937 938 938 0 940 941 941 0 943
     944 944 0 946 947 947 0 949 950 950
       0 952 953 953 0 955 956 956 0 958
     959 959 0 961 962 962 0 964 965 965
       0 967 968 968 0 970 971 971 0 973
     974 974 0 976 977 977 0 979 980 980
       0 982 983 983 0 985 986 986 0 988
     989 989 0 991 992 992 0 994 995 995
       0 997 998 998 0 1000 1001 1001 0 1003
    1004 1004 0 1006 1007 1007 0 1009 1010 1010
       0 1012 1013 1013 0 1015 1016 1016 0 1018
    1019 1019 0 1021 1022 1022 0 1024 1025 1025
       0 1027 1028 1028 0 1030 1031 1031 0 1033
    1034 1034 0 1036 1037 1037 0 1039 1040 1040
       0 1042 1043 1043 0 1045 1046 1046 0 1048
    1049 1049 0 1051 1052 1052 0 1054 1055 1055
       0 1057 1058 1058 0 1060 1061 1061 0 1063
    1064 1064 0 1066 1067 1067 0 1069 1070 1070
       0 1072 1073 1073 0 1075 1076 1076 0 1078
    1079 1079 0 1081 1082 1082 0 1084 1085 1085
       0 1087 1088 1088 0 1090 1091 1091 0 1093
    1094 1094 0 1096 1097 1097 0 1099 1100 1100
       0 1102 1103 1103 0 1105 1106 1106 0 1108
    1109 1109 0 1111 1112 1112 0 1114 1115 1115
       0 1117 1118 1118 0 1120 1121 1121 0 1123
    1124 1124 0 1126 1127 1127 0 1129 1130 1130
       0 1132 1133 1133 0 1135 1136 1136 0 1138
    1139 1139 0 1141 1142 1142 0 1144 1145 1145
       0 1147 1148 1148 0 1150 1151 1151 0 1153
    1154 1154 0 1156 1157 1157 0 1159 1160 1160
       0 1162 1163 1163 0 1165 1166 1166 0 1168
    1169 1169 0 1171 1172 1172 0 1174 1175 1175
       0 1177 1178 1178 0 1180 1181 1181 0 1183
    1184 1184 0 1186 1187 1187 0 1189 1190 1190
       0 1192 1193 1193 0 1195 1196 1196 0 1198
    1199 1199 0 1201 1202 1202 0 1204 1205 1205
       0 1207 1208 1208 0 1210 1211 1211 0 1213
    1214 1214 0 1216 1217 1217 0 1219 1220 1220
       0 1222 1223 1223 0 1225 1226 1226 0 1228
    1229 1229 0 1231 1232 1232 0 1234 1235 1235
       0 1237 1238 1238 0 1240 1241 1241 0 1243
    1244 1244 0 1246 1247 1247 0 1249 1250 1250
       0 1252 1253 1253 0 1255 1256 1256 0 1258
    1259 1259 0 1261 1262 1262 0 1264 1265 1265
       0 1267 1268 1268 0 1270 1271 1271 0 1273
    1274 1274 0 1276 1277 1277 0 1279 1280 1280
       0 1282 1283 1283 0 1285 1286 1286 0 1288
    1289 1289 0 1291 1292 1292 0 1294 1295 1295
       0 1297 1298 1298 0 1300 1301 1301 0 1303
    1304 1304 0 1306 1307 1307 0 1309 1310 1310
       0 1312 1313 1313 0 1315 1316 1316 0 1318
    1319 1319 0 1321 1322 1322 0 1324 1325 1325
       0 1327 1328 1328 0 1330 1331 1331 0 1333
    1334 1334 0 1336 1337 1337 0 1339 1340 1340
       0 1342 1343 1343 0 1345 1346 1346 0 1348
    1349 1349 0 1351 1352 1352 0 1354 1355 1355
       0 1357 1358 1358 0 1360 1361 1361 0 1363
    1364 1364 0 1366 1367 1367 0 1369 1370 1370
       0 1372 1373 1373 0 1375 1376 1376 0 1378
    1379 1379 0 1381 1382 1382 0 1384 1385 1385
       0 1387 1388 1388 0 1390 1391 1391 0 1393
    1394 1394 0 1396 1397 1397 0 1399 1400 1400
       0 1402 1403 1403 0 1405 1406 1406 0 1408
    1409 1409 0 1411 1412 1412 0 1414 1415 1415
       0 1417 1418 1418 0 1420 1421 1421 0 1423
    1424 1424 0 1426 1427 1427 0 1429 1430 1430
       0 1432 1433 1433 0 1435 1436 1436 0 1438
    1439 1439 0 1441 1442 1442 0 1444 1445 1445
       0 1447 1448 1448 0 1450 1451 1451 0 1453
    1454 1454 0 1456 1457 1457 0 1459 1460 1460
       0 1462 1463 1463 0 1465 1466 1466 0 1468
    1469 1469 0 1471 1472 1472 0 1474 1475 1475
       0 1477 1478 1478 0 1480 1481 1481 0 1483
    1484 1484 0 1486 1487 1487 0 1489 1490 1490
       0 1492 1493 1493 0 1495 1496 1496 0 1498
    1499 1499 0 1501 1502 1502 0 1504 1505 1505
       0 1507 1508 1508 0 1510 1511 1511 0 1513
    1514 1514 0 1516 1517 1517 0 1519 1520 1520
       0 1522 1523 1523 0 1525 1526 1526 0 1528
    1529 1529 0 1531 1532 1532 0 1534 1535 1535
       0 1537 1538 1538 0 1540 1541 1541 0 1543
    1544 1544 0 1546 1547 1547 0 1549 1550 1550
       0 1552 1553 1553 0 1555 1556 1556 0 1558
    1559 1559 0 1561 1562 1562 0 1564 1565 1565
       0 1567 1568 1568 0 1570 1571 1571 0 1573
    1574 1574 0 1576 1577 1577 0 1579 1580 1580
       0 1582 1583 1583 0 1585 1586 1586 0 1588
    1589 1589 0 1591 1592 1592 0 1594 1595 1595
       0 1597 1598 1598 0 1600 1601 1601 0 1603
    1604 1604 0 1606 1607 1607 0 1609 1610 1610
       0 1612 1613 1613 0 1615 1616 1616 0 1618
    1619 1619 0 1621 1622 1622 0 1624 1625 1625
       0 1627 1628 1628 0 1630 1631 1631 0 1633
    1634 1634 0 1636 1637 1637 0 1639 1640 1640
       0 1642 1643 1643 0 1645 1646 1646 0 1648
    1649 1649 0 1651 1652 1652 0 1654 1655 1655
       0 1657 1658 1658 0 1660 1661 1661 0 1663
    1664 1664 0 1666 1667 1667 0 1669 1670 1670
       0 1672 1673 1673 0 1675 1676 1676 0 1678
    1679 1679 0 1681 1682 1682 0 1684 1685 1685
       0 1687 1688 1688 0 1690 1691 1691 0 1693
    1694 1694 0 1696 1697 1697 0 1699 1700 1700
       0 1702 1703 1703 0 1705 1706 1706 0 1708
    1709 1709 0 1711 1712 1712 0 1714 1715 1715
       0 1717 1718 1718 0 1720 1721 1721 0 1723
    1724 1724 0 1726 1727 1727 0 1729 1730 1730
       0 1732 1733 1733 0 1735 1736 1736 0 1738
    1739 1739 0 1741 1742 1742 0 1744 1745 1745
       0 1747 1748 1748 0 1750 1751 1751 0 1753
    1754 1754 0 1756 1757 1757 0 1759 1760 1760
       0 1762 1763 1763 0 1765 1766 1766 0 1768
    1769 1769 0 1771 1772 1772 0 1774 1775 1775
       0 1777 1778 1778 0 1780 1781 1781 0 1783
    1784 1784 0 1786 1787 1787 0 1789 1790 1790
       0 1792 1793 1793 0 1795 1796 1796 0 1798
    1799 1799 0 1801 1802 1802 0 1804 1805 1805
       0 1807 1808 1808 0 1810 1811 1811 0 1813
    1814 1814 0 1816 1817 1817 0 1819 1820 1820
       0 1822 1823 1823 0 1825 1826 1826 0 1828
    1829 1829 0 1831 1832 1832 0 1834 1835 1835
       0 1837 1838 1838 0 1840 1841 1841 0 1843
    1844 1844 0 1846 1847 1847 0 1849 1850 1850
       0 1852 1853 1853 0 1855 1856 1856 0 1858
    1859 1859 0 1861 1862 1862 0 1864 1865 1865
       0 1867 1868 1868 0 1870 1871 1871 0 1873
    1874 1874 0 1876 1877 1877 0 1879 1880 1880
       0 1882 1883 1883 0 1885 1886 1886 0 1888
    1889 1889 0 1891 1892 1892 0 1894 1895 1895
       0 1897 1898 1898 0 1900 1901 1901 0 1903
    1904 1904 0 1906 1907 1907 0 1909 1910 1910
       0 1912 1913 1913 0 1915 1916 1916 0 1918
    1919 1919 0 1921 1922 1922 0 1924 1925 1925
       0 1927 1928 1928 0 1930 1931 1931 0 1933
    1934 1934 0 1936 1937 1937 0 1939 1940 1940
       0 1942 1943 1943 0 1945 1946 1946 0 1948
    1949 1949 0 1951 1952 1952 0 1954 1955 1955
       0 1957 1958 1958 0 1960 1961 1961 0 1963
    1964 1964 0 1966 1967 1967 0 1969 1970 1970
       0 1972 1973 1973 0 1975 1976 1976 0 1978
    1979 1979 0 1981 1982 1982 0 1984 1985 1985
       0 1987 1988 1988 0 1990 1991 1991 0 1993
    1994 1994 0 1996 1997 1997 0 1999 2000 2000
       0 2002 2003 2003 0 2005 2006 2006 0 2008
    2009 2009 0 2011 2012 2012 0 2014 2015 2015
       0 2017 2018 2018 0 2020 2021 2021 0 2023
    2024 2024 0 2026 2027 2027 0 2029 2030 2030
       0 2032 2033 2033 0 2035 2036 2036 0 2038
    2039 2039 0 2041 2042 2042 0
%FLAG HBOND_ACOEF
%FORMAT(5E16.8)
  0.00000000E+00
%FLAG HBOND_BCOEF
%FORMAT(5E16.8)
  0.00000000E+00
%FLAG HBCUT
%FORMAT(5E16.8)
  0.00000000E+00
%FLAG AMBER_ATOM_TYPE
%FORMAT(20a4)
c3 h1 h1 h1 cl OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW
%FLAG TREE_CHAIN_CLASSIFICATION
%FORMAT(20a4)
M E E E M BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA
%FLAG JOIN_ARRAY
%FORMAT(10I8)
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       0 0 0 0 0 0 0 0 0 0
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       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
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       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0
%FLAG IROTAT
%FORMAT(10I8)
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
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%FLAG SOLVENT_POINTERS
%FORMAT(3I8)
       1 680 2
%FLAG ATOMS_PER_MOLECULE
%FORMAT(10I8)
       5 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
%FLAG BOX_DIMENSIONS
%FORMAT(5E16.8)
  1.09471219E+02 3.18519697E+01 3.18519697E+01 3.18519697E+01
%FLAG RADII
%FORMAT(5E16.8)
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